USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 572 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 HIS : no HE2:sc= -1.46 X(o=-0.99,f=-1.5) USER MOD Set 1.2: A 27 TYR OH : rot 164:sc= 0.471 USER MOD Single : A 8 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.229) USER MOD Single : A 9 ASN : amide:sc= -7.26! C(o=-7.3!,f=-9.9!) USER MOD Single : A 10 LYS NZ :NH3+ -122:sc= 0.259 (180deg=0) USER MOD Single : A 12 CYS SG : rot -120:sc= -3.85! USER MOD Single : A 13 MET CE :methyl -171:sc= -0.0148 (180deg=-0.292) USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 142:sc= -6.6! USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.835 K(o=-0.83,f=-5.5!) USER MOD Single : A 43 TYR OH : rot 150:sc= -0.0238 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 163:sc= -0.183 (180deg=-0.412) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 71:sc= 0.705 USER MOD Single : A 53 GLN : amide:sc= -2.82! C(o=-2.8!,f=-2.6!) USER MOD Single : A 61 MET CE :methyl -120:sc= -4.56! (180deg=-6.58!) USER MOD Single : A 64 ASN :FLIP amide:sc= -1.19 F(o=-3.5!,f=-1.2) USER MOD Single : A 67 SER OG : rot 143:sc= 0.575 USER MOD Single : A 72 GLN :FLIP amide:sc= -0.0481 F(o=-0.58,f=-0.048) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0348 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 30 N PRO A 3 66.573 12.653 2.369 1.00 0.00 N ATOM 31 CA PRO A 3 66.366 11.252 1.930 1.00 0.00 C ATOM 32 C PRO A 3 65.334 11.182 0.802 1.00 0.00 C ATOM 33 O PRO A 3 65.515 10.486 -0.177 1.00 0.00 O ATOM 34 CB PRO A 3 65.844 10.574 3.202 1.00 0.00 C ATOM 35 CG PRO A 3 65.776 11.621 4.331 1.00 0.00 C ATOM 36 CD PRO A 3 66.247 12.973 3.779 1.00 0.00 C ATOM 0 HA PRO A 3 67.265 10.783 1.531 1.00 0.00 H new ATOM 0 HB2 PRO A 3 64.857 10.146 3.024 1.00 0.00 H new ATOM 0 HB3 PRO A 3 66.501 9.752 3.488 1.00 0.00 H new ATOM 0 HG2 PRO A 3 64.757 11.702 4.710 1.00 0.00 H new ATOM 0 HG3 PRO A 3 66.404 11.315 5.168 1.00 0.00 H new ATOM 0 HD2 PRO A 3 65.470 13.733 3.852 1.00 0.00 H new ATOM 0 HD3 PRO A 3 67.115 13.351 4.320 1.00 0.00 H new ATOM 44 N GLU A 4 64.257 11.904 0.928 1.00 0.00 N ATOM 45 CA GLU A 4 63.218 11.884 -0.143 1.00 0.00 C ATOM 46 C GLU A 4 63.869 12.206 -1.490 1.00 0.00 C ATOM 47 O GLU A 4 63.634 11.544 -2.486 1.00 0.00 O ATOM 48 CB GLU A 4 62.220 12.974 0.250 1.00 0.00 C ATOM 49 CG GLU A 4 61.395 12.501 1.448 1.00 0.00 C ATOM 50 CD GLU A 4 61.136 13.680 2.389 1.00 0.00 C ATOM 51 OE1 GLU A 4 60.595 14.672 1.929 1.00 0.00 O ATOM 52 OE2 GLU A 4 61.482 13.570 3.554 1.00 0.00 O ATOM 0 H GLU A 4 64.049 12.507 1.724 1.00 0.00 H new ATOM 0 HA GLU A 4 62.732 10.913 -0.241 1.00 0.00 H new ATOM 0 HB2 GLU A 4 62.749 13.894 0.499 1.00 0.00 H new ATOM 0 HB3 GLU A 4 61.564 13.201 -0.590 1.00 0.00 H new ATOM 0 HG2 GLU A 4 60.449 12.079 1.108 1.00 0.00 H new ATOM 0 HG3 GLU A 4 61.925 11.709 1.978 1.00 0.00 H new ATOM 59 N VAL A 5 64.697 13.215 -1.527 1.00 0.00 N ATOM 60 CA VAL A 5 65.375 13.574 -2.802 1.00 0.00 C ATOM 61 C VAL A 5 66.122 12.354 -3.340 1.00 0.00 C ATOM 62 O VAL A 5 66.206 12.139 -4.532 1.00 0.00 O ATOM 63 CB VAL A 5 66.351 14.691 -2.430 1.00 0.00 C ATOM 64 CG1 VAL A 5 67.259 14.996 -3.625 1.00 0.00 C ATOM 65 CG2 VAL A 5 65.562 15.949 -2.056 1.00 0.00 C ATOM 0 H VAL A 5 64.932 13.805 -0.729 1.00 0.00 H new ATOM 0 HA VAL A 5 64.679 13.894 -3.577 1.00 0.00 H new ATOM 0 HB VAL A 5 66.960 14.376 -1.583 1.00 0.00 H new ATOM 0 HG11 VAL A 5 67.955 15.792 -3.360 1.00 0.00 H new ATOM 0 HG12 VAL A 5 67.819 14.100 -3.895 1.00 0.00 H new ATOM 0 HG13 VAL A 5 66.651 15.313 -4.472 1.00 0.00 H new ATOM 0 HG21 VAL A 5 66.255 16.747 -1.790 1.00 0.00 H new ATOM 0 HG22 VAL A 5 64.955 16.263 -2.905 1.00 0.00 H new ATOM 0 HG23 VAL A 5 64.914 15.733 -1.206 1.00 0.00 H new ATOM 75 N LEU A 6 66.649 11.548 -2.462 1.00 0.00 N ATOM 76 CA LEU A 6 67.376 10.328 -2.910 1.00 0.00 C ATOM 77 C LEU A 6 66.375 9.301 -3.437 1.00 0.00 C ATOM 78 O LEU A 6 66.674 8.510 -4.309 1.00 0.00 O ATOM 79 CB LEU A 6 68.069 9.791 -1.656 1.00 0.00 C ATOM 80 CG LEU A 6 68.915 10.893 -1.020 1.00 0.00 C ATOM 81 CD1 LEU A 6 69.606 10.346 0.231 1.00 0.00 C ATOM 82 CD2 LEU A 6 69.972 11.364 -2.022 1.00 0.00 C ATOM 0 H LEU A 6 66.608 11.682 -1.452 1.00 0.00 H new ATOM 0 HA LEU A 6 68.087 10.538 -3.709 1.00 0.00 H new ATOM 0 HB2 LEU A 6 67.326 9.434 -0.943 1.00 0.00 H new ATOM 0 HB3 LEU A 6 68.699 8.939 -1.914 1.00 0.00 H new ATOM 0 HG LEU A 6 68.275 11.731 -0.745 1.00 0.00 H new ATOM 0 HD11 LEU A 6 70.210 11.131 0.686 1.00 0.00 H new ATOM 0 HD12 LEU A 6 68.854 10.008 0.944 1.00 0.00 H new ATOM 0 HD13 LEU A 6 70.247 9.509 -0.044 1.00 0.00 H new ATOM 0 HD21 LEU A 6 70.577 12.150 -1.570 1.00 0.00 H new ATOM 0 HD22 LEU A 6 70.613 10.526 -2.296 1.00 0.00 H new ATOM 0 HD23 LEU A 6 69.480 11.752 -2.914 1.00 0.00 H new ATOM 94 N ALA A 7 65.184 9.309 -2.906 1.00 0.00 N ATOM 95 CA ALA A 7 64.152 8.338 -3.361 1.00 0.00 C ATOM 96 C ALA A 7 63.749 8.632 -4.808 1.00 0.00 C ATOM 97 O ALA A 7 63.387 7.745 -5.554 1.00 0.00 O ATOM 98 CB ALA A 7 62.965 8.549 -2.422 1.00 0.00 C ATOM 0 H ALA A 7 64.880 9.950 -2.173 1.00 0.00 H new ATOM 0 HA ALA A 7 64.515 7.310 -3.335 1.00 0.00 H new ATOM 0 HB1 ALA A 7 62.160 7.867 -2.694 1.00 0.00 H new ATOM 0 HB2 ALA A 7 63.274 8.354 -1.395 1.00 0.00 H new ATOM 0 HB3 ALA A 7 62.613 9.577 -2.506 1.00 0.00 H new ATOM 104 N LYS A 8 63.801 9.870 -5.211 1.00 0.00 N ATOM 105 CA LYS A 8 63.415 10.206 -6.612 1.00 0.00 C ATOM 106 C LYS A 8 64.621 10.060 -7.548 1.00 0.00 C ATOM 107 O LYS A 8 64.515 9.526 -8.633 1.00 0.00 O ATOM 108 CB LYS A 8 62.952 11.663 -6.561 1.00 0.00 C ATOM 109 CG LYS A 8 62.148 11.989 -7.822 1.00 0.00 C ATOM 110 CD LYS A 8 62.295 13.476 -8.152 1.00 0.00 C ATOM 111 CE LYS A 8 62.545 13.645 -9.654 1.00 0.00 C ATOM 112 NZ LYS A 8 61.287 13.192 -10.317 1.00 0.00 N ATOM 0 H LYS A 8 64.092 10.661 -4.636 1.00 0.00 H new ATOM 0 HA LYS A 8 62.637 9.544 -6.992 1.00 0.00 H new ATOM 0 HB2 LYS A 8 62.341 11.830 -5.674 1.00 0.00 H new ATOM 0 HB3 LYS A 8 63.813 12.327 -6.485 1.00 0.00 H new ATOM 0 HG2 LYS A 8 62.501 11.384 -8.657 1.00 0.00 H new ATOM 0 HG3 LYS A 8 61.097 11.742 -7.670 1.00 0.00 H new ATOM 0 HD2 LYS A 8 61.394 14.015 -7.860 1.00 0.00 H new ATOM 0 HD3 LYS A 8 63.121 13.905 -7.585 1.00 0.00 H new ATOM 0 HE2 LYS A 8 62.768 14.683 -9.901 1.00 0.00 H new ATOM 0 HE3 LYS A 8 63.398 13.050 -9.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 61.267 13.539 -11.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 61.249 12.153 -10.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 60.467 13.568 -9.800 1.00 0.00 H new ATOM 126 N ASN A 9 65.766 10.537 -7.139 1.00 0.00 N ATOM 127 CA ASN A 9 66.975 10.432 -8.012 1.00 0.00 C ATOM 128 C ASN A 9 67.385 8.966 -8.184 1.00 0.00 C ATOM 129 O ASN A 9 67.954 8.586 -9.189 1.00 0.00 O ATOM 130 CB ASN A 9 68.075 11.207 -7.282 1.00 0.00 C ATOM 131 CG ASN A 9 67.503 12.509 -6.716 1.00 0.00 C ATOM 132 OD1 ASN A 9 68.056 13.079 -5.797 1.00 0.00 O ATOM 133 ND2 ASN A 9 66.410 13.006 -7.227 1.00 0.00 N ATOM 0 H ASN A 9 65.918 10.994 -6.240 1.00 0.00 H new ATOM 0 HA ASN A 9 66.789 10.832 -9.009 1.00 0.00 H new ATOM 0 HB2 ASN A 9 68.487 10.600 -6.476 1.00 0.00 H new ATOM 0 HB3 ASN A 9 68.894 11.426 -7.967 1.00 0.00 H new ATOM 0 HD21 ASN A 9 66.021 13.872 -6.855 1.00 0.00 H new ATOM 0 HD22 ASN A 9 65.945 12.528 -7.999 1.00 0.00 H new ATOM 140 N LYS A 10 67.107 8.140 -7.214 1.00 0.00 N ATOM 141 CA LYS A 10 67.487 6.704 -7.331 1.00 0.00 C ATOM 142 C LYS A 10 66.298 5.884 -7.838 1.00 0.00 C ATOM 143 O LYS A 10 66.439 4.743 -8.230 1.00 0.00 O ATOM 144 CB LYS A 10 67.878 6.279 -5.914 1.00 0.00 C ATOM 145 CG LYS A 10 69.015 7.170 -5.402 1.00 0.00 C ATOM 146 CD LYS A 10 70.236 7.026 -6.314 1.00 0.00 C ATOM 147 CE LYS A 10 71.296 8.061 -5.924 1.00 0.00 C ATOM 148 NZ LYS A 10 72.476 7.757 -6.785 1.00 0.00 N ATOM 0 H LYS A 10 66.634 8.396 -6.347 1.00 0.00 H new ATOM 0 HA LYS A 10 68.302 6.546 -8.038 1.00 0.00 H new ATOM 0 HB2 LYS A 10 67.017 6.355 -5.251 1.00 0.00 H new ATOM 0 HB3 LYS A 10 68.192 5.235 -5.911 1.00 0.00 H new ATOM 0 HG2 LYS A 10 68.690 8.210 -5.375 1.00 0.00 H new ATOM 0 HG3 LYS A 10 69.277 6.891 -4.381 1.00 0.00 H new ATOM 0 HD2 LYS A 10 70.648 6.020 -6.231 1.00 0.00 H new ATOM 0 HD3 LYS A 10 69.943 7.165 -7.355 1.00 0.00 H new ATOM 0 HE2 LYS A 10 70.936 9.076 -6.093 1.00 0.00 H new ATOM 0 HE3 LYS A 10 71.550 7.985 -4.