USER MOD reduce.3.24.130724 H: found=0, std=0, add=336, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 336 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 22 SER OG : rot 180:sc= -0.114 USER MOD Set 1.2: A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 1 TYR N :NH3+ -162:sc= 1.16 (180deg=0.764) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0744) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0.094) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0568) USER MOD Single : A 10 HIS : no HE2:sc= -0.079 K(o=-0.079,f=-0.84) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0399) USER MOD Single : A 28 MET CE :methyl -161:sc= -0.737 (180deg=-1.33) USER MOD Single : A 35 LYS NZ :NH3+ 162:sc= -1.4 (180deg=-2.24!) USER MOD Single : A 38 LYS NZ :NH3+ 157:sc= 1.21 (180deg=1.17) USER MOD Single : A 39 LYS NZ :NH3+ -171:sc= 0.824 (180deg=0.493) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 29.902 -47.081 10.241 1.00 0.00 N ATOM 2 CA TYR A 1 29.761 -45.979 9.271 1.00 0.00 C ATOM 3 C TYR A 1 30.618 -44.769 9.665 1.00 0.00 C ATOM 4 O TYR A 1 31.234 -44.137 8.808 1.00 0.00 O ATOM 5 CB TYR A 1 28.282 -45.600 9.139 1.00 0.00 C ATOM 6 CG TYR A 1 28.080 -44.615 8.004 1.00 0.00 C ATOM 7 CD1 TYR A 1 28.008 -45.050 6.728 1.00 0.00 C ATOM 8 CD2 TYR A 1 28.012 -43.290 8.268 1.00 0.00 C ATOM 9 CE1 TYR A 1 27.884 -44.164 5.715 1.00 0.00 C ATOM 10 CE2 TYR A 1 27.891 -42.405 7.256 1.00 0.00 C ATOM 11 CZ TYR A 1 27.831 -42.841 5.981 1.00 0.00 C ATOM 12 OH TYR A 1 27.733 -41.938 4.955 1.00 0.00 O ATOM 0 H1 TYR A 1 29.572 -47.968 9.809 1.00 0.00 H new ATOM 0 H2 TYR A 1 30.901 -47.179 10.512 1.00 0.00 H new ATOM 0 H3 TYR A 1 29.333 -46.874 11.086 1.00 0.00 H new ATOM 0 HA TYR A 1 30.125 -46.317 8.301 1.00 0.00 H new ATOM 0 HB2 TYR A 1 27.687 -46.495 8.960 1.00 0.00 H new ATOM 0 HB3 TYR A 1 27.929 -45.163 10.073 1.00 0.00 H new ATOM 0 HD1 TYR A 1 28.050 -46.108 6.516 1.00 0.00 H new ATOM 0 HD2 TYR A 1 28.055 -42.940 9.289 1.00 0.00 H new ATOM 0 HE1 TYR A 1 27.827 -44.513 4.695 1.00 0.00 H new ATOM 0 HE2 TYR A 1 27.842 -41.347 7.467 1.00 0.00 H new ATOM 0 HH TYR A 1 27.705 -41.029 5.321 1.00 0.00 H new ATOM 24 N LYS A 2 30.663 -44.420 10.946 1.00 0.00 N ATOM 25 CA LYS A 2 31.453 -43.251 11.352 1.00 0.00 C ATOM 26 C LYS A 2 32.899 -43.654 11.654 1.00 0.00 C ATOM 27 O LYS A 2 33.818 -43.323 10.905 1.00 0.00 O ATOM 28 CB LYS A 2 30.800 -42.586 12.572 1.00 0.00 C ATOM 29 CG LYS A 2 29.440 -41.955 12.257 1.00 0.00 C ATOM 30 CD LYS A 2 29.572 -40.752 11.318 1.00 0.00 C ATOM 31 CE LYS A 2 28.205 -40.176 10.947 1.00 0.00 C ATOM 32 NZ LYS A 2 27.559 -39.564 12.121 1.00 0.00 N ATOM 0 H LYS A 2 30.182 -44.907 11.702 1.00 0.00 H new ATOM 0 HA LYS A 2 31.475 -42.533 10.532 1.00 0.00 H new ATOM 0 HB2 LYS A 2 30.675 -43.329 13.360 1.00 0.00 H new ATOM 0 HB3 LYS A 2 31.469 -41.818 12.961 1.00 0.00 H new ATOM 0 HG2 LYS A 2 28.790 -42.702 11.801 1.00 0.00 H new ATOM 0 HG3 LYS A 2 28.962 -41.641 13.185 1.00 0.00 H new ATOM 0 HD2 LYS A 2 30.175 -39.980 11.797 1.00 0.00 H new ATOM 0 HD3 LYS A 2 30.099 -41.052 10.412 1.00 0.00 H new ATOM 0 HE2 LYS A 2 28.321 -39.431 10.160 1.00 0.00 H new ATOM 0 HE3 LYS A 2 27.569 -40.966 10.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 26.699 -39.062 11.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 27.307 -40.306 12.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 28.215 -38.891 12.567 1.00 0.00 H new ATOM 46 N GLN A 3 33.118 -44.352 12.760 1.00 0.00 N ATOM 47 CA GLN A 3 34.492 -44.695 13.147 1.00 0.00 C ATOM 48 C GLN A 3 35.046 -45.861 12.323 1.00 0.00 C ATOM 49 O GLN A 3 36.211 -45.864 11.925 1.00 0.00 O ATOM 50 CB GLN A 3 34.503 -45.018 14.644 1.00 0.00 C ATOM 51 CG GLN A 3 35.931 -45.187 15.165 1.00 0.00 C ATOM 52 CD GLN A 3 35.953 -45.396 16.672 1.00 0.00 C ATOM 53 OE1 GLN A 3 35.591 -46.453 17.188 1.00 0.00 O ATOM 54 NE2 GLN A 3 36.383 -44.385 17.402 1.00 0.00 N ATOM 0 H GLN A 3 32.391 -44.686 13.393 1.00 0.00 H new ATOM 0 HA GLN A 3 35.144 -43.845 12.945 1.00 0.00 H new ATOM 0 HB2 GLN A 3 34.005 -44.220 15.194 1.00 0.00 H new ATOM 0 HB3 GLN A 3 33.937 -45.932 14.825 1.00 0.00 H new ATOM 0 HG2 GLN A 3 36.401 -46.038 14.672 1.00 0.00 H new ATOM 0 HG3 GLN A 3 36.519 -44.305 14.910 1.00 0.00 H new ATOM 0 HE21 GLN A 3 36.678 -43.519 16.951 1.00 0.00 H new ATOM 0 HE22 GLN A 3 36.421 -44.469 18.418 1.00 0.00 H new ATOM 63 N CYS A 4 34.220 -46.867 12.078 1.00 0.00 N ATOM 64 CA CYS A 4 34.711 -48.070 11.397 1.00 0.00 C ATOM 65 C CYS A 4 34.973 -47.850 9.905 1.00 0.00 C ATOM 66 O CYS A 4 35.803 -48.532 9.306 1.00 0.00 O ATOM 67 CB CYS A 4 33.698 -49.198 11.603 1.00 0.00 C ATOM 68 SG CYS A 4 34.460 -50.778 11.194 1.00 0.00 S ATOM 0 H CYS A 4 33.232 -46.883 12.330 1.00 0.00 H new ATOM 0 HA CYS A 4 35.673 -48.334 11.835 1.00 0.00 H new ATOM 0 HB2 CYS A 4 33.353 -49.206 12.637 1.00 0.00 H new ATOM 0 HB3 CYS A 4 32.822 -49.032 