USER MOD reduce.3.24.130724 H: found=0, std=0, add=336, rem=0, adj=11 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 39 LYS NZ :NH3+ 152:sc= 0.387 (180deg=-0.0432) USER MOD Set 1.2: A 41 SER OG : rot -150:sc= 0.191 USER MOD Set 2.1: A 1 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 2 LYS NZ :NH3+ 139:sc= 0.648 (180deg=0.0229) USER MOD Single : A 1 TYR N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.0468 X(o=-0.047,f=-0.25) USER MOD Single : A 5 HIS : no HD1:sc=-0.00972 K(o=-0.0097,f=-0.57) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 166:sc= 0.823 (180deg=-0.148!) USER MOD Single : A 10 HIS : no HD1:sc= -0.107 X(o=-0.11,f=-0.11) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0946) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -114:sc= 0.0202 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 176:sc= -2.03 (180deg=-2.09) USER MOD Single : A 35 LYS NZ :NH3+ -163:sc= 1.27 (180deg=0.905) USER MOD Single : A 38 LYS NZ :NH3+ 143:sc= 2.34 (180deg=1.51) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 30.557 -42.551 5.898 1.00 0.00 N ATOM 2 CA TYR A 1 29.474 -42.617 6.893 1.00 0.00 C ATOM 3 C TYR A 1 30.051 -42.310 8.278 1.00 0.00 C ATOM 4 O TYR A 1 29.962 -41.178 8.751 1.00 0.00 O ATOM 5 CB TYR A 1 28.788 -43.985 6.796 1.00 0.00 C ATOM 6 CG TYR A 1 27.568 -44.080 7.691 1.00 0.00 C ATOM 7 CD1 TYR A 1 26.421 -43.457 7.341 1.00 0.00 C ATOM 8 CD2 TYR A 1 27.622 -44.796 8.836 1.00 0.00 C ATOM 9 CE1 TYR A 1 25.335 -43.538 8.140 1.00 0.00 C ATOM 10 CE2 TYR A 1 26.536 -44.878 9.635 1.00 0.00 C ATOM 11 CZ TYR A 1 25.394 -44.247 9.289 1.00 0.00 C ATOM 12 OH TYR A 1 24.298 -44.319 10.108 1.00 0.00 O ATOM 0 H1 TYR A 1 30.174 -42.758 4.954 1.00 0.00 H new ATOM 0 H2 TYR A 1 30.974 -41.598 5.901 1.00 0.00 H new ATOM 0 H3 TYR A 1 31.290 -43.250 6.135 1.00 0.00 H new ATOM 0 HA TYR A 1 28.705 -41.869 6.702 1.00 0.00 H new ATOM 0 HB2 TYR A 1 28.493 -44.169 5.763 1.00 0.00 H new ATOM 0 HB3 TYR A 1 29.498 -44.766 7.069 1.00 0.00 H new ATOM 0 HD1 TYR A 1 26.373 -42.893 6.421 1.00 0.00 H new ATOM 0 HD2 TYR A 1 28.535 -45.303 9.112 1.00 0.00 H new ATOM 0 HE1 TYR A 1 24.420 -43.037 7.861 1.00 0.00 H new ATOM 0 HE2 TYR A 1 26.581 -45.449 10.551 1.00 0.00 H new ATOM 0 HH TYR A 1 24.510 -44.869 10.891 1.00 0.00 H new ATOM 24 N LYS A 2 30.654 -43.296 8.935 1.00 0.00 N ATOM 25 CA LYS A 2 31.244 -43.037 10.255 1.00 0.00 C ATOM 26 C LYS A 2 32.555 -43.828 10.388 1.00 0.00 C ATOM 27 O LYS A 2 33.370 -43.854 9.464 1.00 0.00 O ATOM 28 CB LYS A 2 30.222 -43.365 11.356 1.00 0.00 C ATOM 29 CG LYS A 2 29.023 -42.413 11.348 1.00 0.00 C ATOM 30 CD LYS A 2 28.098 -42.709 12.530 1.00 0.00 C ATOM 31 CE LYS A 2 26.926 -41.730 12.606 1.00 0.00 C ATOM 32 NZ LYS A 2 26.030 -41.904 11.450 1.00 0.00 N ATOM 0 H LYS A 2 30.749 -44.253 8.595 1.00 0.00 H new ATOM 0 HA LYS A 2 31.493 -41.982 10.367 1.00 0.00 H new ATOM 0 HB2 LYS A 2 29.870 -44.388 11.227 1.00 0.00 H new ATOM 0 HB3 LYS A 2 30.713 -43.317 12.328 1.00 0.00 H new ATOM 0 HG2 LYS A 2 29.370 -41.381 11.399 1.00 0.00 H new ATOM 0 HG3 LYS A 2 28.473 -42.518 10.413 1.00 0.00 H new ATOM 0 HD2 LYS A 2 27.715 -43.726 12.443 1.00 0.00 H new ATOM 0 HD3 LYS A 2 28.669 -42.662 13.457 1.00 0.00 H new ATOM 0 HE2 LYS A 2 26.371 -41.890 13.530 1.00 0.00 H new ATOM 0 HE3 LYS A 2 27.301 -40.707 12.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 25.041 -41.840 11.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 26.219 -41.159 10.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 26.197 -42.836 11.019 1.00 0.00 H new ATOM 46 N GLN A 3 32.800 -44.444 11.539 1.00 0.00 N ATOM 47 CA GLN A 3 34.120 -45.043 11.785 1.00 0.00 C ATOM 48 C GLN A 3 34.329 -46.354 11.018 1.00 0.00 C ATOM 49 O GLN A 3 35.355 -46.534 10.361 1.00 0.00 O ATOM 50 CB GLN A 3 34.293 -45.241 13.294 1.00 0.00 C ATOM 51 CG GLN A 3 35.691 -45.750 13.659 1.00 0.00 C ATOM 52 CD GLN A 3 36.784 -44.733 13.351 1.00 0.00 C ATOM 53 OE1 GLN A 3 37.286 -44.635 12.233 1.00 0.00 O ATOM 54 NE2 GLN A 3 37.173 -43.965 14.350 1.00 0.00 N ATOM 0 H GLN A 3 32.129 -44.544 12.300 1.00 0.00 H new ATOM 0 HA GLN A 3 34.885 -44.363 11.410 1.00 0.00 H new ATOM 0 HB2 GLN A 3 34.108 -44.296 13.805 1.00 0.00 H new ATOM 0 HB3 GLN A 3 33.546 -45.949 13.653 1.00 0.00 H new ATOM 0 HG2 GLN A 3 35.718 -45.997 14.720 1.00 0.00 H new ATOM 0 HG3 GLN A 3 35.892 -46.671 13.112 1.00 0.00 H new ATOM 0 HE21 GLN A 3 36.741 -44.065 15.269 1.00 0.00 H new ATOM 0 HE22 GLN A 3 37.906 -43.271 14.204 1.00 0.00 H new ATOM 63 N CYS A 4 33.383 -47.283 11.088 1.00 0.00 N ATOM 64 CA CYS A 4 33.558 -48.551 10.365 1.00 0.00 C ATOM 65 C CYS A 4 33.645 -48.346 8.849 1.00 0.00 C ATOM 66 O CYS A 4 34.347 -49.074 8.146 1.00 0.00 O ATOM 67 CB CYS A 4 32.403 -49.494 10.699 1.00 0.00 C ATOM 68 SG CYS A 4 32.370 -49.818 12.468 1.00 0.00 S ATOM 0 H CYS A 4 32.514 -47.196 11.616 1.00 0.00 H new ATOM 0 HA CYS A 4 34.503 -48.989 10.687 