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 73.302 7.561 -6.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 72.271 6.925 -7.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 72.678 8.573 -7.397 1.00 0.00 H new ATOM 162 N GLY A 11 65.129 6.462 -7.847 1.00 0.00 N ATOM 163 CA GLY A 11 63.934 5.723 -8.344 1.00 0.00 C ATOM 164 C GLY A 11 63.309 4.898 -7.215 1.00 0.00 C ATOM 165 O GLY A 11 62.511 4.016 -7.458 1.00 0.00 O ATOM 0 H GLY A 11 64.949 7.415 -7.531 1.00 0.00 H new ATOM 0 HA2 GLY A 11 63.201 6.427 -8.737 1.00 0.00 H new ATOM 0 HA3 GLY A 11 64.220 5.068 -9.167 1.00 0.00 H new ATOM 169 N CYS A 12 63.655 5.173 -5.986 1.00 0.00 N ATOM 170 CA CYS A 12 63.059 4.392 -4.862 1.00 0.00 C ATOM 171 C CYS A 12 61.549 4.635 -4.796 1.00 0.00 C ATOM 172 O CYS A 12 60.807 3.850 -4.236 1.00 0.00 O ATOM 173 CB CYS A 12 63.722 4.920 -3.590 1.00 0.00 C ATOM 174 SG CYS A 12 65.517 5.016 -3.809 1.00 0.00 S ATOM 0 H CYS A 12 64.318 5.898 -5.712 1.00 0.00 H new ATOM 0 HA CYS A 12 63.219 3.321 -4.990 1.00 0.00 H new ATOM 0 HB2 CYS A 12 63.325 5.906 -3.348 1.00 0.00 H new ATOM 0 HB3 CYS A 12 63.486 4.266 -2.751 1.00 0.00 H new ATOM 0 HG CYS A 12 66.103 4.261 -2.927 1.00 0.00 H new ATOM 179 N MET A 13 61.088 5.723 -5.350 1.00 0.00 N ATOM 180 CA MET A 13 59.630 6.025 -5.307 1.00 0.00 C ATOM 181 C MET A 13 58.938 5.507 -6.571 1.00 0.00 C ATOM 182 O MET A 13 57.820 5.876 -6.873 1.00 0.00 O ATOM 183 CB MET A 13 59.554 7.552 -5.246 1.00 0.00 C ATOM 184 CG MET A 13 60.041 8.036 -3.880 1.00 0.00 C ATOM 185 SD MET A 13 58.782 9.100 -3.133 1.00 0.00 S ATOM 186 CE MET A 13 57.687 7.783 -2.553 1.00 0.00 C ATOM 0 H MET A 13 61.660 6.417 -5.831 1.00 0.00 H new ATOM 0 HA MET A 13 59.134 5.550 -4.461 1.00 0.00 H new ATOM 0 HB2 MET A 13 60.165 7.988 -6.036 1.00 0.00 H new ATOM 0 HB3 MET A 13 58.529 7.882 -5.416 1.00 0.00 H new ATOM 0 HG2 MET A 13 60.244 7.184 -3.231 1.00 0.00 H new ATOM 0 HG3 MET A 13 60.977 8.584 -3.989 1.00 0.00 H new ATOM 0 HE1 MET A 13 56.753 8.217 -2.195 1.00 0.00 H new ATOM 0 HE2 MET A 13 57.477 7.097 -3.373 1.00 0.00 H new ATOM 0 HE3 MET A 13 58.170 7.240 -1.740 1.00 0.00 H new ATOM 196 N ALA A 14 59.591 4.654 -7.311 1.00 0.00 N ATOM 197 CA ALA A 14 58.971 4.116 -8.553 1.00 0.00 C ATOM 198 C ALA A 14 58.454 2.696 -8.318 1.00 0.00 C ATOM 199 O ALA A 14 57.479 2.273 -8.909 1.00 0.00 O ATOM 200 CB ALA A 14 60.097 4.112 -9.588 1.00 0.00 C ATOM 0 H ALA A 14 60.528 4.306 -7.108 1.00 0.00 H new ATOM 0 HA ALA A 14 58.119 4.712 -8.879 1.00 0.00 H new ATOM 0 HB1 ALA A 14 59.719 3.727 -10.535 1.00 0.00 H new ATOM 0 HB2 ALA A 14 60.465 5.128 -9.730 1.00 0.00 H new ATOM 0 HB3 ALA A 14 60.911 3.477 -9.238 1.00 0.00 H new ATOM 206 N CYS A 15 59.102 1.953 -7.465 1.00 0.00 N ATOM 207 CA CYS A 15 58.653 0.559 -7.199 1.00 0.00 C ATOM 208 C CYS A 15 58.107 0.426 -5.774 1.00 0.00 C ATOM 209 O CYS A 15 57.450 -0.540 -5.447 1.00 0.00 O ATOM 210 CB CYS A 15 59.913 -0.295 -7.328 1.00 0.00 C ATOM 211 SG CYS A 15 60.330 -0.571 -9.071 1.00 0.00 S ATOM 0 H CYS A 15 59.924 2.252 -6.940 1.00 0.00 H new ATOM 0 HA CYS A 15 57.861 0.260 -7.885 1.00 0.00 H new ATOM 0 HB2 CYS A 15 60.745 0.198 -6.824 1.00 0.00 H new ATOM 0 HB3 CYS A 15 59.761 -1.253 -6.830 1.00 0.00 H new ATOM 0 HG CYS A 15 61.405 -1.297 -9.150 1.00 0.00 H new ATOM 216 N HIS A 16 58.399 1.361 -4.908 1.00 0.00 N ATOM 217 CA HIS A 16 57.914 1.224 -3.505 1.00 0.00 C ATOM 218 C HIS A 16 56.834 2.250 -3.158 1.00 0.00 C ATOM 219 O HIS A 16 56.690 3.273 -3.798 1.00 0.00 O ATOM 220 CB HIS A 16 59.154 1.462 -2.644 1.00 0.00 C ATOM 221 CG HIS A 16 59.911 0.175 -2.484 1.00 0.00 C ATOM 222 ND1 HIS A 16 59.446 -0.860 -1.689 1.00 0.00 N ATOM 223 CD2 HIS A 16 61.103 -0.261 -3.009 1.00 0.00 C ATOM 224 CE1 HIS A 16 60.345 -1.859 -1.758 1.00 0.00 C ATOM 225 NE2 HIS A 16 61.374 -1.546 -2.548 1.00 0.00 N ATOM 0 H HIS A 16 58.943 2.200 -5.107 1.00 0.00 H new ATOM 0 HA HIS A 16 57.456 0.248 -3.345 1.00 0.00 H new ATOM 0 HB2 HIS A 16 59.791 2.215 -3.107 1.00 0.00 H new ATOM 0 HB3 HIS A 16 58.862 1.848 -1.667 1.00 0.00 H new ATOM 0 HD1 HIS A 16 58.580 -0.864 -1.150 1.00 0.00 H new ATOM 0 HD2 HIS A 16 61.734 0.307 -3.677 1.00 0.00 H new ATOM 0 HE1 HIS A 16 60.246 -2.800 -1.237 1.00 0.00 H new ATOM 233 N ALA A 17 56.091 1.974 -2.119 1.00 0.00 N ATOM 234 CA ALA A 17 55.023 2.906 -1.664 1.00 0.00 C ATOM 235 C ALA A 17 55.108 3.031 -0.139 1.00 0.00 C ATOM 236 O ALA A 17 55.027 2.050 0.571 1.00 0.00 O ATOM 237 CB ALA A 17 53.709 2.246 -2.084 1.00 0.00 C ATOM 0 H ALA A 17 56.183 1.127 -1.558 1.00 0.00 H new ATOM 0 HA ALA A 17 55.111 3.906 -2.089 1.00 0.00 H new ATOM 0 HB1 ALA A 17 52.872 2.876 -1.782 1.00 0.00 H new ATOM 0 HB2 ALA A 17 53.695 2.119 -3.167 1.00 0.00 H new ATOM 0 HB3 ALA A 17 53.621 1.272 -1.603 1.00 0.00 H new ATOM 243 N ILE A 18 55.293 4.222 0.363 1.00 0.00 N ATOM 244 CA ILE A 18 55.413 4.408 1.842 1.00 0.00 C ATOM 245 C ILE A 18 54.441 3.489 2.585 1.00 0.00 C ATOM 246 O ILE A 18 54.687 3.087 3.703 1.00 0.00 O ATOM 247 CB ILE A 18 55.059 5.875 2.092 1.00 0.00 C ATOM 248 CG1 ILE A 18 56.230 6.763 1.664 1.00 0.00 C ATOM 249 CG2 ILE A 18 54.780 6.090 3.581 1.00 0.00 C ATOM 250 CD1 ILE A 18 55.825 7.584 0.440 1.00 0.00 C ATOM 0 H ILE A 18 55.367 5.078 -0.187 1.00 0.00 H new ATOM 0 HA ILE A 18 56.412 4.161 2.201 1.00 0.00 H new ATOM 0 HB ILE A 18 54.172 6.135 1.514 1.00 0.00 H new ATOM 0 HG12 ILE A 18 56.516 7.425 2.481 1.00 0.00 H new ATOM 0 HG13 ILE A 18 57.100 6.149 1.432 1.00 0.00 H new ATOM 0 HG21 ILE A 18 54.528 7.136 3.757 1.00 0.00 H new ATOM 0 HG22 ILE A 18 53.946 5.459 3.890 1.00 0.00 H new ATOM 0 HG23 ILE A 18 55.666 5.828 4.159 1.00 0.00 H new ATOM 0 HD11 ILE A 18 56.658 8.217 0.134 1.00 0.00 H new ATOM 0 HD12 ILE A 18 55.560 6.913 -0.377 1.00 0.00 H new ATOM 0 HD13 ILE A 18 54.967 8.209 0.689 1.00 0.00 H new ATOM 262 N ASP A 19 53.338 3.159 1.977 1.00 0.00 N ATOM 263 CA ASP A 19 52.358 2.266 2.669 1.00 0.00 C ATOM 264 C ASP A 19 51.575 1.419 1.660 1.00 0.00 C ATOM 265 O ASP A 19 51.192 0.301 1.945 1.00 0.00 O ATOM 266 CB ASP A 19 51.419 3.215 3.413 1.00 0.00 C ATOM 267 CG ASP A 19 51.274 2.753 4.865 1.00 0.00 C ATOM 268 OD1 ASP A 19 52.144 3.075 5.656 1.00 0.00 O ATOM 269 OD2 ASP A 19 50.295 2.087 5.159 1.00 0.00 O ATOM 0 H ASP A 19 53.070 3.463 1.041 1.00 0.00 H new ATOM 0 HA ASP A 19 52.854 1.564 3.339 1.00 0.00 H new ATOM 0 HB2 ASP A 19 51.811 4.231 3.381 1.00 0.00 H new ATOM 0 HB3 ASP A 19 50.444 3.234 2.927 1.00 0.00 H new ATOM 274 N THR A 20 51.329 1.934 0.488 1.00 0.00 N ATOM 275 CA THR A 20 50.566 1.141 -0.522 1.00 0.00 C ATOM 276 C THR A 20 51.415 -0.039 -1.002 1.00 0.00 C ATOM 277 O THR A 20 52.369 -0.426 -0.358 1.00 0.00 O ATOM 278 CB THR A 20 50.278 2.108 -1.675 1.00 0.00 C ATOM 279 OG1 THR A 20 51.307 3.083 -1.752 1.00 0.00 O ATOM 280 CG2 THR A 20 48.935 2.800 -1.436 1.00 0.00 C ATOM 0 H THR A 20 51.620 2.863 0.185 1.00 0.00 H new ATOM 0 HA THR A 20 49.644 0.730 -0.112 1.00 0.00 H new ATOM 0 HB THR A 20 50.240 1.551 -2.611 1.00 0.00 H new ATOM 0 HG1 THR A 20 51.502 3.279 -2.692 1.00 0.00 H new ATOM 0 HG21 THR A 20 48.729 3.488 -2.256 1.00 0.00 H new ATOM 0 HG22 THR A 20 48.144 2.052 -1.383 1.00 0.00 H new ATOM 0 HG23 THR A 20 48.973 3.354 -0.498 1.00 0.00 H new ATOM 288 N LYS A 21 51.078 -0.621 -2.121 1.00 0.00 N ATOM 289 CA LYS A 21 51.875 -1.777 -2.617 1.00 0.00 C ATOM 290 C LYS A 21 52.014 -1.723 -4.142 1.00 0.00 C ATOM 291 O LYS A 21 51.040 -1.625 -4.862 1.00 0.00 O ATOM 292 CB LYS A 21 51.079 -3.012 -2.196 1.00 0.00 C ATOM 293 CG LYS A 21 51.982 -4.246 -2.259 1.00 0.00 C ATOM 294 CD LYS A 21 51.398 -5.254 -3.249 1.00 0.00 C ATOM 295 CE LYS A 21 51.857 -6.664 -2.872 1.00 0.00 C ATOM 296 NZ LYS A 21 52.296 -7.276 -4.157 1.00 0.00 N ATOM 0 H LYS A 21 50.291 -0.348 -2.709 1.00 0.00 H new ATOM 0 HA LYS A 21 52.887 -1.781 -2.212 1.00 0.00 H new ATOM 0 HB2 LYS A 21 50.693 -2.882 -1.185 1.00 0.00 H new ATOM 0 HB3 LYS A 21 50.218 -3.144 -2.852 1.00 0.00 H new ATOM 0 HG2 LYS A 21 52.988 -3.959 -2.566 1.00 0.00 H new ATOM 0 HG3 LYS A 21 52.068 -4.698 -1.271 1.00 0.00 H new ATOM 0 HD2 LYS A 21 50.309 -5.200 -3.240 1.00 0.00 H new ATOM 0 HD3 LYS A 21 51.721 -5.014 -4.262 1.00 0.00 H new ATOM 0 HE2 LYS A 21 52.672 -6.635 -2.149 1.00 0.00 H new ATOM 0 HE3 LYS A 21 51.048 -7.235 -2.