10.976 1.00 0.00 H new ATOM 73 N HIS A 5 34.253 -46.925 9.284 1.00 0.00 N ATOM 74 CA HIS A 5 34.374 -46.750 7.832 1.00 0.00 C ATOM 75 C HIS A 5 35.743 -46.212 7.390 1.00 0.00 C ATOM 76 O HIS A 5 36.193 -46.515 6.286 1.00 0.00 O ATOM 77 CB HIS A 5 33.232 -45.849 7.361 1.00 0.00 C ATOM 78 CG HIS A 5 33.081 -45.866 5.857 1.00 0.00 C ATOM 79 ND1 HIS A 5 33.256 -44.768 5.034 1.00 0.00 N ATOM 80 CD2 HIS A 5 32.722 -46.994 5.104 1.00 0.00 C ATOM 81 CE1 HIS A 5 32.990 -45.343 3.819 1.00 0.00 C ATOM 82 NE2 HIS A 5 32.663 -46.673 3.759 1.00 0.00 N ATOM 0 H HIS A 5 33.594 -46.296 9.743 1.00 0.00 H new ATOM 0 HA HIS A 5 34.300 -47.730 7.362 1.00 0.00 H new ATOM 0 HB2 HIS A 5 32.300 -46.174 7.823 1.00 0.00 H new ATOM 0 HB3 HIS A 5 33.414 -44.828 7.696 1.00 0.00 H new ATOM 0 HD2 HIS A 5 32.521 -47.972 5.515 1.00 0.00 H new ATOM 0 HE1 HIS A 5 33.038 -44.753 2.916 1.00 0.00 H new ATOM 0 HE2 HIS A 5 32.440 -47.258 2.954 1.00 0.00 H new ATOM 91 N LYS A 6 36.428 -45.438 8.230 1.00 0.00 N ATOM 92 CA LYS A 6 37.813 -45.058 7.902 1.00 0.00 C ATOM 93 C LYS A 6 38.672 -46.300 7.636 1.00 0.00 C ATOM 94 O LYS A 6 39.439 -46.346 6.675 1.00 0.00 O ATOM 95 CB LYS A 6 38.439 -44.242 9.041 1.00 0.00 C ATOM 96 CG LYS A 6 37.921 -42.801 9.095 1.00 0.00 C ATOM 97 CD LYS A 6 38.638 -42.020 10.200 1.00 0.00 C ATOM 98 CE LYS A 6 38.235 -40.544 10.201 1.00 0.00 C ATOM 99 NZ LYS A 6 38.896 -39.836 11.313 1.00 0.00 N ATOM 0 H LYS A 6 36.070 -45.070 9.112 1.00 0.00 H new ATOM 0 HA LYS A 6 37.781 -44.447 7.000 1.00 0.00 H new ATOM 0 HB2 LYS A 6 38.230 -44.734 9.991 1.00 0.00 H new ATOM 0 HB3 LYS A 6 39.522 -44.229 8.920 1.00 0.00 H new ATOM 0 HG2 LYS A 6 38.081 -42.314 8.133 1.00 0.00 H new ATOM 0 HG3 LYS A 6 36.846 -42.800 9.278 1.00 0.00 H new ATOM 0 HD2 LYS A 6 38.404 -42.462 11.169 1.00 0.00 H new ATOM 0 HD3 LYS A 6 39.716 -42.103 10.064 1.00 0.00 H new ATOM 0 HE2 LYS A 6 38.511 -40.084 9.252 1.00 0.00 H new ATOM 0 HE3 LYS A 6 37.153 -40.455 10.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 38.615 -38.835 11.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 38.612 -40.267 12.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 39.928 -39.907 11.205 1.00 0.00 H new ATOM 113 N LYS A 7 38.533 -47.325 8.468 1.00 0.00 N ATOM 114 CA LYS A 7 39.210 -48.593 8.185 1.00 0.00 C ATOM 115 C LYS A 7 38.483 -49.326 7.051 1.00 0.00 C ATOM 116 O LYS A 7 39.106 -49.779 6.092 1.00 0.00 O ATOM 117 CB LYS A 7 39.240 -49.469 9.444 1.00 0.00 C ATOM 118 CG LYS A 7 40.104 -48.914 10.584 1.00 0.00 C ATOM 119 CD LYS A 7 39.491 -47.686 11.264 1.00 0.00 C ATOM 120 CE LYS A 7 40.247 -47.298 12.537 1.00 0.00 C ATOM 121 NZ LYS A 7 41.644 -46.946 12.227 1.00 0.00 N ATOM 0 H LYS A 7 37.975 -47.311 9.322 1.00 0.00 H new ATOM 0 HA LYS A 7 40.236 -48.388 7.878 1.00 0.00 H new ATOM 0 HB2 LYS A 7 38.220 -49.597 9.807 1.00 0.00 H new ATOM 0 HB3 LYS A 7 39.609 -50.459 9.174 1.00 0.00 H new ATOM 0 HG2 LYS A 7 40.257 -49.695 11.329 1.00 0.00 H new ATOM 0 HG3 LYS A 7 41.086 -48.651 10.192 1.00 0.00 H new ATOM 0 HD2 LYS A 7 39.496 -46.846 10.569 1.00 0.00 H new ATOM 0 HD3 LYS A 7 38.449 -47.890 11.509 1.00 0.00 H new ATOM 0 HE2 LYS A 7 39.752 -46.454 13.017 1.00 0.00 H new ATOM 0 HE3 LYS A 7 40.224 -48.126 13.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 42.111 -46.589 13.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 42.147 -47.790 11.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 41.662 -46.210 11.492 1.00 0.00 H new ATOM 135 N GLY A 8 37.163 -49.448 7.151 1.00 0.00 N ATOM 136 CA GLY A 8 36.398 -50.104 6.085 1.00 0.00 C ATOM 137 C GLY A 8 35.750 -51.388 6.593 1.00 0.00 C ATOM 138 O GLY A 8 36.298 -52.477 6.432 1.00 0.00 O ATOM 0 H GLY A 8 36.607 -49.112 7.937 1.00 0.00 H new ATOM 0 HA2 GLY A 8 35.630 -49.426 5.713 1.00 0.00 H new ATOM 0 HA3 GLY A 8 37.056 -50.331 5.246 1.00 0.00 H new ATOM 142 N GLY A 9 34.581 -51.280 7.211 1.00 0.00 N ATOM 143 CA GLY A 9 33.960 -52.481 7.779 1.00 0.00 C ATOM 144 C GLY A 9 32.451 -52.333 7.958 1.00 0.00 C ATOM 145 O GLY A 9 31.897 -51.235 7.946 1.00 0.00 O ATOM 0 H GLY A 9 34.057 -50.413 7.332 1.00 0.00 H new ATOM 0 HA2 GLY A 9 34.163 -53.332 7.130 1.00 0.00 H new ATOM 0 HA3 GLY A 9 34.417 -52.700 8.744 1.00 0.00 H new ATOM 149 N HIS A 10 31.784 -53.465 8.144 1.00 0.00 N ATOM 150 CA HIS A 10 30.334 -53.440 8.380 1.00 0.00 C ATOM 151 C HIS A 10 30.030 -54.088 9.735 1.00 0.00 C ATOM 152 O HIS A 10 30.792 -54.912 10.243 1.00 0.00 O ATOM 153 CB HIS A 10 29.639 -54.186 7.235 1.00 0.00 C ATOM 154 CG HIS A 10 28.129 -54.156 7.363 1.00 0.00 C ATOM 155 ND1 HIS A 10 27.372 -55.182 7.901 1.00 0.00 N ATOM 156 CD2 HIS A 10 27.307 -53.071 7.016 1.00 0.00 C ATOM 157 CE1 HIS A 10 26.128 -54.610 7.851 1.00 0.00 C ATOM 158 NE2 HIS A 10 25.985 -53.353 7.324 1.00 0.00 N ATOM 0 H HIS A 10 32.205 -54.394 8.138 1.00 0.00 H new ATOM 0 HA HIS A 10 29.963 -52.415 8.406 1.00 0.00 H new ATOM 0 HB2 HIS