Closed farz1995 closed 2 months ago
https://github.com/kiharalab/DOVE#download-code I think you did not follow the instructions here to configure the goap running script correctly?
I have followed the structure line by line, extracted the file, and added best model and goap to my directory. but still I have problem
This function did not execute properly: https://github.com/kiharalab/DOVE/blob/703db3ca8b95c5f62153916e3f10d0270876dd4f/Input_Preparing/Prepare_Input_Single.py#L28. Please check here https://github.com/kiharalab/DOVE/blob/master/Input_Preparing/Gen_Goap.py to see which files you are missing.
thanks for your answer. my Dove score for pdb files is not satisfying. could you please explain more about incorrect data?
this is a sample of my data:
ATOM 1 N ASP A 3 7.075 -13.111 -19.732 1.00 87.55 N
ATOM 2 CA ASP A 3 5.651 -13.412 -19.846 1.00 87.55 C
ATOM 3 C ASP A 3 5.076 -13.860 -18.504 1.00 87.55 C
ATOM 4 CB ASP A 3 5.413 -14.489 -20.906 1.00 87.55 C
ATOM 5 O ASP A 3 3.966 -13.468 -18.137 1.00 87.55 O
ATOM 6 CG ASP A 3 3.943 -14.684 -21.234 1.00 87.55 C
ATOM 7 OD1 ASP A 3 3.435 -15.819 -21.104 1.00 87.55 O
ATOM 8 OD2 ASP A 3 3.288 -13.695 -21.628 1.00 87.55 O
ATOM 9 N LEU A 4 5.938 -14.473 -17.712 1.00 94.75 N
ATOM 10 CA LEU A 4 5.460 -14.950 -16.418 1.00 94.75 C
ATOM 11 C LEU A 4 5.268 -13.789 -15.448 1.00 94.75 C
ATOM 12 CB LEU A 4 6.438 -15.968 -15.827 1.00 94.75 C
ATOM 13 O LEU A 4 4.344 -13.802 -14.632 1.00 94.75 O
ATOM 14 CG LEU A 4 6.571 -17.295 -16.576 1.00 94.75 C
ATOM 15 CD1 LEU A 4 7.556 -18.212 -15.859 1.00 94.75 C
ATOM 16 CD2 LEU A 4 5.210 -17.969 -16.716 1.00 94.75 C
ATOM 17 N GLY A 5 6.100 -12.838 -15.627 1.00 93.64 N
ATOM 18 CA GLY A 5 5.961 -11.658 -14.788 1.00 93.64 C
ATOM 19 C GLY A 5 4.668 -10.903 -15.031 1.00 93.64 C
ATOM 20 O GLY A 5 4.002 -10.481 -14.083 1.00 93.64 O
ATOM 21 N LYS A 6 4.440 -10.835 -16.287 1.00 90.85 N
ATOM 22 CA LYS A 6 3.195 -10.152 -16.627 1.00 90.85 C
ATOM 23 C LYS A 6 1.985 -10.926 -16.113 1.00 90.85 C
ATOM 24 CB LYS A 6 3.086 -9.954 -18.140 1.00 90.85 C
ATOM 25 O LYS A 6 1.040 -10.334 -15.587 1.00 90.85 O
ATOM 26 CG LYS A 6 1.867 -9.153 -18.573 1.00 90.85 C
ATOM 27 CD LYS A 6 1.830 -8.967 -20.085 1.00 90.85 C
ATOM 28 CE LYS A 6 0.557 -8.260 -20.530 1.00 90.85 C
ATOM 29 NZ LYS A 6 0.458 -8.183 -22.019 1.00 90.85 N
ATOM 30 N LYS A 7 2.017 -12.150 -16.259 1.00 94.71 N
ATOM 31 CA LYS A 7 0.928 -12.988 -15.765 1.00 94.71 C
ATOM 32 C LYS A 7 0.824 -12.915 -14.245 1.00 94.71 C
ATOM 33 CB LYS A 7 1.124 -14.438 -16.209 1.00 94.71 C
ATOM 34 O LYS A 7 -0.276 -12.954 -13.690 1.00 94.71 O
ATOM 35 CG LYS A 7 0.908 -14.665 -17.698 1.00 94.71 C
ATOM 36 CD LYS A 7 1.036 -16.138 -18.063 1.00 94.71 C
ATOM 37 CE LYS A 7 0.795 -16.370 -19.549 1.00 94.71 C
ATOM 38 NZ LYS A 7 0.887 -17.817 -19.906 1.00 94.71 N
ATOM 39 N LEU A 8 1.916 -12.800 -13.601 1.00 96.82 N
ATOM 40 CA LEU A 8 1.914 -12.691 -12.146 1.00 96.82 C
ATOM 41 C LEU A 8 1.269 -11.383 -11.700 1.00 96.82 C
ATOM 42 CB LEU A 8 3.341 -12.782 -11.600 1.00 96.82 C
ATOM 43 O LEU A 8 0.487 -11.365 -10.746 1.00 96.82 O
ATOM 44 CG LEU A 8 3.489 -12.737 -10.078 1.00 96.82 C
ATOM 45 CD1 LEU A 8 2.694 -13.869 -9.435 1.00 96.82 C
ATOM 46 CD2 LEU A 8 4.959 -12.817 -9.681 1.00 96.82 C
ATOM 47 N LEU A 9 1.593 -10.361 -12.384 1.00 94.37 N
ATOM 48 CA LEU A 9 0.955 -9.083 -12.088 1.00 94.37 C
ATOM 49 C LEU A 9 -0.559 -9.181 -12.247 1.00 94.37 C
ATOM 50 CB LEU A 9 1.506 -7.984 -13.001 1.00 94.37 C
ATOM 51 O LEU A 9 -1.309 -8.754 -11.367 1.00 94.37 O
ATOM 52 CG LEU A 9 2.968 -7.592 -12.784 1.00 94.37 C
ATOM 53 CD1 LEU A 9 3.486 -6.796 -13.977 1.00 94.37 C
ATOM 54 CD2 LEU A 9 3.122 -6.794 -11.494 1.00 94.37 C
ATOM 55 N GLU A 10 -0.981 -9.812 -13.271 1.00 92.34 N
ATOM 56 CA GLU A 10 -2.408 -9.956 -13.542 1.00 92.34 C
ATOM 57 C GLU A 10 -3.087 -10.817 -12.480 1.00 92.34 C
ATOM 58 CB GLU A 10 -2.635 -10.558 -14.931 1.00 92.34 C
ATOM 59 O GLU A 10 -4.166 -10.474 -11.992 1.00 92.34 O
ATOM 60 CG GLU A 10 -2.259 -9.626 -16.074 1.00 92.34 C
ATOM 61 CD GLU A 10 -2.265 -10.309 -17.432 1.00 92.34 C
ATOM 62 OE1 GLU A 10 -1.976 -9.639 -18.450 1.00 92.34 O
ATOM 63 OE2 GLU A 10 -2.562 -11.524 -17.479 1.00 92.34 O
ATOM 64 N ALA A 11 -2.507 -11.888 -12.135 1.00 94.70 N
ATOM 65 CA ALA A 11 -3.062 -12.787 -11.127 1.00 94.70 C
ATOM 66 C ALA A 11 -3.155 -12.097 -9.769 1.00 94.70 C
ATOM 67 CB ALA A 11 -2.216 -14.054 -11.019 1.00 94.70 C
ATOM 68 O ALA A 11 -4.094 -12.337 -9.007 1.00 94.70 O
ATOM 69 N ALA A 12 -2.176 -11.238 -9.453 1.00 95.10 N
ATOM 70 CA ALA A 12 -2.181 -10.504 -8.191 1.00 95.10 C
ATOM 71 C ALA A 12 -3.330 -9.500 -8.144 1.00 95.10 C
ATOM 72 CB ALA A 12 -0.847 -9.790 -7.985 1.00 95.10 C
ATOM 73 O ALA A 12 -3.957 -9.314 -7.099 1.00 95.10 O
ATOM 74 N VAL A 13 -3.586 -8.959 -9.228 1.00 91.67 N
ATOM 75 CA VAL A 13 -4.683 -8.000 -9.310 1.00 91.67 C
ATOM 76 C VAL A 13 -6.017 -8.726 -9.149 1.00 91.67 C
ATOM 77 CB VAL A 13 -4.658 -7.221 -10.644 1.00 91.67 C
ATOM 78 O VAL A 13 -6.900 -8.262 -8.424 1.00 91.67 O
ATOM 79 CG1 VAL A 13 -5.949 -6.427 -10.831 1.00 91.67 C
ATOM 80 CG2 VAL A 13 -3.445 -6.294 -10.697 1.00 91.67 C
ATOM 81 N ASP A 14 -6.121 -9.877 -9.711 1.00 91.37 N
ATOM 82 CA ASP A 14 -7.403 -10.569 -9.804 1.00 91.37 C
ATOM 83 C ASP A 14 -7.652 -11.433 -8.570 1.00 91.37 C
ATOM 84 CB ASP A 14 -7.459 -11.429 -11.069 1.00 91.37 C
ATOM 85 O ASP A 14 -8.745 -11.975 -8.395 1.00 91.37 O
ATOM 86 CG ASP A 14 -7.538 -10.606 -12.343 1.00 91.37 C
ATOM 87 OD1 ASP A 14 -7.873 -9.404 -12.272 1.00 91.37 O
ATOM 88 OD2 ASP A 14 -7.267 -11.166 -13.427 1.00 91.37 O
ATOM 89 N GLY A 15 -6.755 -11.482 -7.758 1.00 95.41 N
ATOM 90 CA GLY A 15 -6.910 -12.275 -6.549 1.00 95.41 C
ATOM 91 C GLY A 15 -6.917 -13.769 -6.813 1.00 95.41 C
ATOM 92 O GLY A 15 -7.656 -14.515 -6.168 1.00 95.41 O
ATOM 93 N GLN A 16 -6.104 -14.178 -7.822 1.00 97.47 N
ATOM 94 CA GLN A 16 -6.034 -15.594 -8.169 1.00 97.47 C
ATOM 95 C GLN A 16 -4.888 -16.284 -7.434 1.00 97.47 C
ATOM 96 CB GLN A 16 -5.870 -15.770 -9.679 1.00 97.47 C
ATOM 97 O GLN A 16 -3.825 -16.520 -8.012 1.00 97.47 O
ATOM 98 CG GLN A 16 -7.016 -15.187 -10.494 1.00 97.47 C
ATOM 99 CD GLN A 16 -6.831 -15.376 -11.988 1.00 97.47 C
ATOM 100 NE2 GLN A 16 -7.931 -15.336 -12.732 1.00 97.47 N
ATOM 101 OE1 GLN A 16 -5.708 -15.557 -12.469 1.00 97.47 O
ATOM 102 N ASP A 17 -5.163 -16.730 -6.227 1.00 97.90 N
ATOM 103 CA ASP A 17 -4.149 -17.270 -5.327 1.00 97.90 C
ATOM 104 C ASP A 17 -3.478 -18.502 -5.932 1.00 97.90 C
ATOM 105 CB ASP A 17 -4.766 -17.621 -3.972 1.00 97.90 C
ATOM 106 O ASP A 17 -2.250 -18.606 -5.936 1.00 97.90 O
ATOM 107 CG ASP A 17 -5.447 -16.437 -3.307 1.00 97.90 C
ATOM 108 OD1 ASP A 17 -5.137 -15.278 -3.658 1.00 97.90 O
ATOM 109 OD2 ASP A 17 -6.299 -16.665 -2.421 1.00 97.90 O
ATOM 110 N ASP A 18 -4.299 -19.400 -6.424 1.00 98.25 N
ATOM 111 CA ASP A 18 -3.730 -20.620 -6.987 1.00 98.25 C
ATOM 112 C ASP A 18 -2.824 -20.305 -8.176 1.00 98.25 C
ATOM 113 CB ASP A 18 -4.839 -21.584 -7.411 1.00 98.25 C
ATOM 114 O ASP A 18 -1.743 -20.882 -8.309 1.00 98.25 O
ATOM 115 CG ASP A 18 -5.520 -22.259 -6.234 1.00 98.25 C
ATOM 116 OD1 ASP A 18 -4.913 -22.345 -5.145 1.00 98.25 O
ATOM 117 OD2 ASP A 18 -6.674 -22.713 -6.398 1.00 98.25 O
ATOM 118 N GLU A 19 -3.300 -19.418 -8.959 1.00 97.95 N
ATOM 119 CA GLU A 19 -2.496 -19.040 -10.117 1.00 97.95 C
ATOM 120 C GLU A 19 -1.178 -18.401 -9.689 1.00 97.95 C
ATOM 121 CB GLU A 19 -3.274 -18.083 -11.024 1.00 97.95 C
ATOM 122 O GLU A 19 -0.133 -18.656 -10.293 1.00 97.95 O
ATOM 123 CG GLU A 19 -2.537 -17.709 -12.301 1.00 97.95 C
ATOM 124 CD GLU A 19 -2.302 -18.893 -13.226 1.00 97.95 C
ATOM 125 OE1 GLU A 19 -1.419 -18.806 -14.110 1.00 97.95 O
ATOM 126 OE2 GLU A 19 -3.006 -19.915 -13.066 1.00 97.95 O
ATOM 127 N VAL A 20 -1.177 -17.572 -8.697 1.00 98.57 N
ATOM 128 CA VAL A 20 0.045 -16.957 -8.190 1.00 98.57 C
ATOM 129 C VAL A 20 1.025 -18.042 -7.748 1.00 98.57 C
ATOM 130 CB VAL A 20 -0.248 -15.994 -7.018 1.00 98.57 C
ATOM 131 O VAL A 20 2.206 -18.002 -8.101 1.00 98.57 O
ATOM 132 CG1 VAL A 20 1.040 -15.631 -6.281 1.00 98.57 C
ATOM 133 CG2 VAL A 20 -0.951 -14.736 -7.525 1.00 98.57 C
ATOM 134 N ARG A 21 0.538 -19.082 -7.092 1.00 98.28 N
ATOM 135 CA ARG A 21 1.413 -20.156 -6.634 1.00 98.28 C
ATOM 136 C ARG A 21 2.018 -20.911 -7.813 1.00 98.28 C
ATOM 137 CB ARG A 21 0.649 -21.124 -5.728 1.00 98.28 C
ATOM 138 O ARG A 21 3.209 -21.228 -7.809 1.00 98.28 O
ATOM 139 CG ARG A 21 0.300 -20.547 -4.365 1.00 98.28 C
ATOM 140 CD ARG A 21 -0.579 -21.494 -3.560 1.00 98.28 C
ATOM 141 NE ARG A 21 -1.026 -20.884 -2.311 1.00 98.28 N
ATOM 142 NH1 ARG A 21 0.948 -21.273 -1.174 1.00 98.28 N
ATOM 143 NH2 ARG A 21 -0.796 -20.217 -0.125 1.00 98.28 N
ATOM 144 CZ ARG A 21 -0.290 -20.793 -1.206 1.00 98.28 C
ATOM 145 N ILE A 22 1.241 -21.144 -8.783 1.00 97.83 N
ATOM 146 CA ILE A 22 1.717 -21.857 -9.964 1.00 97.83 C
ATOM 147 C ILE A 22 2.788 -21.030 -10.670 1.00 97.83 C
ATOM 148 CB ILE A 22 0.559 -22.176 -10.936 1.00 97.83 C
ATOM 149 O ILE A 22 3.833 -21.558 -11.059 1.00 97.83 O
ATOM 150 CG1 ILE A 22 -0.369 -23.237 -10.332 1.00 97.83 C
ATOM 151 CG2 ILE A 22 1.103 -22.634 -12.292 1.00 97.83 C
ATOM 152 CD1 ILE A 22 -1.700 -23.381 -11.058 1.00 97.83 C
ATOM 153 N LEU A 23 2.478 -19.776 -10.788 1.00 98.03 N
ATOM 154 CA LEU A 23 3.426 -18.900 -11.469 1.00 98.03 C
ATOM 155 C LEU A 23 4.737 -18.812 -10.695 1.00 98.03 C
ATOM 156 CB LEU A 23 2.830 -17.501 -11.648 1.00 98.03 C
ATOM 157 O LEU A 23 5.816 -18.812 -11.292 1.00 98.03 O
ATOM 158 CG LEU A 23 1.696 -17.373 -12.666 1.00 98.03 C
ATOM 159 CD1 LEU A 23 0.973 -16.041 -12.489 1.00 98.03 C
ATOM 160 CD2 LEU A 23 2.233 -17.511 -14.086 1.00 98.03 C
ATOM 161 N MET A 24 4.632 -18.787 -9.411 1.00 97.48 N
ATOM 162 CA MET A 24 5.850 -18.769 -8.605 1.00 97.48 C
ATOM 163 C MET A 24 6.619 -20.077 -8.754 1.00 97.48 C
ATOM 164 CB MET A 24 5.518 -18.522 -7.133 1.00 97.48 C
ATOM 165 O MET A 24 7.844 -20.070 -8.890 1.00 97.48 O
ATOM 166 CG MET A 24 5.005 -17.120 -6.847 1.00 97.48 C
ATOM 167 SD MET A 24 6.074 -15.818 -7.576 1.00 97.48 S
ATOM 168 CE MET A 24 7.655 -16.220 -6.782 1.00 97.48 C