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 52.626 -8.247 -3.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 51.497 -7.295 -4.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 53.071 -6.714 -4.562 1.00 0.00 H new ATOM 310 N MET A 22 53.219 -1.797 -4.639 1.00 0.00 N ATOM 311 CA MET A 22 53.424 -1.758 -6.115 1.00 0.00 C ATOM 312 C MET A 22 54.366 -2.894 -6.537 1.00 0.00 C ATOM 313 O MET A 22 53.963 -4.034 -6.643 1.00 0.00 O ATOM 314 CB MET A 22 54.050 -0.392 -6.394 1.00 0.00 C ATOM 315 CG MET A 22 52.950 0.668 -6.481 1.00 0.00 C ATOM 316 SD MET A 22 53.190 1.898 -5.176 1.00 0.00 S ATOM 317 CE MET A 22 54.321 2.979 -6.086 1.00 0.00 C ATOM 0 H MET A 22 54.071 -1.883 -4.086 1.00 0.00 H new ATOM 0 HA MET A 22 52.497 -1.891 -6.672 1.00 0.00 H new ATOM 0 HB2 MET A 22 54.755 -0.135 -5.603 1.00 0.00 H new ATOM 0 HB3 MET A 22 54.614 -0.423 -7.326 1.00 0.00 H new ATOM 0 HG2 MET A 22 52.972 1.150 -7.458 1.00 0.00 H new ATOM 0 HG3 MET A 22 51.971 0.200 -6.378 1.00 0.00 H new ATOM 0 HE1 MET A 22 54.604 3.822 -5.456 1.00 0.00 H new ATOM 0 HE2 MET A 22 55.214 2.419 -6.365 1.00 0.00 H new ATOM 0 HE3 MET A 22 53.827 3.347 -6.985 1.00 0.00 H new ATOM 327 N VAL A 23 55.620 -2.599 -6.765 1.00 0.00 N ATOM 328 CA VAL A 23 56.571 -3.673 -7.162 1.00 0.00 C ATOM 329 C VAL A 23 57.223 -4.265 -5.910 1.00 0.00 C ATOM 330 O VAL A 23 57.563 -5.431 -5.864 1.00 0.00 O ATOM 331 CB VAL A 23 57.612 -2.986 -8.044 1.00 0.00 C ATOM 332 CG1 VAL A 23 58.578 -4.033 -8.603 1.00 0.00 C ATOM 333 CG2 VAL A 23 56.908 -2.278 -9.204 1.00 0.00 C ATOM 0 H VAL A 23 56.023 -1.665 -6.693 1.00 0.00 H new ATOM 0 HA VAL A 23 56.082 -4.491 -7.691 1.00 0.00 H new ATOM 0 HB VAL A 23 58.166 -2.257 -7.452 1.00 0.00 H new ATOM 0 HG11 VAL A 23 59.321 -3.543 -9.232 1.00 0.00 H new ATOM 0 HG12 VAL A 23 59.079 -4.542 -7.780 1.00 0.00 H new ATOM 0 HG13 VAL A 23 58.023 -4.760 -9.196 1.00 0.00 H new ATOM 0 HG21 VAL A 23 57.649 -1.787 -9.834 1.00 0.00 H new ATOM 0 HG22 VAL A 23 56.356 -3.009 -9.795 1.00 0.00 H new ATOM 0 HG23 VAL A 23 56.217 -1.533 -8.810 1.00 0.00 H new ATOM 343 N GLY A 24 57.388 -3.466 -4.892 1.00 0.00 N ATOM 344 CA GLY A 24 58.002 -3.968 -3.632 1.00 0.00 C ATOM 345 C GLY A 24 57.039 -3.695 -2.470 1.00 0.00 C ATOM 346 O GLY A 24 56.126 -2.905 -2.601 1.00 0.00 O ATOM 0 H GLY A 24 57.122 -2.481 -4.880 1.00 0.00 H new ATOM 0 HA2 GLY A 24 58.205 -5.036 -3.711 1.00 0.00 H new ATOM 0 HA3 GLY A 24 58.957 -3.474 -3.455 1.00 0.00 H new ATOM 350 N PRO A 25 57.269 -4.360 -1.365 1.00 0.00 N ATOM 351 CA PRO A 25 56.402 -4.186 -0.175 1.00 0.00 C ATOM 352 C PRO A 25 56.455 -2.738 0.323 1.00 0.00 C ATOM 353 O PRO A 25 57.488 -2.102 0.295 1.00 0.00 O ATOM 354 CB PRO A 25 57.035 -5.137 0.845 1.00 0.00 C ATOM 355 CG PRO A 25 58.251 -5.825 0.193 1.00 0.00 C ATOM 356 CD PRO A 25 58.396 -5.312 -1.246 1.00 0.00 C ATOM 0 HA PRO A 25 55.350 -4.397 -0.367 1.00 0.00 H new ATOM 0 HB2 PRO A 25 57.344 -4.586 1.733 1.00 0.00 H new ATOM 0 HB3 PRO A 25 56.308 -5.882 1.169 1.00 0.00 H new ATOM 0 HG2 PRO A 25 59.156 -5.612 0.763 1.00 0.00 H new ATOM 0 HG3 PRO A 25 58.119 -6.907 0.197 1.00 0.00 H new ATOM 0 HD2 PRO A 25 59.357 -4.824 -1.407 1.00 0.00 H new ATOM 0 HD3 PRO A 25 58.322 -6.120 -1.974 1.00 0.00 H new ATOM 364 N ALA A 26 55.349 -2.215 0.779 1.00 0.00 N ATOM 365 CA ALA A 26 55.344 -0.811 1.282 1.00 0.00 C ATOM 366 C ALA A 26 56.584 -0.562 2.143 1.00 0.00 C ATOM 367 O ALA A 26 57.074 -1.448 2.813 1.00 0.00 O ATOM 368 CB ALA A 26 54.075 -0.693 2.125 1.00 0.00 C ATOM 0 H ALA A 26 54.451 -2.697 0.825 1.00 0.00 H new ATOM 0 HA ALA A 26 55.361 -0.081 0.473 1.00 0.00 H new ATOM 0 HB1 ALA A 26 54.001 0.316 2.531 1.00 0.00 H new ATOM 0 HB2 ALA A 26 53.204 -0.899 1.502 1.00 0.00 H new ATOM 0 HB3 ALA A 26 54.114 -1.412 2.944 1.00 0.00 H new ATOM 374 N TYR A 27 57.099 0.637 2.132 1.00 0.00 N ATOM 375 CA TYR A 27 58.307 0.930 2.950 1.00 0.00 C ATOM 376 C TYR A 27 57.981 0.797 4.441 1.00 0.00 C ATOM 377 O TYR A 27 58.548 -0.021 5.138 1.00 0.00 O ATOM 378 CB TYR A 27 58.675 2.374 2.610 1.00 0.00 C ATOM 379 CG TYR A 27 59.555 2.414 1.380 1.00 0.00 C ATOM 380 CD1 TYR A 27 60.556 1.451 1.187 1.00 0.00 C ATOM 381 CD2 TYR A 27 59.369 3.427 0.431 1.00 0.00 C ATOM 382 CE1 TYR A 27 61.367 1.505 0.047 1.00 0.00 C ATOM 383 CE2 TYR A 27 60.180 3.480 -0.707 1.00 0.00 C ATOM 384 CZ TYR A 27 61.180 2.519 -0.900 1.00 0.00 C ATOM 385 OH TYR A 27 61.981 2.574 -2.021 1.00 0.00 O ATOM 0 H TYR A 27 56.736 1.423 1.593 1.00 0.00 H new ATOM 0 HA TYR A 27 59.125 0.240 2.740 1.00 0.00 H new ATOM 0 HB2 TYR A 27 57.770 2.956 2.437 1.00 0.00 H new ATOM 0 HB3 TYR A 27 59.194 2.833 3.452 1.00 0.00 H new ATOM 0 HD1 TYR A 27 60.701 0.668 1.917 1.00 0.00 H new ATOM 0 HD2 TYR A 27 58.598 4.169 0.578 1.00 0.00 H new ATOM 0 HE1 TYR A 27 62.138 0.763 -0.102 1.00 0.00 H new ATOM 0 HE2 TYR A 27 60.035 4.262 -1.437 1.00 0.00 H new ATOM 0 HH TYR A 27 61.570 3.163 -2.688 1.00 0.00 H new ATOM 395 N LYS A 28 57.073 1.591 4.939 1.00 0.00 N ATOM 396 CA LYS A 28 56.721 1.496 6.384 1.00 0.00 C ATOM 397 C LYS A 28 56.504 0.032 6.756 1.00 0.00 C ATOM 398 O LYS A 28 57.031 -0.458 7.735 1.00 0.00 O ATOM 399 CB LYS A 28 55.425 2.292 6.541 1.00 0.00 C ATOM 400 CG LYS A 28 55.483 3.122 7.826 1.00 0.00 C ATOM 401 CD LYS A 28 54.206 3.956 7.949 1.00 0.00 C ATOM 402 CE LYS A 28 54.507 5.408 7.571 1.00 0.00 C ATOM 403 NZ LYS A 28 54.256 6.188 8.815 1.00 0.00 N ATOM 0 H LYS A 28 56.562 2.298 4.411 1.00 0.00 H new ATOM 0 HA LYS A 28 57.505 1.886 7.033 1.00 0.00 H new ATOM 0 HB2 LYS A 28 55.282 2.945 5.680 1.00 0.00 H new ATOM 0 HB3 LYS A 28 54.572 1.614 6.572 1.00 0.00 H new ATOM 0 HG2 LYS A 28 55.588 2.467 8.691 1.00 0.00 H new ATOM 0 HG3 LYS A 28 56.357 3.774 7.812 1.00 0.00 H new ATOM 0 HD2 LYS A 28 53.431 3.552 7.297 1.00 0.00 H new ATOM 0 HD3 LYS A 28 53.823 3.906 8.968 1.00 0.00 H new ATOM 0 HE2 LYS A 28 55.537 5.523 7.234 1.00 0.00 H new ATOM 0 HE3 LYS A 28 53.865 5.745 6.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 54.441 7.196 8.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 53.266 6.065 9.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 54.886 5.849 9.570 1.00 0.00 H new ATOM 417 N ASP A 29 55.739 -0.670 5.971 1.00 0.00 N ATOM 418 CA ASP A 29 55.494 -2.112 6.271 1.00 0.00 C ATOM 419 C ASP A 29 56.829 -2.852 6.398 1.00 0.00 C ATOM 420 O ASP A 29 57.009 -3.687 7.262 1.00 0.00 O ATOM 421 CB ASP A 29 54.701 -2.639 5.073 1.00 0.00 C ATOM 422 CG ASP A 29 53.205 -2.431 5.317 1.00 0.00 C ATOM 423 OD1 ASP A 29 52.849 -1.387 5.836 1.00 0.00 O ATOM 424 OD2 ASP A 29 52.442 -3.321 4.980 1.00 0.00 O ATOM 0 H ASP A 29 55.273 -0.313 5.137 1.00 0.00 H new ATOM 0 HA ASP A 29 54.956 -2.256 7.208 1.00 0.00 H new ATOM 0 HB2 ASP A 29 55.007 -2.120 4.165 1.00 0.00 H new ATOM 0 HB3 ASP A 29 54.911 -3.698 4.922 1.00 0.00 H new ATOM 429 N VAL A 30 57.770 -2.548 5.543 1.00 0.00 N ATOM 430 CA VAL A 30 59.095 -3.231 5.612 1.00 0.00 C ATOM 431 C VAL A 30 59.706 -3.057 7.004 1.00 0.00 C ATOM 432 O VAL A 30 60.223 -3.990 7.588 1.00 0.00 O ATOM 433 CB VAL A 30 59.962 -2.535 4.560 1.00 0.00 C ATOM 434 CG1 VAL A 30 61.382 -3.102 4.608 1.00 0.00 C ATOM 435 CG2 VAL A 30 59.368 -2.772 3.169 1.00 0.00 C ATOM 0 H VAL A 30 57.678 -1.856 4.800 1.00 0.00 H new ATOM 0 HA VAL A 30 59.014 -4.302 5.428 1.00 0.00 H new ATOM 0 HB VAL A 30 59.991 -1.465 4.767 1.00 0.00 H new ATOM 0 HG11 VAL A 30 61.998 -2.605 3.858 1.00 0.00 H new ATOM 0 HG12 VAL A 30 61.808 -2.933 5.597 1.00 0.00 H new ATOM 0 HG13 VAL A 30 61.354 -4.172 4.403 1.00 0.00 H new ATOM 0 HG21 VAL A 30 59.986 -2.276 2.420 1.00 0.00 H new ATOM 0 HG22 VAL A 30 59.338 -3.842 2.964 1.00 0.00 H new ATOM 0 HG23 VAL A 30 58.357 -2.367 3.131 1.00 0.00 H new ATOM 445 N ALA A 31 59.655 -1.869 7.535 1.00 0.00 N ATOM 446 CA ALA A 31 60.234 -1.628 8.888 1.00 0.00 C ATOM 447 C ALA A 31 59.416 -2.358 9.956 1.00 0.00 C ATOM 448 O ALA A 31 59.931 -2.762 10.978 1.00 0.00 O ATOM 449 CB ALA A 31 60.150 -0.115 9.093 1.00 0.00 C ATOM 0 H ALA A 31 59.237 -1.052 7.091 1.00 0.00 H new ATOM 0 HA ALA A 31 61.257 -1.995 8.967 1.00 0.00 H new ATOM 0 HB1 ALA A 31 60.558 0.143 10.070 1.00 0.00 H new ATOM 0 HB2 ALA A 31 60.723 0.390 8.315 1.00 0.00 H new ATOM 0 HB3 ALA A 31 59.109 0.202 9.040 1.00 0.00 H new ATOM 455 N ALA A 32 58.144 -2.526 9.726 1.00 0.00 N ATOM 456 CA ALA A 32 57.293 -3.227 10.729 1.00 0.00 C ATOM 457 C ALA A 32 57.624 -4.722 10.758 1.00 0.00 C ATOM 458 O ALA A 32 57.414 -5.394 11.749 1.00 0.00 O ATOM 459 CB ALA A 32 55.857 -3.001 10.255 1.00 0.00 C ATOM 0 H ALA A 32 57.657 -2.209 8.888 1.00 0.00 H new ATOM 0 HA ALA A 32 57.452 -2.852 11.740 1.00 0.00 H new ATOM 0 HB1 ALA A 32 55.166 -3.488 10.943 1.00 0.00 H new ATOM 0 HB2 ALA A 32 55.647 -1.932 10.226 1.00 0.00 H new ATOM 0 HB3 ALA A 32 55.733 -3.422 9.257 1.00 0.00 H new ATOM 465 N LYS A 33 58.139 -5.249 9.681 1.00 0.00 N ATOM 466 CA LYS A 33 58.479 -6.699 9.652 1.00 0.00 C ATOM 467 C LYS A 33 59.918 -6.915 10.130 1.00 0.00 C ATOM 468 O LYS A 33 60.216 -7.875 10.812 1.00 0.00 O ATOM 469 CB LYS A 33 58.322 -7.116 8.188 1.00 0.00 C ATOM 470 CG LYS A 33 57.923 -8.593 8.118 1.00 0.00 C ATOM 471 CD LYS A 33 56.481 -8.756 8.605 1.00 0.00 C ATOM 472 CE LYS A 33 55.512 -8.377 7.481 1.00 0.00 C ATOM 473 NZ LYS A 33 54.278 -7.908 8.174 1.00 0.00 N ATOM 0 H LYS A 33 58.339 -4.738 8.821 1.00 0.00 H new ATOM 0 HA LYS A 33 57.839 -7.288 10.309 1.00 0.00 H new ATOM 0 HB2 LYS A 33 57.565 -6.500 7.703 1.00 0.00 H new ATOM 0 HB3 LYS A 33 59.256 -6.955 7.651 1.00 0.00 H new ATOM 0 HG2 LYS A 33 58.016 -8.958 7.095 1.00 0.00 H new ATOM 0 HG3 LYS A 33 58.595 -9.192 8.732 1.00 0.00 H new ATOM 0 HD2 LYS A 33 56.306 -9.786 8.917 1.00 0.00 H new ATOM 0 HD3 LYS A 33 56.307 -8.125 9.476 1.00 0.00 H new ATOM 0 HE2 LYS A 33 55.930 -7.595 6.847 1.00 0.00 H new ATOM 0 HE3 LYS A 33 55.302 -9.231 6.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 53.567 -7.631 7.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 53.898 -8.675 8.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 54.507 -7.090 8.774 1.00 0.00 H new ATOM 487 N TYR A 34 60.810 -6.027 9.784 1.00 0.00 N ATOM 488 CA TYR A 34 62.226 -6.185 10.227 1.00 0.00 C ATOM 489 C TYR A 34 62.461 -5.412 11.528 1.00 0.00 C ATOM 490 O TYR A 34 63.550 -5.404 12.068 1.00 0.00 O ATOM 491 CB TYR A 34 63.068 -5.593 9.098 1.00 0.00 C ATOM 492 CG TYR A 34 63.400 -6.674 8.097 1.00 0.00 C ATOM 493 CD1 TYR A 34 62.393 -7.219 7.292 1.00 0.00 C ATOM 494 CD2 TYR A 34 64.718 -7.131 7.975 1.00 0.00 C ATOM 495 CE1 TYR A 34 62.704 -8.220 6.362 1.00 0.00 C ATOM 496 CE2 TYR A 34 65.030 -8.132 7.047 1.00 0.00 C ATOM 497 CZ TYR A 34 64.023 -8.676 6.240 1.00 0.00 C ATOM 498 OH TYR A 34 64.330 -9.660 5.324 1.00 0.00 O ATOM 0 H TYR A 34 60.621 -5.201 9.216 1.00 0.00 H new ATOM 0 HA TYR A 34 62.481 -7.227 10.422 1.00 0.00 H new ATOM 0 HB2 TYR A 34 62.524 -4.785 8.609 1.00 0.00 H new ATOM 0 HB3 TYR A 34 63.984 -5.162 9.501 1.00 0.00 H new ATOM 0 HD1 TYR A 34 61.376 -6.868 7.388 1.00 0.00 H new ATOM 0 HD2 TYR A 34 65.494 -6.711 8.597 1.00 0.00 H new ATOM 0 HE1 TYR A 34 61.927 -8.640 5.740 1.00 0.00 H new ATOM 0 HE2 TYR A 34 66.047 -8.484 6.954 1.00 0.00 H new ATOM 0 HH TYR A 34 65.289 -9.859 5.367 1.00 0.00 H new ATOM 508 N ALA A 35 61.449 -4.758 12.032 1.00 0.00 N ATOM 509 CA ALA A 35 61.617 -3.981 13.295 1.00 0.00 C ATOM 510 C ALA A 35 62.186 -4.875 14.401 1.00 0.00 C ATOM 511 O ALA A 35 61.505 -5.724 14.940 1.00 0.00 O ATOM 512 CB ALA A 35 60.211 -3.506 13.662 1.00 0.00 C ATOM 0 H ALA A 35 60.514 -4.728 11.625 1.00 0.00 H new ATOM 0 HA ALA A 35 62.310 -3.149 13.174 1.00 0.00 H new ATOM 0 HB1 ALA A 35 60.252 -2.925 14.583 1.00 0.00 H new ATOM 0 HB2 ALA A 35 59.816 -2.884 12.859 1.00 0.00 H new ATOM 0 HB3 ALA A 35 59.561 -4.369 13.806 1.00 0.00 H new ATOM 518 N GLY A 36 63.433 -4.688 14.743 1.00 0.00 N ATOM 519 CA GLY A 36 64.049 -5.523 15.815 1.00 0.00 C ATOM 520 C GLY A 36 65.085 -6.461 15.196 1.00 0.00 C ATOM 521 O GLY A 36 64.843 -7.638 15.018 1.00 0.00 O ATOM 0 H GLY A 36 64.052 -3.993 14.326 1.00 0.00 H new ATOM 0 HA2 GLY A 36 64.521 -4.885 16.562 1.00 0.00 H new ATOM 0 HA3 GLY A 36 63.280 -6.100 16.328 1.00 0.00 H new ATOM 525 N GLN A 37 66.240 -5.950 14.864 1.00 0.00 N ATOM 526 CA GLN A 37 67.287 -6.817 14.252 1.00 0.00 C ATOM 527 C GLN A 37 68.681 -6.366 14.698 1.00 0.00 C ATOM 528 O GLN A 37 68.852 -5.306 15.265 1.00 0.00 O ATOM 529 CB GLN A 37 67.120 -6.631 12.744 1.00 0.00 C ATOM 530 CG GLN A 37 66.310 -7.797 12.172 1.00 0.00 C ATOM 531 CD GLN A 37 66.919 -8.240 10.841 1.00 0.00 C ATOM 532 OE1 GLN A 37 67.770 -7.566 10.295 1.00 0.00 O ATOM 533 NE2 GLN A 37 66.515 -9.353 10.291 1.00 0.00 N ATOM 0 H GLN A 37 66.503 -4.973 14.990 1.00 0.00 H new ATOM 0 HA GLN A 37 67.184 -7.860 14.550 1.00 0.00 H new ATOM 0 HB2 GLN A 37 66.615 -5.687 12.537 1.00 0.00 H new ATOM 0 HB3 GLN A 37 68.097 -6.582 12.263 1.00 0.00 H new ATOM 0 HG2 GLN A 37 66.305 -8.629 12.876 1.00 0.00 H new ATOM 0 HG3 GLN A 37 65.273 -7.496 12.027 1.00 0.00 H new ATOM 0 HE21 GLN A 37 65.801 -9.919 10.750 1.00 0.00 H new ATOM 0 HE22 GLN A 37 66.914 -9.657 9.403 1.00 0.00 H new ATOM 542 N ALA A 38 69.681 -7.167 14.443 1.00 0.00 N ATOM 543 CA ALA A 38 71.064 -6.789 14.851 1.00 0.00 C ATOM 544 C ALA A 38 71.706 -5.893 13.788 1.00 0.00 C ATOM 545 O ALA A 38 72.859 -6.055 13.439 1.00 0.00 O ATOM 546 CB ALA A 38 71.818 -8.113 14.961 1.00 0.00 C ATOM 0 H ALA A 38 69.599 -8.067 13.970 1.00 0.00 H new ATOM 0 HA ALA A 38 71.080 -6.230 15.787 1.00 0.00 H new ATOM 0 HB1 ALA A 38 72.849 -7.921 15.258 1.00 0.00 H new ATOM 0 HB2 ALA A 38 71.337 -8.745 15.707 1.00 0.00 H new ATOM 0 HB3 ALA A 38 71.807 -8.619 13.996 1.00 0.00 H new ATOM 552 N GLY A 39 70.969 -4.949 13.270 1.00 0.00 N ATOM 553 CA GLY A 39 71.537 -4.045 12.231 1.00 0.00 C ATOM 554 C GLY A 39 70.793 -4.253 10.912 1.00 0.00 C ATOM 555 O GLY A 39 71.393 -4.370 9.862 1.00 0.00 O ATOM 0 H GLY A 39 69.998 -4.765 13.522 1.00 0.00 H new ATOM 0 HA2 GLY A 39 71.450 -3.006 12.550 1.00 0.00 H new ATOM 0 HA3 GLY A 39 72.599 -4.249 12.098 1.00 0.00 H new ATOM 559 N ALA A 40 69.490 -4.301 10.955 1.00 0.00 N ATOM 560 CA ALA A 40 68.709 -4.503 9.700 1.00 0.00 C ATOM 561 C ALA A 40 68.933 -3.330 8.745 1.00 0.00 C ATOM 562 O ALA A 40 68.872 -3.479 7.541 1.00 0.00 O ATOM 563 CB ALA A 40 67.249 -4.567 10.144 1.00 0.00 C ATOM 0 H ALA A 40 68.932 -4.209 11.804 1.00 0.00 H new ATOM 0 HA ALA A 40 69.009 -5.406 9.168 1.00 0.00 H new ATOM 0 HB1 ALA A 40 66.610 -4.715 9.273 1.00 0.00 H new ATOM 0 HB2 ALA A 40 67.116 -5.398 10.837 1.00 0.00 H new ATOM 0 HB3 ALA A 40 66.978 -3.634 10.639 1.00 0.00 H new ATOM 569 N GLU A 41 69.203 -2.168 9.270 1.00 0.00 N ATOM 570 CA GLU A 41 69.444 -0.995 8.384 1.00 0.00 C ATOM 571 C GLU A 41 70.799 -1.157 7.693 1.00 0.00 C ATOM 572 O GLU A 41 70.978 -0.784 6.550 1.00 0.00 O ATOM 573 CB GLU A 41 69.447 0.219 9.317 1.00 0.00 C ATOM 574 CG GLU A 41 70.119 1.402 8.616 1.00 0.00 C ATOM 575 CD GLU A 41 71.554 1.544 9.124 1.00 0.00 C ATOM 576 OE1 GLU A 41 71.885 0.889 10.098 1.00 0.00 O ATOM 577 OE2 GLU A 41 72.299 2.306 8.530 1.00 0.00 O ATOM 0 H GLU A 41 69.267 -1.980 10.270 1.00 0.00 H new ATOM 0 HA GLU A 41 68.691 -0.891 7.603 1.00 0.00 H new ATOM 0 HB2 GLU A 41 68.426 0.480 9.595 1.00 0.00 H new ATOM 0 HB3 GLU A 41 69.977 -0.019 10.239 1.00 0.00 H new ATOM 0 HG2 GLU A 41 70.117 1.249 7.537 1.00 0.00 H new ATOM 0 HG3 GLU A 41 69.561 2.318 8.809 1.00 0.00 H new ATOM 584 N ALA A 42 71.752 -1.732 8.379 1.00 0.00 N ATOM 585 CA ALA A 42 73.092 -1.940 7.763 1.00 0.00 C ATOM 586 C ALA A 42 72.967 -2.929 6.602 1.00 0.00 C ATOM 587 O ALA A 42 73.401 -2.664 5.497 1.00 0.00 O ATOM 588 CB ALA A 42 73.959 -2.523 8.880 1.00 0.00 C ATOM 0 H ALA A 42 71.659 -2.066 9.338 1.00 0.00 H new ATOM 0 HA ALA A 42 73.521 -1.021 7.364 1.00 0.00 H new ATOM 0 HB1 ALA A 42 74.965 -2.704 8.502 1.00 0.00 H new ATOM 0 HB2 