A 10 29.930 -53.740 6.284 1.00 0.00 H new ATOM 0 HB3 HIS A 10 29.980 -55.221 7.219 1.00 0.00 H new ATOM 0 HD1 HIS A 10 27.658 -56.101 8.238 1.00 0.00 H new ATOM 0 HD2 HIS A 10 27.655 -52.150 6.573 1.00 0.00 H new ATOM 0 HE1 HIS A 10 25.267 -55.145 8.224 1.00 0.00 H new ATOM 167 N CYS A 11 28.907 -53.713 10.335 1.00 0.00 N ATOM 168 CA CYS A 11 28.570 -54.260 11.653 1.00 0.00 C ATOM 169 C CYS A 11 27.955 -55.657 11.542 1.00 0.00 C ATOM 170 O CYS A 11 27.112 -55.938 10.690 1.00 0.00 O ATOM 171 CB CYS A 11 27.572 -53.344 12.363 1.00 0.00 C ATOM 172 SG CYS A 11 28.328 -51.777 12.831 1.00 0.00 S ATOM 0 H CYS A 11 28.230 -53.054 9.950 1.00 0.00 H new ATOM 0 HA CYS A 11 29.497 -54.326 12.223 1.00 0.00 H new ATOM 0 HB2 CYS A 11 26.720 -53.157 11.709 1.00 0.00 H new ATOM 0 HB3 CYS A 11 27.188 -53.843 13.252 1.00 0.00 H new ATOM 177 N PHE A 12 28.362 -56.528 12.453 1.00 0.00 N ATOM 178 CA PHE A 12 27.732 -57.850 12.552 1.00 0.00 C ATOM 179 C PHE A 12 27.647 -58.214 14.040 1.00 0.00 C ATOM 180 O PHE A 12 28.405 -57.683 14.854 1.00 0.00 O ATOM 181 CB PHE A 12 28.579 -58.907 11.832 1.00 0.00 C ATOM 182 CG PHE A 12 28.733 -58.652 10.345 1.00 0.00 C ATOM 183 CD1 PHE A 12 27.760 -59.020 9.482 1.00 0.00 C ATOM 184 CD2 PHE A 12 29.868 -58.086 9.878 1.00 0.00 C ATOM 185 CE1 PHE A 12 27.924 -58.824 8.156 1.00 0.00 C ATOM 186 CE2 PHE A 12 30.032 -57.891 8.552 1.00 0.00 C ATOM 187 CZ PHE A 12 29.061 -58.262 7.690 1.00 0.00 C ATOM 0 H PHE A 12 29.110 -56.356 13.125 1.00 0.00 H new ATOM 0 HA PHE A 12 26.745 -57.823 12.090 1.00 0.00 H new ATOM 0 HB2 PHE A 12 29.567 -58.942 12.290 1.00 0.00 H new ATOM 0 HB3 PHE A 12 28.124 -59.887 11.979 1.00 0.00 H new ATOM 0 HD1 PHE A 12 26.851 -59.471 9.853 1.00 0.00 H new ATOM 0 HD2 PHE A 12 30.645 -57.789 10.567 1.00 0.00 H new ATOM 0 HE1 PHE A 12 27.145 -59.117 7.467 1.00 0.00 H new ATOM 0 HE2 PHE A 12 30.940 -57.438 8.181 1.00 0.00 H new ATOM 0 HZ PHE A 12 29.193 -58.110 6.629 1.00 0.00 H new ATOM 197 N PRO A 13 26.763 -59.125 14.446 1.00 0.00 N ATOM 198 CA PRO A 13 26.624 -59.479 15.862 1.00 0.00 C ATOM 199 C PRO A 13 27.882 -60.118 16.455 1.00 0.00 C ATOM 200 O PRO A 13 28.874 -60.375 15.771 1.00 0.00 O ATOM 201 CB PRO A 13 25.454 -60.462 15.832 1.00 0.00 C ATOM 202 CG PRO A 13 24.672 -60.106 14.569 1.00 0.00 C ATOM 203 CD PRO A 13 25.743 -59.690 13.565 1.00 0.00 C ATOM 0 HA PRO A 13 26.463 -58.608 16.498 1.00 0.00 H new ATOM 0 HB2 PRO A 13 25.805 -61.493 15.801 1.00 0.00 H new ATOM 0 HB3 PRO A 13 24.833 -60.363 16.722 1.00 0.00 H new ATOM 0 HG2 PRO A 13 24.095 -60.957 14.206 1.00 0.00 H new ATOM 0 HG3 PRO A 13 23.965 -59.297 14.754 1.00 0.00 H new ATOM 0 HD2 PRO A 13 26.119 -60.537 12.992 1.00 0.00 H new ATOM 0 HD3 PRO A 13 25.371 -58.959 12.847 1.00 0.00 H new ATOM 211 N LYS A 14 27.843 -60.374 17.755 1.00 0.00 N ATOM 212 CA LYS A 14 29.028 -60.909 18.433 1.00 0.00 C ATOM 213 C LYS A 14 28.974 -62.437 18.478 1.00 0.00 C ATOM 214 O LYS A 14 28.693 -63.043 19.513 1.00 0.00 O ATOM 215 CB LYS A 14 29.036 -60.310 19.839 1.00 0.00 C ATOM 216 CG LYS A 14 30.306 -60.649 20.620 1.00 0.00 C ATOM 217 CD LYS A 14 30.243 -60.059 22.031 1.00 0.00 C ATOM 218 CE LYS A 14 29.169 -60.740 22.883 1.00 0.00 C ATOM 219 NZ LYS A 14 29.155 -60.142 24.228 1.00 0.00 N ATOM 0 H LYS A 14 27.030 -60.227 18.353 1.00 0.00 H new ATOM 0 HA LYS A 14 29.942 -60.645 17.902 1.00 0.00 H new ATOM 0 HB2 LYS A 14 28.937 -59.227 19.768 1.00 0.00 H new ATOM 0 HB3 LYS A 14 28.168 -60.674 20.389 1.00 0.00 H new ATOM 0 HG2 LYS A 14 30.427 -61.731 20.677 1.00 0.00 H new ATOM 0 HG3 LYS A 14 31.178 -60.258 20.095 1.00 0.00 H new ATOM 0 HD2 LYS A 14 31.214 -60.168 22.514 1.00 0.00 H new ATOM 0 HD3 LYS A 14 30.035 -58.991 21.970 1.00 0.00 H new ATOM 0 HE2 LYS A 14 28.192 -60.627 22.413 1.00 0.00 H new ATOM 0 HE3 LYS A 14 29.368 -61.809 22.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 28.425 -60.605 24.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 30.085 -60.272 24.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 28.945 -59.126 24.154 1.00 0.00 H new ATOM 233 N GLU A 15 29.246 -63.066 17.344 1.00 0.00 N ATOM 234 CA GLU A 15 29.163 -64.532 17.279 1.00 0.00 C ATOM 235 C GLU A 15 29.759 -65.095 15.982 1.00 0.00 C ATOM 236 O GLU A 15 30.286 -66.207 15.964 1.00 0.00 O ATOM 237 CB GLU A 15 27.703 -64.975 17.448 1.00 0.00 C ATOM 238 CG GLU A 15 26.793 -64.522 16.303 1.00 0.00 C ATOM 239 CD GLU A 15 25.328 -64.788 16.610 1.00 0.00 C ATOM 240 OE1 GLU A 15 24.933 -65.971 16.690 1.00 0.00 O ATOM 241 OE2 GLU A 15 24.563 -63.812 16.765 1.00 0.00 O ATOM 0 H GLU A 15 29.519 -62.607 16.475 1.00 0.00 H new ATOM 0 HA GLU A 15 29.761 -64.936 18.096 1.00 0.00 H new ATOM 0 HB2 GLU A 15 27.667 -66.062 17.522 1.00 0.00 H new ATOM 0 HB3 GLU A 15 27.317 -64.579 18.387 1.00 0.00 H new ATOM 0 HG2 GLU A 15 26.939 -63.457 16.121 1.00 0.00 H new ATOM 0 HG3 GLU A 15 27.073 -65.043 15.387 1.00 0.00 H new