ATOM 169 N ALA A 25 5.960 -21.145 -8.795 1.00 96.39 N
ATOM 170 CA ALA A 25 6.592 -22.452 -8.956 1.00 96.39 C
ATOM 171 C ALA A 25 7.268 -22.571 -10.319 1.00 96.39 C
ATOM 172 CB ALA A 25 5.564 -23.566 -8.777 1.00 96.39 C
ATOM 173 O ALA A 25 8.260 -23.289 -10.467 1.00 96.39 O
ATOM 174 N ASN A 26 6.847 -21.863 -11.258 1.00 96.78 N
ATOM 175 CA ASN A 26 7.383 -21.921 -12.614 1.00 96.78 C
ATOM 176 C ASN A 26 8.467 -20.870 -12.834 1.00 96.78 C
ATOM 177 CB ASN A 26 6.262 -21.750 -13.642 1.00 96.78 C
ATOM 178 O ASN A 26 8.922 -20.668 -13.961 1.00 96.78 O
ATOM 179 CG ASN A 26 5.361 -22.966 -13.731 1.00 96.78 C
ATOM 180 ND2 ASN A 26 4.113 -22.752 -14.131 1.00 96.78 N
ATOM 181 OD1 ASN A 26 5.783 -24.089 -13.443 1.00 96.78 O
ATOM 182 N GLY A 27 8.817 -20.208 -11.827 1.00 96.33 N
ATOM 183 CA GLY A 27 9.992 -19.353 -11.872 1.00 96.33 C
ATOM 184 C GLY A 27 9.671 -17.917 -12.241 1.00 96.33 C
ATOM 185 O GLY A 27 10.532 -17.193 -12.747 1.00 96.33 O
ATOM 186 N ALA A 28 8.397 -17.510 -12.030 1.00 97.60 N
ATOM 187 CA ALA A 28 8.074 -16.104 -12.259 1.00 97.60 C
ATOM 188 C ALA A 28 8.915 -15.195 -11.367 1.00 97.60 C
ATOM 189 CB ALA A 28 6.587 -15.853 -12.016 1.00 97.60 C
ATOM 190 O ALA A 28 9.196 -15.533 -10.215 1.00 97.60 O
ATOM 191 N ASP A 29 9.321 -14.023 -11.958 1.00 97.78 N
ATOM 192 CA ASP A 29 10.001 -13.009 -11.159 1.00 97.78 C
ATOM 193 C ASP A 29 9.036 -12.344 -10.180 1.00 97.78 C
ATOM 194 CB ASP A 29 10.643 -11.954 -12.062 1.00 97.78 C
ATOM 195 O ASP A 29 8.181 -11.553 -10.583 1.00 97.78 O
ATOM 196 CG ASP A 29 11.379 -10.876 -11.286 1.00 97.78 C
ATOM 197 OD1 ASP A 29 11.538 -11.014 -10.053 1.00 97.78 O
ATOM 198 OD2 ASP A 29 11.800 -9.879 -11.911 1.00 97.78 O
ATOM 199 N VAL A 30 9.211 -12.630 -8.931 1.00 98.28 N
ATOM 200 CA VAL A 30 8.288 -12.175 -7.896 1.00 98.28 C
ATOM 201 C VAL A 30 8.320 -10.651 -7.808 1.00 98.28 C
ATOM 202 CB VAL A 30 8.628 -12.795 -6.522 1.00 98.28 C
ATOM 203 O VAL A 30 7.370 -10.031 -7.323 1.00 98.28 O
ATOM 204 CG1 VAL A 30 9.990 -12.309 -6.031 1.00 98.28 C
ATOM 205 CG2 VAL A 30 7.539 -12.461 -5.503 1.00 98.28 C
ATOM 206 N ASN A 31 9.428 -10.051 -8.272 1.00 98.26 N
ATOM 207 CA ASN A 31 9.579 -8.602 -8.182 1.00 98.26 C
ATOM 208 C ASN A 31 9.443 -7.938 -9.549 1.00 98.26 C
ATOM 209 CB ASN A 31 10.925 -8.242 -7.548 1.00 98.26 C
ATOM 210 O ASN A 31 9.993 -6.859 -9.776 1.00 98.26 O
ATOM 211 CG ASN A 31 11.010 -8.645 -6.089 1.00 98.26 C
ATOM 212 ND2 ASN A 31 12.124 -9.258 -5.707 1.00 98.26 N
ATOM 213 OD1 ASN A 31 10.081 -8.408 -5.312 1.00 98.26 O
ATOM 214 N ALA A 32 8.733 -8.687 -10.471 1.00 96.06 N
ATOM 215 CA ALA A 32 8.405 -8.041 -11.739 1.00 96.06 C
ATOM 216 C ALA A 32 7.630 -6.746 -11.512 1.00 96.06 C
ATOM 217 CB ALA A 32 7.603 -8.989 -12.628 1.00 96.06 C
ATOM 218 O ALA A 32 6.850 -6.641 -10.562 1.00 96.06 O
ATOM 219 N ALA A 33 7.933 -5.787 -12.348 1.00 92.34 N
ATOM 220 CA ALA A 33 7.214 -4.522 -12.218 1.00 92.34 C
ATOM 221 C ALA A 33 6.562 -4.123 -13.539 1.00 92.34 C
ATOM 222 CB ALA A 33 8.157 -3.420 -11.740 1.00 92.34 C
ATOM 223 O ALA A 33 7.094 -4.413 -14.613 1.00 92.34 O
ATOM 224 N ASP A 34 5.421 -3.515 -13.400 1.00 87.94 N
ATOM 225 CA ASP A 34 4.802 -2.970 -14.604 1.00 87.94 C
ATOM 226 C ASP A 34 5.374 -1.596 -14.942 1.00 87.94 C
ATOM 227 CB ASP A 34 3.284 -2.880 -14.432 1.00 87.94 C
ATOM 228 O ASP A 34 6.402 -1.193 -14.392 1.00 87.94 O
ATOM 229 CG ASP A 34 2.863 -1.832 -13.417 1.00 87.94 C
ATOM 230 OD1 ASP A 34 3.730 -1.082 -12.920 1.00 87.94 O
ATOM 231 OD2 ASP A 34 1.653 -1.758 -13.110 1.00 87.94 O
ATOM 232 N TRP A 35 4.792 -0.961 -15.909 1.00 86.71 N
ATOM 233 CA TRP A 35 5.302 0.301 -16.434 1.00 86.71 C
ATOM 234 C TRP A 35 5.325 1.373 -15.349 1.00 86.71 C
ATOM 235 CB TRP A 35 4.455 0.774 -17.618 1.00 86.71 C
ATOM 236 O TRP A 35 6.143 2.294 -15.394 1.00 86.71 O
ATOM 237 CG TRP A 35 4.998 1.988 -18.310 1.00 86.71 C
ATOM 238 CD1 TRP A 35 5.079 3.257 -17.805 1.00 86.71 C
ATOM 239 CD2 TRP A 35 5.531 2.049 -19.636 1.00 86.71 C
ATOM 240 CE2 TRP A 35 5.918 3.387 -19.870 1.00 86.71 C
ATOM 241 CE3 TRP A 35 5.720 1.100 -20.650 1.00 86.71 C
ATOM 242 NE1 TRP A 35 5.632 4.102 -18.739 1.00 86.71 N
ATOM 243 CH2 TRP A 35 6.658 2.852 -22.054 1.00 86.71 C
ATOM 244 CZ2 TRP A 35 6.484 3.800 -21.079 1.00 86.71 C
ATOM 245 CZ3 TRP A 35 6.284 1.514 -21.852 1.00 86.71 C
ATOM 246 N TRP A 36 4.475 1.211 -14.360 1.00 87.18 N
ATOM 247 CA TRP A 36 4.391 2.201 -13.291 1.00 87.18 C
ATOM 248 C TRP A 36 5.289 1.814 -12.120 1.00 87.18 C
ATOM 249 CB TRP A 36 2.945 2.355 -12.812 1.00 87.18 C
ATOM 250 O TRP A 36 5.328 2.511 -11.103 1.00 87.18 O
ATOM 251 CG TRP A 36 2.010 2.883 -13.859 1.00 87.18 C
ATOM 252 CD1 TRP A 36 1.460 2.187 -14.899 1.00 87.18 C
ATOM 253 CD2 TRP A 36 1.521 4.223 -13.969 1.00 87.18 C
ATOM 254 CE2 TRP A 36 0.676 4.268 -15.100 1.00 87.18 C
ATOM 255 CE3 TRP A 36 1.714 5.391 -13.219 1.00 87.18 C
ATOM 256 NE1 TRP A 36 0.656 3.014 -15.649 1.00 87.18 N
ATOM 257 CH2 TRP A 36 0.231 6.566 -14.749 1.00 87.18 C
ATOM 258 CZ2 TRP A 36 0.025 5.437 -15.499 1.00 87.18 C
ATOM 259 CZ3 TRP A 36 1.065 6.554 -13.618 1.00 87.18 C
ATOM 260 N GLY A 37 5.993 0.720 -12.267 1.00 90.70 N
ATOM 261 CA GLY A 37 6.861 0.257 -11.196 1.00 90.70 C
ATOM 262 C GLY A 37 6.130 -0.558 -10.146 1.00 90.70 C
ATOM 263 O GLY A 37 6.687 -0.860 -9.088 1.00 90.70 O
ATOM 264 N LEU A 38 4.924 -0.842 -10.463 1.00 92.33 N
ATOM 265 CA LEU A 38 4.167 -1.632 -9.498 1.00 92.33 C
ATOM 266 C LEU A 38 4.546 -3.107 -9.588 1.00 92.33 C
ATOM 267 CB LEU A 38 2.663 -1.465 -9.730 1.00 92.33 C
ATOM 268 O LEU A 38 4.607 -3.671 -10.682 1.00 92.33 O
ATOM 269 CG LEU A 38 2.077 -0.088 -9.413 1.00 92.33 C
ATOM 270 CD1 LEU A 38 0.682 0.045 -10.015 1.00 92.33 C
ATOM 271 CD2 LEU A 38 2.040 0.144 -7.906 1.00 92.33 C
ATOM 272 N THR A 39 4.712 -3.619 -8.425 1.00 95.49 N
ATOM 273 CA THR A 39 4.988 -5.046 -8.297 1.00 95.49 C
ATOM 274 C THR A 39 3.723 -5.810 -7.920 1.00 95.49 C
ATOM 275 CB THR A 39 6.084 -5.311 -7.248 1.00 95.49 C
ATOM 276 O THR A 39 2.697 -5.204 -7.601 1.00 95.49 O
ATOM 277 CG2 THR A 39 7.301 -4.424 -7.488 1.00 95.49 C
ATOM 278 OG1 THR A 39 5.561 -5.043 -5.941 1.00 95.49 O
ATOM 279 N PRO A 40 3.821 -7.165 -8.052 1.00 96.67 N
ATOM 280 CA PRO A 40 2.669 -7.940 -7.584 1.00 96.67 C
ATOM 281 C PRO A 40 2.300 -7.633 -6.135 1.00 96.67 C
ATOM 282 CB PRO A 40 3.136 -9.390 -7.733 1.00 96.67 C
ATOM 283 O PRO A 40 1.117 -7.612 -5.786 1.00 96.67 O
ATOM 284 CG PRO A 40 4.111 -9.363 -8.866 1.00 96.67 C
ATOM 285 CD PRO A 40 4.918 -8.101 -8.770 1.00 96.67 C
ATOM 286 N LEU A 41 3.272 -7.354 -5.342 1.00 98.52 N
ATOM 287 CA LEU A 41 2.987 -7.068 -3.940 1.00 98.52 C
ATOM 288 C LEU A 41 2.232 -5.752 -3.796 1.00 98.52 C
ATOM 289 CB LEU A 41 4.285 -7.017 -3.130 1.00 98.52 C
ATOM 290 O LEU A 41 1.304 -5.649 -2.990 1.00 98.52 O
ATOM 291 CG LEU A 41 4.133 -6.896 -1.613 1.00 98.52 C
ATOM 292 CD1 LEU A 41 3.286 -8.043 -1.072 1.00 98.52 C
ATOM 293 CD2 LEU A 41 5.500 -6.870 -0.938 1.00 98.52 C
ATOM 294 N HIS A 42 2.665 -4.799 -4.586 1.00 96.05 N
ATOM 295 CA HIS A 42 1.874 -3.574 -4.611 1.00 96.05 C
ATOM 296 C HIS A 42 0.408 -3.871 -4.905 1.00 96.05 C
ATOM 297 CB HIS A 42 2.430 -2.598 -5.650 1.00 96.05 C
ATOM 298 O HIS A 42 -0.480 -3.409 -4.185 1.00 96.05 O
ATOM 299 CG HIS A 42 3.695 -1.923 -5.223 1.00 96.05 C
ATOM 300 CD2 HIS A 42 3.902 -0.827 -4.456 1.00 96.05 C
ATOM 301 ND1 HIS A 42 4.942 -2.375 -5.596 1.00 96.05 N
ATOM 302 CE1 HIS A 42 5.864 -1.584 -5.074 1.00 96.05 C
ATOM 303 NE2 HIS A 42 5.260 -0.637 -4.378 1.00 96.05 N
ATOM 304 N LEU A 43 0.265 -4.612 -5.932 1.00 93.49 N
ATOM 305 CA LEU A 43 -1.076 -4.836 -6.460 1.00 93.49 C
ATOM 306 C LEU A 43 -1.911 -5.663 -5.489 1.00 93.49 C
ATOM 307 CB LEU A 43 -1.007 -5.539 -7.819 1.00 93.49 C
ATOM 308 O LEU A 43 -3.070 -5.334 -5.223 1.00 93.49 O
ATOM 309 CG LEU A 43 -0.329 -4.763 -8.949 1.00 93.49 C
ATOM 310 CD1 LEU A 43 -0.105 -5.671 -10.154 1.00 93.49 C
ATOM 311 CD2 LEU A 43 -1.162 -3.546 -9.337 1.00 93.49 C
ATOM 312 N ALA A 44 -1.385 -6.706 -4.972 1.00 96.31 N
ATOM 313 CA ALA A 44 -2.101 -7.527 -4.000 1.00 96.31 C
ATOM 314 C ALA A 44 -2.439 -6.724 -2.747 1.00 96.31 C
ATOM 315 CB ALA A 44 -1.276 -8.758 -3.633 1.00 96.31 C
ATOM 316 O ALA A 44 -3.525 -6.873 -2.181 1.00 96.31 O
ATOM 317 N ALA A 45 -1.542 -5.849 -2.294 1.00 97.02 N
ATOM 318 CA ALA A 45 -1.773 -5.021 -1.113 1.00 97.02 C
ATOM 319 C ALA A 45 -2.895 -4.017 -1.358 1.00 97.02 C
ATOM 320 CB ALA A 45 -0.491 -4.295 -0.714 1.00 97.02 C
ATOM 321 O ALA A 45 -3.737 -3.792 -0.484 1.00 97.02 O
ATOM 322 N TRP A 46 -2.871 -3.514 -2.461 1.00 93.82 N
ATOM 323 CA TRP A 46 -3.900 -2.541 -2.811 1.00 93.82 C
ATOM 324 C TRP A 46 -5.280 -3.190 -2.831 1.00 93.82 C
ATOM 325 CB TRP A 46 -3.601 -1.907 -4.173 1.00 93.82 C
ATOM 326 O TRP A 46 -6.243 -2.632 -2.299 1.00 93.82 O
ATOM 327 CG TRP A 46 -4.646 -0.937 -4.636 1.00 93.82 C
ATOM 328 CD1 TRP A 46 -5.585 -1.139 -5.609 1.00 93.82 C
ATOM 329 CD2 TRP A 46 -4.854 0.392 -4.147 1.00 93.82 C
ATOM 330 CE2 TRP A 46 -5.938 0.938 -4.869 1.00 93.82 C
ATOM 331 CE3 TRP A 46 -4.229 1.173 -3.166 1.00 93.82 C
ATOM 332 NE1 TRP A 46 -6.365 -0.015 -5.754 1.00 93.82 N
ATOM 333 CH2 TRP A 46 -5.781 2.976 -3.676 1.00 93.82 C
ATOM 334 CZ2 TRP A 46 -6.410 2.233 -4.641 1.00 93.82 C
ATOM 335 CZ3 TRP A 46 -4.701 2.461 -2.940 1.00 93.82 C
ATOM 336 N HIS A 47 -5.373 -4.338 -3.366 1.00 92.76 N
ATOM 337 CA HIS A 47 -6.663 -4.981 -3.589 1.00 92.76 C
ATOM 338 C HIS A 47 -7.094 -5.791 -2.371 1.00 92.76 C
ATOM 339 CB HIS A 47 -6.606 -5.881 -4.825 1.00 92.76 C
ATOM 340 O HIS A 47 -8.226 -6.274 -2.310 1.00 92.76 O
ATOM 341 CG HIS A 47 -6.644 -5.130 -6.117 1.00 92.76 C
ATOM 342 CD2 HIS A 47 -5.654 -4.778 -6.971 1.00 92.76 C
ATOM 343 ND1 HIS A 47 -7.814 -4.644 -6.662 1.00 92.76 N
ATOM 344 CE1 HIS A 47 -7.540 -4.026 -7.798 1.00 92.76 C
ATOM 345 NE2 HIS A 47 -6.236 -4.093 -8.009 1.00 92.76 N
ATOM 346 N GLY A 48 -6.287 -5.943 -1.437 1.00 96.15 N
ATOM 347 CA GLY A 48 -6.663 -6.608 -0.200 1.00 96.15 C
ATOM 348 C GLY A 48 -6.587 -8.120 -0.289 1.00 96.15 C
ATOM 349 O GLY A 48 -7.330 -8.826 0.396 1.00 96.15 O