1.00 0.00 H new ATOM 0 HB2 CYS A 4 31.458 -49.052 10.384 1.00 0.00 H new ATOM 0 HB3 CYS A 4 32.516 -50.430 10.151 1.00 0.00 H new ATOM 73 N HIS A 5 32.939 -47.348 8.337 1.00 0.00 N ATOM 74 CA HIS A 5 32.966 -47.091 6.894 1.00 0.00 C ATOM 75 C HIS A 5 34.304 -46.499 6.431 1.00 0.00 C ATOM 76 O HIS A 5 34.722 -46.710 5.292 1.00 0.00 O ATOM 77 CB HIS A 5 31.810 -46.135 6.587 1.00 0.00 C ATOM 78 CG HIS A 5 31.437 -46.128 5.121 1.00 0.00 C ATOM 79 ND1 HIS A 5 32.241 -45.659 4.097 1.00 0.00 N ATOM 80 CD2 HIS A 5 30.211 -46.585 4.613 1.00 0.00 C ATOM 81 CE1 HIS A 5 31.417 -45.889 3.027 1.00 0.00 C ATOM 82 NE2 HIS A 5 30.177 -46.434 3.237 1.00 0.00 N ATOM 0 H HIS A 5 32.352 -46.714 8.879 1.00 0.00 H new ATOM 0 HA HIS A 5 32.855 -48.030 6.352 1.00 0.00 H new ATOM 0 HB2 HIS A 5 30.940 -46.420 7.178 1.00 0.00 H new ATOM 0 HB3 HIS A 5 32.086 -45.126 6.893 1.00 0.00 H new ATOM 0 HD2 HIS A 5 29.410 -46.995 5.209 1.00 0.00 H new ATOM 0 HE1 HIS A 5 31.742 -45.643 2.027 1.00 0.00 H new ATOM 0 HE2 HIS A 5 29.440 -46.663 2.570 1.00 0.00 H new ATOM 91 N LYS A 6 34.983 -45.752 7.294 1.00 0.00 N ATOM 92 CA LYS A 6 36.272 -45.166 6.905 1.00 0.00 C ATOM 93 C LYS A 6 37.337 -46.243 6.669 1.00 0.00 C ATOM 94 O LYS A 6 38.089 -46.181 5.696 1.00 0.00 O ATOM 95 CB LYS A 6 36.709 -44.181 7.994 1.00 0.00 C ATOM 96 CG LYS A 6 37.964 -43.404 7.591 1.00 0.00 C ATOM 97 CD LYS A 6 38.339 -42.390 8.672 1.00 0.00 C ATOM 98 CE LYS A 6 39.562 -41.572 8.257 1.00 0.00 C ATOM 99 NZ LYS A 6 39.890 -40.598 9.313 1.00 0.00 N ATOM 0 H LYS A 6 34.678 -45.538 8.244 1.00 0.00 H new ATOM 0 HA LYS A 6 36.154 -44.638 5.959 1.00 0.00 H new ATOM 0 HB2 LYS A 6 35.898 -43.481 8.197 1.00 0.00 H new ATOM 0 HB3 LYS A 6 36.900 -44.724 8.919 1.00 0.00 H new ATOM 0 HG2 LYS A 6 38.791 -44.096 7.431 1.00 0.00 H new ATOM 0 HG3 LYS A 6 37.792 -42.889 6.646 1.00 0.00 H new ATOM 0 HD2 LYS A 6 37.497 -41.723 8.857 1.00 0.00 H new ATOM 0 HD3 LYS A 6 38.546 -42.910 9.607 1.00 0.00 H new ATOM 0 HE2 LYS A 6 40.411 -42.233 8.082 1.00 0.00 H new ATOM 0 HE3 LYS A 6 39.363 -41.053 7.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 40.722 -40.043 9.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 39.082 -39.960 9.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 40.097 -41.103 10.198 1.00 0.00 H new ATOM 113 N LYS A 7 37.410 -47.242 7.541 1.00 0.00 N ATOM 114 CA LYS A 7 38.365 -48.333 7.312 1.00 0.00 C ATOM 115 C LYS A 7 37.912 -49.248 6.169 1.00 0.00 C ATOM 116 O LYS A 7 38.734 -49.741 5.397 1.00 0.00 O ATOM 117 CB LYS A 7 38.564 -49.136 8.599 1.00 0.00 C ATOM 118 CG LYS A 7 39.277 -48.299 9.663 1.00 0.00 C ATOM 119 CD LYS A 7 39.636 -49.125 10.900 1.00 0.00 C ATOM 120 CE LYS A 7 40.631 -50.252 10.611 1.00 0.00 C ATOM 121 NZ LYS A 7 41.914 -49.714 10.128 1.00 0.00 N ATOM 0 H LYS A 7 36.844 -47.325 8.386 1.00 0.00 H new ATOM 0 HA LYS A 7 39.317 -47.891 7.019 1.00 0.00 H new ATOM 0 HB2 LYS A 7 37.597 -49.466 8.979 1.00 0.00 H new ATOM 0 HB3 LYS A 7 39.146 -50.033 8.386 1.00 0.00 H new ATOM 0 HG2 LYS A 7 40.185 -47.870 9.238 1.00 0.00 H new ATOM 0 HG3 LYS A 7 38.638 -47.466 9.957 1.00 0.00 H new ATOM 0 HD2 LYS A 7 40.056 -48.465 11.659 1.00 0.00 H new ATOM 0 HD3 LYS A 7 38.725 -49.553 11.319 1.00 0.00 H new ATOM 0 HE2 LYS A 7 40.796 -50.837 11.516 1.00 0.00 H new ATOM 0 HE3 LYS A 7 40.213 -50.929 9.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 42.639 -50.459 10.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 41.805 -49.385 9.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 42.205 -48.917 10.730 1.00 0.00 H new ATOM 135 N GLY A 8 36.611 -49.480 6.045 1.00 0.00 N ATOM 136 CA GLY A 8 36.109 -50.263 4.910 1.00 0.00 C ATOM 137 C GLY A 8 35.432 -51.547 5.373 1.00 0.00 C ATOM 138 O GLY A 8 35.803 -52.649 4.970 1.00 0.00 O ATOM 0 H GLY A 8 35.897 -49.150 6.694 1.00 0.00 H new ATOM 0 HA2 GLY A 8 35.401 -49.663 4.338 1.00 0.00 H new ATOM 0 HA3 GLY A 8 36.935 -50.506 4.241 1.00 0.00 H new ATOM 142 N GLY A 9 34.419 -51.410 6.216 1.00 0.00 N ATOM 143 CA GLY A 9 33.720 -52.599 6.707 1.00 0.00 C ATOM 144 C GLY A 9 32.319 -52.244 7.193 1.00 0.00 C ATOM 145 O GLY A 9 31.815 -51.140 6.985 1.00 0.00 O ATOM 0 H GLY A 9 34.067 -50.520 6.568 1.00 0.00 H new ATOM 0 HA2 GLY A 9 33.656 -53.342 5.912 1.00 0.00 H new ATOM 0 HA3 GLY A 9 34.288 -53.050 7.521 1.00 0.00 H new ATOM 149 N HIS A 10 31.674 -53.206 7.834 1.00 0.00 N ATOM 150 CA HIS A 10 30.300 -52.981 8.302 1.00 0.00 C ATOM 151 C HIS A 10 30.115 -53.662 9.658 1.00 0.00 C ATOM 152 O HIS A 10 30.862 -54.568 10.030 1.00 0.00 O ATOM 153 CB HIS A 10 29.302 -53.579 7.301 1.00 0.00 C ATOM 154 CG HIS A 10 29.351 -52.908 5.943 1.00 0.00 C ATOM 155 ND1 HIS A 10 28.684 -51.739 5.623 1.00 0.00 N ATOM 156 CD2 HIS A 10 30.031 -53.409 4.821 1.00 0.00 C ATOM 157 CE1 HIS A 10 29.027 -51.627 4.300 1.00 0.00 C ATOM 158 NE2 HIS A 10 29.835 -52.576 3.731 1.00 0.00 N ATOM 0 H HIS A 10 32.059 -54.128 8.042 1.00 0.00 