ATOM 248 N LYS A 16 29.660 -64.357 14.883 1.00 0.00 N ATOM 249 CA LYS A 16 30.079 -64.911 13.589 1.00 0.00 C ATOM 250 C LYS A 16 31.579 -64.732 13.345 1.00 0.00 C ATOM 251 O LYS A 16 32.296 -64.062 14.089 1.00 0.00 O ATOM 252 CB LYS A 16 29.293 -64.225 12.468 1.00 0.00 C ATOM 253 CG LYS A 16 27.806 -64.584 12.518 1.00 0.00 C ATOM 254 CD LYS A 16 27.022 -63.876 11.415 1.00 0.00 C ATOM 255 CE LYS A 16 27.439 -64.348 10.022 1.00 0.00 C ATOM 256 NZ LYS A 16 26.623 -63.669 9.001 1.00 0.00 N ATOM 0 H LYS A 16 29.305 -63.401 14.853 1.00 0.00 H new ATOM 0 HA LYS A 16 29.873 -65.981 13.601 1.00 0.00 H new ATOM 0 HB2 LYS A 16 29.409 -63.144 12.550 1.00 0.00 H new ATOM 0 HB3 LYS A 16 29.706 -64.517 11.502 1.00 0.00 H new ATOM 0 HG2 LYS A 16 27.687 -65.663 12.415 1.00 0.00 H new ATOM 0 HG3 LYS A 16 27.397 -64.310 13.490 1.00 0.00 H new ATOM 0 HD2 LYS A 16 25.956 -64.057 11.555 1.00 0.00 H new ATOM 0 HD3 LYS A 16 27.176 -62.800 11.494 1.00 0.00 H new ATOM 0 HE2 LYS A 16 28.495 -64.136 9.857 1.00 0.00 H new ATOM 0 HE3 LYS A 16 27.315 -65.428 9.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 26.910 -63.993 8.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 25.619 -63.893 9.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 26.763 -62.641 9.072 1.00 0.00 H new ATOM 270 N ILE A 17 32.048 -65.353 12.271 1.00 0.00 N ATOM 271 CA ILE A 17 33.475 -65.287 11.940 1.00 0.00 C ATOM 272 C ILE A 17 33.752 -64.050 11.082 1.00 0.00 C ATOM 273 O ILE A 17 33.065 -63.767 10.101 1.00 0.00 O ATOM 274 CB ILE A 17 33.872 -66.568 11.187 1.00 0.00 C ATOM 275 CG1 ILE A 17 33.680 -67.795 12.088 1.00 0.00 C ATOM 276 CG2 ILE A 17 35.330 -66.502 10.718 1.00 0.00 C ATOM 277 CD1 ILE A 17 33.852 -69.106 11.318 1.00 0.00 C ATOM 0 H ILE A 17 31.480 -65.899 11.623 1.00 0.00 H new ATOM 0 HA ILE A 17 34.066 -65.210 12.853 1.00 0.00 H new ATOM 0 HB ILE A 17 33.228 -66.655 10.312 1.00 0.00 H new ATOM 0 HG12 ILE A 17 34.398 -67.759 12.907 1.00 0.00 H new ATOM 0 HG13 ILE A 17 32.686 -67.765 12.534 1.00 0.00 H new ATOM 0 HG21 ILE A 17 35.584 -67.420 10.189 1.00 0.00 H new ATOM 0 HG22 ILE A 17 35.459 -65.651 10.050 1.00 0.00 H new ATOM 0 HG23 ILE A 17 35.985 -66.388 11.582 1.00 0.00 H new ATOM 0 HD11 ILE A 17 33.707 -69.948 11.995 1.00 0.00 H new ATOM 0 HD12 ILE A 17 33.116 -69.156 10.515 1.00 0.00 H new ATOM 0 HD13 ILE A 17 34.855 -69.150 10.894 1.00 0.00 H new ATOM 289 N CYS A 18 34.805 -63.332 11.445 1.00 0.00 N ATOM 290 CA CYS A 18 35.282 -62.235 10.598 1.00 0.00 C ATOM 291 C CYS A 18 36.439 -62.789 9.767 1.00 0.00 C ATOM 292 O CYS A 18 37.526 -63.045 10.284 1.00 0.00 O ATOM 293 CB CYS A 18 35.728 -61.103 11.525 1.00 0.00 C ATOM 294 SG CYS A 18 36.257 -59.659 10.588 1.00 0.00 S ATOM 0 H CYS A 18 35.340 -63.480 12.301 1.00 0.00 H new ATOM 0 HA CYS A 18 34.520 -61.844 9.923 1.00 0.00 H new ATOM 0 HB2 CYS A 18 34.907 -60.828 12.188 1.00 0.00 H new ATOM 0 HB3 CYS A 18 36.546 -61.449 12.157 1.00 0.00 H new ATOM 299 N LEU A 19 36.193 -63.040 8.487 1.00 0.00 N ATOM 300 CA LEU A 19 37.173 -63.787 7.688 1.00 0.00 C ATOM 301 C LEU A 19 37.678 -62.921 6.524 1.00 0.00 C ATOM 302 O LEU A 19 36.863 -62.330 5.815 1.00 0.00 O ATOM 303 CB LEU A 19 36.447 -65.029 7.159 1.00 0.00 C ATOM 304 CG LEU A 19 37.385 -66.038 6.495 1.00 0.00 C ATOM 305 CD1 LEU A 19 38.266 -66.714 7.546 1.00 0.00 C ATOM 306 CD2 LEU A 19 36.561 -67.103 5.776 1.00 0.00 C ATOM 0 H LEU A 19 35.353 -62.751 7.987 1.00 0.00 H new ATOM 0 HA LEU A 19 38.041 -64.067 8.285 1.00 0.00 H new ATOM 0 HB2 LEU A 19 35.925 -65.515 7.983 1.00 0.00 H new ATOM 0 HB3 LEU A 19 35.689 -64.720 6.440 1.00 0.00 H new ATOM 0 HG LEU A 19 38.018 -65.511 5.781 1.00 0.00 H new ATOM 0 HD11 LEU A 19 38.929 -67.430 7.059 1.00 0.00 H new ATOM 0 HD12 LEU A 19 38.861 -65.960 8.061 1.00 0.00 H new ATOM 0 HD13 LEU A 19 37.637 -67.235 8.268 1.00 0.00 H new ATOM 0 HD21 LEU A 19 37.229 -67.822 5.303 1.00 0.00 H new ATOM 0 HD22 LEU A 19 35.925 -67.618 6.496 1.00 0.00 H new ATOM 0 HD23 LEU A 19 35.940 -66.630 5.015 1.00 0.00 H new ATOM 318 N PRO A 20 38.985 -62.819 6.258 1.00 0.00 N ATOM 319 CA PRO A 20 40.029 -63.574 6.966 1.00 0.00 C ATOM 320 C PRO A 20 40.179 -63.195 8.443 1.00 0.00 C ATOM 321 O PRO A 20 39.625 -62.192 8.895 1.00 0.00 O ATOM 322 CB PRO A 20 41.287 -63.191 6.182 1.00 0.00 C ATOM 323 CG PRO A 20 40.792 -62.822 4.786 1.00 0.00 C ATOM 324 CD PRO A 20 39.445 -62.153 5.043 1.00 0.00 C ATOM 0 HA PRO A 20 39.808 -64.641 6.997 1.00 0.00 H new ATOM 0 HB2 PRO A 20 41.803 -62.353 6.651 1.00 0.00 H new ATOM 0 HB3 PRO A 20 41.994 -64.020 6.143 1.00 0.00 H new ATOM 0 HG2 PRO A 20 41.484 -62.148 4.281 1.00 0.00 H new ATOM 0 HG3 PRO A 20 40.687 -63.703 4.153 1.00 0.00 H new ATOM 0 HD2 PRO A 20 39.547 -61.077 5.184 1.00 0.00 H new ATOM 0 HD3 PRO A 20 38.754 -62.301 4.213 1.00 0.00 H new ATOM 332 N PRO A 21 40.911 -63.978 9.233 1.00 0.00 N ATOM 333 CA PRO A 21 40.906 -63.814 10.685 1.00 