USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 704 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 MET CE :methyl 162:sc= -0.703 (180deg=-1.65!) USER MOD Set 1.2: A 24 GLN :FLIP amide:sc= -0.0425 F(o=-2,f=-0.75) USER MOD Set 2.1: A 19 TYR OH : rot -35:sc= 0.0689 USER MOD Set 2.2: A 45 SER OG : rot -8:sc= 0.604 USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.0972 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc=-1.66e-05 X(o=-1.7e-05,f=0) USER MOD Single : A 4 MET CE :methyl 161:sc= -0.149 (180deg=-0.683) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -170:sc= -0.0005 (180deg=-0.102) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 178:sc= 1.25 (180deg=1.24) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 108:sc= 0.379 USER MOD Single : A 25 THR OG1 : rot 77:sc= 1.28 USER MOD Single : A 30 HIS : no HD1:sc= -0.0448 X(o=-0.045,f=-0.028) USER MOD Single : A 31 LYS NZ :NH3+ 143:sc= 0.203 (180deg=-2.2!) USER MOD Single : A 32 LYS NZ :NH3+ 163:sc= -0.0221 (180deg=-0.247) USER MOD Single : A 33 LYS NZ :NH3+ -145:sc= -0.805 (180deg=-2.62!) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.695 K(o=0.7,f=-11!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -165:sc= -0.049 (180deg=-0.24) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot -75:sc= 0.741 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 11:sc= 1.16 USER MOD Single : A 55 MET CE :methyl -165:sc= -1.54 (180deg=-2.04) USER MOD Single : A 56 SER OG : rot 180:sc= 0.00436 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0232) USER MOD Single : A 66 MET CE :methyl 179:sc= -0.928 (180deg=-0.968) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -170:sc= 1.21 (180deg=0.96) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl 167:sc= -1.99! (180deg=-2.5!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot -39:sc= 0.281 USER MOD Single : A 81 TYR OH : rot 165:sc= 0.571 USER MOD Single : A 85 LYS NZ :NH3+ -169:sc= -0.0216 (180deg=-0.178) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.243 14.239 14.002 1.00 21.43 N ATOM 2 CA GLY A 1 11.791 15.517 13.428 1.00 61.45 C ATOM 3 C GLY A 1 11.026 16.337 14.435 1.00 34.13 C ATOM 4 O GLY A 1 10.930 15.959 15.603 1.00 64.21 O ATOM 0 H1 GLY A 1 13.278 14.172 13.929 1.00 21.43 H new ATOM 0 H2 GLY A 1 11.963 14.189 15.002 1.00 21.43 H new ATOM 0 H3 GLY A 1 11.808 13.451 13.481 1.00 21.43 H new ATOM 0 HA2 GLY A 1 12.653 16.084 13.076 1.00 61.45 H new ATOM 0 HA3 GLY A 1 11.160 15.324 12.560 1.00 61.45 H new ATOM 10 N SER A 2 10.483 17.450 13.997 1.00 0.20 N ATOM 11 CA SER A 2 9.733 18.323 14.872 1.00 74.21 C ATOM 12 C SER A 2 8.230 18.095 14.689 1.00 73.55 C ATOM 13 O SER A 2 7.786 17.666 13.623 1.00 35.10 O ATOM 14 CB SER A 2 10.099 19.778 14.584 1.00 44.50 C ATOM 15 OG SER A 2 11.507 19.975 14.669 1.00 71.02 O ATOM 0 H SER A 2 10.548 17.774 13.032 1.00 0.20 H new ATOM 0 HA SER A 2 9.986 18.097 15.908 1.00 74.21 H new ATOM 0 HB2 SER A 2 9.748 20.055 13.590 1.00 44.50 H new ATOM 0 HB3 SER A 2 9.593 20.432 15.294 1.00 44.50 H new ATOM 0 HG SER A 2 11.718 20.913 14.479 1.00 71.02 H new ATOM 21 N HIS A 3 7.455 18.372 15.731 1.00 52.52 N ATOM 22 CA HIS A 3 6.004 18.176 15.681 1.00 11.34 C ATOM 23 C HIS A 3 5.264 19.497 15.878 1.00 75.22 C ATOM 24 O HIS A 3 4.097 19.516 16.268 1.00 0.42 O ATOM 25 CB HIS A 3 5.552 17.142 16.740 1.00 31.41 C ATOM 26 CG HIS A 3 5.805 17.546 18.174 1.00 71.44 C ATOM 27 ND1 HIS A 3 6.911 17.142 18.884 1.00 14.13 N ATOM 28 CD2 HIS A 3 5.077 18.306 19.028 1.00 74.24 C ATOM 29 CE1 HIS A 3 6.856 17.631 20.103 1.00 34.24 C ATOM 30 NE2 HIS A 3 5.755 18.341 20.217 1.00 0.11 N ATOM 0 H HIS A 3 7.802 18.732 16.620 1.00 52.52 H new ATOM 0 HA HIS A 3 5.755 17.790 14.693 1.00 11.34 H new ATOM 0 HB2 HIS A 3 4.485 16.957 16.613 1.00 31.41 H new ATOM 0 HB3 HIS A 3 6.064 16.199 16.548 1.00 31.41 H new ATOM 0 HD2 HIS A 3 4.138 18.793 18.811 1.00 74.24 H new ATOM 0 HE1 HIS A 3 7.591 17.476 20.879 1.00 34.24 H new ATOM 0 HE2 HIS A 3 5.455 18.838 21.056 1.00 0.11 H new ATOM 39 N MET A 4 5.939 20.594 15.587 1.00 23.25 N ATOM 40 CA MET A 4 5.356 21.918 15.774 1.00 1.40 C ATOM 41 C MET A 4 4.589 22.371 14.538 1.00 30.01 C ATOM 42 O MET A 4 3.807 23.319 14.598 1.00 45.11 O ATOM 43 CB MET A 4 6.435 22.940 16.125 1.00 43.33 C ATOM 44 CG MET A 4 7.079 22.716 17.483 1.00 24.21 C ATOM 45 SD MET A 4 8.405 23.891 17.833 1.00 15.23 S ATOM 46 CE MET A 4 7.522 25.449 17.726 1.00 14.21 C ATOM 0 H MET A 4 6.891 20.599 15.220 1.00 23.25 H new ATOM 0 HA MET A 4 4.652 21.849 16.603 1.00 1.40 H new ATOM 0 HB2 MET A 4 7.209 22.914 15.358 1.00 43.33 H new ATOM 0 HB3 MET A 4 5.997 23.938 16.102 1.00 43.33 H new ATOM 0 HG2 MET A 4 6.317 22.794 18.258 1.00 24.21 H new ATOM 0 HG3 MET A 4 7.477 21.702 17.528 1.00 24.21 H new ATOM 0 HE1 MET A 4 8.093 26.226 18.234 1.00 14.21 H new ATOM 0 HE2 MET A 4 7.390 25.721 16.679 1.00 14.21 H new ATOM 0 HE3 MET A 4 6.546 25.347 18.200 1.00 14.21 H new ATOM 56 N GLY A 5 4.817 21.693 13.426 1.00 73.45 N ATOM 57 CA GLY A 5 4.134 22.034 12.193 1.00 32.25 C ATOM 58 C GLY A 5 2.714 21.506 12.160 1.00 32.11 C ATOM 59 O GLY A 5 2.416 20.539 11.451 1.00 31.14 O ATOM 0 H GLY A 5 5.465 20.909 13.353 1.00 73.45 H new ATOM 0 HA2 GLY A 5 4.120 23.118 12.075 1.00 32.25 H new ATOM 0 HA3 GLY A 5 4.690 21.629 11.348 1.00 32.25 H new ATOM 63 N LYS A 6 1.843 22.139 12.930 1.00 50.52 N ATOM 64 CA LYS A 6 0.447 21.740 13.025 1.00 71.20 C ATOM 65 C LYS A 6 -0.313 22.115 11.757 1.00 62.02 C ATOM 66 O LYS A 6 -0.041 23.150 11.139 1.00 51.44 O ATOM 67 CB LYS A 6 -0.206 22.404 14.238 1.00 41.11 C ATOM 68 CG LYS A 6 0.464 22.059 15.563 1.00 13.13 C ATOM 69 CD LYS A 6 -0.148 22.835 16.725 1.00 14.31 C ATOM 70 CE LYS A 6 0.094 24.334 16.591 1.00 1.52 C ATOM 71 NZ LYS A 6 -0.437 25.090 17.752 1.00 25.24 N ATOM 0 H LYS A 6 2.084 22.945 13.507 1.00 50.52 H new ATOM 0 HA LYS A 6 0.408 20.657 13.142 1.00 71.20 H new ATOM 0 HB2 LYS A 6 -0.187 23.485 14.103 1.00 41.11 H new ATOM 0 HB3 LYS A 6 -1.254 22.107 14.283 1.00 41.11 H new ATOM 0 HG2 LYS A 6 0.370 20.989 15.750 1.00 13.13 H new ATOM 0 HG3 LYS A 6 1.530 22.279 15.500 1.00 13.13 H new ATOM 0 HD2 LYS A 6 -1.220 22.642 16.767 1.00 14.31 H new ATOM 0 HD3 LYS A 6 0.277 22.480 17.664 1.00 14.31 H new ATOM 0 HE2 LYS A 6 1.164 24.521 16.495 1.00 1.52 H new ATOM 0 HE3 LYS A 6 -0.376 24.697 15.677 1.00 1.52 H new ATOM 0 HZ1 LYS A 6 -0.251 26.105 17.620 1.00 25.24 H new ATOM 0 HZ2 LYS A 6 -1.462 24.933 17.829 1.00 25.24 H new ATOM 0 HZ3 LYS A 6 0.030 24.763 18.622 1.00 25.24 H new ATOM 85 N GLY A 7 -1.260 21.276 11.374 1.00 2.43 N ATOM 86 