ATOM 350 N HIS A 49 -5.732 -8.600 -1.156 1.00 97.60 N
ATOM 351 CA HIS A 49 -5.574 -10.043 -1.302 1.00 97.60 C
ATOM 352 C HIS A 49 -4.518 -10.581 -0.343 1.00 97.60 C
ATOM 353 CB HIS A 49 -5.205 -10.398 -2.743 1.00 97.60 C
ATOM 354 O HIS A 49 -3.376 -10.821 -0.742 1.00 97.60 O
ATOM 355 CG HIS A 49 -6.205 -9.928 -3.752 1.00 97.60 C
ATOM 356 CD2 HIS A 49 -6.040 -9.399 -4.987 1.00 97.60 C
ATOM 357 ND1 HIS A 49 -7.564 -9.976 -3.530 1.00 97.60 N
ATOM 358 CE1 HIS A 49 -8.194 -9.495 -4.589 1.00 97.60 C
ATOM 359 NE2 HIS A 49 -7.292 -9.138 -5.487 1.00 97.60 N
ATOM 360 N LEU A 50 -5.002 -10.854 0.836 1.00 98.89 N
ATOM 361 CA LEU A 50 -4.109 -11.206 1.934 1.00 98.89 C
ATOM 362 C LEU A 50 -3.322 -12.472 1.611 1.00 98.89 C
ATOM 363 CB LEU A 50 -4.902 -11.401 3.229 1.00 98.89 C
ATOM 364 O LEU A 50 -2.107 -12.522 1.814 1.00 98.89 O
ATOM 365 CG LEU A 50 -4.102 -11.846 4.454 1.00 98.89 C
ATOM 366 CD1 LEU A 50 -3.038 -10.809 4.798 1.00 98.89 C
ATOM 367 CD2 LEU A 50 -5.029 -12.082 5.642 1.00 98.89 C
ATOM 368 N GLU A 51 -4.014 -13.482 1.149 1.00 98.70 N
ATOM 369 CA GLU A 51 -3.319 -14.737 0.878 1.00 98.70 C
ATOM 370 C GLU A 51 -2.211 -14.543 -0.154 1.00 98.70 C
ATOM 371 CB GLU A 51 -4.304 -15.805 0.396 1.00 98.70 C
ATOM 372 O GLU A 51 -1.118 -15.095 -0.011 1.00 98.70 O
ATOM 373 CG GLU A 51 -5.228 -16.326 1.487 1.00 98.70 C
ATOM 374 CD GLU A 51 -6.316 -15.338 1.876 1.00 98.70 C
ATOM 375 OE1 GLU A 51 -6.944 -15.515 2.944 1.00 98.70 O
ATOM 376 OE2 GLU A 51 -6.543 -14.379 1.104 1.00 98.70 O
ATOM 377 N ILE A 52 -2.497 -13.752 -1.129 1.00 98.83 N
ATOM 378 CA ILE A 52 -1.500 -13.500 -2.164 1.00 98.83 C
ATOM 379 C ILE A 52 -0.336 -12.705 -1.577 1.00 98.83 C
ATOM 380 CB ILE A 52 -2.112 -12.745 -3.366 1.00 98.83 C
ATOM 381 O ILE A 52 0.827 -12.980 -1.883 1.00 98.83 O
ATOM 382 CG1 ILE A 52 -3.102 -13.646 -4.114 1.00 98.83 C
ATOM 383 CG2 ILE A 52 -1.012 -12.243 -4.305 1.00 98.83 C
ATOM 384 CD1 ILE A 52 -3.825 -12.952 -5.260 1.00 98.83 C
ATOM 385 N VAL A 53 -0.560 -11.754 -0.727 1.00 98.92 N
ATOM 386 CA VAL A 53 0.504 -11.003 -0.070 1.00 98.92 C
ATOM 387 C VAL A 53 1.431 -11.962 0.674 1.00 98.92 C
ATOM 388 CB VAL A 53 -0.065 -9.948 0.905 1.00 98.92 C
ATOM 389 O VAL A 53 2.654 -11.878 0.545 1.00 98.92 O
ATOM 390 CG1 VAL A 53 1.037 -9.396 1.807 1.00 98.92 C
ATOM 391 CG2 VAL A 53 -0.742 -8.818 0.131 1.00 98.92 C
ATOM 392 N GLU A 54 0.860 -12.940 1.355 1.00 98.82 N
ATOM 393 CA GLU A 54 1.666 -13.880 2.127 1.00 98.82 C
ATOM 394 C GLU A 54 2.516 -14.759 1.214 1.00 98.82 C
ATOM 395 CB GLU A 54 0.774 -14.752 3.015 1.00 98.82 C
ATOM 396 O GLU A 54 3.705 -14.961 1.468 1.00 98.82 O
ATOM 397 CG GLU A 54 0.126 -13.997 4.166 1.00 98.82 C
ATOM 398 CD GLU A 54 -0.751 -14.877 5.042 1.00 98.82 C
ATOM 399 OE1 GLU A 54 -1.163 -14.426 6.135 1.00 98.82 O
ATOM 400 OE2 GLU A 54 -1.027 -16.027 4.634 1.00 98.82 O
ATOM 401 N VAL A 55 1.932 -15.216 0.188 1.00 98.71 N
ATOM 402 CA VAL A 55 2.665 -16.066 -0.744 1.00 98.71 C
ATOM 403 C VAL A 55 3.825 -15.284 -1.355 1.00 98.71 C
ATOM 404 CB VAL A 55 1.744 -16.612 -1.858 1.00 98.71 C
ATOM 405 O VAL A 55 4.946 -15.790 -1.442 1.00 98.71 O
ATOM 406 CG1 VAL A 55 2.569 -17.249 -2.976 1.00 98.71 C
ATOM 407 CG2 VAL A 55 0.750 -17.618 -1.283 1.00 98.71 C
ATOM 408 N LEU A 56 3.529 -14.048 -1.745 1.00 98.87 N
ATOM 409 CA LEU A 56 4.565 -13.242 -2.382 1.00 98.87 C
ATOM 410 C LEU A 56 5.706 -12.959 -1.410 1.00 98.87 C
ATOM 411 CB LEU A 56 3.980 -11.925 -2.897 1.00 98.87 C
ATOM 412 O LEU A 56 6.879 -13.035 -1.784 1.00 98.87 O
ATOM 413 CG LEU A 56 2.984 -12.032 -4.053 1.00 98.87 C
ATOM 414 CD1 LEU A 56 2.343 -10.676 -4.328 1.00 98.87 C
ATOM 415 CD2 LEU A 56 3.672 -12.568 -5.304 1.00 98.87 C
ATOM 416 N LEU A 57 5.398 -12.728 -0.231 1.00 98.88 N
ATOM 417 CA LEU A 57 6.443 -12.464 0.752 1.00 98.88 C
ATOM 418 C LEU A 57 7.275 -13.716 1.011 1.00 98.88 C
ATOM 419 CB LEU A 57 5.831 -11.964 2.064 1.00 98.88 C
ATOM 420 O LEU A 57 8.503 -13.643 1.098 1.00 98.88 O
ATOM 421 CG LEU A 57 5.270 -10.541 2.051 1.00 98.88 C
ATOM 422 CD1 LEU A 57 4.503 -10.263 3.339 1.00 98.88 C
ATOM 423 CD2 LEU A 57 6.390 -9.525 1.859 1.00 98.88 C
ATOM 424 N LYS A 58 6.658 -14.816 1.055 1.00 98.19 N
ATOM 425 CA LYS A 58 7.357 -16.071 1.314 1.00 98.19 C
ATOM 426 C LYS A 58 8.280 -16.436 0.155 1.00 98.19 C
ATOM 427 CB LYS A 58 6.356 -17.201 1.562 1.00 98.19 C
ATOM 428 O LYS A 58 9.293 -17.111 0.349 1.00 98.19 O
ATOM 429 CG LYS A 58 5.736 -17.185 2.951 1.00 98.19 C
ATOM 430 CD LYS A 58 4.685 -18.277 3.107 1.00 98.19 C
ATOM 431 CE LYS A 58 3.997 -18.202 4.463 1.00 98.19 C
ATOM 432 NZ LYS A 58 2.922 -19.230 4.596 1.00 98.19 N
ATOM 433 N THR A 59 7.981 -15.930 -0.977 1.00 97.80 N
ATOM 434 CA THR A 59 8.743 -16.313 -2.160 1.00 97.80 C
ATOM 435 C THR A 59 9.735 -15.217 -2.543 1.00 97.80 C
ATOM 436 CB THR A 59 7.814 -16.606 -3.353 1.00 97.80 C
ATOM 437 O THR A 59 10.244 -15.198 -3.665 1.00 97.80 O
ATOM 438 CG2 THR A 59 6.929 -17.817 -3.075 1.00 97.80 C
ATOM 439 OG1 THR A 59 6.982 -15.466 -3.595 1.00 97.80 O
ATOM 440 N GLY A 60 9.919 -14.227 -1.720 1.00 98.21 N
ATOM 441 CA GLY A 60 11.055 -13.330 -1.865 1.00 98.21 C
ATOM 442 C GLY A 60 10.671 -11.963 -2.401 1.00 98.21 C
ATOM 443 O GLY A 60 11.522 -11.228 -2.906 1.00 98.21 O
ATOM 444 N ALA A 61 9.390 -11.635 -2.322 1.00 98.81 N
ATOM 445 CA ALA A 61 9.005 -10.287 -2.731 1.00 98.81 C
ATOM 446 C ALA A 61 9.710 -9.233 -1.882 1.00 98.81 C
ATOM 447 CB ALA A 61 7.491 -10.115 -2.636 1.00 98.81 C
ATOM 448 O ALA A 61 9.850 -9.397 -0.667 1.00 98.81 O
ATOM 449 N ASP A 62 10.176 -8.128 -2.527 1.00 98.89 N
ATOM 450 CA ASP A 62 10.711 -6.971 -1.816 1.00 98.89 C
ATOM 451 C ASP A 62 9.599 -6.192 -1.117 1.00 98.89 C
ATOM 452 CB ASP A 62 11.471 -6.054 -2.777 1.00 98.89 C
ATOM 453 O ASP A 62 8.817 -5.497 -1.768 1.00 98.89 O
ATOM 454 CG ASP A 62 12.100 -4.858 -2.084 1.00 98.89 C
ATOM 455 OD1 ASP A 62 12.032 -4.770 -0.839 1.00 98.89 O
ATOM 456 OD2 ASP A 62 12.666 -3.995 -2.790 1.00 98.89 O
ATOM 457 N VAL A 63 9.592 -6.277 0.171 1.00 98.89 N
ATOM 458 CA VAL A 63 8.502 -5.713 0.961 1.00 98.89 C
ATOM 459 C VAL A 63 8.526 -4.189 0.859 1.00 98.89 C
ATOM 460 CB VAL A 63 8.589 -6.149 2.440 1.00 98.89 C
ATOM 461 O VAL A 63 7.504 -3.531 1.069 1.00 98.89 O
ATOM 462 CG1 VAL A 63 9.855 -5.597 3.093 1.00 98.89 C
ATOM 463 CG2 VAL A 63 7.347 -5.693 3.204 1.00 98.89 C
ATOM 464 N ASN A 64 9.688 -3.620 0.485 1.00 98.87 N
ATOM 465 CA ASN A 64 9.838 -2.169 0.444 1.00 98.87 C
ATOM 466 C ASN A 64 9.974 -1.659 -0.988 1.00 98.87 C
ATOM 467 CB ASN A 64 11.040 -1.729 1.282 1.00 98.87 C
ATOM 468 O ASN A 64 10.543 -0.591 -1.219 1.00 98.87 O
ATOM 469 CG ASN A 64 10.783 -1.830 2.772 1.00 98.87 C
ATOM 470 ND2 ASN A 64 11.766 -2.330 3.511 1.00 98.87 N
ATOM 471 OD1 ASN A 64 9.708 -1.463 3.255 1.00 98.87 O
ATOM 472 N ALA A 65 9.458 -2.495 -1.923 1.00 98.45 N
ATOM 473 CA ALA A 65 9.481 -2.032 -3.308 1.00 98.45 C
ATOM 474 C ALA A 65 8.718 -0.719 -3.461 1.00 98.45 C
ATOM 475 CB ALA A 65 8.896 -3.095 -4.235 1.00 98.45 C
ATOM 476 O ALA A 65 7.641 -0.550 -2.886 1.00 98.45 O
ATOM 477 N SER A 66 9.326 0.240 -4.148 1.00 95.98 N
ATOM 478 CA SER A 66 8.657 1.504 -4.442 1.00 95.98 C
ATOM 479 C SER A 66 8.313 1.616 -5.923 1.00 95.98 C
ATOM 480 CB SER A 66 9.533 2.685 -4.022 1.00 95.98 C
ATOM 481 O SER A 66 9.115 1.242 -6.782 1.00 95.98 O
ATOM 482 OG SER A 66 10.757 2.682 -4.737 1.00 95.98 O
ATOM 483 N ASP A 67 7.048 2.052 -6.138 1.00 92.08 N
ATOM 484 CA ASP A 67 6.711 2.308 -7.535 1.00 92.08 C
ATOM 485 C ASP A 67 7.292 3.641 -8.004 1.00 92.08 C
ATOM 486 CB ASP A 67 5.194 2.297 -7.731 1.00 92.08 C
ATOM 487 O ASP A 67 8.149 4.221 -7.334 1.00 92.08 O
ATOM 488 CG ASP A 67 4.519 3.554 -7.210 1.00 92.08 C
ATOM 489 OD1 ASP A 67 5.207 4.418 -6.625 1.00 92.08 O
ATOM 490 OD2 ASP A 67 3.287 3.679 -7.384 1.00 92.08 O
ATOM 491 N ASN A 68 6.949 4.098 -9.139 1.00 90.75 N
ATOM 492 CA ASN A 68 7.565 5.284 -9.724 1.00 90.75 C
ATOM 493 C ASN A 68 7.251 6.538 -8.913 1.00 90.75 C
ATOM 494 CB ASN A 68 7.114 5.463 -11.175 1.00 90.75 C
ATOM 495 O ASN A 68 7.901 7.571 -9.082 1.00 90.75 O
ATOM 496 CG ASN A 68 7.724 4.435 -12.108 1.00 90.75 C
ATOM 497 ND2 ASN A 68 7.199 4.352 -13.324 1.00 90.75 N
ATOM 498 OD1 ASN A 68 8.660 3.721 -11.737 1.00 90.75 O
ATOM 499 N ASN A 69 6.300 6.467 -8.056 1.00 89.52 N
ATOM 500 CA ASN A 69 5.964 7.600 -7.201 1.00 89.52 C
ATOM 501 C ASN A 69 6.430 7.377 -5.765 1.00 89.52 C
ATOM 502 CB ASN A 69 4.458 7.869 -7.234 1.00 89.52 C
ATOM 503 O ASN A 69 6.016 8.096 -4.855 1.00 89.52 O
ATOM 504 CG ASN A 69 3.977 8.330 -8.596 1.00 89.52 C
ATOM 505 ND2 ASN A 69 2.915 7.707 -9.093 1.00 89.52 N
ATOM 506 OD1 ASN A 69 4.556 9.239 -9.198 1.00 89.52 O
ATOM 507 N GLY A 70 7.173 6.381 -5.578 1.00 91.96 N
ATOM 508 CA GLY A 70 7.693 6.118 -4.246 1.00 91.96 C
ATOM 509 C GLY A 70 6.715 5.369 -3.360 1.00 91.96 C
ATOM 510 O GLY A 70 6.971 5.173 -2.170 1.00 91.96 O
ATOM 511 N ILE A 71 5.705 4.914 -3.987 1.00 93.94 N
ATOM 512 CA ILE A 71 4.668 4.243 -3.211 1.00 93.94 C
ATOM 513 C ILE A 71 5.081 2.799 -2.938 1.00 93.94 C
ATOM 514 CB ILE A 71 3.304 4.283 -3.937 1.00 93.94 C
ATOM 515 O ILE A 71 5.482 2.077 -3.855 1.00 93.94 O
ATOM 516 CG1 ILE A 71 2.818 5.729 -4.080 1.00 93.94 C
ATOM 517 CG2 ILE A 71 2.273 3.429 -3.194 1.00 93.94 C
ATOM 518 CD1 ILE A 71 1.542 5.875 -4.898 1.00 93.94 C
ATOM 519 N THR A 72 4.942 2.494 -1.673 1.00 96.50 N
ATOM 520 CA THR A 72 5.234 1.129 -1.248 1.00 96.50 C
ATOM 521 C THR A 72 3.944 0.344 -1.026 1.00 96.50 C
ATOM 522 CB THR A 72 6.076 1.114 0.042 1.00 96.50 C
ATOM 523 O THR A 72 2.859 0.926 -0.974 1.00 96.50 O
ATOM 524 CG2 THR A 72 7.284 2.037 -0.079 1.00 96.50 C
ATOM 525 OG1 THR A 72 5.264 1.549 1.140 1.00 96.50 O
ATOM 526 N PRO A 73 4.071 -1.016 -0.949 1.00 97.84 N
ATOM 527 CA PRO A 73 2.871 -1.789 -0.621 1.00 97.84 C
ATOM 528 C PRO A 73 2.216 -1.337 0.682 1.00 97.84 C
ATOM 529 CB PRO A 73 3.396 -3.221 -0.500 1.00 97.84 C
ATOM 530 O PRO A 73 0.987 -1.344 0.795 1.00 97.84 O
ATOM 531 CG PRO A 73 4.575 -3.275 -1.417 1.00 97.84 C
ATOM 532 CD PRO A 73 5.318 -1.974 -1.314 1.00 97.84 C
ATOM 533 N LEU A 74 2.993 -0.884 1.622 1.00 98.73 N