0.00 C ATOM 334 C PRO A 21 42.004 -62.852 11.134 1.00 0.00 C ATOM 335 O PRO A 21 43.045 -63.240 11.666 1.00 0.00 O ATOM 336 CB PRO A 21 41.183 -65.248 11.129 1.00 0.00 C ATOM 337 CG PRO A 21 42.113 -65.796 10.047 1.00 0.00 C ATOM 338 CD PRO A 21 41.597 -65.174 8.749 1.00 0.00 C ATOM 0 HA PRO A 21 39.992 -63.388 11.098 1.00 0.00 H new ATOM 0 HB2 PRO A 21 41.653 -65.278 12.112 1.00 0.00 H new ATOM 0 HB3 PRO A 21 40.264 -65.830 11.197 1.00 0.00 H new ATOM 0 HG2 PRO A 21 43.150 -65.517 10.236 1.00 0.00 H new ATOM 0 HG3 PRO A 21 42.078 -66.885 10.007 1.00 0.00 H new ATOM 0 HD2 PRO A 21 42.409 -64.929 8.064 1.00 0.00 H new ATOM 0 HD3 PRO A 21 40.922 -65.844 8.217 1.00 0.00 H new ATOM 346 N SER A 22 41.761 -61.575 10.906 1.00 0.00 N ATOM 347 CA SER A 22 42.769 -60.569 11.256 1.00 0.00 C ATOM 348 C SER A 22 42.127 -59.317 11.857 1.00 0.00 C ATOM 349 O SER A 22 42.345 -58.996 13.026 1.00 0.00 O ATOM 350 CB SER A 22 43.602 -60.236 10.014 1.00 0.00 C ATOM 351 OG SER A 22 42.773 -59.730 8.975 1.00 0.00 O ATOM 0 H SER A 22 40.904 -61.208 10.493 1.00 0.00 H new ATOM 0 HA SER A 22 43.427 -60.977 12.023 1.00 0.00 H new ATOM 0 HB2 SER A 22 44.365 -59.500 10.268 1.00 0.00 H new ATOM 0 HB3 SER A 22 44.123 -61.129 9.669 1.00 0.00 H new ATOM 0 HG SER A 22 43.322 -59.521 8.191 1.00 0.00 H new ATOM 357 N SER A 23 41.357 -58.583 11.063 1.00 0.00 N ATOM 358 CA SER A 23 40.850 -57.288 11.532 1.00 0.00 C ATOM 359 C SER A 23 39.408 -57.403 12.026 1.00 0.00 C ATOM 360 O SER A 23 38.455 -57.061 11.326 1.00 0.00 O ATOM 361 CB SER A 23 40.948 -56.278 10.386 1.00 0.00 C ATOM 362 OG SER A 23 42.301 -56.136 9.976 1.00 0.00 O ATOM 0 H SER A 23 41.074 -58.846 10.119 1.00 0.00 H new ATOM 0 HA SER A 23 41.454 -56.951 12.375 1.00 0.00 H new ATOM 0 HB2 SER A 23 40.338 -56.609 9.546 1.00 0.00 H new ATOM 0 HB3 SER A 23 40.553 -55.314 10.706 1.00 0.00 H new ATOM 0 HG SER A 23 42.354 -55.489 9.241 1.00 0.00 H new ATOM 368 N ASP A 24 39.250 -57.850 13.265 1.00 0.00 N ATOM 369 CA ASP A 24 37.922 -57.840 13.885 1.00 0.00 C ATOM 370 C ASP A 24 37.891 -56.719 14.926 1.00 0.00 C ATOM 371 O ASP A 24 38.655 -56.716 15.891 1.00 0.00 O ATOM 372 CB ASP A 24 37.667 -59.206 14.527 1.00 0.00 C ATOM 373 CG ASP A 24 36.272 -59.289 15.128 1.00 0.00 C ATOM 374 OD1 ASP A 24 35.307 -59.559 14.381 1.00 0.00 O ATOM 375 OD2 ASP A 24 36.130 -59.082 16.352 1.00 0.00 O ATOM 0 H ASP A 24 40.000 -58.216 13.852 1.00 0.00 H new ATOM 0 HA ASP A 24 37.139 -57.659 13.148 1.00 0.00 H new ATOM 0 HB2 ASP A 24 37.789 -59.989 13.779 1.00 0.00 H new ATOM 0 HB3 ASP A 24 38.410 -59.389 15.303 1.00 0.00 H new ATOM 380 N PHE A 25 37.015 -55.744 14.725 1.00 0.00 N ATOM 381 CA PHE A 25 36.982 -54.595 15.638 1.00 0.00 C ATOM 382 C PHE A 25 35.913 -54.818 16.709 1.00 0.00 C ATOM 383 O PHE A 25 34.938 -55.538 16.501 1.00 0.00 O ATOM 384 CB PHE A 25 36.678 -53.321 14.844 1.00 0.00 C ATOM 385 CG PHE A 25 37.660 -53.083 13.712 1.00 0.00 C ATOM 386 CD1 PHE A 25 38.913 -52.656 13.980 1.00 0.00 C ATOM 387 CD2 PHE A 25 37.281 -53.290 12.430 1.00 0.00 C ATOM 388 CE1 PHE A 25 39.787 -52.441 12.973 1.00 0.00 C ATOM 389 CE2 PHE A 25 38.153 -53.071 11.424 1.00 0.00 C ATOM 390 CZ PHE A 25 39.407 -52.649 11.695 1.00 0.00 C ATOM 0 H PHE A 25 36.335 -55.717 13.965 1.00 0.00 H new ATOM 0 HA PHE A 25 37.951 -54.488 16.125 1.00 0.00 H new ATOM 0 HB2 PHE A 25 35.669 -53.385 14.436 1.00 0.00 H new ATOM 0 HB3 PHE A 25 36.695 -52.465 15.519 1.00 0.00 H new ATOM 0 HD1 PHE A 25 39.217 -52.486 15.002 1.00 0.00 H new ATOM 0 HD2 PHE A 25 36.280 -53.631 12.212 1.00 0.00 H new ATOM 0 HE1 PHE A 25 40.789 -52.103 13.190 1.00 0.00 H new ATOM 0 HE2 PHE A 25 37.848 -53.233 10.401 1.00 0.00 H new ATOM 0 HZ PHE A 25 40.105 -52.478 10.889 1.00 0.00 H new ATOM 400 N GLY A 26 36.088 -54.201 17.871 1.00 0.00 N ATOM 401 CA GLY A 26 35.133 -54.424 18.963 1.00 0.00 C ATOM 402 C GLY A 26 33.970 -53.441 18.893 1.00 0.00 C ATOM 403 O GLY A 26 33.266 -53.358 17.887 1.00 0.00 O ATOM 0 H GLY A 26 36.854 -53.562 18.084 1.00 0.00 H new ATOM 0 HA2 GLY A 26 34.753 -55.444 18.913 1.00 0.00 H new ATOM 0 HA3 GLY A 26 35.642 -54.320 19.921 1.00 0.00 H new ATOM 407 N LYS A 27 33.759 -52.680 19.961 1.00 0.00 N ATOM 408 CA LYS A 27 32.713 -51.653 19.913 1.00 0.00 C ATOM 409 C LYS A 27 33.211 -50.470 19.085 1.00 0.00 C ATOM 410 O LYS A 27 33.947 -49.609 19.566 1.00 0.00 O ATOM 411 CB LYS A 27 32.363 -51.132 21.311 1.00 0.00 C ATOM 412 CG LYS A 27 31.761 -52.181 22.247 1.00 0.00 C ATOM 413 CD LYS A 27 31.391 -51.502 23.570 1.00 0.00 C ATOM 414 CE LYS A 27 30.693 -52.438 24.557 1.00 0.00 C ATOM 415 NZ LYS A 27 31.574 -53.554 24.940 1.00 0.00 N ATOM 0 H LYS A 27 34.273 -52.745 20.840 1.00 0.00 H new ATOM 0 HA LYS A 27 31.825 -52.107 19.472 1.00 0.00 H new ATOM 0 HB2 LYS A 27 33.265 -50.728 21.771 1.00 0.00 H new ATOM 0 HB3 LYS A 27 31.659 -50.306 21.211 1.00 0.00 H new ATOM 0 HG2 LYS A 27 30.878 -52.631 21.793 1.00 0.00 H new ATOM 0 HG3 LYS A 27 32.475 -52.986 22.422 1.00 0.00 H new ATOM 0 HD2 LYS A 27 32.295 -51.107 24.033 1.00 0.00 H new ATOM 0 HD3 LYS A 27 30.740 -50.652 23.364 1.00 0.00 H new ATOM 0 HE2 LYS A 27 30.399 -51.881 25.446 1.00 0.00 H new ATOM 0 HE3 LYS A 27 29.779 -52.829 24.