CA GLY A 7 -2.032 21.528 10.177 1.00 52.52 C ATOM 87 C GLY A 7 -1.219 21.284 8.929 1.00 42.34 C ATOM 88 O GLY A 7 -1.131 22.151 8.053 1.00 22.43 O ATOM 0 H GLY A 7 -1.509 20.422 11.872 1.00 2.43 H new ATOM 0 HA2 GLY A 7 -2.913 20.886 10.169 1.00 52.52 H new ATOM 0 HA3 GLY A 7 -2.389 22.558 10.184 1.00 52.52 H new ATOM 92 N ASP A 8 -0.621 20.106 8.850 1.00 15.44 N ATOM 93 CA ASP A 8 0.220 19.745 7.720 1.00 42.11 C ATOM 94 C ASP A 8 -0.622 19.464 6.469 1.00 61.42 C ATOM 95 O ASP A 8 -1.707 18.879 6.555 1.00 64.10 O ATOM 96 CB ASP A 8 1.120 18.535 8.066 1.00 11.03 C ATOM 97 CG ASP A 8 0.357 17.241 8.298 1.00 12.43 C ATOM 98 OD1 ASP A 8 -0.367 17.137 9.311 1.00 2.54 O ATOM 99 OD2 ASP A 8 0.488 16.314 7.472 1.00 64.12 O ATOM 0 H ASP A 8 -0.704 19.379 9.561 1.00 15.44 H new ATOM 0 HA ASP A 8 0.867 20.595 7.501 1.00 42.11 H new ATOM 0 HB2 ASP A 8 1.834 18.383 7.256 1.00 11.03 H new ATOM 0 HB3 ASP A 8 1.697 18.769 8.960 1.00 11.03 H new ATOM 104 N PRO A 9 -0.136 19.906 5.290 1.00 72.23 N ATOM 105 CA PRO A 9 -0.840 19.718 4.008 1.00 14.24 C ATOM 106 C PRO A 9 -1.040 18.247 3.653 1.00 70.13 C ATOM 107 O PRO A 9 -0.311 17.377 4.133 1.00 15.32 O ATOM 108 CB PRO A 9 0.097 20.375 2.980 1.00 53.41 C ATOM 109 CG PRO A 9 0.975 21.277 3.772 1.00 42.33 C ATOM 110 CD PRO A 9 1.132 20.634 5.115 1.00 42.42 C ATOM 0 HA PRO A 9 -1.842 20.147 4.041 1.00 14.24 H new ATOM 0 HB2 PRO A 9 0.682 19.626 2.445 1.00 53.41 H new ATOM 0 HB3 PRO A 9 -0.468 20.932 2.232 1.00 53.41 H new ATOM 0 HG2 PRO A 9 1.942 21.404 3.286 1.00 42.33 H new ATOM 0 HG3 PRO A 9 0.532 22.269 3.865 1.00 42.33 H new ATOM 0 HD2 PRO A 9 1.989 19.961 5.142 1.00 42.42 H new ATOM 0 HD3 PRO A 9 1.283 21.374 5.901 1.00 42.42 H new ATOM 118 N LYS A 10 -2.024 17.976 2.806 1.00 61.52 N ATOM 119 CA LYS A 10 -2.301 16.618 2.369 1.00 34.31 C ATOM 120 C LYS A 10 -1.340 16.211 1.267 1.00 44.54 C ATOM 121 O LYS A 10 -1.612 16.399 0.075 1.00 14.02 O ATOM 122 CB LYS A 10 -3.755 16.467 1.898 1.00 12.35 C ATOM 123 CG LYS A 10 -4.785 16.499 3.026 1.00 20.02 C ATOM 124 CD LYS A 10 -4.626 15.312 3.979 1.00 63.20 C ATOM 125 CE LYS A 10 -4.898 13.975 3.286 1.00 15.12 C ATOM 126 NZ LYS A 10 -6.304 13.860 2.822 1.00 63.43 N ATOM 0 H LYS A 10 -2.644 18.682 2.408 1.00 61.52 H new ATOM 0 HA LYS A 10 -2.158 15.956 3.223 1.00 34.31 H new ATOM 0 HB2 LYS A 10 -3.981 17.266 1.192 1.00 12.35 H new ATOM 0 HB3 LYS A 10 -3.854 15.526 1.357 1.00 12.35 H new ATOM 0 HG2 LYS A 10 -4.682 17.429 3.585 1.00 20.02 H new ATOM 0 HG3 LYS A 10 -5.789 16.491 2.601 1.00 20.02 H new ATOM 0 HD2 LYS A 10 -3.615 15.309 4.387 1.00 63.20 H new ATOM 0 HD3 LYS A 10 -5.309 15.429 4.820 1.00 63.20 H new ATOM 0 HE2 LYS A 10 -4.226 13.866 2.435 1.00 15.12 H new ATOM 0 HE3 LYS A 10 -4.676 13.159 3.974 1.00 15.12 H new ATOM 0 HZ1 LYS A 10 -6.489 12.884 2.514 1.00 63.43 H new ATOM 0 HZ2 LYS A 10 -6.948 14.105 3.601 1.00 63.43 H new ATOM 0 HZ3 LYS A 10 -6.461 14.510 2.026 1.00 63.43 H new ATOM 140 N LYS A 11 -0.212 15.683 1.668 1.00 63.24 N ATOM 141 CA LYS A 11 0.808 15.263 0.741 1.00 11.32 C ATOM 142 C LYS A 11 0.927 13.752 0.741 1.00 1.23 C ATOM 143 O LYS A 11 1.114 13.143 1.797 1.00 62.45 O ATOM 144 CB LYS A 11 2.155 15.871 1.132 1.00 4.31 C ATOM 145 CG LYS A 11 3.296 15.508 0.187 1.00 62.21 C ATOM 146 CD LYS A 11 4.653 15.794 0.811 1.00 44.11 C ATOM 147 CE LYS A 11 4.780 17.244 1.240 1.00 35.33 C ATOM 148 NZ LYS A 11 6.051 17.497 1.958 1.00 74.42 N ATOM 0 H LYS A 11 0.026 15.532 2.648 1.00 63.24 H new ATOM 0 HA LYS A 11 0.529 15.604 -0.256 1.00 11.32 H new ATOM 0 HB2 LYS A 11 2.056 16.956 1.166 1.00 4.31 H new ATOM 0 HB3 LYS A 11 2.412 15.542 2.139 1.00 4.31 H new ATOM 0 HG2 LYS A 11 3.231 14.452 -0.074 1.00 62.21 H new ATOM 0 HG3 LYS A 11 3.195 16.073 -0.740 1.00 62.21 H new ATOM 0 HD2 LYS A 11 4.800 15.145 1.674 1.00 44.11 H new ATOM 0 HD3 LYS A 11 5.440 15.556 0.095 1.00 44.11 H new ATOM 0 HE2 LYS A 11 4.724 17.889 0.363 1.00 35.33 H new ATOM 0 HE3 LYS A 11 3.941 17.507 1.884 1.00 35.33 H new ATOM 0 HZ1 LYS A 11 6.100 18.498 2.234 1.00 74.42 H new ATOM 0 HZ2 LYS A 11 6.094 16.900 2.809 1.00 74.42 H new ATOM 0 HZ3 LYS A 11 6.853 17.270 1.335 1.00 74.42 H new ATOM 162 N PRO A 12 0.777 13.115 -0.426 1.00 55.53 N ATOM 163 CA PRO A 12 0.981 11.680 -0.547 1.00 42.21 C ATOM 164 C PRO A 12 2.417 11.326 -0.195 1.00 22.34 C ATOM 165 O PRO A 12 3.361 11.769 -0.860 1.00 63.23 O ATOM 166 CB PRO A 12 0.711 11.398 -2.030 1.00 2.35 C ATOM 167 CG PRO A 12 -0.098 12.555 -2.497 1.00 62.03 C ATOM 168 CD PRO A 12 0.375 13.728 -1.696 1.00 61.43 C ATOM 0 HA PRO A 12 0.341 11.099 0.118 1.00 42.21 H new ATOM 0 HB2 PRO A 12 1.641 11.313 -2.592 1.00 2.35 H new ATOM 0 HB3 PRO A 12 0.172 10.460 -2.162 1.00 2.35 H new ATOM 0 HG2 PRO A 12 0.043 12.727 -3.564 1.00 62.03 H new ATOM 0 HG3 PRO A 12 -1.162 12.377 -2.341 1.00 62.03 H new ATOM 0 HD2 PRO A 12 1.208 14.239 -2.180 1.00 61.43 H new ATOM 0 HD3 PRO A 12 -0.414 14.467 -1.556 1.00 61.43 H new ATOM 176 N ARG A 13 2.580 10.531 0.836 1.00 55.51 N ATOM 177 CA ARG A 13 3.897 10.174 1.315 1.00 10.03 C ATOM 178 C ARG A 13 4.445 8.966 0.583 1.00 74.33 C ATOM 179 O ARG A 13 5.644 8.684 0.642 1.00 51.33 O ATOM 180 CB ARG A 13 3.882 9.953 2.834 1.00 41.25 C ATOM 181 CG ARG A 13 2.768 9.042 3.325 1.00 14.34 C ATOM 182 CD ARG A 13 2.753 8.965 4.842 1.00 71.13 C ATOM 183 NE ARG A 13 1.622 8.183 5.344 1.00 32.20 N ATOM 184 CZ ARG A 13 1.423 7.887 6.632 1.00 32.54 C ATOM 185 NH1 ARG A 13 2.280 8.311 7.557 1.00 21.22 N ATOM 186 NH2 ARG A 13 0.362 7.178 6.997 1.00 4.34 N ATOM 0 H ARG A 13 1.812 10.116 1.363 1.00 55.51 H new ATOM 0 HA ARG A 13 4.567 11.007 1.105 1.00 10.03 H new ATOM 0 HB2 ARG A 13 4.840 9.531 3.137 1.00 41.25 H new ATOM 0 HB3 ARG A 13 3.789 10.920 3.329 1.00 41.25 H new ATOM 0 HG2 ARG A 13 1.807 9.412 2.967 1.00 14.34 H new ATOM 0 HG3 ARG A 13 2.900 8.043 2.908 1.00 14.34 H new ATOM 0 HD2 ARG A 13 3.684 8.519 5.191 1.00 71.13 H new ATOM 0 HD3 ARG A 13 2.708 9.973 5.255 1.00 71.13 H new ATOM 0 HE ARG A 13 0.941 7.841 4.666 1.00 32.20 H new ATOM 0 HH11 ARG A 13 3.092 8.864 7.284 1.00 21.22 H new ATOM 0 HH12 ARG A 13 2.125 8.083 8.539 1.00 21.22 H new ATOM 0 HH21 ARG A 13 -0.304 6.858 6.294 1.00 4.34 H new ATOM 0 HH22 ARG A 13 0.212 6.953 7.981 1.00 4.34 H new ATOM 200 N GLY A 14 3.573 8.245 -0.096 1.00 72.54 N ATOM 201 CA GLY A 14 4.034 7.125 -0.866 1.00 54.24 C ATOM 202 C GLY A 14 2.943 6.202 -1.351 1.00 51.44 C ATOM 203 O GLY A 14 2.017 5.863 -0.601 1.00 52.11 O ATOM 0 H GLY A 14 2.568 8.415 -0.126 1.00 72.54 H new ATOM 0 HA2 GLY A 14 4.587 7.497 -1.729 1.00 54.24 H new ATOM 0 HA3 GLY A 14 4.736 6.550 -0.262 