ATOM 534 CA LEU A 74 2.431 -0.444 2.894 1.00 98.73 C
ATOM 535 C LEU A 74 1.608 0.827 2.714 1.00 98.73 C
ATOM 536 CB LEU A 74 3.544 -0.204 3.917 1.00 98.73 C
ATOM 537 O LEU A 74 0.549 0.978 3.328 1.00 98.73 O
ATOM 538 CG LEU A 74 3.096 0.174 5.330 1.00 98.73 C
ATOM 539 CD1 LEU A 74 2.170 -0.896 5.897 1.00 98.73 C
ATOM 540 CD2 LEU A 74 4.305 0.379 6.238 1.00 98.73 C
ATOM 541 N HIS A 75 2.153 1.678 1.937 1.00 96.14 N
ATOM 542 CA HIS A 75 1.331 2.838 1.609 1.00 96.14 C
ATOM 543 C HIS A 75 -0.056 2.414 1.136 1.00 96.14 C
ATOM 544 CB HIS A 75 2.012 3.693 0.540 1.00 96.14 C
ATOM 545 O HIS A 75 -1.065 2.945 1.604 1.00 96.14 O
ATOM 546 CG HIS A 75 3.162 4.497 1.057 1.00 96.14 C
ATOM 547 CD2 HIS A 75 3.193 5.629 1.798 1.00 96.14 C
ATOM 548 ND1 HIS A 75 4.476 4.155 0.819 1.00 96.14 N
ATOM 549 CE1 HIS A 75 5.267 5.045 1.394 1.00 96.14 C
ATOM 550 NE2 HIS A 75 4.513 5.950 1.995 1.00 96.14 N
ATOM 551 N LEU A 76 -0.021 1.508 0.248 1.00 94.60 N
ATOM 552 CA LEU A 76 -1.259 1.118 -0.419 1.00 94.60 C
ATOM 553 C LEU A 76 -2.200 0.412 0.552 1.00 94.60 C
ATOM 554 CB LEU A 76 -0.961 0.208 -1.613 1.00 94.60 C
ATOM 555 O LEU A 76 -3.393 0.717 0.599 1.00 94.60 O
ATOM 556 CG LEU A 76 -0.144 0.825 -2.749 1.00 94.60 C
ATOM 557 CD1 LEU A 76 0.114 -0.210 -3.839 1.00 94.60 C
ATOM 558 CD2 LEU A 76 -0.860 2.044 -3.321 1.00 94.60 C
ATOM 559 N ALA A 77 -1.725 -0.530 1.271 1.00 96.89 N
ATOM 560 CA ALA A 77 -2.555 -1.249 2.234 1.00 96.89 C
ATOM 561 C ALA A 77 -3.126 -0.300 3.283 1.00 96.89 C
ATOM 562 CB ALA A 77 -1.750 -2.359 2.906 1.00 96.89 C
ATOM 563 O ALA A 77 -4.289 -0.425 3.675 1.00 96.89 O
ATOM 564 N ALA A 78 -2.342 0.672 3.692 1.00 96.98 N
ATOM 565 CA ALA A 78 -2.786 1.639 4.692 1.00 96.98 C
ATOM 566 C ALA A 78 -3.871 2.553 4.128 1.00 96.98 C
ATOM 567 CB ALA A 78 -1.606 2.467 5.194 1.00 96.98 C
ATOM 568 O ALA A 78 -4.860 2.844 4.804 1.00 96.98 O
ATOM 569 N ALA A 79 -3.679 2.931 2.961 1.00 94.05 N
ATOM 570 CA ALA A 79 -4.634 3.838 2.329 1.00 94.05 C
ATOM 571 C ALA A 79 -5.981 3.153 2.114 1.00 94.05 C
ATOM 572 CB ALA A 79 -4.082 4.350 1.001 1.00 94.05 C
ATOM 573 O ALA A 79 -7.032 3.786 2.235 1.00 94.05 O
ATOM 574 N ARG A 80 -5.904 1.844 1.910 1.00 93.59 N
ATOM 575 CA ARG A 80 -7.122 1.134 1.530 1.00 93.59 C
ATOM 576 C ARG A 80 -7.789 0.502 2.747 1.00 93.59 C
ATOM 577 CB ARG A 80 -6.815 0.061 0.484 1.00 93.59 C
ATOM 578 O ARG A 80 -8.904 -0.016 2.651 1.00 93.59 O
ATOM 579 CG ARG A 80 -6.407 0.619 -0.870 1.00 93.59 C
ATOM 580 CD ARG A 80 -7.590 1.232 -1.606 1.00 93.59 C
ATOM 581 NE ARG A 80 -8.555 0.217 -2.017 1.00 93.59 N
ATOM 582 NH1 ARG A 80 -9.338 1.401 -3.839 1.00 93.59 N
ATOM 583 NH2 ARG A 80 -10.204 -0.665 -3.350 1.00 93.59 N
ATOM 584 CZ ARG A 80 -9.364 0.320 -3.068 1.00 93.59 C
ATOM 585 N GLY A 81 -7.157 0.543 3.794 1.00 96.23 N
ATOM 586 CA GLY A 81 -7.762 0.067 5.028 1.00 96.23 C
ATOM 587 C GLY A 81 -7.631 -1.433 5.217 1.00 96.23 C
ATOM 588 O GLY A 81 -8.468 -2.056 5.873 1.00 96.23 O
ATOM 589 N HIS A 82 -6.655 -2.005 4.616 1.00 97.84 N
ATOM 590 CA HIS A 82 -6.436 -3.440 4.755 1.00 97.84 C
ATOM 591 C HIS A 82 -5.549 -3.748 5.957 1.00 97.84 C
ATOM 592 CB HIS A 82 -5.812 -4.012 3.481 1.00 97.84 C
ATOM 593 O HIS A 82 -4.354 -4.009 5.801 1.00 97.84 O
ATOM 594 CG HIS A 82 -6.650 -3.811 2.259 1.00 97.84 C
ATOM 595 CD2 HIS A 82 -6.321 -3.399 1.013 1.00 97.84 C
ATOM 596 ND1 HIS A 82 -8.009 -4.041 2.244 1.00 97.84 N
ATOM 597 CE1 HIS A 82 -8.480 -3.779 1.036 1.00 97.84 C
ATOM 598 NE2 HIS A 82 -7.476 -3.387 0.270 1.00 97.84 N
ATOM 599 N LEU A 83 -6.206 -3.865 7.101 1.00 98.93 N
ATOM 600 CA LEU A 83 -5.515 -3.941 8.384 1.00 98.93 C
ATOM 601 C LEU A 83 -4.624 -5.177 8.449 1.00 98.93 C
ATOM 602 CB LEU A 83 -6.524 -3.963 9.535 1.00 98.93 C
ATOM 603 O LEU A 83 -3.454 -5.085 8.826 1.00 98.93 O
ATOM 604 CG LEU A 83 -5.944 -4.119 10.942 1.00 98.93 C
ATOM 605 CD1 LEU A 83 -4.991 -2.969 11.253 1.00 98.93 C
ATOM 606 CD2 LEU A 83 -7.061 -4.189 11.977 1.00 98.93 C
ATOM 607 N GLU A 84 -5.161 -6.293 8.134 1.00 98.87 N
ATOM 608 CA GLU A 84 -4.364 -7.511 8.250 1.00 98.87 C
ATOM 609 C GLU A 84 -3.138 -7.457 7.344 1.00 98.87 C
ATOM 610 CB GLU A 84 -5.211 -8.742 7.917 1.00 98.87 C
ATOM 611 O GLU A 84 -2.061 -7.926 7.719 1.00 98.87 O
ATOM 612 CG GLU A 84 -6.301 -9.033 8.939 1.00 98.87 C
ATOM 613 CD GLU A 84 -7.169 -10.225 8.567 1.00 98.87 C
ATOM 614 OE1 GLU A 84 -7.152 -11.240 9.299 1.00 98.87 O
ATOM 615 OE2 GLU A 84 -7.871 -10.142 7.534 1.00 98.87 O
ATOM 616 N ILE A 85 -3.301 -6.852 6.175 1.00 98.93 N
ATOM 617 CA ILE A 85 -2.172 -6.746 5.257 1.00 98.93 C
ATOM 618 C ILE A 85 -1.146 -5.761 5.812 1.00 98.93 C
ATOM 619 CB ILE A 85 -2.630 -6.307 3.848 1.00 98.93 C
ATOM 620 O ILE A 85 0.061 -5.989 5.709 1.00 98.93 O
ATOM 621 CG1 ILE A 85 -3.418 -7.432 3.167 1.00 98.93 C
ATOM 622 CG2 ILE A 85 -1.428 -5.887 2.996 1.00 98.93 C
ATOM 623 CD1 ILE A 85 -4.025 -7.040 1.827 1.00 98.93 C
ATOM 624 N VAL A 86 -1.568 -4.726 6.442 1.00 98.94 N
ATOM 625 CA VAL A 86 -0.647 -3.793 7.083 1.00 98.94 C
ATOM 626 C VAL A 86 0.194 -4.529 8.123 1.00 98.94 C
ATOM 627 CB VAL A 86 -1.399 -2.615 7.742 1.00 98.94 C
ATOM 628 O VAL A 86 1.420 -4.393 8.148 1.00 98.94 O
ATOM 629 CG1 VAL A 86 -0.473 -1.838 8.676 1.00 98.94 C
ATOM 630 CG2 VAL A 86 -1.985 -1.693 6.675 1.00 98.94 C
ATOM 631 N GLU A 87 -0.425 -5.370 8.875 1.00 98.92 N
ATOM 632 CA GLU A 87 0.295 -6.100 9.913 1.00 98.92 C
ATOM 633 C GLU A 87 1.301 -7.074 9.306 1.00 98.92 C
ATOM 634 CB GLU A 87 -0.683 -6.852 10.820 1.00 98.92 C
ATOM 635 O GLU A 87 2.447 -7.151 9.755 1.00 98.92 O
ATOM 636 CG GLU A 87 -1.510 -5.944 11.718 1.00 98.92 C
ATOM 637 CD GLU A 87 -2.414 -6.707 12.674 1.00 98.92 C
ATOM 638 OE1 GLU A 87 -3.048 -6.072 13.547 1.00 98.92 O
ATOM 639 OE2 GLU A 87 -2.488 -7.950 12.549 1.00 98.92 O
ATOM 640 N VAL A 88 0.885 -7.731 8.326 1.00 98.92 N
ATOM 641 CA VAL A 88 1.761 -8.712 7.692 1.00 98.92 C
ATOM 642 C VAL A 88 2.961 -8.005 7.067 1.00 98.92 C
ATOM 643 CB VAL A 88 1.009 -9.535 6.622 1.00 98.92 C
ATOM 644 O VAL A 88 4.095 -8.477 7.180 1.00 98.92 O
ATOM 645 CG1 VAL A 88 1.995 -10.293 5.734 1.00 98.92 C
ATOM 646 CG2 VAL A 88 0.029 -10.501 7.284 1.00 98.92 C
ATOM 647 N LEU A 89 2.719 -6.870 6.406 1.00 98.95 N
ATOM 648 CA LEU A 89 3.819 -6.133 5.793 1.00 98.95 C
ATOM 649 C LEU A 89 4.789 -5.623 6.854 1.00 98.95 C
ATOM 650 CB LEU A 89 3.283 -4.959 4.968 1.00 98.95 C
ATOM 651 O LEU A 89 6.006 -5.697 6.674 1.00 98.95 O
ATOM 652 CG LEU A 89 2.539 -5.319 3.682 1.00 98.95 C
ATOM 653 CD1 LEU A 89 1.874 -4.080 3.090 1.00 98.95 C
ATOM 654 CD2 LEU A 89 3.490 -5.955 2.673 1.00 98.95 C
ATOM 655 N LEU A 90 4.266 -5.202 7.945 1.00 98.94 N
ATOM 656 CA LEU A 90 5.128 -4.708 9.013 1.00 98.94 C
ATOM 657 C LEU A 90 5.951 -5.842 9.615 1.00 98.94 C
ATOM 658 CB LEU A 90 4.296 -4.031 10.104 1.00 98.94 C
ATOM 659 O LEU A 90 7.150 -5.684 9.858 1.00 98.94 O
ATOM 660 CG LEU A 90 3.678 -2.679 9.745 1.00 98.94 C
ATOM 661 CD1 LEU A 90 2.660 -2.263 10.801 1.00 98.94 C
ATOM 662 CD2 LEU A 90 4.763 -1.618 9.593 1.00 98.94 C
ATOM 663 N LYS A 91 5.357 -6.932 9.782 1.00 98.66 N
ATOM 664 CA LYS A 91 6.074 -8.092 10.305 1.00 98.66 C
ATOM 665 C LYS A 91 7.178 -8.533 9.349 1.00 98.66 C
ATOM 666 CB LYS A 91 5.107 -9.250 10.560 1.00 98.66 C
ATOM 667 O LYS A 91 8.220 -9.029 9.782 1.00 98.66 O
ATOM 668 CG LYS A 91 5.746 -10.451 11.241 1.00 98.66 C
ATOM 669 CD LYS A 91 4.713 -11.518 11.577 1.00 98.66 C
ATOM 670 CE LYS A 91 5.354 -12.727 12.245 1.00 98.66 C
ATOM 671 NZ LYS A 91 4.338 -13.757 12.619 1.00 98.66 N
ATOM 672 N ALA A 92 6.993 -8.244 8.136 1.00 98.81 N
ATOM 673 CA ALA A 92 7.949 -8.674 7.119 1.00 98.81 C
ATOM 674 C ALA A 92 9.044 -7.630 6.919 1.00 98.81 C
ATOM 675 CB ALA A 92 7.233 -8.949 5.799 1.00 98.81 C
ATOM 676 O ALA A 92 9.910 -7.787 6.055 1.00 98.81 O
ATOM 677 N GLY A 93 9.009 -6.540 7.617 1.00 98.76 N
ATOM 678 CA GLY A 93 10.104 -5.583 7.593 1.00 98.76 C
ATOM 679 C GLY A 93 9.801 -4.351 6.762 1.00 98.76 C
ATOM 680 O GLY A 93 10.715 -3.639 6.341 1.00 98.76 O
ATOM 681 N ALA A 94 8.483 -4.145 6.505 1.00 98.92 N
ATOM 682 CA ALA A 94 8.138 -2.920 5.788 1.00 98.92 C
ATOM 683 C ALA A 94 8.588 -1.685 6.563 1.00 98.92 C
ATOM 684 CB ALA A 94 6.634 -2.862 5.528 1.00 98.92 C
ATOM 685 O ALA A 94 8.464 -1.634 7.789 1.00 98.92 O
ATOM 686 N ASP A 95 9.134 -0.677 5.814 1.00 98.92 N
ATOM 687 CA ASP A 95 9.487 0.607 6.410 1.00 98.92 C
ATOM 688 C ASP A 95 8.237 1.413 6.759 1.00 98.92 C
ATOM 689 CB ASP A 95 10.383 1.410 5.464 1.00 98.92 C
ATOM 690 O ASP A 95 7.558 1.931 5.871 1.00 98.92 O
ATOM 691 CG ASP A 95 10.838 2.731 6.058 1.00 98.92 C
ATOM 692 OD1 ASP A 95 10.539 3.004 7.240 1.00 98.92 O
ATOM 693 OD2 ASP A 95 11.499 3.508 5.335 1.00 98.92 O
ATOM 694 N VAL A 96 8.037 1.538 8.036 1.00 98.85 N
ATOM 695 CA VAL A 96 6.813 2.160 8.530 1.00 98.85 C
ATOM 696 C VAL A 96 6.806 3.644 8.172 1.00 98.85 C
ATOM 697 CB VAL A 96 6.661 1.979 10.057 1.00 98.85 C
ATOM 698 O VAL A 96 5.746 4.271 8.118 1.00 98.85 O
ATOM 699 CG1 VAL A 96 7.764 2.728 10.802 1.00 98.85 C
ATOM 700 CG2 VAL A 96 5.284 2.457 10.515 1.00 98.85 C
ATOM 701 N ASN A 97 7.977 4.231 7.882 1.00 98.83 N
ATOM 702 CA ASN A 97 8.085 5.665 7.631 1.00 98.83 C
ATOM 703 C ASN A 97 8.487 5.953 6.187 1.00 98.83 C
ATOM 704 CB ASN A 97 9.082 6.306 8.598 1.00 98.83 C
ATOM 705 O ASN A 97 9.062 7.003 5.896 1.00 98.83 O
ATOM 706 CG ASN A 97 8.543 6.407 10.011 1.00 98.83 C
ATOM 707 ND2 ASN A 97 9.378 6.079 10.990 1.00 98.83 N
ATOM 708 OD1 ASN A 97 7.384 6.775 10.222 1.00 98.83 O
ATOM 709 N ALA A 98 8.229 4.964 5.305 1.00 98.49 N
ATOM 710 CA ALA A 98 8.496 5.200 3.889 1.00 98.49 C
ATOM 711 C ALA A 98 7.723 6.412 3.379 1.00 98.49 C
ATOM 712 CB ALA A 98 8.142 3.962 3.068 1.00 98.49 C
ATOM 713 O ALA A 98 6.557 6.607 3.732 1.00 98.49 O
ATOM 714 N ARG A 99 8.396 7.229 2.491 1.00 95.93 N
ATOM 715 CA ARG A 99 7.764 8.417 1.927 1.00 95.93 C
ATOM 716 C ARG A 99 7.606 8.288 0.416 1.00 95.93 C
ATOM 717 CB ARG A 99 8.575 9.670 2.265 1.00 95.93 C
ATOM 718 O ARG A 99 8.525 7.840 -0.273 1.00 95.93 O
ATOM 719 CG ARG A 99 8.696 9.942 3.756 1.00 95.93 C
ATOM 720 CD ARG A 99 9.558 11.164 4.038 1.00 95.93 C