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 31.110 -54.127 25.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 31.766 -54.147 24.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 32.470 -53.178 25.310 1.00 0.00 H new ATOM 429 N MET A 28 32.789 -50.418 17.833 1.00 0.00 N ATOM 430 CA MET A 28 33.146 -49.277 16.987 1.00 0.00 C ATOM 431 C MET A 28 31.940 -48.333 16.977 1.00 0.00 C ATOM 432 O MET A 28 31.501 -47.885 18.036 1.00 0.00 O ATOM 433 CB MET A 28 33.525 -49.835 15.613 1.00 0.00 C ATOM 434 CG MET A 28 34.821 -50.645 15.679 1.00 0.00 C ATOM 435 SD MET A 28 36.218 -49.548 15.960 1.00 0.00 S ATOM 436 CE MET A 28 36.366 -48.906 14.287 1.00 0.00 C ATOM 0 H MET A 28 32.213 -51.129 17.383 1.00 0.00 H new ATOM 0 HA MET A 28 34.001 -48.702 17.343 1.00 0.00 H new ATOM 0 HB2 MET A 28 32.718 -50.466 15.239 1.00 0.00 H new ATOM 0 HB3 MET A 28 33.642 -49.015 14.905 1.00 0.00 H new ATOM 0 HG2 MET A 28 34.759 -51.381 16.481 1.00 0.00 H new ATOM 0 HG3 MET A 28 34.962 -51.197 14.750 1.00 0.00 H new ATOM 0 HE1 MET A 28 37.357 -48.474 14.149 1.00 0.00 H new ATOM 0 HE2 MET A 28 36.221 -49.716 13.572 1.00 0.00 H new ATOM 0 HE3 MET A 28 35.610 -48.138 14.124 1.00 0.00 H new ATOM 446 N ASP A 29 31.357 -48.047 15.818 1.00 0.00 N ATOM 447 CA ASP A 29 30.078 -47.323 15.821 1.00 0.00 C ATOM 448 C ASP A 29 28.912 -48.279 15.530 1.00 0.00 C ATOM 449 O ASP A 29 27.954 -47.939 14.835 1.00 0.00 O ATOM 450 CB ASP A 29 30.124 -46.127 14.861 1.00 0.00 C ATOM 451 CG ASP A 29 30.291 -46.502 13.395 1.00 0.00 C ATOM 452 OD1 ASP A 29 31.386 -46.961 13.003 1.00 0.00 O ATOM 453 OD2 ASP A 29 29.330 -46.313 12.618 1.00 0.00 O ATOM 0 H ASP A 29 31.724 -48.290 14.898 1.00 0.00 H new ATOM 0 HA ASP A 29 29.906 -46.914 16.817 1.00 0.00 H new ATOM 0 HB2 ASP A 29 29.205 -45.551 14.974 1.00 0.00 H new ATOM 0 HB3 ASP A 29 30.947 -45.474 15.152 1.00 0.00 H new ATOM 458 N CYS A 30 28.966 -49.472 16.112 1.00 0.00 N ATOM 459 CA CYS A 30 27.806 -50.367 16.066 1.00 0.00 C ATOM 460 C CYS A 30 26.985 -50.143 17.343 1.00 0.00 C ATOM 461 O CYS A 30 27.186 -49.163 18.061 1.00 0.00 O ATOM 462 CB CYS A 30 28.313 -51.809 15.962 1.00 0.00 C ATOM 463 SG CYS A 30 29.378 -52.015 14.519 1.00 0.00 S ATOM 0 H CYS A 30 29.777 -49.839 16.610 1.00 0.00 H new ATOM 0 HA CYS A 30 27.170 -50.167 15.204 1.00 0.00 H new ATOM 0 HB2 CYS A 30 28.863 -52.071 16.866 1.00 0.00 H new ATOM 0 HB3 CYS A 30 27.467 -52.492 15.895 1.00 0.00 H new ATOM 468 N ARG A 31 26.058 -51.039 17.661 1.00 0.00 N ATOM 469 CA ARG A 31 25.319 -50.873 18.919 1.00 0.00 C ATOM 470 C ARG A 31 26.100 -51.514 20.072 1.00 0.00 C ATOM 471 O ARG A 31 27.262 -51.897 19.936 1.00 0.00 O ATOM 472 CB ARG A 31 23.884 -51.397 18.769 1.00 0.00 C ATOM 473 CG ARG A 31 23.787 -52.926 18.816 1.00 0.00 C ATOM 474 CD ARG A 31 22.388 -53.428 18.445 1.00 0.00 C ATOM 475 NE ARG A 31 22.075 -53.089 17.052 1.00 0.00 N ATOM 476 CZ ARG A 31 20.852 -53.259 16.568 1.00 0.00 C ATOM 477 NH1 ARG A 31 19.886 -53.774 17.308 1.00 0.00 N ATOM 478 NH2 ARG A 31 20.598 -52.904 15.325 1.00 0.00 N ATOM 0 H ARG A 31 25.804 -51.852 17.100 1.00 0.00 H new ATOM 0 HA ARG A 31 25.225 -49.815 19.164 1.00 0.00 H new ATOM 0 HB2 ARG A 31 23.267 -50.976 19.563 1.00 0.00 H new ATOM 0 HB3 ARG A 31 23.473 -51.043 17.824 1.00 0.00 H new ATOM 0 HG2 ARG A 31 24.519 -53.356 18.132 1.00 0.00 H new ATOM 0 HG3 ARG A 31 24.043 -53.274 19.817 1.00 0.00 H new ATOM 0 HD2 ARG A 31 22.334 -54.508 18.584 1.00 0.00 H new ATOM 0 HD3 ARG A 31 21.647 -52.983 19.109 1.00 0.00 H new ATOM 0 HE ARG A 31 22.808 -52.718 16.448 1.00 0.00 H new ATOM 0 HH11 ARG A 31 20.074 -54.050 18.272 1.00 0.00 H new ATOM 0 HH12 ARG A 31 18.953 -53.896 16.915 1.00 0.00 H new ATOM 0 HH21 ARG A 31 21.338 -52.504 14.748 1.00 0.00 H new ATOM 0 HH22 ARG A 31 19.662 -53.029 14.940 1.00 0.00 H new ATOM 492 N TRP A 32 25.472 -51.599 21.233 1.00 0.00 N ATOM 493 CA TRP A 32 26.205 -51.992 22.440 1.00 0.00 C ATOM 494 C TRP A 32 26.859 -53.374 22.349 1.00 0.00 C ATOM 495 O TRP A 32 28.014 -53.549 22.736 1.00 0.00 O ATOM 496 CB TRP A 32 25.198 -51.915 23.591 1.00 0.00 C ATOM 497 CG TRP A 32 25.834 -52.036 24.962 1.00 0.00 C ATOM 498 CD1 TRP A 32 25.496 -52.975 25.941 1.00 0.00 C ATOM 499 CD2 TRP A 32 26.798 -51.237 25.529 1.00 0.00 C ATOM 500 NE1 TRP A 32 26.248 -52.772 27.107 1.00 0.00 N ATOM 501 CE2 TRP A 32 27.044 -51.680 26.797 1.00 0.00 C ATOM 502 CE3 TRP A 32 27.440 -50.167 25.020 1.00 0.00 C ATOM 503 CZ2 TRP A 32 27.947 -51.058 27.582 1.00 0.00 C ATOM 504 CZ3 TRP A 32 28.352 -49.545 25.807 1.00 0.00 C ATOM 505 CH2 TRP A 32 28.603 -49.985 27.072 1.00 0.00 C ATOM 0 H TRP A 32 