ALA A 42 74.005 -1.819 9.711 1.00 0.00 H new ATOM 0 HB3 ALA A 42 73.526 -3.462 9.224 1.00 0.00 H new ATOM 594 N TYR A 43 72.358 -4.063 6.835 1.00 0.00 N ATOM 595 CA TYR A 43 72.193 -5.050 5.735 1.00 0.00 C ATOM 596 C TYR A 43 71.231 -4.477 4.698 1.00 0.00 C ATOM 597 O TYR A 43 71.297 -4.797 3.530 1.00 0.00 O ATOM 598 CB TYR A 43 71.617 -6.302 6.401 1.00 0.00 C ATOM 599 CG TYR A 43 71.608 -7.449 5.419 1.00 0.00 C ATOM 600 CD1 TYR A 43 72.815 -8.018 4.993 1.00 0.00 C ATOM 601 CD2 TYR A 43 70.391 -7.949 4.941 1.00 0.00 C ATOM 602 CE1 TYR A 43 72.802 -9.086 4.086 1.00 0.00 C ATOM 603 CE2 TYR A 43 70.379 -9.015 4.034 1.00 0.00 C ATOM 604 CZ TYR A 43 71.584 -9.584 3.608 1.00 0.00 C ATOM 605 OH TYR A 43 71.572 -10.636 2.715 1.00 0.00 O ATOM 0 H TYR A 43 71.971 -4.344 7.736 1.00 0.00 H new ATOM 0 HA TYR A 43 73.125 -5.280 5.219 1.00 0.00 H new ATOM 0 HB2 TYR A 43 72.212 -6.565 7.276 1.00 0.00 H new ATOM 0 HB3 TYR A 43 70.604 -6.104 6.752 1.00 0.00 H new ATOM 0 HD1 TYR A 43 73.754 -7.634 5.363 1.00 0.00 H new ATOM 0 HD2 TYR A 43 69.461 -7.512 5.272 1.00 0.00 H new ATOM 0 HE1 TYR A 43 73.732 -9.525 3.756 1.00 0.00 H new ATOM 0 HE2 TYR A 43 69.440 -9.398 3.663 1.00 0.00 H new ATOM 0 HH TYR A 43 70.754 -11.161 2.839 1.00 0.00 H new ATOM 615 N LEU A 44 70.359 -3.599 5.114 1.00 0.00 N ATOM 616 CA LEU A 44 69.424 -2.971 4.144 1.00 0.00 C ATOM 617 C LEU A 44 70.241 -2.071 3.223 1.00 0.00 C ATOM 618 O LEU A 44 69.877 -1.810 2.097 1.00 0.00 O ATOM 619 CB LEU A 44 68.452 -2.150 4.996 1.00 0.00 C ATOM 620 CG LEU A 44 67.277 -3.035 5.422 1.00 0.00 C ATOM 621 CD1 LEU A 44 66.441 -2.303 6.474 1.00 0.00 C ATOM 622 CD2 LEU A 44 66.404 -3.345 4.204 1.00 0.00 C ATOM 0 H LEU A 44 70.256 -3.292 6.081 1.00 0.00 H new ATOM 0 HA LEU A 44 68.884 -3.689 3.527 1.00 0.00 H new ATOM 0 HB2 LEU A 44 68.964 -1.758 5.875 1.00 0.00 H new ATOM 0 HB3 LEU A 44 68.089 -1.293 4.429 1.00 0.00 H new ATOM 0 HG LEU A 44 67.658 -3.965 5.843 1.00 0.00 H new ATOM 0 HD11 LEU A 44 65.605 -2.933 6.777 1.00 0.00 H new ATOM 0 HD12 LEU A 44 67.062 -2.081 7.342 1.00 0.00 H new ATOM 0 HD13 LEU A 44 66.060 -1.372 6.053 1.00 0.00 H new ATOM 0 HD21 LEU A 44 65.568 -3.975 4.507 1.00 0.00 H new ATOM 0 HD22 LEU A 44 66.024 -2.414 3.783 1.00 0.00 H new ATOM 0 HD23 LEU A 44 66.998 -3.867 3.454 1.00 0.00 H new ATOM 634 N ALA A 45 71.366 -1.613 3.703 1.00 0.00 N ATOM 635 CA ALA A 45 72.237 -0.748 2.868 1.00 0.00 C ATOM 636 C ALA A 45 72.986 -1.606 1.852 1.00 0.00 C ATOM 637 O ALA A 45 73.144 -1.233 0.705 1.00 0.00 O ATOM 638 CB ALA A 45 73.214 -0.100 3.849 1.00 0.00 C ATOM 0 H ALA A 45 71.717 -1.804 4.641 1.00 0.00 H new ATOM 0 HA ALA A 45 71.674 -0.000 2.310 1.00 0.00 H new ATOM 0 HB1 ALA A 45 73.893 0.557 3.306 1.00 0.00 H new ATOM 0 HB2 ALA A 45 72.659 0.481 4.585 1.00 0.00 H new ATOM 0 HB3 ALA A 45 73.788 -0.875 4.357 1.00 0.00 H new ATOM 644 N GLN A 46 73.445 -2.758 2.258 1.00 0.00 N ATOM 645 CA GLN A 46 74.177 -3.631 1.299 1.00 0.00 C ATOM 646 C GLN A 46 73.185 -4.312 0.355 1.00 0.00 C ATOM 647 O GLN A 46 73.535 -4.740 -0.728 1.00 0.00 O ATOM 648 CB GLN A 46 74.902 -4.662 2.162 1.00 0.00 C ATOM 649 CG GLN A 46 76.408 -4.400 2.106 1.00 0.00 C ATOM 650 CD GLN A 46 77.073 -4.968 3.361 1.00 0.00 C ATOM 651 OE1 GLN A 46 77.638 -4.235 4.147 1.00 0.00 O ATOM 652 NE2 GLN A 46 77.028 -6.253 3.582 1.00 0.00 N ATOM 0 H GLN A 46 73.346 -3.129 3.203 1.00 0.00 H new ATOM 0 HA GLN A 46 74.876 -3.070 0.678 1.00 0.00 H new ATOM 0 HB2 GLN A 46 74.549 -4.604 3.192 1.00 0.00 H new ATOM 0 HB3 GLN A 46 74.683 -5.669 1.807 1.00 0.00 H new ATOM 0 HG2 GLN A 46 76.835 -4.861 1.215 1.00 0.00 H new ATOM 0 HG3 GLN A 46 76.599 -3.329 2.034 1.00 0.00 H new ATOM 0 HE21 GLN A 46 76.553 -6.868 2.921 1.00 0.00 H new ATOM 0 HE22 GLN A 46 77.468 -6.643 4.416 1.00 0.00 H new ATOM 661 N ARG A 47 71.948 -4.404 0.753 1.00 0.00 N ATOM 662 CA ARG A 47 70.928 -5.043 -0.124 1.00 0.00 C ATOM 663 C ARG A 47 70.308 -3.989 -1.038 1.00 0.00 C ATOM 664 O ARG A 47 69.739 -4.298 -2.065 1.00 0.00 O ATOM 665 CB ARG A 47 69.881 -5.617 0.830 1.00 0.00 C ATOM 666 CG ARG A 47 70.490 -6.782 1.611 1.00 0.00 C ATOM 667 CD ARG A 47 70.791 -7.936 0.652 1.00 0.00 C ATOM 668 NE ARG A 47 69.680 -8.904 0.856 1.00 0.00 N ATOM 669 CZ ARG A 47 69.742 -10.094 0.327 1.00 0.00 C ATOM 670 NH1 ARG A 47 70.779 -10.442 -0.387 1.00 0.00 N ATOM 671 NH2 ARG A 47 68.764 -10.938 0.510 1.00 0.00 N ATOM 0 H ARG A 47 71.598 -4.064 1.649 1.00 0.00 H new ATOM 0 HA ARG A 47 71.351 -5.818 -0.764 1.00 0.00 H new ATOM 0 HB2 ARG A 47 69.537 -4.844 1.517 1.00 0.00 H new ATOM 0 HB3 ARG A 47 69.010 -5.956 0.270 1.00 0.00 H new ATOM 0 HG2 ARG A 47 71.405 -6.461 2.110 1.00 0.00 H new ATOM 0 HG3 ARG A 47 69.802 -7.112 2.389 1.00 0.00 H new ATOM 0 HD2 ARG A 47 70.829 -7.591 -0.381 1.00 0.00 H new ATOM 0 HD3 ARG A 47 71.757 -8.391 0.872 1.00 0.00 H new ATOM 0 HE ARG A 47 68.867 -8.636 1.411 1.00 0.00 H new ATOM 0 HH11 ARG A 47 71.543 -9.782 -0.532 1.00 0.00 H new ATOM 0 HH12 ARG A 47 70.825 -11.374 -0.800 1.00 0.00 H new ATOM 0 HH21 ARG A 47 67.953 -10.666 1.066 1.00 0.00 H new ATOM 0 HH22 ARG A 47 68.810 -11.870 0.097 1.00 0.00 H new ATOM 685 N ILE A 48 70.427 -2.744 -0.673 1.00 0.00 N ATOM 686 CA ILE A 48 69.863 -1.661 -1.523 1.00 0.00 C ATOM 687 C ILE A 48 70.876 -1.290 -2.606 1.00 0.00 C ATOM 688 O ILE A 48 70.521 -0.886 -3.695 1.00 0.00 O ATOM 689 CB ILE A 48 69.633 -0.487 -0.571 1.00 0.00 C ATOM 690 CG1 ILE A 48 68.390 -0.757 0.282 1.00 0.00 C ATOM 691 CG2 ILE A 48 69.430 0.795 -1.379 1.00 0.00 C ATOM 692 CD1 ILE A 48 68.385 0.187 1.486 1.00 0.00 C ATOM 0 H ILE A 48 70.891 -2.429 0.179 1.00 0.00 H new ATOM 0 HA ILE A 48 68.941 -1.953 -2.025 1.00 0.00 H new ATOM 0 HB ILE A 48 70.501 -0.371 0.078 1.00 0.00 H new ATOM 0 HG12 ILE A 48 67.488 -0.610 -0.313 1.00 0.00 H new ATOM 0 HG13 ILE A 48 68.385 -1.794 0.619 1.00 0.00 H new ATOM 0 HG21 ILE A 48 69.266 1.631 -0.699 1.00 0.00 H new ATOM 0 HG22 ILE A 48 70.316 0.988 -1.984 1.00 0.00 H new ATOM 0 HG23 ILE A 48 68.563 0.681 -2.030 1.00 0.00 H new ATOM 0 HD11 ILE A 48 67.501 -0.004 2.094 1.00 0.00 H new ATOM 0 HD12 ILE A 48 69.280 0.018 2.084 1.00 0.00 H new ATOM 0 HD13 ILE A 48 68.370 1.220 1.138 1.00 0.00 H new ATOM 704 N LYS A 49 72.140 -1.435 -2.311 1.00 0.00 N ATOM 705 CA LYS A 49 73.186 -1.100 -3.316 1.00 0.00 C ATOM 706 C LYS A 49 73.368 -2.263 -4.297 1.00 0.00 C ATOM 707 O LYS A 49 73.789 -2.077 -5.422 1.00 0.00 O ATOM 708 CB LYS A 49 74.460 -0.889 -2.498 1.00 0.00 C ATOM 709 CG LYS A 49 75.550 -0.299 -3.395 1.00 0.00 C ATOM 710 CD LYS A 49 76.509 0.537 -2.547 1.00 0.00 C ATOM 711 CE LYS A 49 77.219 -0.367 -1.537 1.00 0.00 C ATOM 712 NZ LYS A 49 76.797 0.142 -0.201 1.00 0.00 N ATOM 0 H LYS A 49 72.492 -1.772 -1.415 1.00 0.00 H new ATOM 0 HA LYS A 49 72.927 -0.222 -3.908 1.00 0.00 H new ATOM 0 HB2 LYS A 49 74.261 -0.220 -1.661 1.00 0.00 H new ATOM 0 HB3 LYS A 49 74.795 -1.836 -2.076 1.00 0.00 H new ATOM 0 HG2 LYS A 49 76.094 -1.098 -3.898 1.00 0.00 H new ATOM 0 HG3 LYS A 49 75.101 0.319 -4.172 1.00 0.00 H new ATOM 0 HD2 LYS A 49 77.241 1.030 -3.187 1.00 0.00 H new ATOM 0 HD3 LYS A 49 75.961 1.322 -2.026 1.00 0.00 H new ATOM 0 HE2 LYS A 49 76.932 -1.410 -1.671 1.00 0.00 H new ATOM 0 HE3 LYS A 49 78.301 -0.317 -1.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 76.996 -0.577 0.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 77.322 1.012 0.