ATOM 721 NE ARG A 99 8.833 12.406 3.783 1.00 95.93 N
ATOM 722 NH1 ARG A 99 8.147 12.696 5.970 1.00 95.93 N
ATOM 723 NH2 ARG A 99 7.553 14.222 4.365 1.00 95.93 N
ATOM 724 CZ ARG A 99 8.180 13.105 4.707 1.00 95.93 C
ATOM 725 N ASP A 100 6.418 8.625 -0.009 1.00 92.29 N
ATOM 726 CA ASP A 100 6.246 8.711 -1.456 1.00 92.29 C
ATOM 727 C ASP A 100 6.680 10.078 -1.980 1.00 92.29 C
ATOM 728 CB ASP A 100 4.790 8.439 -1.840 1.00 92.29 C
ATOM 729 O ASP A 100 7.261 10.877 -1.242 1.00 92.29 O
ATOM 730 CG ASP A 100 3.842 9.534 -1.385 1.00 92.29 C
ATOM 731 OD1 ASP A 100 4.312 10.624 -0.992 1.00 92.29 O
ATOM 732 OD2 ASP A 100 2.613 9.305 -1.416 1.00 92.29 O
ATOM 733 N THR A 101 6.475 10.327 -3.222 1.00 90.99 N
ATOM 734 CA THR A 101 7.023 11.526 -3.847 1.00 90.99 C
ATOM 735 C THR A 101 6.344 12.779 -3.303 1.00 90.99 C
ATOM 736 CB THR A 101 6.867 11.478 -5.379 1.00 90.99 C
ATOM 737 O THR A 101 6.878 13.883 -3.423 1.00 90.99 O
ATOM 738 CG2 THR A 101 7.767 10.409 -5.990 1.00 90.99 C
ATOM 739 OG1 THR A 101 5.504 11.183 -5.705 1.00 90.99 O
ATOM 740 N SER A 102 5.240 12.605 -2.693 1.00 89.77 N
ATOM 741 CA SER A 102 4.560 13.734 -2.065 1.00 89.77 C
ATOM 742 C SER A 102 4.955 13.870 -0.598 1.00 89.77 C
ATOM 743 CB SER A 102 3.043 13.578 -2.180 1.00 89.77 C
ATOM 744 O SER A 102 4.498 14.786 0.090 1.00 89.77 O
ATOM 745 OG SER A 102 2.638 13.593 -3.538 1.00 89.77 O
ATOM 746 N GLY A 103 5.735 13.010 -0.174 1.00 91.27 N
ATOM 747 CA GLY A 103 6.177 13.037 1.211 1.00 91.27 C
ATOM 748 C GLY A 103 5.241 12.302 2.151 1.00 91.27 C
ATOM 749 O GLY A 103 5.465 12.273 3.363 1.00 91.27 O
ATOM 750 N ASP A 104 4.268 11.656 1.555 1.00 94.07 N
ATOM 751 CA ASP A 104 3.319 10.946 2.407 1.00 94.07 C
ATOM 752 C ASP A 104 3.914 9.636 2.919 1.00 94.07 C
ATOM 753 CB ASP A 104 2.018 10.672 1.649 1.00 94.07 C
ATOM 754 O ASP A 104 4.553 8.901 2.164 1.00 94.07 O
ATOM 755 CG ASP A 104 1.207 11.930 1.389 1.00 94.07 C
ATOM 756 OD1 ASP A 104 1.359 12.919 2.138 1.00 94.07 O
ATOM 757 OD2 ASP A 104 0.408 11.930 0.429 1.00 94.07 O
ATOM 758 N THR A 105 3.681 9.517 4.207 1.00 96.82 N
ATOM 759 CA THR A 105 3.936 8.219 4.822 1.00 96.82 C
ATOM 760 C THR A 105 2.659 7.385 4.874 1.00 96.82 C
ATOM 761 CB THR A 105 4.508 8.377 6.242 1.00 96.82 C
ATOM 762 O THR A 105 1.568 7.895 4.614 1.00 96.82 O
ATOM 763 CG2 THR A 105 5.692 9.338 6.255 1.00 96.82 C
ATOM 764 OG1 THR A 105 3.486 8.883 7.109 1.00 96.82 O
ATOM 765 N PRO A 106 2.849 6.074 5.233 1.00 97.84 N
ATOM 766 CA PRO A 106 1.623 5.295 5.420 1.00 97.84 C
ATOM 767 C PRO A 106 0.697 5.896 6.475 1.00 97.84 C
ATOM 768 CB PRO A 106 2.140 3.924 5.865 1.00 97.84 C
ATOM 769 O PRO A 106 -0.527 5.830 6.337 1.00 97.84 O
ATOM 770 CG PRO A 106 3.494 3.807 5.243 1.00 97.84 C
ATOM 771 CD PRO A 106 4.165 5.149 5.305 1.00 97.84 C
ATOM 772 N LEU A 107 1.230 6.538 7.414 1.00 98.60 N
ATOM 773 CA LEU A 107 0.422 7.149 8.463 1.00 98.60 C
ATOM 774 C LEU A 107 -0.381 8.324 7.916 1.00 98.60 C
ATOM 775 CB LEU A 107 1.310 7.617 9.620 1.00 98.60 C
ATOM 776 O LEU A 107 -1.546 8.508 8.278 1.00 98.60 O
ATOM 777 CG LEU A 107 0.586 8.169 10.849 1.00 98.60 C
ATOM 778 CD1 LEU A 107 -0.371 7.125 11.415 1.00 98.60 C
ATOM 779 CD2 LEU A 107 1.591 8.609 11.908 1.00 98.60 C
ATOM 780 N HIS A 108 0.239 9.094 7.067 1.00 95.96 N
ATOM 781 CA HIS A 108 -0.518 10.150 6.404 1.00 95.96 C
ATOM 782 C HIS A 108 -1.769 9.593 5.734 1.00 95.96 C
ATOM 783 CB HIS A 108 0.356 10.867 5.372 1.00 95.96 C
ATOM 784 O HIS A 108 -2.865 10.129 5.913 1.00 95.96 O
ATOM 785 CG HIS A 108 1.360 11.795 5.978 1.00 95.96 C
ATOM 786 CD2 HIS A 108 1.260 13.092 6.352 1.00 95.96 C
ATOM 787 ND1 HIS A 108 2.653 11.410 6.261 1.00 95.96 N
ATOM 788 CE1 HIS A 108 3.306 12.434 6.784 1.00 95.96 C
ATOM 789 NE2 HIS A 108 2.484 13.467 6.850 1.00 95.96 N
ATOM 790 N LEU A 109 -1.547 8.558 5.039 1.00 94.59 N
ATOM 791 CA LEU A 109 -2.624 8.017 4.218 1.00 94.59 C
ATOM 792 C LEU A 109 -3.706 7.385 5.087 1.00 94.59 C
ATOM 793 CB LEU A 109 -2.078 6.982 3.230 1.00 94.59 C
ATOM 794 O LEU A 109 -4.898 7.578 4.840 1.00 94.59 O
ATOM 795 CG LEU A 109 -1.029 7.482 2.236 1.00 94.59 C
ATOM 796 CD1 LEU A 109 -0.581 6.345 1.323 1.00 94.59 C
ATOM 797 CD2 LEU A 109 -1.578 8.646 1.419 1.00 94.59 C
ATOM 798 N ALA A 110 -3.325 6.633 6.062 1.00 96.44 N
ATOM 799 CA ALA A 110 -4.297 6.017 6.963 1.00 96.44 C
ATOM 800 C ALA A 110 -5.119 7.078 7.689 1.00 96.44 C
ATOM 801 CB ALA A 110 -3.591 5.113 7.970 1.00 96.44 C
ATOM 802 O ALA A 110 -6.334 6.934 7.841 1.00 96.44 O
ATOM 803 N ALA A 111 -4.461 8.131 8.109 1.00 96.69 N
ATOM 804 CA ALA A 111 -5.141 9.212 8.817 1.00 96.69 C
ATOM 805 C ALA A 111 -6.124 9.935 7.900 1.00 96.69 C
ATOM 806 CB ALA A 111 -4.124 10.199 9.385 1.00 96.69 C
ATOM 807 O ALA A 111 -7.257 10.220 8.296 1.00 96.69 O
ATOM 808 N MET A 112 -5.672 10.183 6.770 1.00 93.95 N
ATOM 809 CA MET A 112 -6.489 10.899 5.794 1.00 93.95 C
ATOM 810 C MET A 112 -7.736 10.097 5.435 1.00 93.95 C
ATOM 811 CB MET A 112 -5.680 11.201 4.532 1.00 93.95 C
ATOM 812 O MET A 112 -8.831 10.654 5.340 1.00 93.95 O
ATOM 813 CG MET A 112 -6.462 11.953 3.467 1.00 93.95 C
ATOM 814 SD MET A 112 -5.470 12.266 1.956 1.00 93.95 S
ATOM 815 CE MET A 112 -5.613 10.651 1.140 1.00 93.95 C
ATOM 816 N GLN A 113 -7.554 8.790 5.280 1.00 93.60 N
ATOM 817 CA GLN A 113 -8.630 7.935 4.790 1.00 93.60 C
ATOM 818 C GLN A 113 -9.513 7.450 5.936 1.00 93.60 C
ATOM 819 CB GLN A 113 -8.061 6.740 4.023 1.00 93.60 C
ATOM 820 O GLN A 113 -10.544 6.814 5.706 1.00 93.60 O
ATOM 821 CG GLN A 113 -7.308 7.124 2.757 1.00 93.60 C
ATOM 822 CD GLN A 113 -8.217 7.691 1.682 1.00 93.60 C
ATOM 823 NE2 GLN A 113 -7.623 8.318 0.673 1.00 93.60 N
ATOM 824 OE1 GLN A 113 -9.443 7.564 1.758 1.00 93.60 O
ATOM 825 N GLY A 114 -9.175 7.708 7.160 1.00 96.13 N
ATOM 826 CA GLY A 114 -10.032 7.438 8.303 1.00 96.13 C
ATOM 827 C GLY A 114 -9.906 6.018 8.821 1.00 96.13 C
ATOM 828 O GLY A 114 -10.870 5.452 9.341 1.00 96.13 O
ATOM 829 N HIS A 115 -8.805 5.401 8.659 1.00 97.77 N
ATOM 830 CA HIS A 115 -8.585 4.037 9.127 1.00 97.77 C
ATOM 831 C HIS A 115 -7.915 4.026 10.497 1.00 97.77 C
ATOM 832 CB HIS A 115 -7.737 3.256 8.122 1.00 97.77 C
ATOM 833 O HIS A 115 -6.704 3.819 10.599 1.00 97.77 O
ATOM 834 CG HIS A 115 -8.341 3.182 6.756 1.00 97.77 C
ATOM 835 CD2 HIS A 115 -7.830 3.487 5.540 1.00 97.77 C
ATOM 836 ND1 HIS A 115 -9.632 2.752 6.536 1.00 97.77 N
ATOM 837 CE1 HIS A 115 -9.888 2.795 5.239 1.00 97.77 C
ATOM 838 NE2 HIS A 115 -8.812 3.238 4.613 1.00 97.77 N
ATOM 839 N LEU A 116 -8.737 4.137 11.522 1.00 98.89 N
ATOM 840 CA LEU A 116 -8.281 4.339 12.893 1.00 98.89 C
ATOM 841 C LEU A 116 -7.428 3.164 13.360 1.00 98.89 C
ATOM 842 CB LEU A 116 -9.474 4.524 13.834 1.00 98.89 C
ATOM 843 O LEU A 116 -6.358 3.361 13.942 1.00 98.89 O
ATOM 844 CG LEU A 116 -9.149 4.680 15.320 1.00 98.89 C
ATOM 845 CD1 LEU A 116 -8.195 5.851 15.533 1.00 98.89 C
ATOM 846 CD2 LEU A 116 -10.426 4.870 16.130 1.00 98.89 C
ATOM 847 N GLU A 117 -7.897 1.979 13.159 1.00 98.82 N
ATOM 848 CA GLU A 117 -7.131 0.836 13.647 1.00 98.82 C
ATOM 849 C GLU A 117 -5.750 0.780 12.999 1.00 98.82 C
ATOM 850 CB GLU A 117 -7.887 -0.469 13.388 1.00 98.82 C
ATOM 851 O GLU A 117 -4.767 0.422 13.650 1.00 98.82 O
ATOM 852 CG GLU A 117 -9.161 -0.615 14.208 1.00 98.82 C
ATOM 853 CD GLU A 117 -9.920 -1.899 13.914 1.00 98.82 C
ATOM 854 OE1 GLU A 117 -10.935 -2.173 14.594 1.00 98.82 O
ATOM 855 OE2 GLU A 117 -9.495 -2.638 12.998 1.00 98.82 O
ATOM 856 N ILE A 118 -5.692 1.167 11.724 1.00 98.91 N
ATOM 857 CA ILE A 118 -4.406 1.155 11.036 1.00 98.91 C
ATOM 858 C ILE A 118 -3.515 2.267 11.587 1.00 98.91 C
ATOM 859 CB ILE A 118 -4.580 1.314 9.509 1.00 98.91 C
ATOM 860 O ILE A 118 -2.309 2.076 11.760 1.00 98.91 O
ATOM 861 CG1 ILE A 118 -5.205 0.050 8.908 1.00 98.91 C
ATOM 862 CG2 ILE A 118 -3.238 1.632 8.843 1.00 98.91 C
ATOM 863 CD1 ILE A 118 -5.537 0.168 7.427 1.00 98.91 C
ATOM 864 N VAL A 119 -4.092 3.372 11.907 1.00 98.89 N
ATOM 865 CA VAL A 119 -3.335 4.448 12.538 1.00 98.89 C
ATOM 866 C VAL A 119 -2.707 3.945 13.836 1.00 98.89 C
ATOM 867 CB VAL A 119 -4.225 5.679 12.818 1.00 98.89 C
ATOM 868 O VAL A 119 -1.510 4.132 14.067 1.00 98.89 O
ATOM 869 CG1 VAL A 119 -3.541 6.627 13.803 1.00 98.89 C
ATOM 870 CG2 VAL A 119 -4.556 6.405 11.516 1.00 98.89 C
ATOM 871 N GLU A 120 -3.417 3.247 14.595 1.00 98.79 N
ATOM 872 CA GLU A 120 -2.908 2.745 15.868 1.00 98.79 C
ATOM 873 C GLU A 120 -1.797 1.722 15.653 1.00 98.79 C
ATOM 874 CB GLU A 120 -4.040 2.127 16.693 1.00 98.79 C
ATOM 875 O GLU A 120 -0.772 1.758 16.336 1.00 98.79 O
ATOM 876 CG GLU A 120 -5.068 3.137 17.180 1.00 98.79 C
ATOM 877 CD GLU A 120 -6.195 2.506 17.984 1.00 98.79 C
ATOM 878 OE1 GLU A 120 -6.970 3.248 18.629 1.00 98.79 O
ATOM 879 OE2 GLU A 120 -6.302 1.259 17.969 1.00 98.79 O
ATOM 880 N VAL A 121 -1.975 0.862 14.739 1.00 98.90 N
ATOM 881 CA VAL A 121 -0.975 -0.163 14.459 1.00 98.90 C
ATOM 882 C VAL A 121 0.315 0.494 13.971 1.00 98.90 C
ATOM 883 CB VAL A 121 -1.483 -1.181 13.414 1.00 98.90 C
ATOM 884 O VAL A 121 1.409 0.120 14.399 1.00 98.90 O
ATOM 885 CG1 VAL A 121 -0.322 -1.996 12.846 1.00 98.90 C
ATOM 886 CG2 VAL A 121 -2.533 -2.101 14.033 1.00 98.90 C
ATOM 887 N LEU A 122 0.178 1.486 13.095 1.00 98.92 N
ATOM 888 CA LEU A 122 1.371 2.159 12.595 1.00 98.92 C
ATOM 889 C LEU A 122 2.106 2.875 13.723 1.00 98.92 C
ATOM 890 CB LEU A 122 1.002 3.159 11.496 1.00 98.92 C
ATOM 891 O LEU A 122 3.336 2.824 13.800 1.00 98.92 O
ATOM 892 CG LEU A 122 0.519 2.565 10.172 1.00 98.92 C
ATOM 893 CD1 LEU A 122 -0.020 3.664 9.263 1.00 98.92 C
ATOM 894 CD2 LEU A 122 1.647 1.801 9.486 1.00 98.92 C
ATOM 895 N LEU A 123 1.376 3.451 14.603 1.00 98.64 N
ATOM 896 CA LEU A 123 2.001 4.129 15.733 1.00 98.64 C
ATOM 897 C LEU A 123 2.732 3.133 16.627 1.00 98.64 C
ATOM 898 CB LEU A 123 0.951 4.889 16.549 1.00 98.64 C
ATOM 899 O LEU A 123 3.857 3.392 17.062 1.00 98.64 O
ATOM 900 CG LEU A 123 0.350 6.131 15.889 1.00 98.64 C
ATOM 901 CD1 LEU A 123 -0.765 6.705 16.757 1.00 98.64 C
ATOM 902 CD2 LEU A 123 1.430 7.178 15.636 1.00 98.64 C
ATOM 903 N LYS A 124 2.139 2.043 16.801 1.00 98.07 N
ATOM 904 CA LYS A 124 2.756 1.011 17.630 1.00 98.07 C