H new ATOM 0 HA HIS A 10 30.122 -51.909 8.393 1.00 0.00 H new ATOM 0 HB2 HIS A 10 29.508 -54.643 7.182 1.00 0.00 H new ATOM 0 HB3 HIS A 10 28.294 -53.493 7.706 1.00 0.00 H new ATOM 0 HD2 HIS A 10 30.622 -54.313 4.809 1.00 0.00 H new ATOM 0 HE1 HIS A 10 28.663 -50.798 3.711 1.00 0.00 H new ATOM 0 HE2 HIS A 10 30.191 -52.649 2.778 1.00 0.00 H new ATOM 167 N CYS A 11 29.095 -53.252 10.400 1.00 0.00 N ATOM 168 CA CYS A 11 28.811 -53.930 11.669 1.00 0.00 C ATOM 169 C CYS A 11 28.053 -55.235 11.437 1.00 0.00 C ATOM 170 O CYS A 11 27.187 -55.343 10.568 1.00 0.00 O ATOM 171 CB CYS A 11 27.966 -53.038 12.575 1.00 0.00 C ATOM 172 SG CYS A 11 28.906 -51.600 13.097 1.00 0.00 S ATOM 0 H CYS A 11 28.468 -52.483 10.163 1.00 0.00 H new ATOM 0 HA CYS A 11 29.769 -54.145 12.143 1.00 0.00 H new ATOM 0 HB2 CYS A 11 27.067 -52.720 12.046 1.00 0.00 H new ATOM 0 HB3 CYS A 11 27.639 -53.602 13.448 1.00 0.00 H new ATOM 177 N PHE A 12 28.366 -56.224 12.259 1.00 0.00 N ATOM 178 CA PHE A 12 27.631 -57.492 12.208 1.00 0.00 C ATOM 179 C PHE A 12 27.315 -57.908 13.650 1.00 0.00 C ATOM 180 O PHE A 12 28.120 -57.668 14.550 1.00 0.00 O ATOM 181 CB PHE A 12 28.490 -58.573 11.541 1.00 0.00 C ATOM 182 CG PHE A 12 28.922 -58.198 10.134 1.00 0.00 C ATOM 183 CD1 PHE A 12 28.039 -58.256 9.113 1.00 0.00 C ATOM 184 CD2 PHE A 12 30.194 -57.805 9.901 1.00 0.00 C ATOM 185 CE1 PHE A 12 28.426 -57.918 7.864 1.00 0.00 C ATOM 186 CE2 PHE A 12 30.582 -57.469 8.652 1.00 0.00 C ATOM 187 CZ PHE A 12 29.697 -57.526 7.633 1.00 0.00 C ATOM 0 H PHE A 12 29.107 -56.183 12.958 1.00 0.00 H new ATOM 0 HA PHE A 12 26.715 -57.373 11.630 1.00 0.00 H new ATOM 0 HB2 PHE A 12 29.375 -58.755 12.151 1.00 0.00 H new ATOM 0 HB3 PHE A 12 27.929 -59.507 11.507 1.00 0.00 H new ATOM 0 HD1 PHE A 12 27.023 -58.573 9.296 1.00 0.00 H new ATOM 0 HD2 PHE A 12 30.902 -57.760 10.716 1.00 0.00 H new ATOM 0 HE1 PHE A 12 27.718 -57.961 7.049 1.00 0.00 H new ATOM 0 HE2 PHE A 12 31.599 -57.155 8.468 1.00 0.00 H new ATOM 0 HZ PHE A 12 30.006 -57.258 6.634 1.00 0.00 H new ATOM 197 N PRO A 13 26.175 -58.542 13.922 1.00 0.00 N ATOM 198 CA PRO A 13 25.832 -58.952 15.287 1.00 0.00 C ATOM 199 C PRO A 13 26.857 -59.921 15.876 1.00 0.00 C ATOM 200 O PRO A 13 27.548 -60.646 15.159 1.00 0.00 O ATOM 201 CB PRO A 13 24.476 -59.629 15.086 1.00 0.00 C ATOM 202 CG PRO A 13 23.913 -59.010 13.807 1.00 0.00 C ATOM 203 CD PRO A 13 25.136 -58.779 12.923 1.00 0.00 C ATOM 0 HA PRO A 13 25.814 -58.121 15.993 1.00 0.00 H new ATOM 0 HB2 PRO A 13 24.584 -60.709 14.988 1.00 0.00 H new ATOM 0 HB3 PRO A 13 23.816 -59.451 15.935 1.00 0.00 H new ATOM 0 HG2 PRO A 13 23.196 -59.676 13.326 1.00 0.00 H new ATOM 0 HG3 PRO A 13 23.391 -58.076 14.015 1.00 0.00 H new ATOM 0 HD2 PRO A 13 25.359 -59.643 12.296 1.00 0.00 H new ATOM 0 HD3 PRO A 13 25.005 -57.927 12.256 1.00 0.00 H new ATOM 211 N LYS A 14 26.965 -59.940 17.196 1.00 0.00 N ATOM 212 CA LYS A 14 27.972 -60.794 17.829 1.00 0.00 C ATOM 213 C LYS A 14 27.434 -62.217 17.987 1.00 0.00 C ATOM 214 O LYS A 14 26.995 -62.638 19.057 1.00 0.00 O ATOM 215 CB LYS A 14 28.344 -60.167 19.175 1.00 0.00 C ATOM 216 CG LYS A 14 29.498 -60.901 19.855 1.00 0.00 C ATOM 217 CD LYS A 14 29.866 -60.211 21.168 1.00 0.00 C ATOM 218 CE LYS A 14 31.001 -60.961 21.861 1.00 0.00 C ATOM 219 NZ LYS A 14 31.334 -60.301 23.135 1.00 0.00 N ATOM 0 H LYS A 14 26.390 -59.394 17.837 1.00 0.00 H new ATOM 0 HA LYS A 14 28.867 -60.864 17.211 1.00 0.00 H new ATOM 0 HB2 LYS A 14 28.619 -59.123 19.024 1.00 0.00 H new ATOM 0 HB3 LYS A 14 27.473 -60.176 19.831 1.00 0.00 H new ATOM 0 HG2 LYS A 14 29.216 -61.936 20.047 1.00 0.00 H new ATOM 0 HG3 LYS A 14 30.364 -60.924 19.193 1.00 0.00 H new ATOM 0 HD2 LYS A 14 30.167 -59.181 20.974 1.00 0.00 H new ATOM 0 HD3 LYS A 14 28.995 -60.171 21.822 1.00 0.00 H new ATOM 0 HE2 LYS A 14 30.708 -61.995 22.043 1.00 0.00 H new ATOM 0 HE3 LYS A 14 31.879 -60.988 21.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 32.107 -60.817 23.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 31.632 -59.322 22.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 30.498 -60.298 23.753 1.00 0.00 H new ATOM 233 N GLU A 15 27.485 -62.966 16.896 1.00 0.00 N ATOM 234 CA GLU A 15 27.028 -64.359 16.934 1.00 0.00 C ATOM 235 C GLU A 15 27.726 -65.190 15.851 1.00 0.00 C ATOM 236 O GLU A 15 28.042 -66.361 16.059 1.00 0.00 O ATOM 237 CB GLU A 15 25.500 -64.420 16.813 1.00 0.00 C ATOM 238 CG GLU A 15 24.966 -63.970 15.450 1.00 0.00 C ATOM 239 CD GLU A 15 23.447 -63.967 15.426 1.00 0.00 C ATOM 240 OE1 GLU A 15 22.844 -65.054 15.295 1.00 0.00 O ATOM 241 OE2 GLU A 15 22.847 -62.875 15.532 1.00 0.00 O ATOM 0 H GLU A 15 27.829 -62.648 15.990 1.00 0.00 H new ATOM 0 HA GLU A 15 27.300 -64.795 17.895 1.00 0.00 H new ATOM 0 HB2 GLU A 15 25.171 -65.442 17.001 1.00 0.00 H new ATOM 0 HB3 GLU A 15 25.059 -63.795 17.589 1.00 0.00 H new ATOM 0 HG2 GLU A 15 25.337 -62.971 15.223 1.00 0.00 