24.480 -51.408 21.372 1.00 0.00 H new ATOM 0 HA TRP A 32 27.048 -51.318 22.591 1.00 0.00 H new ATOM 0 HB2 TRP A 32 24.661 -50.968 23.531 1.00 0.00 H new ATOM 0 HB3 TRP A 32 24.460 -52.708 23.471 1.00 0.00 H new ATOM 0 HD1 TRP A 32 24.756 -53.752 25.816 1.00 0.00 H new ATOM 0 HE1 TRP A 32 26.217 -53.302 27.978 1.00 0.00 H new ATOM 0 HE3 TRP A 32 27.235 -49.817 24.019 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 28.142 -51.403 28.586 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 28.887 -48.688 25.426 1.00 0.00 H new ATOM 0 HH2 TRP A 32 29.335 -49.472 27.678 1.00 0.00 H new ATOM 516 N ARG A 33 26.128 -54.364 21.859 1.00 0.00 N ATOM 517 CA ARG A 33 26.658 -55.736 21.877 1.00 0.00 C ATOM 518 C ARG A 33 27.062 -56.251 20.487 1.00 0.00 C ATOM 519 O ARG A 33 27.261 -57.454 20.311 1.00 0.00 O ATOM 520 CB ARG A 33 25.605 -56.657 22.506 1.00 0.00 C ATOM 521 CG ARG A 33 25.286 -56.254 23.951 1.00 0.00 C ATOM 522 CD ARG A 33 24.349 -57.260 24.620 1.00 0.00 C ATOM 523 NE ARG A 33 23.999 -56.795 25.967 1.00 0.00 N ATOM 524 CZ ARG A 33 23.315 -57.576 26.793 1.00 0.00 C ATOM 525 NH1 ARG A 33 22.960 -58.799 26.441 1.00 0.00 N ATOM 526 NH2 ARG A 33 22.982 -57.126 27.987 1.00 0.00 N ATOM 0 H ARG A 33 25.197 -54.260 21.455 1.00 0.00 H new ATOM 0 HA ARG A 33 27.573 -55.733 22.469 1.00 0.00 H new ATOM 0 HB2 ARG A 33 24.693 -56.626 21.910 1.00 0.00 H new ATOM 0 HB3 ARG A 33 25.964 -57.686 22.486 1.00 0.00 H new ATOM 0 HG2 ARG A 33 26.211 -56.182 24.522 1.00 0.00 H new ATOM 0 HG3 ARG A 33 24.827 -55.265 23.961 1.00 0.00 H new ATOM 0 HD2 ARG A 33 23.446 -57.383 24.022 1.00 0.00 H new ATOM 0 HD3 ARG A 33 24.830 -58.237 24.676 1.00 0.00 H new ATOM 0 HE ARG A 33 24.284 -55.864 26.271 1.00 0.00 H new ATOM 0 HH11 ARG A 33 23.212 -59.158 25.520 1.00 0.00 H new ATOM 0 HH12 ARG A 33 22.434 -59.384 27.090 1.00 0.00 H new ATOM 0 HH21 ARG A 33 23.250 -56.183 28.270 1.00 0.00 H new ATOM 0 HH22 ARG A 33 22.456 -57.720 28.628 1.00 0.00 H new ATOM 540 N TRP A 34 27.214 -55.377 19.496 1.00 0.00 N ATOM 541 CA TRP A 34 27.642 -55.840 18.166 1.00 0.00 C ATOM 542 C TRP A 34 29.055 -55.332 17.852 1.00 0.00 C ATOM 543 O TRP A 34 29.644 -54.549 18.598 1.00 0.00 O ATOM 544 CB TRP A 34 26.648 -55.345 17.108 1.00 0.00 C ATOM 545 CG TRP A 34 25.341 -56.124 17.069 1.00 0.00 C ATOM 546 CD1 TRP A 34 24.858 -57.065 17.990 1.00 0.00 C ATOM 547 CD2 TRP A 34 24.407 -56.081 16.063 1.00 0.00 C ATOM 548 NE1 TRP A 34 23.632 -57.592 17.565 1.00 0.00 N ATOM 549 CE2 TRP A 34 23.398 -56.952 16.360 1.00 0.00 C ATOM 550 CE3 TRP A 34 24.409 -55.370 14.919 1.00 0.00 C ATOM 551 CZ2 TRP A 34 22.365 -57.126 15.509 1.00 0.00 C ATOM 552 CZ3 TRP A 34 23.366 -55.539 14.068 1.00 0.00 C ATOM 553 CH2 TRP A 34 22.356 -56.405 14.360 1.00 0.00 C ATOM 0 H TRP A 34 27.055 -54.373 19.576 1.00 0.00 H new ATOM 0 HA TRP A 34 27.662 -56.930 18.156 1.00 0.00 H new ATOM 0 HB2 TRP A 34 26.427 -54.295 17.297 1.00 0.00 H new ATOM 0 HB3 TRP A 34 27.121 -55.400 16.127 1.00 0.00 H new ATOM 0 HD1 TRP A 34 25.363 -57.345 18.903 1.00 0.00 H new ATOM 0 HE1 TRP A 34 23.048 -58.285 18.034 1.00 0.00 H new ATOM 0 HE3 TRP A 34 25.214 -54.688 14.687 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 21.569 -57.819 15.736 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 23.336 -54.979 13.145 1.00 0.00 H new ATOM 0 HH2 TRP A 34 21.536 -56.519 13.667 1.00 0.00 H new ATOM 564 N LYS A 35 29.616 -55.804 16.743 1.00 0.00 N ATOM 565 CA LYS A 35 31.008 -55.463 16.417 1.00 0.00 C ATOM 566 C LYS A 35 31.151 -55.093 14.934 1.00 0.00 C ATOM 567 O LYS A 35 30.232 -55.279 14.137 1.00 0.00 O ATOM 568 CB LYS A 35 31.898 -56.677 16.713 1.00 0.00 C ATOM 569 CG LYS A 35 31.832 -57.112 18.179 1.00 0.00 C ATOM 570 CD LYS A 35 32.982 -58.044 18.584 1.00 0.00 C ATOM 571 CE LYS A 35 32.969 -59.393 17.859 1.00 0.00 C ATOM 572 NZ LYS A 35 33.484 -59.259 16.486 1.00 0.00 N ATOM 0 H LYS A 35 29.148 -56.408 16.067 1.00 0.00 H new ATOM 0 HA LYS A 35 31.308 -54.606 17.021 1.00 0.00 H new ATOM 0 HB2 LYS A 35 31.595 -57.509 16.077 1.00 0.00 H new ATOM 0 HB3 LYS A 35 32.930 -56.438 16.455 1.00 0.00 H new ATOM 0 HG2 LYS A 35 31.849 -56.227 18.815 1.00 0.00 H new ATOM 0 HG3 LYS A 35 30.883 -57.617 18.359 1.00 0.00 H new ATOM 0 HD2 LYS A 35 33.930 -57.544 18.385 1.00 0.00 H new ATOM 0 HD3 LYS A 35 32.934 -58.219 19.659 1.00 0.00 H new ATOM 0 HE2 LYS A 35 33.575 -60.112 18.410 1.00 0.00 H new ATOM 0 HE3 LYS A 35 31.953 -59.786 17.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 33.752 -60.196 16.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 32.747 -58.850 15.