1.00 54.24 H new ATOM 207 N LYS A 15 3.048 5.811 -2.620 1.00 44.40 N ATOM 208 CA LYS A 15 2.181 4.790 -3.201 1.00 1.05 C ATOM 209 C LYS A 15 2.595 3.459 -2.581 1.00 32.30 C ATOM 210 O LYS A 15 3.626 3.411 -1.905 1.00 74.31 O ATOM 211 CB LYS A 15 2.348 4.782 -4.731 1.00 5.12 C ATOM 212 CG LYS A 15 3.786 4.563 -5.207 1.00 40.11 C ATOM 213 CD LYS A 15 4.068 3.098 -5.461 1.00 55.41 C ATOM 214 CE LYS A 15 5.527 2.849 -5.777 1.00 64.32 C ATOM 215 NZ LYS A 15 5.789 1.410 -6.018 1.00 22.12 N ATOM 0 H LYS A 15 3.734 6.192 -3.271 1.00 44.40 H new ATOM 0 HA LYS A 15 1.128 4.983 -2.996 1.00 1.05 H new ATOM 0 HB2 LYS A 15 1.716 3.999 -5.150 1.00 5.12 H new ATOM 0 HB3 LYS A 15 1.986 5.730 -5.129 1.00 5.12 H new ATOM 0 HG2 LYS A 15 3.959 5.132 -6.121 1.00 40.11 H new ATOM 0 HG3 LYS A 15 4.480 4.944 -4.458 1.00 40.11 H new ATOM 0 HD2 LYS A 15 3.782 2.516 -4.585 1.00 55.41 H new ATOM 0 HD3 LYS A 15 3.453 2.749 -6.290 1.00 55.41 H new ATOM 0 HE2 LYS A 15 5.814 3.425 -6.657 1.00 64.32 H new ATOM 0 HE3 LYS A 15 6.145 3.200 -4.951 1.00 64.32 H new ATOM 0 HZ1 LYS A 15 6.790 1.276 -6.265 1.00 22.12 H new ATOM 0 HZ2 LYS A 15 5.569 0.868 -5.158 1.00 22.12 H new ATOM 0 HZ3 LYS A 15 5.192 1.075 -6.800 1.00 22.12 H new ATOM 229 N MET A 16 1.844 2.363 -2.757 1.00 1.41 N ATOM 230 CA MET A 16 2.151 1.099 -2.110 1.00 30.12 C ATOM 231 C MET A 16 3.334 0.398 -2.785 1.00 12.31 C ATOM 232 O MET A 16 3.568 0.549 -3.985 1.00 63.33 O ATOM 233 CB MET A 16 0.911 0.197 -2.147 1.00 24.32 C ATOM 234 CG MET A 16 -0.340 0.852 -1.572 1.00 73.33 C ATOM 235 SD MET A 16 -1.844 -0.120 -1.840 1.00 63.44 S ATOM 236 CE MET A 16 -1.494 -1.581 -0.864 1.00 51.14 C ATOM 0 H MET A 16 1.014 2.337 -3.349 1.00 1.41 H new ATOM 0 HA MET A 16 2.432 1.299 -1.076 1.00 30.12 H new ATOM 0 HB2 MET A 16 0.716 -0.095 -3.179 1.00 24.32 H new ATOM 0 HB3 MET A 16 1.120 -0.717 -1.591 1.00 24.32 H new ATOM 0 HG2 MET A 16 -0.202 1.007 -0.502 1.00 73.33 H new ATOM 0 HG3 MET A 16 -0.466 1.836 -2.023 1.00 73.33 H new ATOM 0 HE1 MET A 16 -2.422 -2.117 -0.666 1.00 51.14 H new ATOM 0 HE2 MET A 16 -0.810 -2.229 -1.412 1.00 51.14 H new ATOM 0 HE3 MET A 16 -1.036 -1.287 0.080 1.00 51.14 H new ATOM 246 N SER A 17 4.067 -0.377 -2.005 1.00 61.11 N ATOM 247 CA SER A 17 5.246 -1.065 -2.497 1.00 62.10 C ATOM 248 C SER A 17 4.896 -2.476 -2.979 1.00 51.13 C ATOM 249 O SER A 17 3.719 -2.835 -3.058 1.00 43.00 O ATOM 250 CB SER A 17 6.290 -1.125 -1.391 1.00 4.45 C ATOM 251 OG SER A 17 6.487 0.158 -0.817 1.00 11.21 O ATOM 0 H SER A 17 3.863 -0.546 -1.020 1.00 61.11 H new ATOM 0 HA SER A 17 5.648 -0.514 -3.347 1.00 62.10 H new ATOM 0 HB2 SER A 17 5.972 -1.828 -0.621 1.00 4.45 H new ATOM 0 HB3 SER A 17 7.232 -1.498 -1.793 1.00 4.45 H new ATOM 0 HG SER A 17 7.160 0.099 -0.107 1.00 11.21 H new ATOM 257 N SER A 18 5.912 -3.280 -3.267 1.00 74.25 N ATOM 258 CA SER A 18 5.709 -4.627 -3.764 1.00 42.32 C ATOM 259 C SER A 18 5.089 -5.528 -2.700 1.00 64.50 C ATOM 260 O SER A 18 4.107 -6.218 -2.968 1.00 44.02 O ATOM 261 CB SER A 18 7.023 -5.201 -4.284 1.00 35.31 C ATOM 262 OG SER A 18 8.073 -4.996 -3.352 1.00 43.22 O ATOM 0 H SER A 18 6.892 -3.015 -3.162 1.00 74.25 H new ATOM 0 HA SER A 18 5.003 -4.582 -4.593 1.00 42.32 H new ATOM 0 HB2 SER A 18 6.907 -6.267 -4.477 1.00 35.31 H new ATOM 0 HB3 SER A 18 7.278 -4.731 -5.234 1.00 35.31 H new ATOM 0 HG SER A 18 8.308 -5.849 -2.931 1.00 43.22 H new ATOM 268 N TYR A 19 5.669 -5.527 -1.496 1.00 44.44 N ATOM 269 CA TYR A 19 5.124 -6.286 -0.367 1.00 22.53 C ATOM 270 C TYR A 19 3.656 -5.942 -0.139 1.00 14.23 C ATOM 271 O TYR A 19 2.834 -6.817 0.128 1.00 53.35 O ATOM 272 CB TYR A 19 5.947 -5.986 0.896 1.00 4.13 C ATOM 273 CG TYR A 19 5.357 -6.515 2.186 1.00 11.35 C ATOM 274 CD1 TYR A 19 5.330 -7.874 2.459 1.00 25.15 C ATOM 275 CD2 TYR A 19 4.838 -5.644 3.139 1.00 32.34 C ATOM 276 CE1 TYR A 19 4.803 -8.351 3.642 1.00 11.30 C ATOM 277 CE2 TYR A 19 4.309 -6.114 4.325 1.00 64.43 C ATOM 278 CZ TYR A 19 4.294 -7.467 4.572 1.00 53.12 C ATOM 279 OH TYR A 19 3.775 -7.945 5.755 1.00 43.44 O ATOM 0 H TYR A 19 6.519 -5.007 -1.278 1.00 44.44 H new ATOM 0 HA TYR A 19 5.187 -7.350 -0.595 1.00 22.53 H new ATOM 0 HB2 TYR A 19 6.944 -6.408 0.770 1.00 4.13 H new ATOM 0 HB3 TYR A 19 6.067 -4.906 0.985 1.00 4.13 H new ATOM 0 HD1 TYR A 19 5.727 -8.570 1.735 1.00 25.15 H new ATOM 0 HD2 TYR A 19 4.849 -4.581 2.948 1.00 32.34 H new ATOM 0 HE1 TYR A 19 4.789 -9.413 3.840 1.00 11.30 H new ATOM 0 HE2 TYR A 19 3.910 -5.424 5.054 1.00 64.43 H new ATOM 0 HH TYR A 19 3.332 -8.804 5.594 1.00 43.44 H new ATOM 289 N ALA A 20 3.337 -4.665 -0.265 1.00 42.33 N ATOM 290 CA ALA A 20 1.975 -4.189 -0.096 1.00 14.14 C ATOM 291 C ALA A 20 1.038 -4.837 -1.116 1.00 63.14 C ATOM 292 O ALA A 20 -0.072 -5.250 -0.780 1.00 72.44 O ATOM 293 CB ALA A 20 1.932 -2.679 -0.203 1.00 30.04 C ATOM 0 H ALA A 20 4.011 -3.932 -0.486 1.00 42.33 H new ATOM 0 HA ALA A 20 1.630 -4.475 0.898 1.00 14.14 H new ATOM 0 HB1 ALA A 20 0.906 -2.334 -0.075 1.00 30.04 H new ATOM 0 HB2 ALA A 20 2.561 -2.241 0.572 1.00 30.04 H new ATOM 0 HB3 ALA A 20 2.298 -2.373 -1.183 1.00 30.04 H new ATOM 299 N PHE A 21 1.494 -4.927 -2.362 1.00 25.34 N ATOM 300 CA PHE A 21 0.716 -5.575 -3.413 1.00 25.22 C ATOM 301 C PHE A 21 0.671 -7.084 -3.210 1.00 73.11 C ATOM 302 O PHE A 21 -0.278 -7.750 -3.625 1.00 52.11 O ATOM 303 CB PHE A 21 1.263 -5.232 -4.798 1.00 54.15 C ATOM 304 CG PHE A 21 0.721 -3.946 -5.349 1.00 73.13 C ATOM 305 CD1 PHE A 21 1.255 -2.730 -4.968 1.00 61.23 C ATOM 306 CD2 PHE A 21 -0.333 -3.959 -6.245 1.00 31.23 C ATOM 307 CE1 PHE A 21 0.750 -1.550 -5.471 1.00 32.53 C ATOM 308 CE2 PHE A 21 -0.845 -2.783 -6.752 1.00 12.40 C ATOM 309 CZ PHE A 21 -0.302 -1.576 -6.366 1.00 44.31 C ATOM 0 H PHE A 21 2.395 -4.561 -2.668 1.00 25.34 H new ATOM 0 HA PHE A 21 -0.303 -5.194 -3.350 1.00 25.22 H new ATOM 0 HB2 PHE A 21 2.350 -5.167 -4.746 1.00 54.15 H new ATOM 0 HB3 PHE A 21 1.025 -6.043 -5.486 1.00 54.15 H new ATOM 0 HD1 PHE A 21 2.077 -2.704 -4.268 1.00 61.23 H new ATOM 0 HD2 PHE A 21 -0.760 -4.902 -6.551 1.00 31.23 H new ATOM 0 HE1 PHE A 21 1.176 -0.606 -5.166 1.00 32.53 H new ATOM 0 HE2 PHE A 21 -1.669 -2.808 -7.450 1.00 12.40 H new ATOM 0 HZ PHE A 21 -0.698 -0.653 -6.762 1.00 44.31 H new ATOM 319 N PHE A 22 1.690 -7.621 -2.573 1.00 75.43 N ATOM 320 CA PHE A 22 1.721 -9.036 -2.276 1.00 52.52 C ATOM 321 C PHE A 22 0.671 -9.377 -1.227 1.00 41.14 C ATOM 322 O PHE A 22 -0.100 -10.319 -1.398 1.00 63.15 O ATOM 323 CB PHE A 22 3.108 -9.472 -1.802 1.00 33.33 C ATOM 324 CG PHE A 22 3.142 -10.883 -1.285 1.00 15.32 C ATOM 325 CD1 PHE A 22 2.823 -11.946 -2.112 1.00 20.21 C ATOM 326 