H new ATOM 0 HG3 GLU A 15 25.343 -64.634 14.672 1.00 0.00 H new ATOM 248 N LYS A 16 27.983 -64.594 14.691 1.00 0.00 N ATOM 249 CA LYS A 16 28.689 -65.325 13.633 1.00 0.00 C ATOM 250 C LYS A 16 30.190 -65.051 13.731 1.00 0.00 C ATOM 251 O LYS A 16 30.632 -64.033 14.265 1.00 0.00 O ATOM 252 CB LYS A 16 28.171 -64.893 12.256 1.00 0.00 C ATOM 253 CG LYS A 16 26.662 -65.098 12.075 1.00 0.00 C ATOM 254 CD LYS A 16 26.205 -66.537 12.343 1.00 0.00 C ATOM 255 CE LYS A 16 26.858 -67.561 11.412 1.00 0.00 C ATOM 256 NZ LYS A 16 26.473 -67.310 10.013 1.00 0.00 N ATOM 0 H LYS A 16 27.724 -63.635 14.459 1.00 0.00 H new ATOM 0 HA LYS A 16 28.508 -66.393 13.758 1.00 0.00 H new ATOM 0 HB2 LYS A 16 28.407 -63.840 12.102 1.00 0.00 H new ATOM 0 HB3 LYS A 16 28.700 -65.454 11.486 1.00 0.00 H new ATOM 0 HG2 LYS A 16 26.129 -64.425 12.746 1.00 0.00 H new ATOM 0 HG3 LYS A 16 26.385 -64.820 11.058 1.00 0.00 H new ATOM 0 HD2 LYS A 16 26.434 -66.797 13.376 1.00 0.00 H new ATOM 0 HD3 LYS A 16 25.122 -66.594 12.232 1.00 0.00 H new ATOM 0 HE2 LYS A 16 27.942 -67.511 11.511 1.00 0.00 H new ATOM 0 HE3 LYS A 16 26.558 -68.568 11.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 26.813 -68.090 9.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 25.437 -67.246 9.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 26.897 -66.416 9.691 1.00 0.00 H new ATOM 270 N ILE A 17 30.990 -65.967 13.204 1.00 0.00 N ATOM 271 CA ILE A 17 32.445 -65.784 13.264 1.00 0.00 C ATOM 272 C ILE A 17 32.896 -64.963 12.056 1.00 0.00 C ATOM 273 O ILE A 17 32.563 -65.269 10.911 1.00 0.00 O ATOM 274 CB ILE A 17 33.139 -67.156 13.272 1.00 0.00 C ATOM 275 CG1 ILE A 17 32.714 -67.964 14.505 1.00 0.00 C ATOM 276 CG2 ILE A 17 34.663 -66.989 13.260 1.00 0.00 C ATOM 277 CD1 ILE A 17 33.258 -69.394 14.473 1.00 0.00 C ATOM 0 H ILE A 17 30.676 -66.821 12.742 1.00 0.00 H new ATOM 0 HA ILE A 17 32.716 -65.254 14.177 1.00 0.00 H new ATOM 0 HB ILE A 17 32.837 -67.695 12.374 1.00 0.00 H new ATOM 0 HG12 ILE A 17 33.068 -67.462 15.406 1.00 0.00 H new ATOM 0 HG13 ILE A 17 31.626 -67.992 14.562 1.00 0.00 H new ATOM 0 HG21 ILE A 17 35.137 -67.971 13.266 1.00 0.00 H new ATOM 0 HG22 ILE A 17 34.963 -66.447 12.363 1.00 0.00 H new ATOM 0 HG23 ILE A 17 34.975 -66.430 14.143 1.00 0.00 H new ATOM 0 HD11 ILE A 17 32.931 -69.928 15.366 1.00 0.00 H new ATOM 0 HD12 ILE A 17 32.883 -69.906 13.587 1.00 0.00 H new ATOM 0 HD13 ILE A 17 34.347 -69.368 14.444 1.00 0.00 H new ATOM 289 N CYS A 18 33.688 -63.929 12.307 1.00 0.00 N ATOM 290 CA CYS A 18 34.280 -63.191 11.189 1.00 0.00 C ATOM 291 C CYS A 18 35.585 -63.876 10.787 1.00 0.00 C ATOM 292 O CYS A 18 36.420 -64.207 11.629 1.00 0.00 O ATOM 293 CB CYS A 18 34.540 -61.743 11.600 1.00 0.00 C ATOM 294 SG CYS A 18 35.008 -60.798 10.141 1.00 0.00 S ATOM 0 H CYS A 18 33.932 -63.588 13.237 1.00 0.00 H new ATOM 0 HA CYS A 18 33.596 -63.186 10.340 1.00 0.00 H new ATOM 0 HB2 CYS A 18 33.648 -61.315 12.056 1.00 0.00 H new ATOM 0 HB3 CYS A 18 35.332 -61.700 12.347 1.00 0.00 H new ATOM 299 N LEU A 19 35.751 -64.119 9.495 1.00 0.00 N ATOM 300 CA LEU A 19 36.907 -64.902 9.045 1.00 0.00 C ATOM 301 C LEU A 19 37.700 -64.061 8.037 1.00 0.00 C ATOM 302 O LEU A 19 37.158 -63.672 7.002 1.00 0.00 O ATOM 303 CB LEU A 19 36.349 -66.188 8.417 1.00 0.00 C ATOM 304 CG LEU A 19 37.354 -67.335 8.246 1.00 0.00 C ATOM 305 CD1 LEU A 19 38.504 -66.974 7.306 1.00 0.00 C ATOM 306 CD2 LEU A 19 37.895 -67.788 9.603 1.00 0.00 C ATOM 0 H LEU A 19 35.125 -63.800 8.755 1.00 0.00 H new ATOM 0 HA LEU A 19 37.585 -65.164 9.857 1.00 0.00 H new ATOM 0 HB2 LEU A 19 35.523 -66.542 9.033 1.00 0.00 H new ATOM 0 HB3 LEU A 19 35.935 -65.943 7.439 1.00 0.00 H new ATOM 0 HG LEU A 19 36.812 -68.161 7.785 1.00 0.00 H new ATOM 0 HD11 LEU A 19 39.185 -67.821 7.222 1.00 0.00 H new ATOM 0 HD12 LEU A 19 38.106 -66.729 6.321 1.00 0.00 H new ATOM 0 HD13 LEU A 19 39.043 -66.114 7.704 1.00 0.00 H new ATOM 0 HD21 LEU A 19 38.606 -68.602 9.458 1.00 0.00 H new ATOM 0 HD22 LEU A 19 38.395 -66.952 10.093 1.00 0.00 H new ATOM 0 HD23 LEU A 19 37.070 -68.133 10.227 1.00 0.00 H new ATOM 318 N PRO A 20 38.972 -63.743 8.286 1.00 0.00 N ATOM 319 CA PRO A 20 39.725 -64.262 9.433 1.00 0.00 C ATOM 320 C PRO A 20 39.413 -63.490 10.720 1.00 0.00 C ATOM 321 O PRO A 20 38.910 -62.366 10.678 1.00 0.00 O ATOM 322 CB PRO A 20 41.167 -64.024 8.977 1.00 0.00 C ATOM 323 CG PRO A 20 41.087 -62.806 8.057 1.00 0.00 C ATOM 324 CD PRO A 20 39.765 -62.990 7.317 1.00 0.00 C ATOM 0 HA PRO A 20 39.495 -65.299 9.679 1.00 0.00 H new ATOM 0 HB2 PRO A 20 41.825 -63.837 9.826 1.00 0.00 H new ATOM 0 HB3 PRO A 20 41.564 -64.892 8.451 1.00 0.00 H new ATOM 0 HG2 PRO A 20 41.101 -61.875 8.624 1.00 0.00 H new ATOM 0 HG3 PRO A 20 41.930 -62.771 7.367 1.00 0.00 H new ATOM 0 HD2 PRO A 20 39.302 -62.035 7.066 1.00 0.00 H new ATOM 0 HD3 PRO A 20 39.894 -63.537 6.383 1.00 0.00 H new ATOM 332 N PRO A 21 39.707 -64.065 11.885 