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 75.778 0.347 -0.214 1.00 0.00 H new ATOM 726 N ASN A 50 73.060 -3.460 -3.877 1.00 0.00 N ATOM 727 CA ASN A 50 73.221 -4.633 -4.783 1.00 0.00 C ATOM 728 C ASN A 50 71.870 -5.324 -5.010 1.00 0.00 C ATOM 729 O ASN A 50 71.765 -6.267 -5.769 1.00 0.00 O ATOM 730 CB ASN A 50 74.183 -5.567 -4.046 1.00 0.00 C ATOM 731 CG ASN A 50 75.582 -5.447 -4.655 1.00 0.00 C ATOM 732 OD1 ASN A 50 76.452 -4.813 -4.091 1.00 0.00 O ATOM 733 ND2 ASN A 50 75.838 -6.036 -5.792 1.00 0.00 N ATOM 0 H ASN A 50 72.704 -3.676 -2.946 1.00 0.00 H new ATOM 0 HA ASN A 50 73.596 -4.347 -5.766 1.00 0.00 H new ATOM 0 HB2 ASN A 50 74.213 -5.312 -2.987 1.00 0.00 H new ATOM 0 HB3 ASN A 50 73.832 -6.596 -4.116 1.00 0.00 H new ATOM 0 HD21 ASN A 50 76.767 -5.964 -6.206 1.00 0.00 H new ATOM 0 HD22 ASN A 50 75.109 -6.568 -6.266 1.00 0.00 H new ATOM 740 N GLY A 51 70.839 -4.859 -4.355 1.00 0.00 N ATOM 741 CA GLY A 51 69.491 -5.484 -4.521 1.00 0.00 C ATOM 742 C GLY A 51 69.615 -7.002 -4.363 1.00 0.00 C ATOM 743 O GLY A 51 70.694 -7.517 -4.145 1.00 0.00 O ATOM 0 H GLY A 51 70.871 -4.070 -3.709 1.00 0.00 H new ATOM 0 HA2 GLY A 51 68.799 -5.085 -3.780 1.00 0.00 H new ATOM 0 HA3 GLY A 51 69.083 -5.241 -5.502 1.00 0.00 H new ATOM 747 N SER A 52 68.530 -7.732 -4.468 1.00 0.00 N ATOM 748 CA SER A 52 68.630 -9.226 -4.315 1.00 0.00 C ATOM 749 C SER A 52 67.251 -9.874 -4.151 1.00 0.00 C ATOM 750 O SER A 52 66.263 -9.212 -3.906 1.00 0.00 O ATOM 751 CB SER A 52 69.461 -9.453 -3.051 1.00 0.00 C ATOM 752 OG SER A 52 70.720 -10.006 -3.408 1.00 0.00 O ATOM 0 H SER A 52 67.594 -7.370 -4.650 1.00 0.00 H new ATOM 0 HA SER A 52 69.080 -9.675 -5.200 1.00 0.00 H new ATOM 0 HB2 SER A 52 69.602 -8.511 -2.521 1.00 0.00 H new ATOM 0 HB3 SER A 52 68.935 -10.125 -2.372 1.00 0.00 H new ATOM 0 HG SER A 52 71.261 -9.324 -3.858 1.00 0.00 H new ATOM 758 N GLN A 53 67.186 -11.177 -4.276 1.00 0.00 N ATOM 759 CA GLN A 53 65.881 -11.883 -4.123 1.00 0.00 C ATOM 760 C GLN A 53 65.844 -12.621 -2.778 1.00 0.00 C ATOM 761 O GLN A 53 66.753 -12.510 -1.977 1.00 0.00 O ATOM 762 CB GLN A 53 65.807 -12.844 -5.333 1.00 0.00 C ATOM 763 CG GLN A 53 65.944 -14.316 -4.914 1.00 0.00 C ATOM 764 CD GLN A 53 67.288 -14.532 -4.217 1.00 0.00 C ATOM 765 OE1 GLN A 53 67.348 -15.122 -3.155 1.00 0.00 O ATOM 766 NE2 GLN A 53 68.377 -14.080 -4.775 1.00 0.00 N ATOM 0 H GLN A 53 67.983 -11.781 -4.478 1.00 0.00 H new ATOM 0 HA GLN A 53 65.023 -11.211 -4.114 1.00 0.00 H new ATOM 0 HB2 GLN A 53 64.858 -12.702 -5.850 1.00 0.00 H new ATOM 0 HB3 GLN A 53 66.597 -12.595 -6.042 1.00 0.00 H new ATOM 0 HG2 GLN A 53 65.128 -14.591 -4.245 1.00 0.00 H new ATOM 0 HG3 GLN A 53 65.870 -14.961 -5.789 1.00 0.00 H new ATOM 0 HE21 GLN A 53 68.326 -13.585 -5.666 1.00 0.00 H new ATOM 0 HE22 GLN A 53 69.279 -14.221 -4.321 1.00 0.00 H new ATOM 775 N GLY A 54 64.804 -13.361 -2.518 1.00 0.00 N ATOM 776 CA GLY A 54 64.721 -14.089 -1.221 1.00 0.00 C ATOM 777 C GLY A 54 64.506 -13.071 -0.106 1.00 0.00 C ATOM 778 O GLY A 54 64.754 -13.335 1.054 1.00 0.00 O ATOM 0 H GLY A 54 64.010 -13.494 -3.144 1.00 0.00 H new ATOM 0 HA2 GLY A 54 63.901 -14.807 -1.242 1.00 0.00 H new ATOM 0 HA3 GLY A 54 65.636 -14.655 -1.045 1.00 0.00 H new ATOM 782 N VAL A 55 64.044 -11.904 -0.458 1.00 0.00 N ATOM 783 CA VAL A 55 63.804 -10.849 0.564 1.00 0.00 C ATOM 784 C VAL A 55 62.329 -10.860 0.965 1.00 0.00 C ATOM 785 O VAL A 55 61.976 -11.221 2.071 1.00 0.00 O ATOM 786 CB VAL A 55 64.164 -9.541 -0.142 1.00 0.00 C ATOM 787 CG1 VAL A 55 64.192 -8.398 0.870 1.00 0.00 C ATOM 788 CG2 VAL A 55 65.544 -9.673 -0.792 1.00 0.00 C ATOM 0 H VAL A 55 63.821 -11.635 -1.416 1.00 0.00 H new ATOM 0 HA VAL A 55 64.387 -10.992 1.474 1.00 0.00 H new ATOM 0 HB VAL A 55 63.416 -9.330 -0.907 1.00 0.00 H new ATOM 0 HG11 VAL A 55 64.449 -7.468 0.362 1.00 0.00 H new ATOM 0 HG12 VAL A 55 63.211 -8.299 1.334 1.00 0.00 H new ATOM 0 HG13 VAL A 55 64.936 -8.610 1.638 1.00 0.00 H new ATOM 0 HG21 VAL A 55 65.800 -8.740 -1.295 1.00 0.00 H new ATOM 0 HG22 VAL A 55 66.288 -9.888 -0.025 1.00 0.00 H new ATOM 0 HG23 VAL A 55 65.528 -10.485 -1.519 1.00 0.00 H new ATOM 798 N TRP A 56 61.467 -10.476 0.067 1.00 0.00 N ATOM 799 CA TRP A 56 60.015 -10.468 0.373 1.00 0.00 C ATOM 800 C TRP A 56 59.287 -11.440 -0.556 1.00 0.00 C ATOM 801 O TRP A 56 58.359 -12.119 -0.165 1.00 0.00 O ATOM 802 CB TRP A 56 59.578 -9.036 0.088 1.00 0.00 C ATOM 803 CG TRP A 56 60.190 -8.118 1.096 1.00 0.00 C ATOM 804 CD1 TRP A 56 61.362 -7.462 0.931 1.00 0.00 C ATOM 805 CD2 TRP A 56 59.693 -7.742 2.413 1.00 0.00 C ATOM 806 NE1 TRP A 56 61.614 -6.707 2.061 1.00 0.00 N ATOM 807 CE2 TRP A 56 60.615 -6.846 3.003 1.00 0.00 C ATOM 808 CE3 TRP A 56 58.544 -8.088 3.149 1.00 0.00 C ATOM 809 CZ2 TRP A 56 60.406 -6.310 4.273 1.00 0.00 C ATOM 810 CZ3 TRP A 56 58.332 -7.548 4.429 1.00 0.00 C ATOM 811 CH2 TRP A 56 59.261 -6.662 4.989 1.00 0.00 C ATOM 0 H TRP A 56 61.711 -10.165 -0.873 1.00 0.00 H new ATOM 0 HA TRP A 56 59.795 -10.773 1.396 1.00 0.00 H new ATOM 0 HB2 TRP A 56 59.883 -8.745 -0.917 1.00 0.00 H new ATOM 0 HB3 TRP A 56 58.491 -8.962 0.126 1.00 0.00 H new ATOM 0 HD1 TRP A 56 61.997 -7.519 0.059 1.00 0.00 H new ATOM 0 HE1 TRP A 56 62.438 -6.119 2.184 1.00 0.00 H new ATOM 0 HE3 TRP A 56 57.822 -8.772 2.728 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 61.125 -5.627 4.700 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 57.446 -7.818 4.985 1.00 0.00 H new ATOM 0 HH2 TRP A 56 59.091 -6.252 5.974 1.00 0.00 H new ATOM 822 N GLY A 57 59.707 -11.508 -1.789 1.00 0.00 N ATOM 823 CA GLY A 57 59.048 -12.431 -2.756 1.00 0.00 C ATOM 824 C GLY A 57 60.048 -12.841 -3.844 1.00 0.00 C ATOM 825 O GLY A 57 61.220 -12.535 -3.752 1.00 0.00 O ATOM 0 H GLY A 57 60.480 -10.963 -2.170 1.00 0.00 H new ATOM 0 HA2 GLY A 57 58.679 -13.315 -2.236 1.00 0.00 H new ATOM 0 HA3 GLY A 57 58.184 -11.943 -3.208 1.00 0.00 H new ATOM 829 N PRO A 58 59.549 -13.527 -4.846 1.00 0.00 N ATOM 830 CA PRO A 58 60.404 -13.991 -5.970 1.00 0.00 C ATOM 831 C PRO A 58 60.883 -12.823 -6.849 1.00 0.00 C ATOM 832 O PRO A 58 61.463 -13.035 -7.896 1.00 0.00 O ATOM 833 CB PRO A 58 59.449 -14.892 -6.762 1.00 0.00 C ATOM 834 CG PRO A 58 58.075 -14.893 -6.063 1.00 0.00 C ATOM 835 CD PRO A 58 58.114 -13.891 -4.903 1.00 0.00 C ATOM 0 HA PRO A 58 61.313 -14.487 -5.630 1.00 0.00 H new ATOM 0 HB2 PRO A 58 59.352 -14.531 -7.786 1.00 0.00 H new ATOM 0 HB3 PRO A 58 59.845 -15.906 -6.818 1.00 0.00 H new ATOM 0 HG2 PRO A 58 57.291 -14.622 -6.770 1.00 0.00 H new ATOM 0 HG3 PRO A 58 57.840 -15.891 -5.693 1.00 0.00 H new ATOM 0 HD2 PRO A 58 57.482 -13.024 -5.094 1.00 0.00 H new ATOM 0 HD3 PRO A 58 57.770 -14.337 -3.969 1.00 0.00 H new ATOM 843 N ILE A 59 60.648 -11.599 -6.453 1.00 0.00 N ATOM 844 CA ILE A 59 61.100 -10.448 -7.291 1.00 0.00 C ATOM 845 C ILE A 59 62.271 -9.722 -6.616 1.00 0.00 C ATOM 846 O ILE A 59 62.065 -8.794 -5.861 1.00 0.00 O ATOM 847 CB ILE A 59 59.892 -9.516 -7.389 1.00 0.00 C ATOM 848 CG1 ILE A 59 58.648 -10.315 -7.789 1.00 0.00 C ATOM 849 CG2 ILE A 59 60.166 -8.439 -8.439 1.00 0.00 C ATOM 850 CD1 ILE A 59 57.505 -9.349 -8.110 1.00 0.00 C ATOM 0 H ILE A 59 60.165 -11.347 -5.590 1.00 0.00 H new ATOM 0 HA ILE A 59 61.445 -10.775 -8.272 1.00 0.00 H new ATOM 0 HB ILE A 59 59.720 -9.048 -6.420 1.00 0.00 H new ATOM 0 HG12 ILE A 59 58.866 -10.939 -8.656 1.00 0.00 H new ATOM 0 HG13 ILE A 59 58.357 -10.985 -6.980 1.00 0.00 H new ATOM 0 HG21 ILE A 59 59.306 -7.773 -8.510 1.00 0.00 H new ATOM 0 HG22 ILE A 59 61.046 -7.865 -8.150 1.00 0.00 H new ATOM 0 HG23 ILE A 59 60.342 -8.910 -9.406 1.00 0.00 H new ATOM 0 HD11 ILE A 59 56.619 -9.916 -8.395 1.00 0.00 H new ATOM 0 HD12 ILE A 59 57.282 -8.744 -7.231 1.00 0.00 H new ATOM 0 HD13 ILE A 59 57.799 -8.698 -8.933 1.00 0.00 H new ATOM 862 N PRO A 60 63.469 -10.160 -6.915 1.00 0.00 N ATOM 863 CA PRO A 60 64.677 -9.532 -6.332 1.00 0.00 C ATOM 864 C PRO A 60 64.757 -8.055 -6.711 1.00 0.00 C ATOM 865 O PRO A 60 64.383 -7.663 -7.799 1.00 0.00 O ATOM 866 CB PRO A 60 65.815 -10.309 -6.999 1.00 0.00 C ATOM 867 CG PRO A 60 65.211 -11.363 -7.945 1.00 0.00 C ATOM 868 CD PRO A 60 63.682 -11.296 -7.843 1.00 0.00 C ATOM 0 HA PRO A 60 64.697 -9.568 -5.243 1.00 0.00 H new ATOM 0 HB2 PRO A 60 66.461 -9.629 -7.555 1.00 0.00 H new ATOM 0 HB3 PRO A 60 66.435 -10.792 -6.244 1.00 0.00 H new ATOM 0 HG2 PRO A 60 65.530 -11.177 -8.971 1.00 0.00 H new ATOM 0 HG3 PRO A 60 65.564 -12.359 -7.677 1.00 0.00 H new ATOM 0 HD2 PRO A 60 63.218 -11.119 -8.813 1.00 0.00 H new ATOM 0 HD3 PRO A 60 63.261 -12.223 -7.453 1.00 0.00 H new ATOM 876 N MET A 61 65.258 -7.234 -5.833 1.00 0.00 N ATOM 877 CA MET A 61 65.378 -5.791 -6.158 1.00 0.00 C ATOM 878 C MET A 61 66.604 -5.570 -7.043 1.00 0.00 C ATOM 879 O MET A 61 67.671 -6.057 -6.725 1.00 0.00 O ATOM 880 CB MET A 61 65.583 -5.100 -4.815 1.00 0.00 C ATOM 881 CG MET A 61 65.818 -3.605 -5.039 