CD2 PHE A 22 3.478 -11.143 0.031 1.00 45.32 C ATOM 327 CE1 PHE A 22 2.840 -13.241 -1.638 1.00 3.13 C ATOM 328 CE2 PHE A 22 3.496 -12.436 0.510 1.00 22.22 C ATOM 329 CZ PHE A 22 3.178 -13.486 -0.325 1.00 41.32 C ATOM 0 H PHE A 22 2.506 -7.100 -2.252 1.00 75.43 H new ATOM 0 HA PHE A 22 1.494 -9.579 -3.194 1.00 52.52 H new ATOM 0 HB2 PHE A 22 3.813 -9.378 -2.628 1.00 33.33 H new ATOM 0 HB3 PHE A 22 3.445 -8.796 -1.016 1.00 33.33 H new ATOM 0 HD1 PHE A 22 2.557 -11.759 -3.142 1.00 20.21 H new ATOM 0 HD2 PHE A 22 3.729 -10.325 0.690 1.00 45.32 H new ATOM 0 HE1 PHE A 22 2.589 -14.061 -2.294 1.00 3.13 H new ATOM 0 HE2 PHE A 22 3.759 -12.626 1.540 1.00 22.22 H new ATOM 0 HZ PHE A 22 3.194 -14.499 0.050 1.00 41.32 H new ATOM 339 N VAL A 23 0.640 -8.600 -0.152 1.00 62.32 N ATOM 340 CA VAL A 23 -0.318 -8.811 0.933 1.00 3.24 C ATOM 341 C VAL A 23 -1.762 -8.670 0.445 1.00 25.12 C ATOM 342 O VAL A 23 -2.652 -9.364 0.924 1.00 31.33 O ATOM 343 CB VAL A 23 -0.069 -7.833 2.114 1.00 40.01 C ATOM 344 CG1 VAL A 23 -1.082 -8.052 3.234 1.00 44.43 C ATOM 345 CG2 VAL A 23 1.341 -7.996 2.647 1.00 32.12 C ATOM 0 H VAL A 23 1.271 -7.812 -0.005 1.00 62.32 H new ATOM 0 HA VAL A 23 -0.167 -9.831 1.287 1.00 3.24 H new ATOM 0 HB VAL A 23 -0.191 -6.817 1.739 1.00 40.01 H new ATOM 0 HG11 VAL A 23 -0.883 -7.353 4.047 1.00 44.43 H new ATOM 0 HG12 VAL A 23 -2.089 -7.886 2.851 1.00 44.43 H new ATOM 0 HG13 VAL A 23 -0.999 -9.073 3.605 1.00 44.43 H new ATOM 0 HG21 VAL A 23 1.500 -7.304 3.474 1.00 32.12 H new ATOM 0 HG22 VAL A 23 1.482 -9.018 2.998 1.00 32.12 H new ATOM 0 HG23 VAL A 23 2.057 -7.783 1.853 1.00 32.12 H new ATOM 355 N GLN A 24 -1.975 -7.830 -0.560 1.00 63.50 N ATOM 356 CA GLN A 24 -3.338 -7.601 -1.034 1.00 72.30 C ATOM 357 C GLN A 24 -3.765 -8.762 -1.923 1.00 53.03 C ATOM 358 O GLN A 24 -4.952 -9.010 -2.127 1.00 25.41 O ATOM 359 CB GLN A 24 -3.467 -6.270 -1.781 1.00 30.40 C ATOM 360 CG GLN A 24 -2.885 -6.277 -3.178 1.00 41.14 C ATOM 361 CD GLN A 24 -3.080 -4.961 -3.896 1.00 51.00 C ATOM 362 OE1 GLN A 24 -3.080 -3.871 -3.152 1.00 5.25 O flip ATOM 363 NE2 GLN A 24 -3.225 -4.928 -5.115 1.00 1.14 N flip ATOM 0 H GLN A 24 -1.248 -7.309 -1.051 1.00 63.50 H new ATOM 0 HA GLN A 24 -3.997 -7.543 -0.168 1.00 72.30 H new ATOM 0 HB2 GLN A 24 -4.522 -6.002 -1.842 1.00 30.40 H new ATOM 0 HB3 GLN A 24 -2.974 -5.492 -1.199 1.00 30.40 H new ATOM 0 HG2 GLN A 24 -1.820 -6.502 -3.123 1.00 41.14 H new ATOM 0 HG3 GLN A 24 -3.350 -7.075 -3.757 1.00 41.14 H new ATOM 0 HE21 GLN A 24 -3.219 -5.795 -5.653 1.00 1.14 H new ATOM 0 HE22 GLN A 24 -3.352 -4.034 -5.590 1.00 1.14 H new ATOM 372 N THR A 25 -2.778 -9.477 -2.429 1.00 52.03 N ATOM 373 CA THR A 25 -3.014 -10.640 -3.241 1.00 21.45 C ATOM 374 C THR A 25 -3.153 -11.862 -2.337 1.00 22.14 C ATOM 375 O THR A 25 -4.178 -12.520 -2.337 1.00 52.41 O ATOM 376 CB THR A 25 -1.862 -10.853 -4.248 1.00 44.23 C ATOM 377 OG1 THR A 25 -1.661 -9.650 -5.009 1.00 13.45 O ATOM 378 CG2 THR A 25 -2.174 -12.002 -5.197 1.00 34.23 C ATOM 0 H THR A 25 -1.792 -9.262 -2.284 1.00 52.03 H new ATOM 0 HA THR A 25 -3.933 -10.494 -3.808 1.00 21.45 H new ATOM 0 HB THR A 25 -0.958 -11.098 -3.690 1.00 44.23 H new ATOM 0 HG1 THR A 25 -1.177 -8.995 -4.464 1.00 13.45 H new ATOM 0 HG21 THR A 25 -1.348 -12.131 -5.896 1.00 34.23 H new ATOM 0 HG22 THR A 25 -2.312 -12.919 -4.625 1.00 34.23 H new ATOM 0 HG23 THR A 25 -3.086 -11.779 -5.751 1.00 34.23 H new ATOM 386 N CYS A 26 -2.078 -12.181 -1.624 1.00 11.23 N ATOM 387 CA CYS A 26 -2.051 -13.246 -0.602 1.00 31.15 C ATOM 388 C CYS A 26 -3.386 -13.340 0.185 1.00 2.32 C ATOM 389 O CYS A 26 -3.941 -14.432 0.353 1.00 40.32 O ATOM 390 CB CYS A 26 -0.874 -12.968 0.357 1.00 34.22 C ATOM 391 SG CYS A 26 -0.578 -14.229 1.640 1.00 31.24 S ATOM 0 H CYS A 26 -1.182 -11.705 -1.734 1.00 11.23 H new ATOM 0 HA CYS A 26 -1.919 -14.207 -1.100 1.00 31.15 H new ATOM 0 HB2 CYS A 26 0.035 -12.860 -0.235 1.00 34.22 H new ATOM 0 HB3 CYS A 26 -1.049 -12.011 0.849 1.00 34.22 H new ATOM 396 N ARG A 27 -3.891 -12.196 0.662 1.00 61.22 N ATOM 397 CA ARG A 27 -5.176 -12.158 1.376 1.00 23.33 C ATOM 398 C ARG A 27 -6.330 -12.627 0.481 1.00 64.42 C ATOM 399 O ARG A 27 -7.195 -13.392 0.916 1.00 52.21 O ATOM 400 CB ARG A 27 -5.471 -10.744 1.885 1.00 35.35 C ATOM 401 CG ARG A 27 -4.564 -10.282 3.009 1.00 33.40 C ATOM 402 CD ARG A 27 -4.853 -8.839 3.394 1.00 25.10 C ATOM 403 NE ARG A 27 -6.227 -8.661 3.877 1.00 10.44 N ATOM 404 CZ ARG A 27 -6.935 -7.535 3.735 1.00 72.43 C ATOM 405 NH1 ARG A 27 -6.404 -6.483 3.128 1.00 34.21 N ATOM 406 NH2 ARG A 27 -8.177 -7.464 4.200 1.00 72.44 N ATOM 0 H ARG A 27 -3.434 -11.289 0.568 1.00 61.22 H new ATOM 0 HA ARG A 27 -5.094 -12.839 2.223 1.00 23.33 H new ATOM 0 HB2 ARG A 27 -5.383 -10.046 1.053 1.00 35.35 H new ATOM 0 HB3 ARG A 27 -6.505 -10.703 2.228 1.00 35.35 H new ATOM 0 HG2 ARG A 27 -4.700 -10.927 3.877 1.00 33.40 H new ATOM 0 HG3 ARG A 27 -3.523 -10.377 2.701 1.00 33.40 H new ATOM 0 HD2 ARG A 27 -4.153 -8.524 4.168 1.00 25.10 H new ATOM 0 HD3 ARG A 27 -4.686 -8.194 2.532 1.00 25.10 H new ATOM 0 HE ARG A 27 -6.671 -9.447 4.352 1.00 10.44 H new ATOM 0 HH11 ARG A 27 -5.451 -6.530 2.767 1.00 34.21 H new ATOM 0 HH12 ARG A 27 -6.948 -5.627 3.022 1.00 34.21 H new ATOM 0 HH21 ARG A 27 -8.594 -8.269 4.667 1.00 72.44 H new ATOM 0 HH22 ARG A 27 -8.714 -6.604 4.090 1.00 72.44 H new ATOM 420 N GLU A 28 -6.320 -12.177 -0.764 1.00 4.25 N ATOM 421 CA GLU A 28 -7.368 -12.502 -1.726 1.00 42.20 C ATOM 422 C GLU A 28 -7.452 -14.004 -1.986 1.00 52.24 C ATOM 423 O GLU A 28 -8.544 -14.549 -2.130 1.00 33.33 O ATOM 424 CB GLU A 28 -7.135 -11.763 -3.047 1.00 51.33 C ATOM 425 CG GLU A 28 -8.189 -12.045 -4.105 1.00 21.03 C ATOM 426 CD GLU A 28 -9.546 -11.490 -3.741 1.00 54.14 C ATOM 427 OE1 GLU A 28 -10.223 -12.070 -2.879 1.00 22.25 O ATOM 428 OE2 GLU A 28 -9.941 -10.453 -4.323 1.00 14.24 O ATOM 0 H GLU A 28 -5.586 -11.576 -1.139 1.00 4.25 H new ATOM 0 HA GLU A 28 -8.314 -12.179 -1.292 1.00 42.20 H new ATOM 0 HB2 GLU A 28 -7.108 -10.691 -2.852 1.00 51.33 H new ATOM 0 HB3 GLU A 28 -6.157 -12.041 -3.440 1.00 51.33 H new ATOM 0 HG2 GLU A 28 -7.869 -11.616 -5.054 1.00 21.03 H new ATOM 0 HG3 GLU A 28 -8.270 -13.122 -4.253 1.00 21.03 H new ATOM 435 N GLU A 29 -6.298 -14.677 -2.032 1.00 54.03 N ATOM 436 CA GLU A 29 -6.256 -16.114 -2.297 1.00 75.00 C ATOM 437 C GLU A 29 -7.112 -16.860 -1.285 1.00 5.13 C ATOM 438 O GLU A 29 -7.895 -17.740 -1.638 1.00 11.12 O ATOM 439 CB GLU A 29 -4.819 -16.630 -2.209 1.00 35.40 C ATOM 440 CG GLU A 29 -3.835 -15.929 -3.130 1.00 64.24 C ATOM 441 CD GLU A 29 -2.407 -16.346 -2.853 1.00 65.13 C ATOM 442 OE1 GLU