1.00 0.00 N ATOM 333 CA PRO A 21 39.375 -63.429 13.163 1.00 0.00 C ATOM 334 C PRO A 21 40.371 -62.339 13.581 1.00 0.00 C ATOM 335 O PRO A 21 40.150 -61.628 14.561 1.00 0.00 O ATOM 336 CB PRO A 21 39.450 -64.624 14.114 1.00 0.00 C ATOM 337 CG PRO A 21 40.490 -65.554 13.488 1.00 0.00 C ATOM 338 CD PRO A 21 40.250 -65.419 11.987 1.00 0.00 C ATOM 0 HA PRO A 21 38.419 -62.907 13.140 1.00 0.00 H new ATOM 0 HB2 PRO A 21 39.748 -64.315 15.116 1.00 0.00 H new ATOM 0 HB3 PRO A 21 38.483 -65.117 14.207 1.00 0.00 H new ATOM 0 HG2 PRO A 21 41.504 -65.259 13.758 1.00 0.00 H new ATOM 0 HG3 PRO A 21 40.358 -66.583 13.822 1.00 0.00 H new ATOM 0 HD2 PRO A 21 41.171 -65.533 11.415 1.00 0.00 H new ATOM 0 HD3 PRO A 21 39.550 -66.168 11.617 1.00 0.00 H new ATOM 346 N SER A 22 41.477 -62.201 12.861 1.00 0.00 N ATOM 347 CA SER A 22 42.477 -61.196 13.238 1.00 0.00 C ATOM 348 C SER A 22 41.988 -59.774 12.955 1.00 0.00 C ATOM 349 O SER A 22 42.168 -58.874 13.776 1.00 0.00 O ATOM 350 CB SER A 22 43.781 -61.469 12.488 1.00 0.00 C ATOM 351 OG SER A 22 44.265 -62.769 12.800 1.00 0.00 O ATOM 0 H SER A 22 41.706 -62.753 12.034 1.00 0.00 H new ATOM 0 HA SER A 22 42.648 -61.272 14.312 1.00 0.00 H new ATOM 0 HB2 SER A 22 43.616 -61.383 11.414 1.00 0.00 H new ATOM 0 HB3 SER A 22 44.527 -60.721 12.757 1.00 0.00 H new ATOM 0 HG SER A 22 45.099 -62.933 12.313 1.00 0.00 H new ATOM 357 N SER A 23 41.362 -59.553 11.805 1.00 0.00 N ATOM 358 CA SER A 23 40.814 -58.222 11.522 1.00 0.00 C ATOM 359 C SER A 23 39.383 -58.120 12.058 1.00 0.00 C ATOM 360 O SER A 23 38.411 -57.980 11.316 1.00 0.00 O ATOM 361 CB SER A 23 40.880 -57.976 10.014 1.00 0.00 C ATOM 362 OG SER A 23 40.434 -56.660 9.712 1.00 0.00 O ATOM 0 H SER A 23 41.221 -60.249 11.072 1.00 0.00 H new ATOM 0 HA SER A 23 41.400 -57.452 12.024 1.00 0.00 H new ATOM 0 HB2 SER A 23 41.902 -58.112 9.660 1.00 0.00 H new ATOM 0 HB3 SER A 23 40.262 -58.706 9.491 1.00 0.00 H new ATOM 0 HG SER A 23 39.600 -56.707 9.199 1.00 0.00 H new ATOM 368 N ASP A 24 39.267 -58.184 13.377 1.00 0.00 N ATOM 369 CA ASP A 24 37.952 -58.095 14.017 1.00 0.00 C ATOM 370 C ASP A 24 37.958 -56.859 14.912 1.00 0.00 C ATOM 371 O ASP A 24 38.780 -56.726 15.820 1.00 0.00 O ATOM 372 CB ASP A 24 37.734 -59.376 14.828 1.00 0.00 C ATOM 373 CG ASP A 24 36.338 -59.455 15.430 1.00 0.00 C ATOM 374 OD1 ASP A 24 35.397 -59.860 14.714 1.00 0.00 O ATOM 375 OD2 ASP A 24 36.175 -59.127 16.626 1.00 0.00 O ATOM 0 H ASP A 24 40.051 -58.295 14.020 1.00 0.00 H new ATOM 0 HA ASP A 24 37.143 -58.002 13.293 1.00 0.00 H new ATOM 0 HB2 ASP A 24 37.899 -60.241 14.186 1.00 0.00 H new ATOM 0 HB3 ASP A 24 38.474 -59.427 15.627 1.00 0.00 H new ATOM 380 N PHE A 25 37.058 -55.929 14.637 1.00 0.00 N ATOM 381 CA PHE A 25 37.062 -54.669 15.386 1.00 0.00 C ATOM 382 C PHE A 25 35.946 -54.693 16.429 1.00 0.00 C ATOM 383 O PHE A 25 34.938 -55.387 16.284 1.00 0.00 O ATOM 384 CB PHE A 25 36.871 -53.495 14.423 1.00 0.00 C ATOM 385 CG PHE A 25 37.863 -53.498 13.274 1.00 0.00 C ATOM 386 CD1 PHE A 25 39.181 -53.304 13.502 1.00 0.00 C ATOM 387 CD2 PHE A 25 37.421 -53.688 12.011 1.00 0.00 C ATOM 388 CE1 PHE A 25 40.054 -53.314 12.471 1.00 0.00 C ATOM 389 CE2 PHE A 25 38.293 -53.694 10.981 1.00 0.00 C ATOM 390 CZ PHE A 25 39.611 -53.512 11.212 1.00 0.00 C ATOM 0 H PHE A 25 36.333 -56.010 13.924 1.00 0.00 H new ATOM 0 HA PHE A 25 38.018 -54.548 15.896 1.00 0.00 H new ATOM 0 HB2 PHE A 25 35.858 -53.524 14.021 1.00 0.00 H new ATOM 0 HB3 PHE A 25 36.967 -52.560 14.976 1.00 0.00 H new ATOM 0 HD1 PHE A 25 39.536 -53.141 14.509 1.00 0.00 H new ATOM 0 HD2 PHE A 25 36.367 -53.835 11.826 1.00 0.00 H new ATOM 0 HE1 PHE A 25 41.108 -53.163 12.655 1.00 0.00 H new ATOM 0 HE2 PHE A 25 37.937 -53.844 9.973 1.00 0.00 H new ATOM 0 HZ PHE A 25 40.310 -53.525 10.389 1.00 0.00 H new ATOM 400 N GLY A 26 36.127 -53.947 17.508 1.00 0.00 N ATOM 401 CA GLY A 26 35.186 -54.059 18.626 1.00 0.00 C ATOM 402 C GLY A 26 34.041 -53.064 18.491 1.00 0.00 C ATOM 403 O GLY A 26 33.270 -53.096 17.531 1.00 0.00 O ATOM 0 H GLY A 26 36.886 -53.279 17.639 1.00 0.00 H new ATOM 0 HA2 GLY A 26 34.786 -55.072 18.667 1.00 0.00 H new ATOM 0 HA3 GLY A 26 35.712 -53.886 19.565 1.00 0.00 H new ATOM 407 N LYS A 27 33.923 -52.170 19.462 1.00 0.00 N ATOM 408 CA LYS A 27 32.871 -51.153 19.383 1.00 0.00 C ATOM 409 C LYS A 27 33.358 -49.993 18.514 1.00 0.00 C ATOM 410 O LYS A 27 33.819 -48.963 19.006 1.00 0.00 O ATOM 411 CB LYS A 27 32.531 -50.644 20.787 1.00 0.00 C ATOM 412 CG LYS A 27 31.896 -51.725 21.665 1.00 0.00 C ATOM 413 CD LYS A 27 31.512 -51.171 23.039 1.00 0.00 C ATOM 414 CE LYS A 27 32.739 -50.768 23.858 1.00 0.00 C ATOM 415 NZ LYS A 27 32.317 -50.319 25.195 1.00 0.00 N ATOM 0 H LYS A 27 34.518 -52.122 20.289 1.00 0.00 H new ATOM 0 HA LYS A 27 31.975 -51.589 18.941 1.00 0.00 H new ATOM 0 HB2 LYS A 27 33.439 -50.278 21.267 1.00 0.00 H new ATOM 0 HB3 LYS A 27 31.849 -49.798 20.708 1.00 0.00 H new ATOM 0 HG2 LYS A 27 31.010 -52.124 21.171 1.00 0.00 H new ATOM 0 HG3 LYS A 27 32.593 -52.554 21.787 1.00 0.00 H new ATOM 0 HD2 LYS A 27 30.861 -50.306 22.912 1.00 0.00 H new ATOM 0 HD3 LYS A 27 30.942 -51.922 23.586 1.00 0.00 H new ATOM 0 HE2 LYS A 27 33.423 -51.612 23.946 1.00 0.00 H new ATOM 0 HE3 LYS A 27 33.281 -49.970 23.