ATOM 905 C LYS A 124 4.061 0.517 17.011 1.00 98.07 C
ATOM 906 CB LYS A 124 1.795 -0.162 17.831 1.00 98.07 C
ATOM 907 O LYS A 124 4.948 0.038 17.720 1.00 98.07 O
ATOM 908 CG LYS A 124 0.671 0.122 18.817 1.00 98.07 C
ATOM 909 CD LYS A 124 -0.291 -1.055 18.921 1.00 98.07 C
ATOM 910 CE LYS A 124 -1.498 -0.716 19.786 1.00 98.07 C
ATOM 911 NZ LYS A 124 -2.485 -1.836 19.821 1.00 98.07 N
ATOM 912 N HIS A 125 4.175 0.666 15.765 1.00 98.59 N
ATOM 913 CA HIS A 125 5.366 0.171 15.084 1.00 98.59 C
ATOM 914 C HIS A 125 6.334 1.307 14.772 1.00 98.59 C
ATOM 915 CB HIS A 125 4.981 -0.560 13.796 1.00 98.59 C
ATOM 916 O HIS A 125 7.193 1.173 13.897 1.00 98.59 O
ATOM 917 CG HIS A 125 4.417 -1.925 14.026 1.00 98.59 C
ATOM 918 CD2 HIS A 125 5.009 -3.143 14.032 1.00 98.59 C
ATOM 919 ND1 HIS A 125 3.081 -2.144 14.286 1.00 98.59 N
ATOM 920 CE1 HIS A 125 2.876 -3.441 14.444 1.00 98.59 C
ATOM 921 NE2 HIS A 125 4.030 -4.069 14.294 1.00 98.59 N
ATOM 922 N GLY A 126 6.192 2.472 15.377 1.00 97.96 N
ATOM 923 CA GLY A 126 7.214 3.506 15.341 1.00 97.96 C
ATOM 924 C GLY A 126 6.989 4.530 14.244 1.00 97.96 C
ATOM 925 O GLY A 126 7.921 5.227 13.838 1.00 97.96 O
ATOM 926 N ALA A 127 5.727 4.620 13.769 1.00 98.73 N
ATOM 927 CA ALA A 127 5.451 5.674 12.796 1.00 98.73 C
ATOM 928 C ALA A 127 5.704 7.054 13.396 1.00 98.73 C
ATOM 929 CB ALA A 127 4.013 5.571 12.293 1.00 98.73 C
ATOM 930 O ALA A 127 5.358 7.307 14.552 1.00 98.73 O
ATOM 931 N ASP A 128 6.310 7.949 12.548 1.00 98.56 N
ATOM 932 CA ASP A 128 6.560 9.324 12.968 1.00 98.56 C
ATOM 933 C ASP A 128 5.287 10.164 12.887 1.00 98.56 C
ATOM 934 CB ASP A 128 7.661 9.955 12.114 1.00 98.56 C
ATOM 935 O ASP A 128 4.860 10.549 11.796 1.00 98.56 O
ATOM 936 CG ASP A 128 8.005 11.371 12.541 1.00 98.56 C
ATOM 937 OD1 ASP A 128 7.465 11.849 13.561 1.00 98.56 O
ATOM 938 OD2 ASP A 128 8.822 12.017 11.848 1.00 98.56 O
ATOM 939 N VAL A 129 4.786 10.442 14.077 1.00 98.33 N
ATOM 940 CA VAL A 129 3.499 11.123 14.176 1.00 98.33 C
ATOM 941 C VAL A 129 3.630 12.553 13.656 1.00 98.33 C
ATOM 942 CB VAL A 129 2.970 11.129 15.628 1.00 98.33 C
ATOM 943 O VAL A 129 2.643 13.159 13.234 1.00 98.33 O
ATOM 944 CG1 VAL A 129 3.905 11.922 16.539 1.00 98.33 C
ATOM 945 CG2 VAL A 129 1.556 11.705 15.677 1.00 98.33 C
ATOM 946 N ASN A 130 4.892 13.071 13.606 1.00 97.62 N
ATOM 947 CA ASN A 130 5.107 14.470 13.250 1.00 97.62 C
ATOM 948 C ASN A 130 5.659 14.609 11.833 1.00 97.62 C
ATOM 949 CB ASN A 130 6.047 15.141 14.254 1.00 97.62 C
ATOM 950 O ASN A 130 6.075 15.696 11.429 1.00 97.62 O
ATOM 951 CG ASN A 130 5.433 15.267 15.634 1.00 97.62 C
ATOM 952 ND2 ASN A 130 6.217 14.965 16.662 1.00 97.62 N
ATOM 953 OD1 ASN A 130 4.263 15.632 15.775 1.00 97.62 O
ATOM 954 N ALA A 131 5.728 13.526 11.115 1.00 97.89 N
ATOM 955 CA ALA A 131 6.228 13.603 9.745 1.00 97.89 C
ATOM 956 C ALA A 131 5.406 14.586 8.916 1.00 97.89 C
ATOM 957 CB ALA A 131 6.214 12.222 9.094 1.00 97.89 C
ATOM 958 O ALA A 131 4.174 14.584 8.981 1.00 97.89 O
ATOM 959 N GLN A 132 6.120 15.397 8.130 1.00 97.53 N
ATOM 960 CA GLN A 132 5.435 16.349 7.261 1.00 97.53 C
ATOM 961 C GLN A 132 5.563 15.945 5.795 1.00 97.53 C
ATOM 962 CB GLN A 132 5.988 17.759 7.468 1.00 97.53 C
ATOM 963 O GLN A 132 6.628 15.504 5.357 1.00 97.53 O
ATOM 964 CG GLN A 132 5.757 18.312 8.867 1.00 97.53 C
ATOM 965 CD GLN A 132 6.307 19.715 9.043 1.00 97.53 C
ATOM 966 NE2 GLN A 132 5.566 20.558 9.755 1.00 97.53 N
ATOM 967 OE1 GLN A 132 7.390 20.038 8.544 1.00 97.53 O
ATOM 968 N ASP A 133 4.381 16.037 5.103 1.00 92.18 N
ATOM 969 CA ASP A 133 4.452 15.816 3.662 1.00 92.18 C
ATOM 970 C ASP A 133 4.999 17.047 2.943 1.00 92.18 C
ATOM 971 CB ASP A 133 3.073 15.452 3.106 1.00 92.18 C
ATOM 972 O ASP A 133 5.516 17.966 3.581 1.00 92.18 O
ATOM 973 CG ASP A 133 2.064 16.579 3.238 1.00 92.18 C
ATOM 974 OD1 ASP A 133 2.473 17.744 3.436 1.00 92.18 O
ATOM 975 OD2 ASP A 133 0.849 16.300 3.146 1.00 92.18 O
ATOM 976 N LYS A 134 5.006 17.010 1.635 1.00 91.61 N
ATOM 977 CA LYS A 134 5.646 18.063 0.853 1.00 91.61 C
ATOM 978 C LYS A 134 4.925 19.397 1.033 1.00 91.61 C
ATOM 979 CB LYS A 134 5.683 17.684 -0.629 1.00 91.61 C
ATOM 980 O LYS A 134 5.462 20.450 0.683 1.00 91.61 O
ATOM 981 CG LYS A 134 4.315 17.652 -1.294 1.00 91.61 C
ATOM 982 CD LYS A 134 4.418 17.274 -2.766 1.00 91.61 C
ATOM 983 CE LYS A 134 3.060 17.318 -3.452 1.00 91.61 C
ATOM 984 NZ LYS A 134 3.164 17.007 -4.909 1.00 91.61 N
ATOM 985 N PHE A 135 3.738 19.320 1.597 1.00 93.25 N
ATOM 986 CA PHE A 135 2.966 20.538 1.816 1.00 93.25 C
ATOM 987 C PHE A 135 3.047 20.977 3.273 1.00 93.25 C
ATOM 988 CB PHE A 135 1.503 20.328 1.412 1.00 93.25 C
ATOM 989 O PHE A 135 2.376 21.928 3.679 1.00 93.25 O
ATOM 990 CG PHE A 135 1.326 19.872 -0.012 1.00 93.25 C
ATOM 991 CD1 PHE A 135 1.525 20.752 -1.068 1.00 93.25 C
ATOM 992 CD2 PHE A 135 0.960 18.562 -0.293 1.00 93.25 C
ATOM 993 CE1 PHE A 135 1.362 20.333 -2.386 1.00 93.25 C
ATOM 994 CE2 PHE A 135 0.795 18.136 -1.608 1.00 93.25 C
ATOM 995 CZ PHE A 135 0.996 19.023 -2.653 1.00 93.25 C
ATOM 996 N GLY A 136 3.751 20.274 4.007 1.00 95.26 N
ATOM 997 CA GLY A 136 3.924 20.599 5.413 1.00 95.26 C
ATOM 998 C GLY A 136 2.827 20.035 6.296 1.00 95.26 C
ATOM 999 O GLY A 136 2.709 20.410 7.464 1.00 95.26 O
ATOM 1000 N LYS A 137 2.081 19.153 5.718 1.00 95.37 N
ATOM 1001 CA LYS A 137 0.978 18.588 6.489 1.00 95.37 C
ATOM 1002 C LYS A 137 1.411 17.321 7.221 1.00 95.37 C
ATOM 1003 CB LYS A 137 -0.214 18.285 5.579 1.00 95.37 C
ATOM 1004 O LYS A 137 2.059 16.450 6.636 1.00 95.37 O
ATOM 1005 CG LYS A 137 -0.815 19.516 4.917 1.00 95.37 C
ATOM 1006 CD LYS A 137 -1.625 20.344 5.906 1.00 95.37 C
ATOM 1007 CE LYS A 137 -2.409 21.445 5.206 1.00 95.37 C
ATOM 1008 NZ LYS A 137 -3.346 22.138 6.140 1.00 95.37 N
ATOM 1009 N THR A 138 0.957 17.290 8.482 1.00 97.42 N
ATOM 1010 CA THR A 138 1.159 16.082 9.274 1.00 97.42 C
ATOM 1011 C THR A 138 -0.042 15.148 9.153 1.00 97.42 C
ATOM 1012 CB THR A 138 1.402 16.420 10.757 1.00 97.42 C
ATOM 1013 O THR A 138 -1.086 15.536 8.626 1.00 97.42 O
ATOM 1014 CG2 THR A 138 2.533 17.433 10.912 1.00 97.42 C
ATOM 1015 OG1 THR A 138 0.204 16.969 11.319 1.00 97.42 O
ATOM 1016 N PRO A 139 0.178 13.954 9.695 1.00 98.07 N
ATOM 1017 CA PRO A 139 -1.002 13.085 9.721 1.00 98.07 C
ATOM 1018 C PRO A 139 -2.163 13.690 10.508 1.00 98.07 C
ATOM 1019 CB PRO A 139 -0.488 11.812 10.399 1.00 98.07 C
ATOM 1020 O PRO A 139 -3.324 13.523 10.128 1.00 98.07 O
ATOM 1021 CG PRO A 139 0.973 11.774 10.082 1.00 98.07 C
ATOM 1022 CD PRO A 139 1.509 13.176 10.133 1.00 98.07 C
ATOM 1023 N PHE A 140 -1.899 14.423 11.555 1.00 98.49 N
ATOM 1024 CA PHE A 140 -2.921 15.122 12.324 1.00 98.49 C
ATOM 1025 C PHE A 140 -3.666 16.124 11.450 1.00 98.49 C
ATOM 1026 CB PHE A 140 -2.296 15.836 13.527 1.00 98.49 C
ATOM 1027 O PHE A 140 -4.899 16.152 11.442 1.00 98.49 O
ATOM 1028 CG PHE A 140 -3.254 16.730 14.267 1.00 98.49 C
ATOM 1029 CD1 PHE A 140 -3.330 18.086 13.972 1.00 98.49 C
ATOM 1030 CD2 PHE A 140 -4.079 16.214 15.257 1.00 98.49 C
ATOM 1031 CE1 PHE A 140 -4.216 18.916 14.656 1.00 98.49 C
ATOM 1032 CE2 PHE A 140 -4.967 17.037 15.945 1.00 98.49 C
ATOM 1033 CZ PHE A 140 -5.033 18.388 15.643 1.00 98.49 C
ATOM 1034 N ASP A 141 -2.848 16.849 10.718 1.00 96.85 N
ATOM 1035 CA ASP A 141 -3.454 17.842 9.835 1.00 96.85 C
ATOM 1036 C ASP A 141 -4.398 17.182 8.833 1.00 96.85 C
ATOM 1037 CB ASP A 141 -2.374 18.634 9.097 1.00 96.85 C
ATOM 1038 O ASP A 141 -5.498 17.681 8.585 1.00 96.85 O
ATOM 1039 CG ASP A 141 -1.472 19.421 10.032 1.00 96.85 C
ATOM 1040 OD1 ASP A 141 -1.959 19.929 11.065 1.00 96.85 O
ATOM 1041 OD2 ASP A 141 -0.264 19.535 9.732 1.00 96.85 O
ATOM 1042 N LEU A 142 -3.959 16.060 8.274 1.00 94.78 N
ATOM 1043 CA LEU A 142 -4.777 15.385 7.273 1.00 94.78 C
ATOM 1044 C LEU A 142 -6.032 14.792 7.907 1.00 94.78 C
ATOM 1045 CB LEU A 142 -3.973 14.283 6.578 1.00 94.78 C
ATOM 1046 O LEU A 142 -7.103 14.798 7.296 1.00 94.78 O
ATOM 1047 CG LEU A 142 -2.811 14.744 5.698 1.00 94.78 C
ATOM 1048 CD1 LEU A 142 -2.173 13.551 4.993 1.00 94.78 C
ATOM 1049 CD2 LEU A 142 -3.286 15.779 4.684 1.00 94.78 C
ATOM 1050 N ALA A 143 -5.918 14.286 9.088 1.00 97.07 N
ATOM 1051 CA ALA A 143 -7.090 13.768 9.789 1.00 97.07 C
ATOM 1052 C ALA A 143 -8.126 14.866 10.010 1.00 97.07 C
ATOM 1053 CB ALA A 143 -6.681 13.150 11.124 1.00 97.07 C
ATOM 1054 O ALA A 143 -9.317 14.664 9.760 1.00 97.07 O
ATOM 1055 N ILE A 144 -7.686 16.028 10.388 1.00 97.96 N
ATOM 1056 CA ILE A 144 -8.585 17.153 10.622 1.00 97.96 C
ATOM 1057 C ILE A 144 -9.211 17.597 9.302 1.00 97.96 C
ATOM 1058 CB ILE A 144 -7.848 18.336 11.291 1.00 97.96 C
ATOM 1059 O ILE A 144 -10.430 17.759 9.210 1.00 97.96 O
ATOM 1060 CG1 ILE A 144 -7.386 17.949 12.700 1.00 97.96 C
ATOM 1061 CG2 ILE A 144 -8.744 19.577 11.330 1.00 97.96 C
ATOM 1062 CD1 ILE A 144 -8.525 17.655 13.667 1.00 97.96 C
ATOM 1063 N ASP A 145 -8.358 17.702 8.379 1.00 94.62 N
ATOM 1064 CA ASP A 145 -8.829 18.178 7.082 1.00 94.62 C
ATOM 1065 C ASP A 145 -9.916 17.263 6.523 1.00 94.62 C
ATOM 1066 CB ASP A 145 -7.666 18.279 6.093 1.00 94.62 C
ATOM 1067 O ASP A 145 -10.788 17.712 5.775 1.00 94.62 O
ATOM 1068 CG ASP A 145 -6.753 19.461 6.369 1.00 94.62 C
ATOM 1069 OD1 ASP A 145 -7.102 20.318 7.208 1.00 94.62 O
ATOM 1070 OD2 ASP A 145 -5.675 19.536 5.740 1.00 94.62 O
ATOM 1071 N ASN A 146 -9.872 16.055 6.908 1.00 94.05 N
ATOM 1072 CA ASN A 146 -10.798 15.092 6.320 1.00 94.05 C
ATOM 1073 C ASN A 146 -11.868 14.661 7.319 1.00 94.05 C
ATOM 1074 CB ASN A 146 -10.040 13.871 5.794 1.00 94.05 C
ATOM 1075 O ASN A 146 -12.566 13.670 7.098 1.00 94.05 O
ATOM 1076 CG ASN A 146 -9.312 14.150 4.494 1.00 94.05 C
ATOM 1077 ND2 ASN A 146 -8.040 14.516 4.594 1.00 94.05 N
ATOM 1078 OD1 ASN A 146 -9.889 14.039 3.409 1.00 94.05 O
ATOM 1079 N GLY A 147 -11.976 15.313 8.429 1.00 96.24 N
ATOM 1080 CA GLY A 147 -13.069 15.137 9.373 1.00 96.24 C
ATOM 1081 C GLY A 147 -12.923 13.894 10.230 1.00 96.24 C
ATOM 1082 O GLY A 147 -13.904 13.401 10.791 1.00 96.24 O
ATOM 1083 N ASN A 148 -11.824 13.336 10.222 1.00 97.30 N
ATOM 1084 CA ASN A 148 -11.537 12.176 11.060 1.00 97.30 C