A 29 -1.894 -16.016 -1.774 1.00 42.11 O ATOM 443 OE2 GLU A 29 -1.788 -17.010 -3.714 1.00 74.14 O ATOM 0 H GLU A 29 -5.383 -14.249 -1.889 1.00 54.03 H new ATOM 0 HA GLU A 29 -6.643 -16.286 -3.301 1.00 75.00 H new ATOM 0 HB2 GLU A 29 -4.472 -16.525 -1.181 1.00 35.40 H new ATOM 0 HB3 GLU A 29 -4.815 -17.695 -2.439 1.00 35.40 H new ATOM 0 HG2 GLU A 29 -4.084 -16.155 -4.167 1.00 64.24 H new ATOM 0 HG3 GLU A 29 -3.928 -14.850 -3.007 1.00 64.24 H new ATOM 450 N HIS A 30 -6.974 -16.478 -0.027 1.00 65.31 N ATOM 451 CA HIS A 30 -7.702 -17.120 1.047 1.00 13.23 C ATOM 452 C HIS A 30 -9.169 -16.701 1.040 1.00 41.22 C ATOM 453 O HIS A 30 -10.042 -17.483 1.398 1.00 34.45 O ATOM 454 CB HIS A 30 -7.061 -16.797 2.397 1.00 72.20 C ATOM 455 CG HIS A 30 -7.600 -17.610 3.541 1.00 44.41 C ATOM 456 ND1 HIS A 30 -6.953 -18.710 4.049 1.00 31.32 N ATOM 457 CD2 HIS A 30 -8.731 -17.473 4.276 1.00 23.24 C ATOM 458 CE1 HIS A 30 -7.657 -19.214 5.039 1.00 10.35 C ATOM 459 NE2 HIS A 30 -8.742 -18.481 5.199 1.00 64.12 N ATOM 0 H HIS A 30 -6.360 -15.721 0.274 1.00 65.31 H new ATOM 0 HA HIS A 30 -7.656 -18.197 0.889 1.00 13.23 H new ATOM 0 HB2 HIS A 30 -5.986 -16.959 2.325 1.00 72.20 H new ATOM 0 HB3 HIS A 30 -7.210 -15.739 2.615 1.00 72.20 H new ATOM 0 HD2 HIS A 30 -9.484 -16.709 4.155 1.00 23.24 H new ATOM 0 HE1 HIS A 30 -7.391 -20.083 5.623 1.00 10.35 H new ATOM 0 HE2 HIS A 30 -9.469 -18.640 5.896 1.00 64.12 H new ATOM 468 N LYS A 31 -9.437 -15.463 0.632 1.00 41.45 N ATOM 469 CA LYS A 31 -10.808 -14.955 0.576 1.00 51.32 C ATOM 470 C LYS A 31 -11.562 -15.664 -0.543 1.00 65.13 C ATOM 471 O LYS A 31 -12.748 -15.953 -0.432 1.00 20.45 O ATOM 472 CB LYS A 31 -10.787 -13.432 0.331 1.00 53.13 C ATOM 473 CG LYS A 31 -11.975 -12.665 0.920 1.00 4.14 C ATOM 474 CD LYS A 31 -13.294 -12.923 0.182 1.00 31.25 C ATOM 475 CE LYS A 31 -13.391 -12.154 -1.141 1.00 21.20 C ATOM 476 NZ LYS A 31 -12.622 -12.788 -2.242 1.00 13.53 N ATOM 0 H LYS A 31 -8.726 -14.794 0.336 1.00 41.45 H new ATOM 0 HA LYS A 31 -11.313 -15.149 1.522 1.00 51.32 H new ATOM 0 HB2 LYS A 31 -9.867 -13.024 0.750 1.00 53.13 H new ATOM 0 HB3 LYS A 31 -10.755 -13.252 -0.744 1.00 53.13 H new ATOM 0 HG2 LYS A 31 -12.093 -12.942 1.967 1.00 4.14 H new ATOM 0 HG3 LYS A 31 -11.757 -11.597 0.896 1.00 4.14 H new ATOM 0 HD2 LYS A 31 -13.393 -13.991 -0.015 1.00 31.25 H new ATOM 0 HD3 LYS A 31 -14.127 -12.639 0.825 1.00 31.25 H new ATOM 0 HE2 LYS A 31 -14.438 -12.078 -1.434 1.00 21.20 H new ATOM 0 HE3 LYS A 31 -13.028 -11.137 -0.991 1.00 21.20 H new ATOM 0 HZ1 LYS A 31 -13.144 -12.683 -3.135 1.00 13.53 H new ATOM 0 HZ2 LYS A 31 -11.694 -12.327 -2.327 1.00 13.53 H new ATOM 0 HZ3 LYS A 31 -12.489 -13.799 -2.035 1.00 13.53 H new ATOM 490 N LYS A 32 -10.854 -15.921 -1.618 1.00 70.12 N ATOM 491 CA LYS A 32 -11.426 -16.628 -2.747 1.00 12.32 C ATOM 492 C LYS A 32 -11.798 -18.058 -2.339 1.00 32.33 C ATOM 493 O LYS A 32 -12.832 -18.581 -2.748 1.00 73.13 O ATOM 494 CB LYS A 32 -10.444 -16.644 -3.922 1.00 70.01 C ATOM 495 CG LYS A 32 -11.081 -17.023 -5.250 1.00 53.24 C ATOM 496 CD LYS A 32 -10.078 -16.955 -6.392 1.00 23.52 C ATOM 497 CE LYS A 32 -9.109 -18.128 -6.368 1.00 33.31 C ATOM 498 NZ LYS A 32 -9.786 -19.412 -6.686 1.00 73.20 N ATOM 0 H LYS A 32 -9.878 -15.651 -1.738 1.00 70.12 H new ATOM 0 HA LYS A 32 -12.330 -16.108 -3.064 1.00 12.32 H new ATOM 0 HB2 LYS A 32 -9.989 -15.658 -4.016 1.00 70.01 H new ATOM 0 HB3 LYS A 32 -9.640 -17.346 -3.702 1.00 70.01 H new ATOM 0 HG2 LYS A 32 -11.490 -18.031 -5.184 1.00 53.24 H new ATOM 0 HG3 LYS A 32 -11.916 -16.354 -5.458 1.00 53.24 H new ATOM 0 HD2 LYS A 32 -10.611 -16.944 -7.343 1.00 23.52 H new ATOM 0 HD3 LYS A 32 -9.519 -16.021 -6.329 1.00 23.52 H new ATOM 0 HE2 LYS A 32 -8.308 -17.952 -7.086 1.00 33.31 H new ATOM 0 HE3 LYS A 32 -8.645 -18.196 -5.384 1.00 33.31 H new ATOM 0 HZ1 LYS A 32 -9.074 -20.126 -6.942 1.00 73.20 H new ATOM 0 HZ2 LYS A 32 -10.320 -19.738 -5.855 1.00 73.20 H new ATOM 0 HZ3 LYS A 32 -10.439 -19.272 -7.484 1.00 73.20 H new ATOM 512 N LYS A 33 -10.951 -18.675 -1.517 1.00 53.33 N ATOM 513 CA LYS A 33 -11.182 -20.037 -1.039 1.00 73.54 C ATOM 514 C LYS A 33 -12.220 -20.068 0.090 1.00 24.14 C ATOM 515 O LYS A 33 -12.900 -21.072 0.291 1.00 30.12 O ATOM 516 CB LYS A 33 -9.864 -20.656 -0.552 1.00 5.44 C ATOM 517 CG LYS A 33 -8.795 -20.745 -1.630 1.00 10.21 C ATOM 518 CD LYS A 33 -7.454 -21.248 -1.087 1.00 32.33 C ATOM 519 CE LYS A 33 -7.404 -22.773 -0.952 1.00 31.41 C ATOM 520 NZ LYS A 33 -8.287 -23.289 0.126 1.00 35.53 N ATOM 0 H LYS A 33 -10.093 -18.250 -1.166 1.00 53.33 H new ATOM 0 HA LYS A 33 -11.572 -20.621 -1.873 1.00 73.54 H new ATOM 0 HB2 LYS A 33 -9.481 -20.065 0.279 1.00 5.44 H new ATOM 0 HB3 LYS A 33 -10.063 -21.656 -0.167 1.00 5.44 H new ATOM 0 HG2 LYS A 33 -9.136 -21.413 -2.421 1.00 10.21 H new ATOM 0 HG3 LYS A 33 -8.655 -19.762 -2.080 1.00 10.21 H new ATOM 0 HD2 LYS A 33 -6.653 -20.920 -1.749 1.00 32.33 H new ATOM 0 HD3 LYS A 33 -7.268 -20.795 -0.113 1.00 32.33 H new ATOM 0 HE2 LYS A 33 -7.694 -23.226 -1.900 1.00 31.41 H new ATOM 0 HE3 LYS A 33 -6.378 -23.081 -0.752 1.00 31.41 H new ATOM 0 HZ1 LYS A 33 -7.840 -24.113 0.576 1.00 35.53 H new ATOM 0 HZ2 LYS A 33 -8.437 -22.545 0.837 1.00 35.53 H new ATOM 0 HZ3 LYS A 33 -9.202 -23.570 -0.280 1.00 35.53 H new ATOM 534 N HIS A 34 -12.332 -18.971 0.826 1.00 71.04 N ATOM 535 CA HIS A 34 -13.278 -18.879 1.941 1.00 53.21 C ATOM 536 C HIS A 34 -13.988 -17.532 1.944 1.00 44.42 C ATOM 537 O HIS A 34 -13.558 -16.590 2.618 1.00 23.40 O ATOM 538 CB HIS A 34 -12.577 -19.114 3.284 1.00 35.05 C ATOM 539 CG HIS A 34 -12.268 -20.551 3.558 1.00 71.33 C ATOM 540 ND1 HIS A 34 -13.077 -21.357 4.319 1.00 15.34 N ATOM 541 CD2 HIS A 34 -11.236 -21.329 3.161 1.00 52.03 C ATOM 542 CE1 HIS A 34 -12.559 -22.565 4.382 1.00 0.02 C ATOM 543 NE2 HIS A 34 -11.444 -22.575 3.686 1.00 42.24 N ATOM 0 H HIS A 34 -11.780 -18.127 0.674 1.00 71.04 H new ATOM 0 HA HIS A 34 -14.024 -19.662 1.804 1.00 53.21 H new ATOM 0 HB2 HIS A 34 -11.649 -18.542 3.304 1.00 35.05 H new ATOM 0 HB3 HIS A 34 -13.207 -18.728 4.085 1.00 35.05 H new ATOM 0 HD2 HIS A 34 -10.403 -21.024 2.545 1.00 52.03 H new ATOM 0 HE1 HIS A 34 -12.979 -23.405 4.915 1.00 0.02 H new ATOM 0 HE2 HIS A 34 -10.833 -23.381 3.558 1.00 42.24 H new ATOM 552 N PRO A 35 -15.077 -17.422 1.170 1.00 43.43 N ATOM 553 CA PRO A 35 -15.834 -16.174 1.035 1.00 75.24 C ATOM 554 C PRO A 35 -16.685 -15.830 2.261 1.00 73.13 C ATOM 555 O PRO A 35 -16.944 -14.660 2.524 1.00 34.35 O ATOM 556 CB PRO A 35 -16.732 -16.440 -0.170 1.00 5.13 C ATOM 557 CG PRO A 35 -16.931 -17.916 -0.169 1.00 21.20 C ATOM 558 CD PRO