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 33.153 -50.046 25.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 31.681 -49.501 25.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 31.818 -51.092 25.679 1.00 0.00 H new ATOM 429 N MET A 28 33.256 -50.162 17.205 1.00 0.00 N ATOM 430 CA MET A 28 33.705 -49.103 16.297 1.00 0.00 C ATOM 431 C MET A 28 32.605 -48.054 16.129 1.00 0.00 C ATOM 432 O MET A 28 32.713 -46.933 16.627 1.00 0.00 O ATOM 433 CB MET A 28 34.065 -49.727 14.947 1.00 0.00 C ATOM 434 CG MET A 28 35.383 -50.496 14.981 1.00 0.00 C ATOM 435 SD MET A 28 35.801 -51.029 13.312 1.00 0.00 S ATOM 436 CE MET A 28 36.228 -49.442 12.579 1.00 0.00 C ATOM 0 H MET A 28 32.879 -50.994 16.751 1.00 0.00 H new ATOM 0 HA MET A 28 34.584 -48.609 16.711 1.00 0.00 H new ATOM 0 HB2 MET A 28 33.265 -50.400 14.639 1.00 0.00 H new ATOM 0 HB3 MET A 28 34.128 -48.941 14.194 1.00 0.00 H new ATOM 0 HG2 MET A 28 36.176 -49.865 15.383 1.00 0.00 H new ATOM 0 HG3 MET A 28 35.297 -51.360 15.641 1.00 0.00 H new ATOM 0 HE1 MET A 28 36.582 -49.595 11.559 1.00 0.00 H new ATOM 0 HE2 MET A 28 35.348 -48.799 12.565 1.00 0.00 H new ATOM 0 HE3 MET A 28 37.014 -48.969 13.168 1.00 0.00 H new ATOM 446 N ASP A 29 31.542 -48.414 15.423 1.00 0.00 N ATOM 447 CA ASP A 29 30.422 -47.483 15.245 1.00 0.00 C ATOM 448 C ASP A 29 29.111 -48.160 15.666 1.00 0.00 C ATOM 449 O ASP A 29 28.042 -47.895 15.114 1.00 0.00 O ATOM 450 CB ASP A 29 30.402 -47.077 13.767 1.00 0.00 C ATOM 451 CG ASP A 29 29.401 -45.968 13.475 1.00 0.00 C ATOM 452 OD1 ASP A 29 29.450 -44.920 14.154 1.00 0.00 O ATOM 453 OD2 ASP A 29 28.569 -46.134 12.557 1.00 0.00 O ATOM 0 H ASP A 29 31.426 -49.321 14.971 1.00 0.00 H new ATOM 0 HA ASP A 29 30.536 -46.595 15.867 1.00 0.00 H new ATOM 0 HB2 ASP A 29 31.398 -46.748 13.471 1.00 0.00 H new ATOM 0 HB3 ASP A 29 30.160 -47.948 13.158 1.00 0.00 H new ATOM 458 N CYS A 30 29.182 -49.061 16.638 1.00 0.00 N ATOM 459 CA CYS A 30 28.005 -49.870 16.966 1.00 0.00 C ATOM 460 C CYS A 30 28.012 -50.268 18.443 1.00 0.00 C ATOM 461 O CYS A 30 28.909 -49.920 19.212 1.00 0.00 O ATOM 462 CB CYS A 30 28.008 -51.087 16.039 1.00 0.00 C ATOM 463 SG CYS A 30 27.781 -50.519 14.344 1.00 0.00 S ATOM 0 H CYS A 30 30.012 -49.250 17.200 1.00 0.00 H new ATOM 0 HA CYS A 30 27.089 -49.300 16.812 1.00 0.00 H new ATOM 0 HB2 CYS A 30 28.947 -51.632 16.133 1.00 0.00 H new ATOM 0 HB3 CYS A 30 27.211 -51.776 16.317 1.00 0.00 H new ATOM 468 N ARG A 31 26.970 -50.977 18.854 1.00 0.00 N ATOM 469 CA ARG A 31 26.790 -51.256 20.283 1.00 0.00 C ATOM 470 C ARG A 31 27.710 -52.379 20.773 1.00 0.00 C ATOM 471 O ARG A 31 28.560 -52.895 20.048 1.00 0.00 O ATOM 472 CB ARG A 31 25.305 -51.567 20.522 1.00 0.00 C ATOM 473 CG ARG A 31 24.869 -52.893 19.888 1.00 0.00 C ATOM 474 CD ARG A 31 23.347 -53.050 19.862 1.00 0.00 C ATOM 475 NE ARG A 31 22.757 -52.126 18.885 1.00 0.00 N ATOM 476 CZ ARG A 31 21.482 -52.233 18.536 1.00 0.00 C ATOM 477 NH1 ARG A 31 20.697 -53.148 19.077 1.00 0.00 N ATOM 478 NH2 ARG A 31 20.989 -51.412 17.631 1.00 0.00 N ATOM 0 H ARG A 31 26.251 -51.363 18.242 1.00 0.00 H new ATOM 0 HA ARG A 31 27.076 -50.382 20.868 1.00 0.00 H new ATOM 0 HB2 ARG A 31 25.113 -51.601 21.594 1.00 0.00 H new ATOM 0 HB3 ARG A 31 24.698 -50.758 20.115 1.00 0.00 H new ATOM 0 HG2 ARG A 31 25.256 -52.952 18.871 1.00 0.00 H new ATOM 0 HG3 ARG A 31 25.308 -53.721 20.444 1.00 0.00 H new ATOM 0 HD2 ARG A 31 23.085 -54.077 19.607 1.00 0.00 H new ATOM 0 HD3 ARG A 31 22.937 -52.853 20.853 1.00 0.00 H new ATOM 0 HE ARG A 31 23.334 -51.394 18.470 1.00 0.00 H new ATOM 0 HH11 ARG A 31 21.069 -53.789 19.778 1.00 0.00 H new ATOM 0 HH12 ARG A 31 19.719 -53.213 18.794 1.00 0.00 H new ATOM 0 HH21 ARG A 31 21.587 -50.703 17.206 1.00 0.00 H new ATOM 0 HH22 ARG A 31 20.010 -51.486 17.355 1.00 0.00 H new ATOM 492 N TRP A 32 27.541 -52.755 22.033 1.00 0.00 N ATOM 493 CA TRP A 32 28.378 -53.812 22.613 1.00 0.00 C ATOM 494 C TRP A 32 28.177 -55.161 21.919 1.00 0.00 C ATOM 495 O TRP A 32 29.138 -55.821 21.527 1.00 0.00 O ATOM 496 CB TRP A 32 28.016 -53.897 24.100 1.00 0.00 C ATOM 497 CG TRP A 32 28.610 -55.099 24.813 1.00 0.00 C ATOM 498 CD1 TRP A 32 27.883 -56.057 25.526 1.00 0.00 C ATOM 499 CD2 TRP A 32 29.926 -55.484 24.904 1.00 0.00 C ATOM 500 NE1 TRP A 32 28.735 -57.036 26.056 1.00 0.00 N ATOM 501 CE2 TRP A 32 29.995 -56.632 25.642 1.00 0.00 C ATOM 502 CE3 TRP A 32 31.032 -54.910 24.394 1.00 0.00 C ATOM 503 CZ2 TRP A 32 31.181 -57.224 25.886 1.00 0.00 C ATOM 504 CZ3 TRP A 32 32.226 -55.505 24.640 1.00 0.00 C ATOM 505 CH2 TRP A 32 32.299 -56.647 25.378 