ATOM 1085 C ASN A 148 -11.087 12.592 12.458 1.00 97.30 C
ATOM 1086 CB ASN A 148 -10.477 11.289 10.404 1.00 97.30 C
ATOM 1087 O ASN A 148 -9.934 12.375 12.835 1.00 97.30 O
ATOM 1088 CG ASN A 148 -10.906 10.776 9.044 1.00 97.30 C
ATOM 1089 ND2 ASN A 148 -9.963 10.707 8.112 1.00 97.30 N
ATOM 1090 OD1 ASN A 148 -12.075 10.444 8.832 1.00 97.30 O
ATOM 1091 N GLU A 149 -12.058 13.063 13.257 1.00 98.16 N
ATOM 1092 CA GLU A 149 -11.756 13.703 14.534 1.00 98.16 C
ATOM 1093 C GLU A 149 -11.245 12.687 15.553 1.00 98.16 C
ATOM 1094 CB GLU A 149 -12.992 14.421 15.082 1.00 98.16 C
ATOM 1095 O GLU A 149 -10.397 13.010 16.388 1.00 98.16 O
ATOM 1096 CG GLU A 149 -13.421 15.624 14.254 1.00 98.16 C
ATOM 1097 CD GLU A 149 -14.653 16.323 14.806 1.00 98.16 C
ATOM 1098 OE1 GLU A 149 -15.099 17.328 14.207 1.00 98.16 O
ATOM 1099 OE2 GLU A 149 -15.174 15.864 15.846 1.00 98.16 O
ATOM 1100 N ASP A 150 -11.829 11.546 15.488 1.00 98.33 N
ATOM 1101 CA ASP A 150 -11.333 10.534 16.416 1.00 98.33 C
ATOM 1102 C ASP A 150 -9.866 10.211 16.144 1.00 98.33 C
ATOM 1103 CB ASP A 150 -12.177 9.261 16.325 1.00 98.33 C
ATOM 1104 O ASP A 150 -9.076 10.051 17.077 1.00 98.33 O
ATOM 1105 CG ASP A 150 -12.272 8.713 14.912 1.00 98.33 C
ATOM 1106 OD1 ASP A 150 -11.981 9.454 13.949 1.00 98.33 O
ATOM 1107 OD2 ASP A 150 -12.643 7.529 14.760 1.00 98.33 O
ATOM 1108 N ILE A 151 -9.519 10.136 14.860 1.00 98.71 N
ATOM 1109 CA ILE A 151 -8.134 9.872 14.488 1.00 98.71 C
ATOM 1110 C ILE A 151 -7.262 11.068 14.862 1.00 98.71 C
ATOM 1111 CB ILE A 151 -8.003 9.564 12.979 1.00 98.71 C
ATOM 1112 O ILE A 151 -6.144 10.900 15.356 1.00 98.71 O
ATOM 1113 CG1 ILE A 151 -8.621 8.199 12.657 1.00 98.71 C
ATOM 1114 CG2 ILE A 151 -6.536 9.618 12.543 1.00 98.71 C
ATOM 1115 CD1 ILE A 151 -8.709 7.895 11.168 1.00 98.71 C
ATOM 1116 N ALA A 152 -7.735 12.241 14.708 1.00 98.67 N
ATOM 1117 CA ALA A 152 -6.990 13.435 15.098 1.00 98.67 C
ATOM 1118 C ALA A 152 -6.669 13.420 16.589 1.00 98.67 C
ATOM 1119 CB ALA A 152 -7.778 14.693 14.740 1.00 98.67 C
ATOM 1120 O ALA A 152 -5.554 13.758 16.994 1.00 98.67 O
ATOM 1121 N GLU A 153 -7.617 13.007 17.310 1.00 98.22 N
ATOM 1122 CA GLU A 153 -7.396 12.946 18.751 1.00 98.22 C
ATOM 1123 C GLU A 153 -6.292 11.950 19.098 1.00 98.22 C
ATOM 1124 CB GLU A 153 -8.690 12.572 19.479 1.00 98.22 C
ATOM 1125 O GLU A 153 -5.419 12.244 19.918 1.00 98.22 O
ATOM 1126 CG GLU A 153 -8.578 12.619 20.996 1.00 98.22 C
ATOM 1127 CD GLU A 153 -9.892 12.327 21.703 1.00 98.22 C
ATOM 1128 OE1 GLU A 153 -9.903 12.243 22.952 1.00 98.22 O
ATOM 1129 OE2 GLU A 153 -10.919 12.181 21.003 1.00 98.22 O
ATOM 1130 N VAL A 154 -6.314 10.814 18.520 1.00 98.43 N
ATOM 1131 CA VAL A 154 -5.310 9.782 18.755 1.00 98.43 C
ATOM 1132 C VAL A 154 -3.930 10.304 18.359 1.00 98.43 C
ATOM 1133 CB VAL A 154 -5.633 8.487 17.975 1.00 98.43 C
ATOM 1134 O VAL A 154 -2.955 10.114 19.089 1.00 98.43 O
ATOM 1135 CG1 VAL A 154 -4.440 7.534 17.992 1.00 98.43 C
ATOM 1136 CG2 VAL A 154 -6.871 7.809 18.559 1.00 98.43 C
ATOM 1137 N LEU A 155 -3.876 10.982 17.281 1.00 98.65 N
ATOM 1138 CA LEU A 155 -2.600 11.497 16.795 1.00 98.65 C
ATOM 1139 C LEU A 155 -2.082 12.609 17.701 1.00 98.65 C
ATOM 1140 CB LEU A 155 -2.742 12.015 15.362 1.00 98.65 C
ATOM 1141 O LEU A 155 -0.878 12.704 17.948 1.00 98.65 O
ATOM 1142 CG LEU A 155 -2.966 10.959 14.278 1.00 98.65 C
ATOM 1143 CD1 LEU A 155 -3.386 11.623 12.970 1.00 98.65 C
ATOM 1144 CD2 LEU A 155 -1.707 10.122 14.078 1.00 98.65 C
ATOM 1145 N GLN A 156 -2.948 13.428 18.160 1.00 97.84 N
ATOM 1146 CA GLN A 156 -2.559 14.498 19.072 1.00 97.84 C
ATOM 1147 C GLN A 156 -1.969 13.934 20.362 1.00 97.84 C
ATOM 1148 CB GLN A 156 -3.757 15.394 19.391 1.00 97.84 C
ATOM 1149 O GLN A 156 -0.947 14.423 20.849 1.00 97.84 O
ATOM 1150 CG GLN A 156 -3.388 16.672 20.132 1.00 97.84 C
ATOM 1151 CD GLN A 156 -4.556 17.632 20.263 1.00 97.84 C
ATOM 1152 NE2 GLN A 156 -4.297 18.916 20.042 1.00 97.84 N
ATOM 1153 OE1 GLN A 156 -5.683 17.222 20.560 1.00 97.84 O
ATOM 1154 N LYS A 157 -2.605 12.948 20.850 1.00 96.95 N
ATOM 1155 CA LYS A 157 -2.103 12.312 22.065 1.00 96.95 C
ATOM 1156 C LYS A 157 -0.730 11.688 21.831 1.00 96.95 C
ATOM 1157 CB LYS A 157 -3.084 11.248 22.559 1.00 96.95 C
ATOM 1158 O LYS A 157 0.158 11.793 22.680 1.00 96.95 O
ATOM 1159 CG LYS A 157 -4.366 11.816 23.150 1.00 96.95 C
ATOM 1160 CD LYS A 157 -5.317 10.710 23.589 1.00 96.95 C
ATOM 1161 CE LYS A 157 -6.643 11.274 24.082 1.00 96.95 C
ATOM 1162 NZ LYS A 157 -7.610 10.191 24.432 1.00 96.95 N
ATOM 1163 N ALA A 158 -0.510 11.099 20.748 1.00 97.36 N
ATOM 1164 CA ALA A 158 0.759 10.454 20.420 1.00 97.36 C
ATOM 1165 C ALA A 158 1.876 11.483 20.272 1.00 97.36 C
ATOM 1166 CB ALA A 158 0.623 9.632 19.141 1.00 97.36 C
ATOM 1167 O ALA A 158 3.026 11.215 20.626 1.00 97.36 O
ATOM 1168 N ALA A 159 1.540 12.580 19.736 1.00 95.08 N
ATOM 1169 CA ALA A 159 2.527 13.630 19.496 1.00 95.08 C
ATOM 1170 C ALA A 159 3.008 14.241 20.809 1.00 95.08 C
ATOM 1171 CB ALA A 159 1.944 14.712 18.591 1.00 95.08 C
ATOM 1172 O ALA A 159 4.153 14.687 20.911 1.00 95.08 O
ATOM 1173 N LYS A 160 2.189 14.286 21.749 1.00 89.65 N
ATOM 1174 CA LYS A 160 2.544 14.848 23.049 1.00 89.65 C
ATOM 1175 C LYS A 160 3.443 13.896 23.833 1.00 89.65 C
ATOM 1176 CB LYS A 160 1.286 15.165 23.859 1.00 89.65 C
ATOM 1177 O LYS A 160 4.215 14.329 24.692 1.00 89.65 O
ATOM 1178 CG LYS A 160 0.467 16.320 23.302 1.00 89.65 C
ATOM 1179 CD LYS A 160 -0.800 16.552 24.116 1.00 89.65 C
ATOM 1180 CE LYS A 160 -1.638 17.684 23.539 1.00 89.65 C
ATOM 1181 NZ LYS A 160 -2.887 17.906 24.327 1.00 89.65 N
TER 1182 LYS A 160
ATOM 1182 N LYS B 309 -14.680 -8.265 -29.508 1.00 19.73 N
ATOM 1183 CA LYS B 309 -13.229 -8.216 -29.357 1.00 19.73 C
ATOM 1184 C LYS B 309 -12.837 -7.685 -27.981 1.00 19.73 C
ATOM 1185 CB LYS B 309 -12.604 -7.348 -30.451 1.00 19.73 C
ATOM 1186 O LYS B 309 -13.612 -6.972 -27.341 1.00 19.73 O
ATOM 1187 CG LYS B 309 -12.601 -7.995 -31.828 1.00 19.73 C
ATOM 1188 CD LYS B 309 -11.979 -7.079 -32.874 1.00 19.73 C
ATOM 1189 CE LYS B 309 -12.097 -7.667 -34.274 1.00 19.73 C
ATOM 1190 NZ LYS B 309 -11.526 -6.754 -35.309 1.00 19.73 N
ATOM 1191 N SER B 310 -11.870 -8.473 -27.667 1.00 18.98 N
ATOM 1192 CA SER B 310 -11.736 -8.793 -26.250 1.00 18.98 C
ATOM 1193 C SER B 310 -11.656 -7.527 -25.402 1.00 18.98 C
ATOM 1194 CB SER B 310 -10.498 -9.657 -26.009 1.00 18.98 C
ATOM 1195 O SER B 310 -10.948 -6.582 -25.755 1.00 18.98 O
ATOM 1196 OG SER B 310 -9.323 -8.978 -26.419 1.00 18.98 O
ATOM 1197 N VAL B 311 -13.048 -6.848 -25.365 1.00 19.32 N
ATOM 1198 CA VAL B 311 -13.487 -5.701 -24.577 1.00 19.32 C
ATOM 1199 C VAL B 311 -12.615 -5.565 -23.331 1.00 19.32 C
ATOM 1200 CB VAL B 311 -14.974 -5.824 -24.176 1.00 19.32 C
ATOM 1201 O VAL B 311 -12.571 -6.470 -22.495 1.00 19.32 O
ATOM 1202 CG1 VAL B 311 -15.636 -4.448 -24.128 1.00 19.32 C
ATOM 1203 CG2 VAL B 311 -15.714 -6.743 -25.147 1.00 19.32 C
ATOM 1204 N HIS B 312 -11.439 -5.437 -24.176 1.00 21.81 N
ATOM 1205 CA HIS B 312 -10.149 -5.554 -23.506 1.00 21.81 C
ATOM 1206 C HIS B 312 -10.171 -4.870 -22.143 1.00 21.81 C
ATOM 1207 CB HIS B 312 -9.038 -4.958 -24.373 1.00 21.81 C
ATOM 1208 O HIS B 312 -10.434 -3.669 -22.051 1.00 21.81 O
ATOM 1209 CG HIS B 312 -8.493 -5.912 -25.388 1.00 21.81 C
ATOM 1210 CD2 HIS B 312 -7.424 -6.741 -25.344 1.00 21.81 C
ATOM 1211 ND1 HIS B 312 -9.065 -6.086 -26.629 1.00 21.81 N
ATOM 1212 CE1 HIS B 312 -8.370 -6.985 -27.306 1.00 21.81 C
ATOM 1213 NE2 HIS B 312 -7.369 -7.398 -26.548 1.00 21.81 N
ATOM 1214 N LEU B 313 -11.365 -5.504 -21.376 1.00 25.65 N
ATOM 1215 CA LEU B 313 -11.617 -5.085 -20.001 1.00 25.65 C
ATOM 1216 C LEU B 313 -10.395 -4.389 -19.412 1.00 25.65 C
ATOM 1217 CB LEU B 313 -11.999 -6.289 -19.136 1.00 25.65 C
ATOM 1218 O LEU B 313 -9.318 -4.982 -19.328 1.00 25.65 O
ATOM 1219 CG LEU B 313 -13.311 -6.991 -19.491 1.00 25.65 C
ATOM 1220 CD1 LEU B 313 -13.464 -8.272 -18.678 1.00 25.65 C
ATOM 1221 CD2 LEU B 313 -14.496 -6.059 -19.259 1.00 25.65 C
ATOM 1222 N GLY B 314 -10.058 -3.303 -20.409 1.00 25.72 N
ATOM 1223 CA GLY B 314 -8.940 -2.380 -20.523 1.00 25.72 C
ATOM 1224 C GLY B 314 -8.449 -1.869 -19.182 1.00 25.72 C
ATOM 1225 O GLY B 314 -7.652 -0.930 -19.123 1.00 25.72 O
ATOM 1226 N PRO B 315 -9.253 -2.558 -18.571 1.00 27.62 N
ATOM 1227 CA PRO B 315 -9.672 -2.534 -17.168 1.00 27.62 C
ATOM 1228 C PRO B 315 -8.527 -2.190 -16.217 1.00 27.62 C
ATOM 1229 CB PRO B 315 -10.173 -3.960 -16.925 1.00 27.62 C
ATOM 1230 O PRO B 315 -8.662 -2.347 -15.001 1.00 27.62 O
ATOM 1231 CG PRO B 315 -9.988 -4.658 -18.234 1.00 27.62 C
ATOM 1232 CD PRO B 315 -9.325 -3.709 -19.191 1.00 27.62 C
ATOM 1233 N GLY B 316 -7.653 -2.179 -16.976 1.00 28.17 N
ATOM 1234 CA GLY B 316 -6.202 -2.133 -16.885 1.00 28.17 C
ATOM 1235 C GLY B 316 -5.702 -1.184 -15.813 1.00 28.17 C
ATOM 1236 O GLY B 316 -4.495 -0.974 -15.677 1.00 28.17 O
ATOM 1237 N GLN B 317 -6.401 -0.223 -16.057 1.00 29.64 N
ATOM 1238 CA GLN B 317 -6.830 0.913 -15.248 1.00 29.64 C
ATOM 1239 C GLN B 317 -6.981 0.518 -13.782 1.00 29.64 C
ATOM 1240 CB GLN B 317 -8.148 1.482 -15.776 1.00 29.64 C
ATOM 1241 O GLN B 317 -7.517 1.285 -12.979 1.00 29.64 O
ATOM 1242 CG GLN B 317 -7.992 2.331 -17.031 1.00 29.64 C
ATOM 1243 CD GLN B 317 -8.955 3.503 -17.069 1.00 29.64 C
ATOM 1244 NE2 GLN B 317 -8.440 4.683 -17.397 1.00 29.64 N
ATOM 1245 OE1 GLN B 317 -10.153 3.348 -16.808 1.00 29.64 O
ATOM 1246 N ALA B 318 -7.773 -0.736 -13.870 1.00 32.84 N
ATOM 1247 CA ALA B 318 -8.244 -1.486 -12.708 1.00 32.84 C
ATOM 1248 C ALA B 318 -7.764 -0.844 -11.410 1.00 32.84 C
ATOM 1249 CB ALA B 318 -7.775 -2.937 -12.787 1.00 32.84 C
ATOM 1250 O ALA B 318 -6.803 -0.071 -11.410 1.00 32.84 O
ATOM 1251 N PHE B 319 -8.228 -1.893 -10.428 1.00 31.45 N
ATOM 1252 CA PHE B 319 -8.259 -1.652 -8.990 1.00 31.45 C
ATOM 1253 C PHE B 319 -7.016 -0.892 -8.542 1.00 31.45 C
ATOM 1254 CB PHE B 319 -8.371 -2.973 -8.224 1.00 31.45 C
ATOM 1255 O PHE B 319 -6.966 -0.378 -7.422 1.00 31.45 O
ATOM 1256 CG PHE B 319 -8.800 -2.810 -6.791 1.00 31.45 C
ATOM 1257 CD1 PHE B 319 -7.861 -2.795 -5.767 1.00 31.45 C