1.00 0.00 C ATOM 882 SD MET A 61 67.450 -3.139 -4.415 1.00 0.00 S ATOM 883 CE MET A 61 67.002 -3.071 -2.662 1.00 0.00 C ATOM 0 H MET A 61 65.589 -7.501 -4.906 1.00 0.00 H new ATOM 0 HA MET A 61 64.506 -5.409 -6.689 1.00 0.00 H new ATOM 0 HB2 MET A 61 64.710 -5.250 -4.180 1.00 0.00 H new ATOM 0 HB3 MET A 61 66.435 -5.539 -4.295 1.00 0.00 H new ATOM 0 HG2 MET A 61 65.745 -3.372 -6.101 1.00 0.00 H new ATOM 0 HG3 MET A 61 65.046 -3.026 -4.532 1.00 0.00 H new ATOM 0 HE1 MET A 61 67.182 -2.067 -2.279 1.00 0.00 H new ATOM 0 HE2 MET A 61 65.947 -3.320 -2.546 1.00 0.00 H new ATOM 0 HE3 MET A 61 67.607 -3.786 -2.104 1.00 0.00 H new ATOM 893 N PRO A 62 66.430 -4.837 -8.117 1.00 0.00 N ATOM 894 CA PRO A 62 67.564 -4.553 -9.021 1.00 0.00 C ATOM 895 C PRO A 62 68.588 -3.687 -8.279 1.00 0.00 C ATOM 896 O PRO A 62 68.216 -2.737 -7.619 1.00 0.00 O ATOM 897 CB PRO A 62 66.901 -3.771 -10.160 1.00 0.00 C ATOM 898 CG PRO A 62 65.397 -3.632 -9.854 1.00 0.00 C ATOM 899 CD PRO A 62 65.113 -4.266 -8.485 1.00 0.00 C ATOM 0 HA PRO A 62 68.096 -5.436 -9.374 1.00 0.00 H new ATOM 0 HB2 PRO A 62 67.359 -2.787 -10.259 1.00 0.00 H new ATOM 0 HB3 PRO A 62 67.047 -4.288 -11.108 1.00 0.00 H new ATOM 0 HG2 PRO A 62 65.107 -2.581 -9.851 1.00 0.00 H new ATOM 0 HG3 PRO A 62 64.807 -4.123 -10.628 1.00 0.00 H new ATOM 0 HD2 PRO A 62 64.773 -3.528 -7.758 1.00 0.00 H new ATOM 0 HD3 PRO A 62 64.341 -5.033 -8.545 1.00 0.00 H new ATOM 907 N PRO A 63 69.844 -4.035 -8.389 1.00 0.00 N ATOM 908 CA PRO A 63 70.894 -3.261 -7.695 1.00 0.00 C ATOM 909 C PRO A 63 70.860 -1.799 -8.148 1.00 0.00 C ATOM 910 O PRO A 63 70.743 -1.504 -9.322 1.00 0.00 O ATOM 911 CB PRO A 63 72.179 -3.958 -8.143 1.00 0.00 C ATOM 912 CG PRO A 63 71.809 -5.117 -9.089 1.00 0.00 C ATOM 913 CD PRO A 63 70.280 -5.192 -9.204 1.00 0.00 C ATOM 0 HA PRO A 63 70.784 -3.236 -6.611 1.00 0.00 H new ATOM 0 HB2 PRO A 63 72.835 -3.251 -8.651 1.00 0.00 H new ATOM 0 HB3 PRO A 63 72.725 -4.336 -7.279 1.00 0.00 H new ATOM 0 HG2 PRO A 63 72.254 -4.959 -10.071 1.00 0.00 H new ATOM 0 HG3 PRO A 63 72.205 -6.058 -8.707 1.00 0.00 H new ATOM 0 HD2 PRO A 63 69.946 -5.110 -10.238 1.00 0.00 H new ATOM 0 HD3 PRO A 63 69.889 -6.133 -8.816 1.00 0.00 H new ATOM 921 N ASN A 64 70.950 -0.883 -7.225 1.00 0.00 N ATOM 922 CA ASN A 64 70.911 0.558 -7.599 1.00 0.00 C ATOM 923 C ASN A 64 72.304 1.182 -7.473 1.00 0.00 C ATOM 924 O ASN A 64 73.177 0.646 -6.820 1.00 0.00 O ATOM 925 CB ASN A 64 69.941 1.192 -6.600 1.00 0.00 C ATOM 926 CG ASN A 64 68.602 0.452 -6.647 1.00 0.00 C ATOM 927 OD1 ASN A 64 68.503 -0.731 -6.101 1.00 0.00 O flip ATOM 928 ND2 ASN A 64 67.635 0.953 -7.185 1.00 0.00 N flip ATOM 0 H ASN A 64 71.049 -1.070 -6.227 1.00 0.00 H new ATOM 0 HA ASN A 64 70.595 0.711 -8.631 1.00 0.00 H new ATOM 0 HB2 ASN A 64 70.358 1.147 -5.594 1.00 0.00 H new ATOM 0 HB3 ASN A 64 69.795 2.246 -6.838 1.00 0.00 H new ATOM 0 HD21 ASN A 64 67.710 1.876 -7.612 1.00 0.00 H new ATOM 0 HD22 ASN A 64 66.748 0.450 -7.210 1.00 0.00 H new ATOM 935 N ALA A 65 72.517 2.311 -8.095 1.00 0.00 N ATOM 936 CA ALA A 65 73.851 2.973 -8.014 1.00 0.00 C ATOM 937 C ALA A 65 73.918 3.871 -6.776 1.00 0.00 C ATOM 938 O ALA A 65 74.395 4.987 -6.829 1.00 0.00 O ATOM 939 CB ALA A 65 73.954 3.811 -9.289 1.00 0.00 C ATOM 0 H ALA A 65 71.823 2.804 -8.657 1.00 0.00 H new ATOM 0 HA ALA A 65 74.666 2.254 -7.931 1.00 0.00 H new ATOM 0 HB1 ALA A 65 74.911 4.332 -9.306 1.00 0.00 H new ATOM 0 HB2 ALA A 65 73.880 3.159 -10.160 1.00 0.00 H new ATOM 0 HB3 ALA A 65 73.144 4.540 -9.312 1.00 0.00 H new ATOM 945 N VAL A 66 73.438 3.392 -5.662 1.00 0.00 N ATOM 946 CA VAL A 66 73.468 4.217 -4.420 1.00 0.00 C ATOM 947 C VAL A 66 74.687 3.857 -3.568 1.00 0.00 C ATOM 948 O VAL A 66 74.795 2.761 -3.054 1.00 0.00 O ATOM 949 CB VAL A 66 72.177 3.867 -3.677 1.00 0.00 C ATOM 950 CG1 VAL A 66 70.975 4.416 -4.449 1.00 0.00 C ATOM 951 CG2 VAL A 66 72.056 2.345 -3.556 1.00 0.00 C ATOM 0 H VAL A 66 73.026 2.465 -5.557 1.00 0.00 H new ATOM 0 HA VAL A 66 73.538 5.282 -4.639 1.00 0.00 H new ATOM 0 HB VAL A 66 72.200 4.311 -2.682 1.00 0.00 H new ATOM 0 HG11 VAL A 66 70.056 4.166 -3.918 1.00 0.00 H new ATOM 0 HG12 VAL A 66 71.061 5.499 -4.534 1.00 0.00 H new ATOM 0 HG13 VAL A 66 70.950 3.975 -5.445 1.00 0.00 H new ATOM 0 HG21 VAL A 66 71.137 2.094 -3.027 1.00 0.00 H new ATOM 0 HG22 VAL A 66 72.034 1.901 -4.551 1.00 0.00 H new ATOM 0 HG23 VAL A 66 72.911 1.955 -3.003 1.00 0.00 H new ATOM 961 N SER A 67 75.599 4.776 -3.402 1.00 0.00 N ATOM 962 CA SER A 67 76.802 4.488 -2.571 1.00 0.00 C ATOM 963 C SER A 67 76.363 3.978 -1.198 1.00 0.00 C ATOM 964 O SER A 67 75.201 3.712 -0.969 1.00 0.00 O ATOM 965 CB SER A 67 77.517 5.833 -2.437 1.00 0.00 C ATOM 966 OG SER A 67 76.586 6.813 -1.996 1.00 0.00 O ATOM 0 H SER A 67 75.563 5.712 -3.805 1.00 0.00 H new ATOM 0 HA SER A 67 77.447 3.727 -3.011 1.00 0.00 H new ATOM 0 HB2 SER A 67 78.341 5.752 -1.728 1.00 0.00 H new ATOM 0 HB3 SER A 67 77.947 6.127 -3.394 1.00 0.00 H new ATOM 0 HG SER A 67 77.027 7.425 -1.370 1.00 0.00 H new ATOM 972 N ASP A 68 77.275 3.845 -0.279 1.00 0.00 N ATOM 973 CA ASP A 68 76.888 3.359 1.074 1.00 0.00 C ATOM 974 C ASP A 68 76.220 4.489 1.858 1.00 0.00 C ATOM 975 O ASP A 68 75.219 4.293 2.516 1.00 0.00 O ATOM 976 CB ASP A 68 78.198 2.935 1.742 1.00 0.00 C ATOM 977 CG ASP A 68 79.218 4.071 1.635 1.00 0.00 C ATOM 978 OD1 ASP A 68 79.203 4.937 2.495 1.00 0.00 O ATOM 979 OD2 ASP A 68 79.997 4.055 0.696 1.00 0.00 O ATOM 0 H ASP A 68 78.266 4.050 -0.404 1.00 0.00 H new ATOM 0 HA ASP A 68 76.177 2.534 1.032 1.00 0.00 H new ATOM 0 HB2 ASP A 68 78.021 2.688 2.789 1.00 0.00 H new ATOM 0 HB3 ASP A 68 78.588 2.036 1.264 1.00 0.00 H new ATOM 984 N ASP A 69 76.759 5.675 1.782 1.00 0.00 N ATOM 985 CA ASP A 69 76.140 6.813 2.514 1.00 0.00 C ATOM 986 C ASP A 69 74.750 7.086 1.941 1.00 0.00 C ATOM 987 O ASP A 69 73.822 7.414 2.655 1.00 0.00 O ATOM 988 CB ASP A 69 77.071 8.000 2.267 1.00 0.00 C ATOM 989 CG ASP A 69 76.924 8.469 0.818 1.00 0.00 C ATOM 990 OD1 ASP A 69 75.919 9.090 0.514 1.00 0.00 O ATOM 991 OD2 ASP A 69 77.821 8.199 0.036 1.00 0.00 O ATOM 0 H ASP A 69 77.597 5.903 1.247 1.00 0.00 H new ATOM 0 HA ASP A 69 76.020 6.616 3.579 1.00 0.00 H new ATOM 0 HB2 ASP A 69 76.829 8.814 2.950 1.00 0.00 H new ATOM 0 HB3 ASP A 69 78.104 7.713 2.465 1.00 0.00 H new ATOM 996 N GLU A 70 74.599 6.941 0.654 1.00 0.00 N ATOM 997 CA GLU A 70 73.270 7.177 0.029 1.00 0.00 C ATOM 998 C GLU A 70 72.296 6.081 0.454 1.00 0.00 C ATOM 999 O GLU A 70 71.214 6.352 0.933 1.00 0.00 O ATOM 1000 CB GLU A 70 73.522 7.124 -1.479 1.00 0.00 C ATOM 1001 CG GLU A 70 73.957 8.505 -1.971 1.00 0.00 C ATOM 1002 CD GLU A 70 74.017 8.508 -3.500 1.00 0.00 C ATOM 1003 OE1 GLU A 70 73.649 7.504 -4.089 1.00 0.00 O ATOM 1004 OE2 GLU A 70 74.429 9.512 -4.055 1.00 0.00 O ATOM 0 H GLU A 70 75.340 6.669 0.008 1.00 0.00 H new ATOM 0 HA GLU A 70 72.831 8.129 0.329 1.00 0.00 H new ATOM 0 HB2 GLU A 70 74.292 6.386 -1.704 1.00 0.00 H new ATOM 0 HB3 GLU A 70 72.617 6.809 -1.999 1.00 0.00 H new ATOM 0 HG2 GLU A 70 73.256 9.264 -1.623 1.00 0.00 H new ATOM 0 HG3 GLU A 70 74.933 8.759 -1.558 1.00 0.00 H new ATOM 1011 N ALA A 71 72.677 4.844 0.301 1.00 0.00 N ATOM 1012 CA ALA A 71 71.773 3.732 0.715 1.00 0.00 C ATOM 1013 C ALA A 71 71.550 3.801 2.224 1.00 0.00 C ATOM 1014 O ALA A 71 70.607 3.242 2.750 1.00 0.00 O ATOM 1015 CB ALA A 71 72.513 2.448 0.333 1.00 0.00 C ATOM 0 H ALA A 71 73.573 4.554 -0.092 1.00 0.00 H new ATOM 0 HA ALA A 71 70.795 3.782 0.237 1.00 0.00 H new ATOM 0 HB1 ALA A 71 71.908 1.584 0.608 1.00 0.00 H new ATOM 0 HB2 ALA A 71 72.693 2.438 -0.742 1.00 0.00 H new ATOM 0 HB3 ALA A 71 73.466 2.406 0.861 1.00 0.00 H new ATOM 1021 N GLN A 72 72.400 4.502 2.924 1.00 0.00 N ATOM 1022 CA GLN A 72 72.223 4.627 4.395 1.00 0.00 C ATOM 1023 C GLN A 72 71.025 5.530 4.663 1.00 0.00 C ATOM 1024 O GLN A 72 70.142 5.203 5.432 1.00 0.00 O ATOM 1025 CB GLN A 72 73.516 5.261 4.906 1.00 0.00 C ATOM 1026 CG GLN A 72 74.333 4.208 5.656 1.00 0.00 C ATOM 1027 CD GLN A 72 74.193 4.431 7.163 1.00 0.00 C ATOM 1028 OE1 GLN A 72 73.063 4.869 7.644 1.00 0.00 O flip ATOM 1029 NE2 GLN A 72 