1.00 0.00 C ATOM 0 H TRP A 32 26.848 -52.357 22.667 1.00 0.00 H new ATOM 0 HA TRP A 32 29.432 -53.568 22.477 1.00 0.00 H new ATOM 0 HB2 TRP A 32 28.354 -52.988 24.598 1.00 0.00 H new ATOM 0 HB3 TRP A 32 26.931 -53.929 24.198 1.00 0.00 H new ATOM 0 HD1 TRP A 32 26.810 -56.045 25.651 1.00 0.00 H new ATOM 0 HE1 TRP A 32 28.487 -57.853 26.614 1.00 0.00 H new ATOM 0 HE3 TRP A 32 30.971 -54.005 23.808 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 31.240 -58.131 26.469 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 33.131 -55.067 24.245 1.00 0.00 H new ATOM 0 HH2 TRP A 32 33.262 -57.101 25.562 1.00 0.00 H new ATOM 516 N ARG A 33 26.932 -55.596 21.788 1.00 0.00 N ATOM 517 CA ARG A 33 26.686 -56.928 21.221 1.00 0.00 C ATOM 518 C ARG A 33 26.759 -56.947 19.688 1.00 0.00 C ATOM 519 O ARG A 33 26.485 -57.973 19.066 1.00 0.00 O ATOM 520 CB ARG A 33 25.324 -57.432 21.710 1.00 0.00 C ATOM 521 CG ARG A 33 25.327 -57.687 23.222 1.00 0.00 C ATOM 522 CD ARG A 33 23.941 -58.098 23.718 1.00 0.00 C ATOM 523 NE ARG A 33 23.992 -58.374 25.158 1.00 0.00 N ATOM 524 CZ ARG A 33 22.881 -58.630 25.835 1.00 0.00 C ATOM 525 NH1 ARG A 33 21.705 -58.655 25.234 1.00 0.00 N ATOM 526 NH2 ARG A 33 22.952 -58.865 27.130 1.00 0.00 N ATOM 0 H ARG A 33 26.098 -55.073 22.054 1.00 0.00 H new ATOM 0 HA ARG A 33 27.478 -57.593 21.566 1.00 0.00 H new ATOM 0 HB2 ARG A 33 24.555 -56.699 21.465 1.00 0.00 H new ATOM 0 HB3 ARG A 33 25.066 -58.352 21.186 1.00 0.00 H new ATOM 0 HG2 ARG A 33 26.048 -58.470 23.460 1.00 0.00 H new ATOM 0 HG3 ARG A 33 25.650 -56.787 23.744 1.00 0.00 H new ATOM 0 HD2 ARG A 33 23.222 -57.304 23.515 1.00 0.00 H new ATOM 0 HD3 ARG A 33 23.599 -58.983 23.180 1.00 0.00 H new ATOM 0 HE ARG A 33 24.890 -58.369 25.642 1.00 0.00 H new ATOM 0 HH11 ARG A 33 21.640 -58.475 24.232 1.00 0.00 H new ATOM 0 HH12 ARG A 33 20.861 -58.854 25.772 1.00 0.00 H new ATOM 0 HH21 ARG A 33 23.856 -58.849 27.602 1.00 0.00 H new ATOM 0 HH22 ARG A 33 22.103 -59.063 27.660 1.00 0.00 H new ATOM 540 N TRP A 34 27.153 -55.845 19.062 1.00 0.00 N ATOM 541 CA TRP A 34 27.459 -55.876 17.627 1.00 0.00 C ATOM 542 C TRP A 34 28.912 -55.423 17.461 1.00 0.00 C ATOM 543 O TRP A 34 29.479 -54.739 18.313 1.00 0.00 O ATOM 544 CB TRP A 34 26.526 -54.937 16.852 1.00 0.00 C ATOM 545 CG TRP A 34 25.114 -55.463 16.644 1.00 0.00 C ATOM 546 CD1 TRP A 34 24.351 -56.287 17.482 1.00 0.00 C ATOM 547 CD2 TRP A 34 24.314 -55.203 15.558 1.00 0.00 C ATOM 548 NE1 TRP A 34 23.090 -56.533 16.925 1.00 0.00 N ATOM 549 CE2 TRP A 34 23.117 -55.836 15.729 1.00 0.00 C ATOM 550 CE3 TRP A 34 24.573 -54.471 14.458 1.00 0.00 C ATOM 551 CZ2 TRP A 34 22.150 -55.746 14.794 1.00 0.00 C ATOM 552 CZ3 TRP A 34 23.600 -54.379 13.517 1.00 0.00 C ATOM 553 CH2 TRP A 34 22.404 -55.008 13.683 1.00 0.00 C ATOM 0 H TRP A 34 27.268 -54.935 19.508 1.00 0.00 H new ATOM 0 HA TRP A 34 27.316 -56.882 17.233 1.00 0.00 H new ATOM 0 HB2 TRP A 34 26.469 -53.986 17.382 1.00 0.00 H new ATOM 0 HB3 TRP A 34 26.969 -54.732 15.877 1.00 0.00 H new ATOM 0 HD1 TRP A 34 24.690 -56.679 18.429 1.00 0.00 H new ATOM 0 HE1 TRP A 34 22.330 -57.094 17.310 1.00 0.00 H new ATOM 0 HE3 TRP A 34 25.523 -53.974 14.329 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 21.202 -56.246 14.925 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 23.777 -53.799 12.624 1.00 0.00 H new ATOM 0 HH2 TRP A 34 21.646 -54.919 12.919 1.00 0.00 H new ATOM 564 N LYS A 35 29.535 -55.815 16.360 1.00 0.00 N ATOM 565 CA LYS A 35 30.948 -55.466 16.159 1.00 0.00 C ATOM 566 C LYS A 35 31.209 -55.155 14.685 1.00 0.00 C ATOM 567 O LYS A 35 30.445 -55.549 13.806 1.00 0.00 O ATOM 568 CB LYS A 35 31.832 -56.638 16.604 1.00 0.00 C ATOM 569 CG LYS A 35 31.497 -57.941 15.869 1.00 0.00 C ATOM 570 CD LYS A 35 32.615 -58.974 16.011 1.00 0.00 C ATOM 571 CE LYS A 35 32.810 -59.428 17.456 1.00 0.00 C ATOM 572 NZ LYS A 35 33.979 -60.320 17.527 1.00 0.00 N ATOM 0 H LYS A 35 29.109 -56.358 15.609 1.00 0.00 H new ATOM 0 HA LYS A 35 31.185 -54.583 16.753 1.00 0.00 H new ATOM 0 HB2 LYS A 35 32.878 -56.386 16.430 1.00 0.00 H new ATOM 0 HB3 LYS A 35 31.715 -56.790 17.677 1.00 0.00 H new ATOM 0 HG2 LYS A 35 30.568 -58.353 16.264 1.00 0.00 H new ATOM 0 HG3 LYS A 35 31.328 -57.730 14.813 1.00 0.00 H new ATOM 0 HD2 LYS A 35 32.387 -59.840 15.389 1.00 0.00 H new ATOM 0 HD3 LYS A 35 33.547 -58.550 15.638 1.00 0.00 H new ATOM 0 HE2 LYS A 35 32.956 -58.565 18.105 1.00 0.00 H new ATOM 0 HE3 LYS A 35 31.919 -59.946 17.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 33.954 -60.855 18.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 33.959 -60.982 16.