ATOM 1258 CD2 PHE B 319 -10.143 -2.670 -6.467 1.00 31.45 C
ATOM 1259 CE1 PHE B 319 -8.255 -2.644 -4.440 1.00 31.45 C
ATOM 1260 CE2 PHE B 319 -10.545 -2.519 -5.143 1.00 31.45 C
ATOM 1261 CZ PHE B 319 -9.599 -2.507 -4.131 1.00 31.45 C
ATOM 1262 N TYR B 320 -5.776 -1.366 -9.192 1.00 33.51 N
ATOM 1263 CA TYR B 320 -5.232 -0.709 -8.009 1.00 33.51 C
ATOM 1264 C TYR B 320 -5.724 0.730 -7.909 1.00 33.51 C
ATOM 1265 CB TYR B 320 -3.701 -0.737 -8.034 1.00 33.51 C
ATOM 1266 O TYR B 320 -5.158 1.631 -8.534 1.00 33.51 O
ATOM 1267 CG TYR B 320 -3.116 -2.119 -7.871 1.00 33.51 C
ATOM 1268 CD1 TYR B 320 -2.982 -2.696 -6.610 1.00 33.51 C
ATOM 1269 CD2 TYR B 320 -2.695 -2.850 -8.976 1.00 33.51 C
ATOM 1270 CE1 TYR B 320 -2.442 -3.968 -6.454 1.00 33.51 C
ATOM 1271 CE2 TYR B 320 -2.154 -4.124 -8.833 1.00 33.51 C
ATOM 1272 OH TYR B 320 -1.497 -5.933 -7.422 1.00 33.51 O
ATOM 1273 CZ TYR B 320 -2.032 -4.673 -7.570 1.00 33.51 C
ATOM 1274 N ALA B 321 -7.037 0.941 -8.610 1.00 34.95 N
ATOM 1275 CA ALA B 321 -7.583 2.266 -8.330 1.00 34.95 C
ATOM 1276 C ALA B 321 -6.796 2.960 -7.222 1.00 34.95 C
ATOM 1277 CB ALA B 321 -9.057 2.165 -7.948 1.00 34.95 C
ATOM 1278 O ALA B 321 -7.256 3.037 -6.080 1.00 34.95 O
ATOM 1279 N THR B 322 -5.849 2.479 -6.931 1.00 38.26 N
ATOM 1280 CA THR B 322 -4.631 3.155 -6.498 1.00 38.26 C
ATOM 1281 C THR B 322 -4.525 4.539 -7.131 1.00 38.26 C
ATOM 1282 CB THR B 322 -3.379 2.330 -6.849 1.00 38.26 C
ATOM 1283 O THR B 322 -3.526 5.237 -6.948 1.00 38.26 O
ATOM 1284 CG2 THR B 322 -3.361 1.007 -6.090 1.00 38.26 C
ATOM 1285 OG1 THR B 322 -3.372 2.060 -8.256 1.00 38.26 O
ATOM 1286 N ASP B 323 -4.963 4.786 -8.472 1.00 36.29 N
ATOM 1287 CA ASP B 323 -4.924 6.062 -9.179 1.00 36.29 C
ATOM 1288 C ASP B 323 -4.950 7.234 -8.201 1.00 36.29 C
ATOM 1289 CB ASP B 323 -6.094 6.169 -10.159 1.00 36.29 C
ATOM 1290 O ASP B 323 -4.257 8.233 -8.402 1.00 36.29 O
ATOM 1291 CG ASP B 323 -5.965 5.225 -11.342 1.00 36.29 C
ATOM 1292 OD1 ASP B 323 -4.831 4.823 -11.680 1.00 36.29 O
ATOM 1293 OD2 ASP B 323 -7.007 4.884 -11.943 1.00 36.29 O
ATOM 1294 N GLY B 324 -6.322 7.519 -7.688 1.00 36.37 N
ATOM 1295 CA GLY B 324 -6.306 8.689 -6.825 1.00 36.37 C
ATOM 1296 C GLY B 324 -5.250 8.615 -5.738 1.00 36.37 C
ATOM 1297 O GLY B 324 -4.832 9.642 -5.201 1.00 36.37 O
ATOM 1298 N ILE B 325 -5.227 7.503 -4.920 1.00 37.79 N
ATOM 1299 CA ILE B 325 -4.321 7.558 -3.778 1.00 37.79 C
ATOM 1300 C ILE B 325 -2.877 7.641 -4.268 1.00 37.79 C
ATOM 1301 CB ILE B 325 -4.503 6.335 -2.852 1.00 37.79 C
ATOM 1302 O ILE B 325 -2.051 8.337 -3.672 1.00 37.79 O
ATOM 1303 CG1 ILE B 325 -5.941 6.272 -2.326 1.00 37.79 C
ATOM 1304 CG2 ILE B 325 -3.499 6.378 -1.696 1.00 37.79 C
ATOM 1305 CD1 ILE B 325 -6.250 5.021 -1.515 1.00 37.79 C
ATOM 1306 N ILE B 326 -2.354 6.798 -5.178 1.00 37.97 N
ATOM 1307 CA ILE B 326 -0.979 7.054 -5.594 1.00 37.97 C
ATOM 1308 C ILE B 326 -0.903 8.390 -6.330 1.00 37.97 C
ATOM 1309 CB ILE B 326 -0.438 5.917 -6.489 1.00 37.97 C
ATOM 1310 O ILE B 326 0.097 9.104 -6.230 1.00 37.97 O
ATOM 1311 CG1 ILE B 326 -0.414 4.593 -5.715 1.00 37.97 C
ATOM 1312 CG2 ILE B 326 0.955 6.265 -7.021 1.00 37.97 C
ATOM 1313 CD1 ILE B 326 -0.062 3.383 -6.569 1.00 37.97 C
ATOM 1314 N GLY B 327 -1.547 8.725 -7.398 1.00 33.75 N
ATOM 1315 CA GLY B 327 -1.652 10.123 -7.781 1.00 33.75 C
ATOM 1316 C GLY B 327 -2.027 11.032 -6.626 1.00 33.75 C
ATOM 1317 O GLY B 327 -1.396 12.070 -6.415 1.00 33.75 O
ATOM 1318 N GLU B 328 -3.544 11.184 -6.142 1.00 35.66 N
ATOM 1319 CA GLU B 328 -4.151 12.247 -5.347 1.00 35.66 C
ATOM 1320 C GLU B 328 -3.728 12.153 -3.884 1.00 35.66 C
ATOM 1321 CB GLU B 328 -5.677 12.196 -5.457 1.00 35.66 C
ATOM 1322 O GLU B 328 -4.363 12.746 -3.009 1.00 35.66 O
ATOM 1323 CG GLU B 328 -6.210 12.617 -6.819 1.00 35.66 C
ATOM 1324 CD GLU B 328 -7.728 12.600 -6.901 1.00 35.66 C
ATOM 1325 OE1 GLU B 328 -8.280 12.861 -7.994 1.00 35.66 O
ATOM 1326 OE2 GLU B 328 -8.371 12.323 -5.864 1.00 35.66 O
ATOM 1327 N ILE B 329 -3.164 11.233 -3.354 1.00 31.44 N
ATOM 1328 CA ILE B 329 -3.062 11.470 -1.919 1.00 31.44 C
ATOM 1329 C ILE B 329 -2.750 12.942 -1.659 1.00 31.44 C
ATOM 1330 CB ILE B 329 -1.983 10.572 -1.273 1.00 31.44 C
ATOM 1331 O ILE B 329 -1.627 13.396 -1.893 1.00 31.44 O
ATOM 1332 CG1 ILE B 329 -2.302 9.092 -1.519 1.00 31.44 C
ATOM 1333 CG2 ILE B 329 -1.864 10.864 0.226 1.00 31.44 C
ATOM 1334 CD1 ILE B 329 -1.243 8.134 -0.991 1.00 31.44 C
ATOM 1335 N ARG B 330 -3.501 13.935 -2.163 1.00 25.92 N
ATOM 1336 CA ARG B 330 -3.468 15.294 -1.634 1.00 25.92 C
ATOM 1337 C ARG B 330 -3.722 15.303 -0.131 1.00 25.92 C
ATOM 1338 CB ARG B 330 -4.499 16.173 -2.345 1.00 25.92 C
ATOM 1339 O ARG B 330 -4.541 14.530 0.370 1.00 25.92 O
ATOM 1340 CG ARG B 330 -4.021 16.729 -3.677 1.00 25.92 C
ATOM 1341 CD ARG B 330 -5.025 17.707 -4.273 1.00 25.92 C
ATOM 1342 NE ARG B 330 -4.618 18.154 -5.602 1.00 25.92 N
ATOM 1343 NH1 ARG B 330 -6.420 19.566 -5.905 1.00 25.92 N
ATOM 1344 NH2 ARG B 330 -4.829 19.363 -7.543 1.00 25.92 N
ATOM 1345 CZ ARG B 330 -5.290 19.027 -6.347 1.00 25.92 C
TER 1346 ARG B 330
END
I got confused about your question. Does our example here https://github.com/kiharalab/DOVE/tree/master/Example/Decoys works for your running? If so, then it would be your input's problem, please compare it against our examples
thank you for your answer. you have introduced two types of input correct and incorrect, my data is seems like your correct data, but my results are not satisfying. one of my result: ranked_0.pdb_clean.pdb,0.0560,0.0000,0.0003,-1.0000,0.0132,-1.0000,-1.0000,-1.0000,
I think you did not install fortran locally, which may cause the failure of GOAP.
my main problem is that _goap.pdb files are not created despite I have added all files. I have printed the pwd of 888_goap.pdb file but It is not created while running the code.
Using TensorFlow backend. /mnt/pixstor/data/fe5vb/negin/dove/dove/lib/python3.5/site-packages/tensorflow/python/framework/dtypes.py:463: FutureWarning: Passing (type, 1) or '1type' as a synonym of type is deprecated; in a future version of numpy, it will be understood as (type, (1,)) / '(1,)type'. _np_qint8 = np.dtype([("qint8", np.int8, 1)]) /mnt/pixstor/data/fe5vb/negin/dove/dove/lib/python3.5/site-packages/tensorflow/python/framework/dtypes.py:464: FutureWarning: Passing (type, 1) or '1type' as a synonym of type is deprecated; in a future version of numpy, it will be understood as (type, (1,)) / '(1,)type'. _np_quint8 = np.dtype([("quint8", np.uint8, 1)]) /mnt/pixstor/data/fe5vb/negin/dove/dove/lib/python3.5/site-packages/tensorflow/python/framework/dtypes.py:465: FutureWarning: Passing (type, 1) or '1type' as a synonym of type is deprecated; in a future version of numpy, it will be understood as (type, (1,)) / '(1,)type'. _np_qint16 = np.dtype([("qint16", np.int16, 1)]) /mnt/pixstor/data/fe5vb/negin/dove/dove/lib/python3.5/site-packages/tensorflow/python/framework/dtypes.py:466: FutureWarning: Passing (type, 1) or '1type' as a synonym of type is deprecated; in a future version of numpy, it will be understood as (type, (1,)) / '(1,)type'. _np_quint16 = np.dtype([("quint16", np.uint16, 1)]) /mnt/pixstor/data/fe5vb/negin/dove/dove/lib/python3.5/site-packages/tensorflow/python/framework/dtypes.py:467: FutureWarning: Passing (type, 1) or '1type' as a synonym of type is deprecated; in a future version of numpy, it will be understood as (type, (1,)) / '(1,)type'. _np_qint32 = np.dtype([("qint32", np.int32, 1)]) /mnt/pixstor/data/fe5vb/negin/dove/DOVE/complex.999888 existed klkllklklklklklllklklkklklklklklklklklk /mnt/pixstor/data/fe5vb/negin/dove/DOVE/complex.999888/complex.888.pdb 88888888888888888888888888888888888 /mnt/pixstor/data/fe5vb/negin/dove/DOVE/complex.999888/888_goap.pdb waiting dealing1 ./goap: error while loading shared libraries: libgfortran.so.4: cannot open shared object file: No such file or directory in total, we have 142 residues in receptor, 20 residues in ligand in the interface 10A cut off, we have 81 residue, 707 atoms in the receptor in the interface 10A cut off, we have 18 residue, 149 atoms in the ligand after processing, we only remained 707 atoms in receptor, 149 atoms in ligand 308 atoms actually used in this receptor /mnt/pixstor/data/fe5vb/negin/dove/DOVE/data_processing/prepare_input.py:360: FutureWarning: elementwise comparison failed; returning scalar instead, but in the future will perform elementwise comparison if atom_type=='C' or atom_type=='CA': /mnt/pixstor/data/fe5vb/negin/dove/DOVE/data_processing/prepare_input.py:366: FutureWarning: elementwise comparison failed; returning scalar instead, but in the future will perform elementwise comparison elif atom_type=='N': /mnt/pixstor/data/fe5vb/negin/dove/DOVE/data_processing/prepare_input.py:372: FutureWarning: elementwise comparison failed; returning scalar instead, but in the future will perform elementwise comparison elif atom_type=='O': 386 atoms actually used in this example C atom 85, N atom 43, O atom 42, other atom 216 in the interface 10A cut off, we have 81 residue, 707 atoms in the receptor in the interface 10A cut off, we have 18 residue, 149 atoms in the ligand after processing, we only remained 707 atoms in receptor, 149 atoms in ligand 661 atoms actually used in this receptor 782 atoms actually used in this example C atom 175, N atom 90, O atom 87, other atom 430
Traceback (most recent call last): File "main.py", line 67, in
record,input_path=run_pred_single(file_path,random_id,gpu_id)
File "main.py", line 16, in run_pred_single
input_path=Prepare_Input_Singe(file_path,random_id)
File "/mnt/pixstor/data/fe5vb/negin/dove/DOVE/Input_Preparing/Prepare_Input_Single.py", line 57, in Prepare_Input_Singe
rlist, llist = form_goap_list(work_decoy2, rcount)
File "/mnt/pixstor/data/fe5vb/negin/dove/DOVE/data_processing/prepare_goap_input.py", line 14, in form_goap_list
with open(item,'r') as file:
FileNotFoundError: [Errno 2] No such file or directory: '/mnt/pixstor/data/fe5vb/negin/dove/DOVE/complex.999888/888_goap.pdb'