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 34.317 -58.637 16.487 1.00 0.00 H new ATOM 586 N CYS A 36 32.320 -54.588 14.550 1.00 0.00 N ATOM 587 CA CYS A 36 32.568 -54.263 13.137 1.00 0.00 C ATOM 588 C CYS A 36 33.652 -55.188 12.570 1.00 0.00 C ATOM 589 O CYS A 36 34.605 -55.551 13.258 1.00 0.00 O ATOM 590 CB CYS A 36 33.011 -52.800 13.061 1.00 0.00 C ATOM 591 SG CYS A 36 33.109 -52.251 11.348 1.00 0.00 S ATOM 0 H CYS A 36 33.100 -54.396 15.178 1.00 0.00 H new ATOM 0 HA CYS A 36 31.664 -54.407 12.546 1.00 0.00 H new ATOM 0 HB2 CYS A 36 32.308 -52.173 13.609 1.00 0.00 H new ATOM 0 HB3 CYS A 36 33.983 -52.684 13.541 1.00 0.00 H new ATOM 596 N CYS A 37 33.513 -55.586 11.309 1.00 0.00 N ATOM 597 CA CYS A 37 34.467 -56.545 10.729 1.00 0.00 C ATOM 598 C CYS A 37 35.094 -56.002 9.442 1.00 0.00 C ATOM 599 O CYS A 37 34.440 -55.356 8.623 1.00 0.00 O ATOM 600 CB CYS A 37 33.713 -57.840 10.421 1.00 0.00 C ATOM 601 SG CYS A 37 34.736 -58.987 9.476 1.00 0.00 S ATOM 0 H CYS A 37 32.774 -55.274 10.679 1.00 0.00 H new ATOM 0 HA CYS A 37 35.272 -56.721 11.442 1.00 0.00 H new ATOM 0 HB2 CYS A 37 33.400 -58.311 11.353 1.00 0.00 H new ATOM 0 HB3 CYS A 37 32.807 -57.611 9.860 1.00 0.00 H new ATOM 606 N LYS A 38 36.372 -56.306 9.250 1.00 0.00 N ATOM 607 CA LYS A 38 37.036 -55.966 7.984 1.00 0.00 C ATOM 608 C LYS A 38 37.938 -57.135 7.579 1.00 0.00 C ATOM 609 O LYS A 38 38.493 -57.846 8.417 1.00 0.00 O ATOM 610 CB LYS A 38 37.856 -54.680 8.160 1.00 0.00 C ATOM 611 CG LYS A 38 38.607 -54.286 6.884 1.00 0.00 C ATOM 612 CD LYS A 38 39.477 -53.048 7.107 1.00 0.00 C ATOM 613 CE LYS A 38 40.294 -52.744 5.850 1.00 0.00 C ATOM 614 NZ LYS A 38 41.120 -51.544 6.062 1.00 0.00 N ATOM 0 H LYS A 38 36.964 -56.777 9.934 1.00 0.00 H new ATOM 0 HA LYS A 38 36.298 -55.793 7.201 1.00 0.00 H new ATOM 0 HB2 LYS A 38 37.192 -53.867 8.453 1.00 0.00 H new ATOM 0 HB3 LYS A 38 38.571 -54.817 8.971 1.00 0.00 H new ATOM 0 HG2 LYS A 38 39.232 -55.117 6.557 1.00 0.00 H new ATOM 0 HG3 LYS A 38 37.892 -54.091 6.085 1.00 0.00 H new ATOM 0 HD2 LYS A 38 38.849 -52.193 7.357 1.00 0.00 H new ATOM 0 HD3 LYS A 38 40.145 -53.211 7.953 1.00 0.00 H new ATOM 0 HE2 LYS A 38 40.930 -53.595 5.606 1.00 0.00 H new ATOM 0 HE3 LYS A 38 39.627 -52.591 5.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 41.928 -51.558 5.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 40.548 -50.693 5.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 41.469 -51.531 7.042 1.00 0.00 H new ATOM 628 N LYS A 39 38.099 -57.334 6.278 1.00 0.00 N ATOM 629 CA LYS A 39 38.965 -58.419 5.807 1.00 0.00 C ATOM 630 C LYS A 39 40.449 -58.029 5.869 1.00 0.00 C ATOM 631 O LYS A 39 40.821 -56.931 6.284 1.00 0.00 O ATOM 632 CB LYS A 39 38.601 -58.730 4.354 1.00 0.00 C ATOM 633 CG LYS A 39 37.188 -59.286 4.178 1.00 0.00 C ATOM 634 CD LYS A 39 37.078 -59.798 2.745 1.00 0.00 C ATOM 635 CE LYS A 39 35.799 -60.591 2.491 1.00 0.00 C ATOM 636 NZ LYS A 39 35.861 -61.147 1.129 1.00 0.00 N ATOM 0 H LYS A 39 37.658 -56.779 5.544 1.00 0.00 H new ATOM 0 HA LYS A 39 38.814 -59.285 6.451 1.00 0.00 H new ATOM 0 HB2 LYS A 39 38.700 -57.820 3.762 1.00 0.00 H new ATOM 0 HB3 LYS A 39 39.317 -59.449 3.956 1.00 0.00 H new ATOM 0 HG2 LYS A 39 37.000 -60.090 4.889 1.00 0.00 H new ATOM 0 HG3 LYS A 39 36.444 -58.512 4.368 1.00 0.00 H new ATOM 0 HD2 LYS A 39 37.117 -58.952 2.059 1.00 0.00 H new ATOM 0 HD3 LYS A 39 37.939 -60.428 2.523 1.00 0.00 H new ATOM 0 HE2 LYS A 39 35.697 -61.392 3.223 1.00 0.00 H new ATOM 0 HE3 LYS A 39 34.926 -59.948 2.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 34.940 -61.560 0.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 36.094 -60.390 0.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 36.594 -61.884 1.088 1.00 0.00 H new ATOM 650 N GLY A 40 41.303 -58.935 5.410 1.00 0.00 N ATOM 651 CA GLY A 40 42.720 -58.595 5.238 1.00 0.00 C ATOM 652 C GLY A 40 43.050 -58.540 3.750 1.00 0.00 C ATOM 653 O GLY A 40 43.254 -57.471 3.175 1.00 0.00 O ATOM 0 H GLY A 40 41.053 -59.890 5.154 1.00 0.00 H new ATOM 0 HA2 GLY A 40 42.934 -57.634 5.705 1.00 0.00 H new ATOM 0 HA3 GLY A 40 43.346 -59.337 5.734 1.00 0.00 H new ATOM 657 N SER A 41 43.072 -59.702 3.112 1.00 0.00 N ATOM 658 CA SER A 41 43.201 -59.733 1.651 1.00 0.00 C ATOM 659 C SER A 41 42.504 -60.995 1.143 1.00 0.00 C ATOM 660 O SER A 41 43.108 -62.062 1.028 1.00 0.00 O ATOM 661 CB SER A 41 44.680 -59.718 1.261 1.00 0.00 C ATOM 662 OG SER A 41 44.807 -59.639 -0.152 1.00 0.00 O ATOM 0 H SER A 41 43.005 -60.615 3.562 1.00 0.00 H new ATOM 0 HA SER A 41 42.735 -58.857 1.200 1.00 0.00 H new ATOM 0 HB2 SER A 41 45.179 -58.869 1.728 1.00 0.00 H new ATOM 0 HB3 SER A 41 45.171 -60.619 1.629 1.00 0.00 H new ATOM 0 HG SER A 41 45.756 -59.628 -0.395 1.00 0.00 H new ATOM 668 N GLY A 42 41.213 -60.891 0.864 1.00 0.00 N ATOM 669 CA GLY A 42 40.475 -62.081 0.431 1.00 0.00 C ATOM 670 C GLY A 42 38.972 -61.851 0.509 1.00 0.00 C ATOM 671 O GLY A 42 38.321 -62.430 1.407 1.00 0.00 O ATOM 672 OXT GLY A 42 38.428 -61.099 -0.327 1.00 0.00 O ATOM 0 H GLY A 42 40.666 -60.032 0.924 1.00 0.00 H new ATOM 0 HA2 GLY A 42 40.755 -62.334 -0.592 1.00 0.00 H new ATOM 0 HA3 GLY A 42 40.749 -62.931 1.056 1.00 0.00 H new TER 676 GLY A 42