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 34.851 -59.754 17.487 1.00 0.00 H new ATOM 586 N CYS A 36 32.312 -54.475 14.398 1.00 0.00 N ATOM 587 CA CYS A 36 32.678 -54.243 12.995 1.00 0.00 C ATOM 588 C CYS A 36 33.787 -55.206 12.577 1.00 0.00 C ATOM 589 O CYS A 36 34.578 -55.678 13.393 1.00 0.00 O ATOM 590 CB CYS A 36 33.150 -52.798 12.831 1.00 0.00 C ATOM 591 SG CYS A 36 31.736 -51.685 12.809 1.00 0.00 S ATOM 0 H CYS A 36 32.954 -54.084 15.087 1.00 0.00 H new ATOM 0 HA CYS A 36 31.809 -54.416 12.360 1.00 0.00 H new ATOM 0 HB2 CYS A 36 33.820 -52.531 13.648 1.00 0.00 H new ATOM 0 HB3 CYS A 36 33.718 -52.695 11.906 1.00 0.00 H new ATOM 596 N CYS A 37 33.857 -55.502 11.286 1.00 0.00 N ATOM 597 CA CYS A 37 34.897 -56.421 10.816 1.00 0.00 C ATOM 598 C CYS A 37 35.311 -56.090 9.382 1.00 0.00 C ATOM 599 O CYS A 37 34.561 -55.496 8.605 1.00 0.00 O ATOM 600 CB CYS A 37 34.368 -57.854 10.902 1.00 0.00 C ATOM 601 SG CYS A 37 35.727 -59.015 10.687 1.00 0.00 S ATOM 0 H CYS A 37 33.234 -55.138 10.565 1.00 0.00 H new ATOM 0 HA CYS A 37 35.780 -56.316 11.447 1.00 0.00 H new ATOM 0 HB2 CYS A 37 33.886 -58.017 11.866 1.00 0.00 H new ATOM 0 HB3 CYS A 37 33.611 -58.019 10.136 1.00 0.00 H new ATOM 606 N LYS A 38 36.520 -56.503 9.030 1.00 0.00 N ATOM 607 CA LYS A 38 36.977 -56.363 7.643 1.00 0.00 C ATOM 608 C LYS A 38 37.827 -57.589 7.295 1.00 0.00 C ATOM 609 O LYS A 38 38.281 -58.328 8.170 1.00 0.00 O ATOM 610 CB LYS A 38 37.754 -55.048 7.495 1.00 0.00 C ATOM 611 CG LYS A 38 38.135 -54.771 6.036 1.00 0.00 C ATOM 612 CD LYS A 38 38.693 -53.362 5.821 1.00 0.00 C ATOM 613 CE LYS A 38 40.013 -53.134 6.553 1.00 0.00 C ATOM 614 NZ LYS A 38 40.565 -51.828 6.155 1.00 0.00 N ATOM 0 H LYS A 38 37.194 -56.930 9.665 1.00 0.00 H new ATOM 0 HA LYS A 38 36.139 -56.320 6.948 1.00 0.00 H new ATOM 0 HB2 LYS A 38 37.150 -54.224 7.875 1.00 0.00 H new ATOM 0 HB3 LYS A 38 38.657 -55.089 8.105 1.00 0.00 H new ATOM 0 HG2 LYS A 38 38.877 -55.502 5.715 1.00 0.00 H new ATOM 0 HG3 LYS A 38 37.257 -54.909 5.405 1.00 0.00 H new ATOM 0 HD2 LYS A 38 38.840 -53.192 4.754 1.00 0.00 H new ATOM 0 HD3 LYS A 38 37.961 -52.630 6.163 1.00 0.00 H new ATOM 0 HE2 LYS A 38 39.855 -53.163 7.631 1.00 0.00 H new ATOM 0 HE3 LYS A 38 40.718 -53.929 6.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 41.019 -51.379 6.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 41.268 -51.964 5.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 39.798 -51.218 5.807 1.00 0.00 H new ATOM 628 N LYS A 39 38.045 -57.829 6.009 1.00 0.00 N ATOM 629 CA LYS A 39 38.836 -59.001 5.609 1.00 0.00 C ATOM 630 C LYS A 39 40.281 -58.940 6.118 1.00 0.00 C ATOM 631 O LYS A 39 40.798 -59.916 6.660 1.00 0.00 O ATOM 632 CB LYS A 39 38.772 -59.170 4.086 1.00 0.00 C ATOM 633 CG LYS A 39 39.334 -57.974 3.309 1.00 0.00 C ATOM 634 CD LYS A 39 39.085 -58.167 1.814 1.00 0.00 C ATOM 635 CE LYS A 39 39.587 -56.988 0.978 1.00 0.00 C ATOM 636 NZ LYS A 39 41.058 -56.914 1.014 1.00 0.00 N ATOM 0 H LYS A 39 37.701 -57.253 5.241 1.00 0.00 H new ATOM 0 HA LYS A 39 38.397 -59.881 6.080 1.00 0.00 H new ATOM 0 HB2 LYS A 39 39.325 -60.066 3.805 1.00 0.00 H new ATOM 0 HB3 LYS A 39 37.735 -59.329 3.790 1.00 0.00 H new ATOM 0 HG2 LYS A 39 38.862 -57.053 3.650 1.00 0.00 H new ATOM 0 HG3 LYS A 39 40.403 -57.874 3.499 1.00 0.00 H new ATOM 0 HD2 LYS A 39 39.579 -59.080 1.482 1.00 0.00 H new ATOM 0 HD3 LYS A 39 38.017 -58.302 1.641 1.00 0.00 H new ATOM 0 HE2 LYS A 39 39.248 -57.096 -0.052 1.00 0.00 H new ATOM 0 HE3 LYS A 39 39.162 -56.059 1.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 41.405 -56.472 0.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 41.357 -56.344 1.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 41.452 -57.873 1.098 1.00 0.00 H new ATOM 650 N GLY A 40 40.941 -57.803 5.954 1.00 0.00 N ATOM 651 CA GLY A 40 42.315 -57.684 6.448 1.00 0.00 C ATOM 652 C GLY A 40 43.149 -56.808 5.524 1.00 0.00 C ATOM 653 O GLY A 40 43.969 -57.295 4.746 1.00 0.00 O ATOM 0 H GLY A 40 40.567 -56.971 5.498 1.00 0.00 H new ATOM 0 HA2 GLY A 40 42.310 -57.259 7.452 1.00 0.00 H new ATOM 0 HA3 GLY A 40 42.766 -58.673 6.523 1.00 0.00 H new ATOM 657 N SER A 41 42.946 -55.502 5.613 1.00 0.00 N ATOM 658 CA SER A 41 43.740 -54.585 4.788 1.00 0.00 C ATOM 659 C SER A 41 43.829 -53.221 5.474 1.00 0.00 C ATOM 660 O SER A 41 43.325 -52.215 4.975 1.00 0.00 O ATOM 661 CB SER A 41 43.107 -54.450 3.399 1.00 0.00 C ATOM 662 OG SER A 41 43.093 -55.707 2.735 1.00 0.00 O ATOM 0 H SER A 41 42.262 -55.057 6.226 1.00 0.00 H new ATOM 0 HA SER A 41 44.748 -54.984 4.670 1.00 0.00 H new ATOM 0 HB2 SER A 41 42.090 -54.069 3.492 1.00 0.00 H new ATOM 0 HB3 SER A 41 43.666 -53.725 2.807 1.00 0.00 H new ATOM 0 HG SER A 41 43.154 -55.566 1.767 1.00 0.00 H new ATOM 668 N GLY A 42 44.481 -53.179 6.628 1.00 0.00 N ATOM 669 CA GLY A 42 44.638 -51.901 7.330 1.00 0.00 C ATOM 670 C GLY A 42 43.383 -51.538 8.112 1.00 0.00 C ATOM 671 O GLY A 42 42.497 -50.860 7.549 1.00 0.00 O ATOM 672 OXT GLY A 42 43.279 -51.913 9.300 1.00 0.00 O ATOM 0 H GLY A 42 44.900 -53.985 7.091 1.00 0.00 H new ATOM 0 HA2 GLY A 42 45.488 -51.960 8.010 1.00 0.00 H new ATOM 0 HA3 GLY A 42 44.860 -51.114 6.610 1.00 0.00 H new TER 676 GLY A 42