75.123 4.203 7.911 1.00 0.00 N flip ATOM 0 H GLN A 72 73.208 4.992 2.540 1.00 0.00 H new ATOM 0 HA GLN A 72 72.038 3.673 4.890 1.00 0.00 H new ATOM 0 HB2 GLN A 72 74.093 5.660 4.072 1.00 0.00 H new ATOM 0 HB3 GLN A 72 73.288 6.099 5.565 1.00 0.00 H new ATOM 0 HG2 GLN A 72 73.987 3.208 5.392 1.00 0.00 H new ATOM 0 HG3 GLN A 72 75.381 4.270 5.364 1.00 0.00 H new ATOM 0 HE21 GLN A 72 76.007 3.860 7.536 1.00 0.00 H new ATOM 0 HE22 GLN A 72 75.019 4.354 8.914 1.00 0.00 H new ATOM 1038 N THR A 73 70.974 6.653 4.006 1.00 0.00 N ATOM 1039 CA THR A 73 69.815 7.563 4.191 1.00 0.00 C ATOM 1040 C THR A 73 68.576 6.899 3.592 1.00 0.00 C ATOM 1041 O THR A 73 67.457 7.178 3.973 1.00 0.00 O ATOM 1042 CB THR A 73 70.174 8.838 3.424 1.00 0.00 C ATOM 1043 OG1 THR A 73 71.529 9.178 3.684 1.00 0.00 O ATOM 1044 CG2 THR A 73 69.263 9.980 3.873 1.00 0.00 C ATOM 0 H THR A 73 71.684 6.979 3.350 1.00 0.00 H new ATOM 0 HA THR A 73 69.605 7.783 5.238 1.00 0.00 H new ATOM 0 HB THR A 73 70.040 8.670 2.355 1.00 0.00 H new ATOM 0 HG1 THR A 73 71.762 9.993 3.193 1.00 0.00 H new ATOM 0 HG21 THR A 73 69.520 10.887 3.326 1.00 0.00 H new ATOM 0 HG22 THR A 73 68.224 9.717 3.672 1.00 0.00 H new ATOM 0 HG23 THR A 73 69.394 10.151 4.941 1.00 0.00 H new ATOM 1052 N LEU A 74 68.780 6.003 2.659 1.00 0.00 N ATOM 1053 CA LEU A 74 67.629 5.296 2.036 1.00 0.00 C ATOM 1054 C LEU A 74 67.072 4.270 3.021 1.00 0.00 C ATOM 1055 O LEU A 74 65.882 4.031 3.081 1.00 0.00 O ATOM 1056 CB LEU A 74 68.207 4.601 0.799 1.00 0.00 C ATOM 1057 CG LEU A 74 68.641 5.657 -0.220 1.00 0.00 C ATOM 1058 CD1 LEU A 74 69.458 4.992 -1.330 1.00 0.00 C ATOM 1059 CD2 LEU A 74 67.401 6.316 -0.827 1.00 0.00 C ATOM 0 H LEU A 74 69.697 5.733 2.304 1.00 0.00 H new ATOM 0 HA LEU A 74 66.814 5.970 1.770 1.00 0.00 H new ATOM 0 HB2 LEU A 74 69.058 3.980 1.081 1.00 0.00 H new ATOM 0 HB3 LEU A 74 67.462 3.939 0.358 1.00 0.00 H new ATOM 0 HG LEU A 74 69.251 6.412 0.276 1.00 0.00 H new ATOM 0 HD11 LEU A 74 69.767 5.745 -2.055 1.00 0.00 H new ATOM 0 HD12 LEU A 74 70.341 4.520 -0.899 1.00 0.00 H new ATOM 0 HD13 LEU A 74 68.849 4.237 -1.827 1.00 0.00 H new ATOM 0 HD21 LEU A 74 67.708 7.069 -1.553 1.00 0.00 H new ATOM 0 HD22 LEU A 74 66.793 5.560 -1.323 1.00 0.00 H new ATOM 0 HD23 LEU A 74 66.818 6.790 -0.038 1.00 0.00 H new ATOM 1071 N ALA A 75 67.927 3.670 3.807 1.00 0.00 N ATOM 1072 CA ALA A 75 67.448 2.672 4.803 1.00 0.00 C ATOM 1073 C ALA A 75 66.721 3.399 5.933 1.00 0.00 C ATOM 1074 O ALA A 75 65.680 2.975 6.393 1.00 0.00 O ATOM 1075 CB ALA A 75 68.712 1.984 5.319 1.00 0.00 C ATOM 0 H ALA A 75 68.935 3.829 3.801 1.00 0.00 H new ATOM 0 HA ALA A 75 66.750 1.950 4.379 1.00 0.00 H new ATOM 0 HB1 ALA A 75 68.440 1.232 6.060 1.00 0.00 H new ATOM 0 HB2 ALA A 75 69.230 1.505 4.488 1.00 0.00 H new ATOM 0 HB3 ALA A 75 69.368 2.724 5.777 1.00 0.00 H new ATOM 1081 N LYS A 76 67.256 4.508 6.367 1.00 0.00 N ATOM 1082 CA LYS A 76 66.590 5.283 7.450 1.00 0.00 C ATOM 1083 C LYS A 76 65.317 5.922 6.896 1.00 0.00 C ATOM 1084 O LYS A 76 64.370 6.180 7.613 1.00 0.00 O ATOM 1085 CB LYS A 76 67.599 6.360 7.847 1.00 0.00 C ATOM 1086 CG LYS A 76 68.396 5.897 9.068 1.00 0.00 C ATOM 1087 CD LYS A 76 68.941 7.118 9.810 1.00 0.00 C ATOM 1088 CE LYS A 76 70.425 6.909 10.120 1.00 0.00 C ATOM 1089 NZ LYS A 76 71.081 8.194 9.748 1.00 0.00 N ATOM 0 H LYS A 76 68.126 4.910 6.018 1.00 0.00 H new ATOM 0 HA LYS A 76 66.308 4.665 8.302 1.00 0.00 H new ATOM 0 HB2 LYS A 76 68.274 6.563 7.016 1.00 0.00 H new ATOM 0 HB3 LYS A 76 67.081 7.292 8.071 1.00 0.00 H new ATOM 0 HG2 LYS A 76 67.760 5.309 9.730 1.00 0.00 H new ATOM 0 HG3 LYS A 76 69.216 5.250 8.757 1.00 0.00 H new ATOM 0 HD2 LYS A 76 68.808 8.014 9.204 1.00 0.00 H new ATOM 0 HD3 LYS A 76 68.384 7.273 10.734 1.00 0.00 H new ATOM 0 HE2 LYS A 76 70.579 6.678 11.174 1.00 0.00 H new ATOM 0 HE3 LYS A 76 70.834 6.077 9.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 72.102 8.128 9.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 70.923 8.385 8.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 70.676 8.967 10.314 1.00 0.00 H new ATOM 1103 N TRP A 77 65.294 6.172 5.617 1.00 0.00 N ATOM 1104 CA TRP A 77 64.094 6.790 4.990 1.00 0.00 C ATOM 1105 C TRP A 77 62.951 5.772 4.936 1.00 0.00 C ATOM 1106 O TRP A 77 61.810 6.090 5.213 1.00 0.00 O ATOM 1107 CB TRP A 77 64.551 7.172 3.582 1.00 0.00 C ATOM 1108 CG TRP A 77 63.403 7.747 2.821 1.00 0.00 C ATOM 1109 CD1 TRP A 77 62.737 8.877 3.151 1.00 0.00 C ATOM 1110 CD2 TRP A 77 62.777 7.243 1.609 1.00 0.00 C ATOM 1111 NE1 TRP A 77 61.740 9.098 2.217 1.00 0.00 N ATOM 1112 CE2 TRP A 77 61.726 8.117 1.246 1.00 0.00 C ATOM 1113 CE3 TRP A 77 63.017 6.120 0.797 1.00 0.00 C ATOM 1114 CZ2 TRP A 77 60.940 7.886 0.117 1.00 0.00 C ATOM 1115 CZ3 TRP A 77 62.227 5.885 -0.340 1.00 0.00 C ATOM 1116 CH2 TRP A 77 61.192 6.767 -0.679 1.00 0.00 C ATOM 0 H TRP A 77 66.061 5.973 4.975 1.00 0.00 H new ATOM 0 HA TRP A 77 63.722 7.651 5.545 1.00 0.00 H new ATOM 0 HB2 TRP A 77 65.363 7.897 3.637 1.00 0.00 H new ATOM 0 HB3 TRP A 77 64.940 6.295 3.065 1.00 0.00 H new ATOM 0 HD1 TRP A 77 62.949 9.504 4.004 1.00 0.00 H new ATOM 0 HE1 TRP A 77 61.095 9.888 2.243 1.00 0.00 H new ATOM 0 HE3 TRP A 77 63.813 5.435 1.049 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 60.142 8.568 -0.139 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 62.418 5.019 -0.957 1.00 0.00 H new ATOM 0 HH2 TRP A 77 60.589 6.581 -1.556 1.00 0.00 H new ATOM 1127 N ILE A 78 63.249 4.550 4.587 1.00 0.00 N ATOM 1128 CA ILE A 78 62.181 3.508 4.522 1.00 0.00 C ATOM 1129 C ILE A 78 61.616 3.241 5.919 1.00 0.00 C ATOM 1130 O ILE A 78 60.417 3.212 6.120 1.00 0.00 O ATOM 1131 CB ILE A 78 62.886 2.257 3.990 1.00 0.00 C ATOM 1132 CG1 ILE A 78 63.411 2.510 2.574 1.00 0.00 C ATOM 1133 CG2 ILE A 78 61.903 1.086 3.966 1.00 0.00 C ATOM 1134 CD1 ILE A 78 64.734 1.768 2.383 1.00 0.00 C ATOM 0 H ILE A 78 64.185 4.227 4.344 1.00 0.00 H new ATOM 0 HA ILE A 78 61.346 3.812 3.891 1.00 0.00 H new ATOM 0 HB ILE A 78 63.725 2.018 4.644 1.00 0.00 H new ATOM 0 HG12 ILE A 78 62.682 2.171 1.838 1.00 0.00 H new ATOM 0 HG13 ILE A 78 63.554 3.578 2.413 1.00 0.00 H new ATOM 0 HG21 ILE A 78 62.406 0.196 3.587 1.00 0.00 H new ATOM 0 HG22 ILE A 78 61.540 0.895 4.976 1.00 0.00 H new ATOM 0 HG23 ILE A 78 61.061 1.331 3.318 1.00 0.00 H new ATOM 0 HD11 ILE A 78 65.109 1.947 1.375 1.00 0.00 H new ATOM 0 HD12 ILE A 78 65.461 2.128 3.110 1.00 0.00 H new ATOM 0 HD13 ILE A 78 64.576 0.699 2.527 1.00 0.00 H new ATOM 1146 N LEU A 79 62.470 3.038 6.883 1.00 0.00 N ATOM 1147 CA LEU A 79 61.986 2.763 8.266 1.00 0.00 C ATOM 1148 C LEU A 79 61.412 4.034 8.898 1.00 0.00 C ATOM 1149 O LEU A 79 60.711 3.982 9.889 1.00 0.00 O ATOM 1150 CB LEU A 79 63.227 2.299 9.029 1.00 0.00 C ATOM 1151 CG LEU A 79 63.475 0.816 8.751 1.00 0.00 C ATOM 1152 CD1 LEU A 79 64.807 0.648 8.016 1.00 0.00 C ATOM 1153 CD2 LEU A 79 63.526 0.051 10.076 1.00 0.00 C ATOM 0 H LEU A 79 63.484 3.051 6.773 1.00 0.00 H new ATOM 0 HA LEU A 79 61.189 2.019 8.283 1.00 0.00 H new ATOM 0 HB2 LEU A 79 64.094 2.886 8.725 1.00 0.00 H new ATOM 0 HB3 LEU A 79 63.091 2.461 10.098 1.00 0.00 H new ATOM 0 HG LEU A 79 62.667 0.423 8.133 1.00 0.00 H new ATOM 0 HD11 LEU A 79 64.983 -0.409 7.818 1.00 0.00 H new ATOM 0 HD12 LEU A 79 64.773 1.193 7.072 1.00 0.00 H new ATOM 0 HD13 LEU A 79 65.615 1.041 8.633 1.00 0.00 H new ATOM 0 HD21 LEU A 79 63.703 -1.006 9.879 1.00 0.00 H new ATOM 0 HD22 LEU A 79 64.334 0.445 10.693 1.00 0.00 H new ATOM 0 HD23 LEU A 79 62.578 0.169 10.601 1.00 0.00 H new ATOM 1165 N SER A 80 61.702 5.175 8.336 1.00 0.00 N ATOM 1166 CA SER A 80 61.171 6.443 8.914 1.00 0.00 C ATOM 1167 C SER A 80 60.259 7.152 7.909 1.00 0.00 C ATOM 1168 O SER A 80 59.883 8.289 8.107 1.00 0.00 O ATOM 1169 CB SER A 80 62.405 7.294 9.206 1.00 0.00 C ATOM 1170 OG SER A 80 62.179 8.062 10.382 1.00 0.00 O ATOM 0 H SER A 80 62.282 5.285 7.504 1.00 0.00 H new ATOM 0 HA SER A 80 60.575 6.265 9.809 1.00 0.00 H new ATOM 0 HB2 SER A 80 63.279 6.655 9.337 1.00 0.00 H new ATOM 0 HB3 SER A 80 62.615 7.952 8.363 1.00 0.00 H new ATOM 0 HG SER A 80 62.970 8.608 10.573 1.00 0.00 H new