A 35 -15.647 -18.504 0.338 1.00 22.31 C ATOM 0 HA PRO A 35 -15.165 -15.320 0.925 1.00 75.24 H new ATOM 0 HB2 PRO A 35 -17.681 -15.912 -0.082 1.00 5.13 H new ATOM 0 HB3 PRO A 35 -16.265 -16.103 -1.095 1.00 5.13 H new ATOM 0 HG2 PRO A 35 -17.768 -18.197 0.470 1.00 21.20 H new ATOM 0 HG3 PRO A 35 -17.159 -18.280 -1.171 1.00 21.20 H new ATOM 0 HD2 PRO A 35 -15.822 -19.408 0.921 1.00 22.31 H new ATOM 0 HD3 PRO A 35 -14.979 -18.776 -0.480 1.00 22.31 H new ATOM 566 N ASP A 36 -17.113 -16.837 3.012 1.00 74.31 N ATOM 567 CA ASP A 36 -17.970 -16.592 4.173 1.00 63.20 C ATOM 568 C ASP A 36 -17.173 -16.066 5.342 1.00 2.52 C ATOM 569 O ASP A 36 -17.637 -15.196 6.080 1.00 11.41 O ATOM 570 CB ASP A 36 -18.725 -17.854 4.589 1.00 54.35 C ATOM 571 CG ASP A 36 -19.815 -18.234 3.617 1.00 40.12 C ATOM 572 OD1 ASP A 36 -20.892 -17.608 3.653 1.00 23.23 O ATOM 573 OD2 ASP A 36 -19.603 -19.164 2.813 1.00 35.15 O ATOM 0 H ASP A 36 -16.887 -17.818 2.845 1.00 74.31 H new ATOM 0 HA ASP A 36 -18.697 -15.836 3.876 1.00 63.20 H new ATOM 0 HB2 ASP A 36 -18.020 -18.680 4.677 1.00 54.35 H new ATOM 0 HB3 ASP A 36 -19.162 -17.701 5.576 1.00 54.35 H new ATOM 578 N ALA A 37 -15.977 -16.591 5.510 1.00 65.13 N ATOM 579 CA ALA A 37 -15.115 -16.183 6.600 1.00 24.24 C ATOM 580 C ALA A 37 -14.714 -14.722 6.461 1.00 52.12 C ATOM 581 O ALA A 37 -15.130 -13.882 7.264 1.00 31.44 O ATOM 582 CB ALA A 37 -13.877 -17.066 6.647 1.00 44.22 C ATOM 0 H ALA A 37 -15.578 -17.306 4.901 1.00 65.13 H new ATOM 0 HA ALA A 37 -15.668 -16.296 7.533 1.00 24.24 H new ATOM 0 HB1 ALA A 37 -13.236 -16.750 7.470 1.00 44.22 H new ATOM 0 HB2 ALA A 37 -14.176 -18.104 6.797 1.00 44.22 H new ATOM 0 HB3 ALA A 37 -13.331 -16.978 5.708 1.00 44.22 H new ATOM 588 N SER A 38 -13.877 -14.462 5.444 1.00 62.12 N ATOM 589 CA SER A 38 -13.337 -13.130 5.124 1.00 3.33 C ATOM 590 C SER A 38 -11.985 -12.953 5.794 1.00 42.12 C ATOM 591 O SER A 38 -11.770 -13.402 6.928 1.00 71.14 O ATOM 592 CB SER A 38 -14.304 -11.978 5.474 1.00 11.21 C ATOM 593 OG SER A 38 -15.506 -12.066 4.711 1.00 71.30 O ATOM 0 H SER A 38 -13.549 -15.188 4.807 1.00 62.12 H new ATOM 0 HA SER A 38 -13.211 -13.079 4.043 1.00 3.33 H new ATOM 0 HB2 SER A 38 -14.542 -12.009 6.537 1.00 11.21 H new ATOM 0 HB3 SER A 38 -13.818 -11.021 5.284 1.00 11.21 H new ATOM 0 HG SER A 38 -16.102 -11.326 4.953 1.00 71.30 H new ATOM 599 N VAL A 39 -11.072 -12.328 5.090 1.00 61.25 N ATOM 600 CA VAL A 39 -9.709 -12.210 5.551 1.00 12.54 C ATOM 601 C VAL A 39 -9.488 -10.957 6.397 1.00 62.20 C ATOM 602 O VAL A 39 -10.421 -10.213 6.693 1.00 3.31 O ATOM 603 CB VAL A 39 -8.728 -12.216 4.359 1.00 3.43 C ATOM 604 CG1 VAL A 39 -8.797 -13.548 3.635 1.00 41.44 C ATOM 605 CG2 VAL A 39 -9.038 -11.074 3.400 1.00 73.13 C ATOM 0 H VAL A 39 -11.251 -11.889 4.187 1.00 61.25 H new ATOM 0 HA VAL A 39 -9.516 -13.076 6.185 1.00 12.54 H new ATOM 0 HB VAL A 39 -7.717 -12.074 4.741 1.00 3.43 H new ATOM 0 HG11 VAL A 39 -8.101 -13.542 2.796 1.00 41.44 H new ATOM 0 HG12 VAL A 39 -8.529 -14.350 4.323 1.00 41.44 H new ATOM 0 HG13 VAL A 39 -9.810 -13.709 3.266 1.00 41.44 H new ATOM 0 HG21 VAL A 39 -8.335 -11.097 2.567 1.00 73.13 H new ATOM 0 HG22 VAL A 39 -10.054 -11.183 3.020 1.00 73.13 H new ATOM 0 HG23 VAL A 39 -8.948 -10.123 3.925 1.00 73.13 H new ATOM 615 N ASN A 40 -8.242 -10.731 6.742 1.00 73.23 N ATOM 616 CA ASN A 40 -7.868 -9.591 7.565 1.00 14.41 C ATOM 617 C ASN A 40 -6.449 -9.136 7.242 1.00 33.11 C ATOM 618 O ASN A 40 -5.582 -9.951 6.939 1.00 70.23 O ATOM 619 CB ASN A 40 -8.027 -9.946 9.055 1.00 73.53 C ATOM 620 CG ASN A 40 -7.431 -8.918 9.992 1.00 74.04 C ATOM 621 OD1 ASN A 40 -6.277 -9.033 10.398 1.00 12.12 O ATOM 622 ND2 ASN A 40 -8.205 -7.910 10.335 1.00 14.31 N ATOM 0 H ASN A 40 -7.460 -11.324 6.465 1.00 73.23 H new ATOM 0 HA ASN A 40 -8.533 -8.756 7.343 1.00 14.41 H new ATOM 0 HB2 ASN A 40 -9.087 -10.059 9.281 1.00 73.53 H new ATOM 0 HB3 ASN A 40 -7.556 -10.911 9.242 1.00 73.53 H new ATOM 0 HD21 ASN A 40 -7.852 -7.186 10.961 1.00 14.31 H new ATOM 0 HD22 ASN A 40 -9.158 -7.853 9.975 1.00 14.31 H new ATOM 629 N PHE A 41 -6.228 -7.833 7.290 1.00 45.10 N ATOM 630 CA PHE A 41 -4.942 -7.240 6.927 1.00 0.33 C ATOM 631 C PHE A 41 -3.834 -7.548 7.944 1.00 43.53 C ATOM 632 O PHE A 41 -2.675 -7.664 7.575 1.00 2.03 O ATOM 633 CB PHE A 41 -5.099 -5.725 6.753 1.00 4.00 C ATOM 634 CG PHE A 41 -3.846 -5.022 6.300 1.00 62.23 C ATOM 635 CD1 PHE A 41 -3.384 -5.173 5.003 1.00 65.23 C ATOM 636 CD2 PHE A 41 -3.134 -4.213 7.171 1.00 24.41 C ATOM 637 CE1 PHE A 41 -2.235 -4.530 4.582 1.00 25.15 C ATOM 638 CE2 PHE A 41 -1.985 -3.569 6.756 1.00 34.34 C ATOM 639 CZ PHE A 41 -1.535 -3.727 5.461 1.00 62.15 C ATOM 0 H PHE A 41 -6.931 -7.153 7.581 1.00 45.10 H new ATOM 0 HA PHE A 41 -4.634 -7.692 5.984 1.00 0.33 H new ATOM 0 HB2 PHE A 41 -5.891 -5.534 6.029 1.00 4.00 H new ATOM 0 HB3 PHE A 41 -5.422 -5.293 7.700 1.00 4.00 H new ATOM 0 HD1 PHE A 41 -3.928 -5.801 4.312 1.00 65.23 H new ATOM 0 HD2 PHE A 41 -3.481 -4.085 8.186 1.00 24.41 H new ATOM 0 HE1 PHE A 41 -1.885 -4.655 3.568 1.00 25.15 H new ATOM 0 HE2 PHE A 41 -1.439 -2.942 7.445 1.00 34.34 H new ATOM 0 HZ PHE A 41 -0.637 -3.223 5.135 1.00 62.15 H new ATOM 649 N SER A 42 -4.197 -7.720 9.200 1.00 62.11 N ATOM 650 CA SER A 42 -3.205 -7.929 10.247 1.00 71.45 C ATOM 651 C SER A 42 -2.715 -9.374 10.289 1.00 51.51 C ATOM 652 O SER A 42 -1.512 -9.633 10.169 1.00 41.51 O ATOM 653 CB SER A 42 -3.778 -7.522 11.609 1.00 1.22 C ATOM 654 OG SER A 42 -2.789 -7.573 12.625 1.00 71.34 O ATOM 0 H SER A 42 -5.164 -7.720 9.523 1.00 62.11 H new ATOM 0 HA SER A 42 -2.346 -7.299 10.015 1.00 71.45 H new ATOM 0 HB2 SER A 42 -4.186 -6.513 11.547 1.00 1.22 H new ATOM 0 HB3 SER A 42 -4.604 -8.184 11.870 1.00 1.22 H new ATOM 0 HG SER A 42 -3.185 -7.306 13.481 1.00 71.34 H new ATOM 660 N GLU A 43 -3.646 -10.315 10.436 1.00 43.13 N ATOM 661 CA GLU A 43 -3.293 -11.728 10.552 1.00 72.50 C ATOM 662 C GLU A 43 -2.565 -12.224 9.303 1.00 62.12 C ATOM 663 O GLU A 43 -1.645 -13.033 9.388 1.00 41.52 O ATOM 664 CB GLU A 43 -4.538 -12.580 10.820 1.00 35.12 C ATOM 665 CG GLU A 43 -5.542 -12.586 9.682 1.00 41.43 C ATOM 666 CD GLU A 43 -6.761 -13.428 9.980 1.00 40.42 C ATOM 667 OE1 GLU A 43 -6.636 -14.413 10.744 1.00 62.23 O ATOM 668 OE2 GLU A 43 -7.852 -13.123 9.450 1.00 24.51 O ATOM 0 H GLU A 43 -4.647 -10.125 10.477 1.00 43.13 H new ATOM 0 HA GLU A 43 -2.615 -11.830 11.399 1.00 72.50 H new ATOM 0 HB2 GLU A 43 -4.227 -13.605 11.021 1.00 35.12 H new ATOM 0 HB3 GLU A 43 -5.029 -12.213 11.721 1.00 35.12 H new ATOM 0 HG2 GLU A 43 -5.855 -11.563 9.474 1.00 41.43 H new ATOM 0 HG3 GLU A 43 -5.059 -12.961 8.780 1.00 41.43 H new ATOM 675 N PHE A 44 -2.964 -11.718 8.156 1.00 32.41 N ATOM 676 CA PHE A 44 -2.350 -12.127 6.915 1.00 30.54 C ATOM 677 C PHE A 44 -1.024 -11.442 6.672 1.00 34.03 C ATOM 678 O PHE A 44 -0.143 -12.022 6.068 1.00 15.40 O ATOM 679 CB PHE A 44 -3.297 -11.940 5.737 1.00 40.33 C ATOM 680 CG PHE A 44 -4.314 -13.034 5.636 1.00 31.14 C ATOM 681 CD1 PHE A 44 -5.502 -12.960 6.335 1.00 74.40 C ATOM 682 CD2 PHE A 44 -4.070 -14.146 4.855 1.00 13.02 C ATOM 683 CE1 PHE A 44 -6.430 -13.975 6.258 1.00 3.34 C ATOM 684 CE2 PHE A 44 -4.995 -15.162 4.770 1.00 73.23 C ATOM 685 CZ PHE A 44 -6.176 -15.077 5.475 1.00 52.04 C ATOM 0 H PHE A 44 -3.707 -11.026 8.059 1.00 32.41 H new ATOM 0 HA PHE A 44 -2.139 -13.192 7.008 1.00 30.54 H new ATOM 0 HB2 PHE A 44 -3.808 -10.982 5.835 1.00 40.33 H new ATOM 0 HB3 PHE A 44 -2.719 -11.900 4.814 1.00 40.33 H new ATOM 0 HD1 PHE A 44 -5.706 -12.096 6.950 1.00 74.40 H new ATOM 0 HD2 PHE A 44 -3.144 -14.220 4.305 1.00 13.02 H new ATOM 0 HE1 PHE A 44 -7.355 -13.906 6.811 1.00 3.34 H new ATOM 0 HE2 PHE A 44 -4.795 -16.025 4.152 1.00 73.23 H new ATOM 0 HZ PHE A 44 -6.901 -15.875 5.413 1.00 52.04 H new ATOM 695 N SER A 45 -0.864 -10.229 7.167 1.00 52.43 N ATOM 696 CA SER A 45 0.385 -9.508 6.974 1.00 15.12 C ATOM 697 C SER A 45 1.563 -10.309 7.539 1.00 74.53 C ATOM 698 O SER A 45 2.609 -10.428 6.903 1.00 14.14 O ATOM 699 CB SER A 45 0.321 -8.120 7.622 1.00 71.34 C ATOM 700 OG SER A 45 1.411 -7.307 7.213 1.00 72.32 O ATOM 0 H SER A 45 -1.573 -9.725 7.700 1.00 52.43 H new ATOM 0 HA SER A 45 0.537 -9.377 5.903 1.00 15.12 H new ATOM 0 HB2 SER A 45 -0.618 -7.635 7.354 1.00 71.34 H new ATOM 0 HB3 SER A 45 0.329 -8.223 8.707 1.00 71.34 H new ATOM 0 HG SER A 45 2.046 -7.847 6.698 1.00 72.32 H new ATOM 706 N LYS A 46 1.372 -10.899 8.711 1.00 4.33 N ATOM 707 CA LYS A 46 2.436 -11.657 9.349 1.00 44.54 C ATOM 708 C LYS A 46 2.623 -13.063 8.739 1.00 72.20 C ATOM 709 O LYS A 46 3.730 -13.586 8.730 1.00 70.50 O ATOM 710 CB LYS A 46 2.258 -11.689 10.883 1.00 12.45 C ATOM 711 CG LYS A 46 0.870 -12.080 11.375 1.00 1.21 C ATOM 712 CD LYS A 46 0.762 -13.568 11.629 1.00 65.02 C ATOM 713 CE LYS A 46 -0.588 -13.933 12.235 1.00 42.40 C ATOM 714 NZ LYS A 46 -0.778 -13.332 13.582 1.00 41.30 N ATOM 0 H LYS A 46 0.497 -10.867 9.235 1.00 4.33 H new ATOM 0 HA LYS A 46 3.368 -11.131 9.145 1.00 44.54 H new ATOM 0 HB2 LYS A 46 2.983 -12.388 11.301 1.00 12.45 H new ATOM 0 HB3 LYS A 46 2.501 -10.703 11.280 1.00 12.45 H new ATOM 0 HG2 LYS A 46 0.643 -11.537 12.293 1.00 1.21 H new ATOM 0 HG3 LYS A 46 0.125 -11.782 10.637 1.00 1.21 H new ATOM 0 HD2 LYS A 46 0.900 -14.109 10.693 1.00 65.02 H new ATOM 0 HD3 LYS A 46 1.561 -13.883 12.300 1.00 65.02 H new ATOM 0 HE2 LYS A 46 -1.385 -13.596 11.572 1.00 42.40 H new ATOM 0 HE3 LYS A 46 -0.671 -15.017 12.307 1.00 42.40 H new ATOM 0 HZ1 LYS A 46 -1.575 -13.798 14.061 1.00 41.30 H new ATOM 0 HZ2 LYS A 46 0.087 -13.461 14.145 1.00 41.30 H new ATOM 0 HZ3 LYS A 46 -0.979 -12.316 13.484 1.00 41.30 H new ATOM 728 N LYS A 47 1.548 -13.669 8.221 1.00 33.31 N ATOM 729 CA LYS A 47 1.662 -14.992 7.571 1.00 72.00 C ATOM 730 C LYS A 47 2.197 -14.847 6.140 1.00 45.43 C ATOM 731 O LYS A 47 2.925 -15.706 5.637 1.00 23.25 O ATOM 732 CB LYS A 47 0.297 -15.705 7.532 1.00 34.12 C ATOM 733 CG LYS A 47 -0.384 -15.914 8.891 1.00 32.04 C ATOM 734 CD LYS A 47 0.131 -17.151 9.647 1.00 22.20 C ATOM 735 CE LYS A 47 1.546 -16.976 10.181 1.00 73.31 C ATOM 736 NZ LYS A 47 1.926 -18.073 11.102 1.00 2.12 N ATOM 0 H LYS A 47 0.605 -13.279 8.235 1.00 33.31 H new ATOM 0 HA LYS A 47 2.359 -15.589 8.159 1.00 72.00 H new ATOM 0 HB2 LYS A 47 -0.374 -15.130 6.895 1.00 34.12 H new ATOM 0 HB3 LYS A 47 0.430 -16.678 7.059 1.00 34.12 H new ATOM 0 HG2 LYS A 47 -0.228 -15.029 9.508 1.00 32.04 H new ATOM 0 HG3 LYS A 47 -1.459 -16.011 8.740 1.00 32.04 H new ATOM 0 HD2 LYS A 47 -0.541 -17.368 10.478 1.00 22.20 H new ATOM 0 HD3 LYS A 47 0.104 -18.014 8.982 1.00 22.20 H new ATOM 0 HE2 LYS A 47 2.247 -16.942 9.347 1.00 73.31 H new ATOM 0 HE3 LYS A 47 1.623 -16.021 10.701 1.00 73.31 H new ATOM 0 HZ1 LYS A 47 2.896 -17.919 11.444 1.00 2.12 H new ATOM 0 HZ2 LYS A 47 1.272 -18.090 11.910 1.00 2.12 H new ATOM 0 HZ3 LYS A 47 1.877 -18.982 10.598 1.00 2.12 H new ATOM 750 N CYS A 48 1.835 -13.756 5.515 1.00 71.00 N ATOM 751 CA CYS A 48 2.264 -13.506 4.147 1.00 33.22 C ATOM 752 C CYS A 48 3.714 -13.016 4.075 1.00 24.41 C ATOM 753 O CYS A 48 4.462 -13.447 3.207 1.00 41.31 O ATOM 754 CB CYS A 48 1.300 -12.551 3.420 1.00 65.54 C ATOM 755 SG CYS A 48 -0.442 -13.145 3.358 1.00 10.43 S ATOM 0 H CYS A 48 1.249 -13.026 5.921 1.00 71.00 H new ATOM 0 HA CYS A 48 2.232 -14.462 3.624 1.00 33.22 H new ATOM 0 HB2 CYS A 48 1.324 -11.581 3.916 1.00 65.54 H new ATOM 0 HB3 CYS A 48 1.657 -12.398 2.402 1.00 65.54 H new ATOM 760 N SER A 49 4.106 -12.115 4.979 1.00 2.33 N ATOM 761 CA SER A 49 5.495 -11.618 5.015 1.00 45.22 C ATOM 762 C SER A 49 6.530 -12.754 5.032 1.00 13.32 C ATOM 763 O SER A 49 7.561 -12.669 4.361 1.00 22.44 O ATOM 764 CB SER A 49 5.703 -10.675 6.202 1.00 41.53 C ATOM 765 OG SER A 49 5.152 -11.217 7.387 1.00 22.44 O ATOM 0 H SER A 49 3.494 -11.715 5.690 1.00 2.33 H new ATOM 0 HA SER A 49 5.655 -11.061 4.092 1.00 45.22 H new ATOM 0 HB2 SER A 49 6.768 -10.493 6.343 1.00 41.53 H new ATOM 0 HB3 SER A 49 5.240 -9.711 5.990 1.00 41.53 H new ATOM 0 HG SER A 49 4.176 -11.132 7.362 1.00 22.44 H new ATOM 771 N GLU A 50 6.252 -13.810 5.788 1.00 14.42 N ATOM 772 CA GLU A 50 7.155 -14.957 5.843 1.00 32.41 C ATOM 773 C GLU A 50 7.246 -15.654 4.482 1.00 34.31 C ATOM 774 O GLU A 50 8.309 -16.136 4.089 1.00 3.14 O ATOM 775 CB GLU A 50 6.720 -15.945 6.920 1.00 64.13 C ATOM 776 CG GLU A 50 6.767 -15.377 8.325 1.00 74.04 C ATOM 777 CD GLU A 50 6.562 -16.434 9.381 1.00 72.13 C ATOM 778 OE1 GLU A 50 5.398 -16.719 9.728 1.00 34.32 O ATOM 779 OE2 GLU A 50 7.572 -16.995 9.870 1.00 24.44 O ATOM 0 H GLU A 50 5.417 -13.897 6.367 1.00 14.42 H new ATOM 0 HA GLU A 50 8.146 -14.584 6.101 1.00 32.41 H new ATOM 0 HB2 GLU A 50 5.704 -16.278 6.706 1.00 64.13 H new ATOM 0 HB3 GLU A 50 7.360 -16.826 6.872 1.00 64.13 H new ATOM 0 HG2 GLU A 50 7.729 -14.890 8.485 1.00 74.04 H new ATOM 0 HG3 GLU A 50 6.000 -14.610 8.429 1.00 74.04 H new ATOM 786 N ARG A 51 6.131 -15.682 3.763 1.00 21.31 N ATOM 787 CA ARG A 51 6.074 -16.282 2.438 1.00 64.21 C ATOM 788 C ARG A 51 6.793 -15.377 1.433 1.00 25.02 C ATOM 789 O ARG A 51 7.501 -15.852 0.549 1.00 21.21 O ATOM 790 CB ARG A 51 4.609 -16.492 2.036 1.00 23.21 C ATOM 791 CG ARG A 51 4.387 -16.980 0.614 1.00 60.34 C ATOM 792 CD ARG A 51 2.905 -17.183 0.355 1.00 52.34 C ATOM 793 NE ARG A 51 2.593 -17.397 -1.059 1.00 43.51 N ATOM 794 CZ ARG A 51 1.394 -17.142 -1.595 1.00 53.45 C ATOM 795 NH1 ARG A 51 0.415 -16.685 -0.828 1.00 0.55 N ATOM 796 NH2 ARG A 51 1.169 -17.357 -2.888 1.00 5.24 N ATOM 0 H ARG A 51 5.244 -15.291 4.081 1.00 21.31 H new ATOM 0 HA ARG A 51 6.574 -17.251 2.447 1.00 64.21 H new ATOM 0 HB2 ARG A 51 4.161 -17.210 2.723 1.00 23.21 H new ATOM 0 HB3 ARG A 51 4.076 -15.550 2.166 1.00 23.21 H new ATOM 0 HG2 ARG A 51 4.792 -16.257 -0.094 1.00 60.34 H new ATOM 0 HG3 ARG A 51 4.923 -17.916 0.455 1.00 60.34 H new ATOM 0 HD2 ARG A 51 2.556 -18.039 0.932 1.00 52.34 H new ATOM 0 HD3 ARG A 51 2.357 -16.312 0.714 1.00 52.34 H new ATOM 0 HE ARG A 51 3.328 -17.759 -1.667 1.00 43.51 H new ATOM 0 HH11 ARG A 51 0.577 -16.529 0.167 1.00 0.55 H new ATOM 0 HH12 ARG A 51 -0.501 -16.489 -1.232 1.00 0.55 H new ATOM 0 HH21 ARG A 51 1.915 -17.720 -3.482 1.00 5.24 H new ATOM 0 HH22 ARG A 51 0.251 -17.159 -3.286 1.00 5.24 H new ATOM 810 N TRP A 52 6.593 -14.096 1.591 1.00 11.52 N ATOM 811 CA TRP A 52 7.259 -13.072 0.777 1.00 51.23 C ATOM 812 C TRP A 52 8.772 -13.314 0.720 1.00 1.31 C ATOM 813 O TRP A 52 9.385 -13.248 -0.348 1.00 20.24 O ATOM 814 CB TRP A 52 6.962 -11.667 1.347 1.00 63.40 C ATOM 815 CG TRP A 52 7.841 -10.576 0.796 1.00 64.34 C ATOM 816 CD1 TRP A 52 8.942 -10.035 1.397 1.00 61.12 C ATOM 817 CD2 TRP A 52 7.696 -9.895 -0.457 1.00 1.23 C ATOM 818 NE1 TRP A 52 9.490 -9.068 0.595 1.00 34.32 N ATOM 819 CE2 TRP A 52 8.746 -8.961 -0.546 1.00 71.31 C ATOM 820 CE3 TRP A 52 6.785 -9.985 -1.508 1.00 44.21 C ATOM 821 CZ2 TRP A 52 8.908 -8.126 -1.647 1.00 63.42 C ATOM 822 CZ3 TRP A 52 6.946 -9.155 -2.600 1.00 40.44 C ATOM 823 CH2 TRP A 52 8.000 -8.238 -2.661 1.00 3.10 C ATOM 0 H TRP A 52 5.959 -13.713 2.292 1.00 11.52 H new ATOM 0 HA TRP A 52 6.868 -13.134 -0.239 1.00 51.23 H new ATOM 0 HB2 TRP A 52 5.921 -11.417 1.142 1.00 63.40 H new ATOM 0 HB3 TRP A 52 7.075 -11.696 2.431 1.00 63.40 H new ATOM 0 HD1 TRP A 52 9.325 -10.327 2.364 1.00 61.12 H new ATOM 0 HE1 TRP A 52 10.320 -8.517 0.815 1.00 34.32 H new ATOM 0 HE3 TRP A 52 5.968 -10.691 -1.469 1.00 44.21 H new ATOM 0 HZ2 TRP A 52 9.721 -7.416 -1.698 1.00 63.42 H new ATOM 0 HZ3 TRP A 52 6.246 -9.215 -3.420 1.00 40.44 H new ATOM 0 HH2 TRP A 52 8.098 -7.604 -3.530 1.00 3.10 H new ATOM 834 N LYS A 53 9.352 -13.624 1.872 1.00 25.21 N ATOM 835 CA LYS A 53 10.786 -13.868 1.981 1.00 32.45 C ATOM 836 C LYS A 53 11.210 -15.117 1.213 1.00 24.32 C ATOM 837 O LYS A 53 12.347 -15.220 0.763 1.00 42.32 O ATOM 838 CB LYS A 53 11.191 -14.012 3.445 1.00 11.04 C ATOM 839 CG LYS A 53 10.934 -12.778 4.286 1.00 75.22 C ATOM 840 CD LYS A 53 11.337 -13.009 5.728 1.00 0.11 C ATOM 841 CE LYS A 53 11.066 -11.789 6.583 1.00 3.33 C ATOM 842 NZ LYS A 53 11.429 -12.017 8.001 1.00 51.51 N ATOM 0 H LYS A 53 8.846 -13.713 2.753 1.00 25.21 H new ATOM 0 HA LYS A 53 11.293 -13.009 1.541 1.00 32.45 H new ATOM 0 HB2 LYS A 53 10.650 -14.853 3.879 1.00 11.04 H new ATOM 0 HB3 LYS A 53 12.252 -14.257 3.494 1.00 11.04 H new ATOM 0 HG2 LYS A 53 11.492 -11.934 3.880 1.00 75.22 H new ATOM 0 HG3 LYS A 53 9.877 -12.515 4.238 1.00 75.22 H new ATOM 0 HD2 LYS A 53 10.790 -13.863 6.127 1.00 0.11 H new ATOM 0 HD3 LYS A 53 12.397 -13.259 5.775 1.00 0.11 H new ATOM 0 HE2 LYS A 53 11.631 -10.941 6.195 1.00 3.33 H new ATOM 0 HE3 LYS A 53 10.010 -11.526 6.516 1.00 3.33 H new ATOM 0 HZ1 LYS A 53 11.229 -11.159 8.553 1.00 51.51 H new ATOM 0 HZ2 LYS A 53 10.872 -12.810 8.379 1.00 51.51 H new ATOM 0 HZ3 LYS A 53 12.442 -12.243 8.068 1.00 51.51 H new ATOM 856 N THR A 54 10.300 -16.062 1.062 1.00 53.12 N ATOM 857 CA THR A 54 10.614 -17.306 0.385 1.00 34.44 C ATOM 858 C THR A 54 10.282 -17.248 -1.109 1.00 71.10 C ATOM 859 O THR A 54 10.409 -18.247 -1.822 1.00 64.51 O ATOM 860 CB THR A 54 9.900 -18.509 1.045 1.00 72.42 C ATOM 861 OG1 THR A 54 8.490 -18.251 1.174 1.00 74.33 O ATOM 862 CG2 THR A 54 10.490 -18.794 2.420 1.00 71.02 C ATOM 0 H THR A 54 9.340 -15.992 1.398 1.00 53.12 H new ATOM 0 HA THR A 54 11.690 -17.448 0.484 1.00 34.44 H new ATOM 0 HB THR A 54 10.048 -19.379 0.406 1.00 72.42 H new ATOM 0 HG1 THR A 54 8.257 -17.447 0.664 1.00 74.33 H new ATOM 0 HG21 THR A 54 9.975 -19.643 2.868 1.00 71.02 H new ATOM 0 HG22 THR A 54 11.551 -19.025 2.320 1.00 71.02 H new ATOM 0 HG23 THR A 54 10.368 -17.918 3.057 1.00 71.02 H new ATOM 870 N MET A 55 9.870 -16.079 -1.586 1.00 45.43 N ATOM 871 CA MET A 55 9.551 -15.909 -2.998 1.00 1.01 C ATOM 872 C MET A 55 10.765 -15.401 -3.758 1.00 74.43 C ATOM 873 O MET A 55 11.452 -14.488 -3.303 1.00 4.35 O ATOM 874 CB MET A 55 8.375 -14.958 -3.188 1.00 14.33 C ATOM 875 CG MET A 55 7.080 -15.438 -2.559 1.00 62.32 C ATOM 876 SD MET A 55 5.631 -14.623 -3.256 1.00 31.43 S ATOM 877 CE MET A 55 6.125 -12.907 -3.149 1.00 10.45 C ATOM 0 H MET A 55 9.750 -15.239 -1.019 1.00 45.43 H new ATOM 0 HA MET A 55 9.266 -16.883 -3.396 1.00 1.01 H new ATOM 0 HB2 MET A 55 8.634 -13.988 -2.764 1.00 14.33 H new ATOM 0 HB3 MET A 55 8.213 -14.806 -4.255 1.00 14.33 H new ATOM 0 HG2 MET A 55 6.989 -16.515 -2.699 1.00 62.32 H new ATOM 0 HG3 MET A 55 7.113 -15.257 -1.485 1.00 62.32 H new ATOM 0 HE1 MET A 55 5.253 -12.268 -3.287 1.00 10.45 H new ATOM 0 HE2 MET A 55 6.564 -12.715 -2.170 1.00 10.45 H new ATOM 0 HE3 MET A 55 6.859 -12.691 -3.925 1.00 10.45 H new ATOM 887 N SER A 56 11.040 -16.009 -4.896 1.00 24.12 N ATOM 888 CA SER A 56 12.205 -15.659 -5.692 1.00 54.24 C ATOM 889 C SER A 56 11.936 -14.404 -6.548 1.00 13.02 C ATOM 890 O SER A 56 10.894 -13.747 -6.406 1.00 31.33 O ATOM 891 CB SER A 56 12.566 -16.834 -6.593 1.00 65.54 C ATOM 892 OG SER A 56 11.445 -17.231 -7.374 1.00 70.03 O ATOM 0 H SER A 56 10.468 -16.754 -5.294 1.00 24.12 H new ATOM 0 HA SER A 56 13.034 -15.437 -5.020 1.00 54.24 H new ATOM 0 HB2 SER A 56 13.392 -16.556 -7.248 1.00 65.54 H new ATOM 0 HB3 SER A 56 12.908 -17.672 -5.986 1.00 65.54 H new ATOM 0 HG SER A 56 11.696 -17.985 -7.947 1.00 70.03 H new ATOM 898 N ALA A 57 12.869 -14.098 -7.449 1.00 44.11 N ATOM 899 CA ALA A 57 12.747 -12.936 -8.331 1.00 12.11 C ATOM 900 C ALA A 57 11.564 -13.055 -9.279 1.00 22.15 C ATOM 901 O ALA A 57 10.920 -12.059 -9.601 1.00 74.21 O ATOM 902 CB ALA A 57 14.030 -12.740 -9.121 1.00 12.21 C ATOM 0 H ALA A 57 13.721 -14.641 -7.588 1.00 44.11 H new ATOM 0 HA ALA A 57 12.572 -12.066 -7.698 1.00 12.11 H new ATOM 0 HB1 ALA A 57 13.927 -11.873 -9.773 1.00 12.21 H new ATOM 0 HB2 ALA A 57 14.860 -12.580 -8.433 1.00 12.21 H new ATOM 0 HB3 ALA A 57 14.225 -13.627 -9.724 1.00 12.21 H new ATOM 908 N LYS A 58 11.265 -14.270 -9.715 1.00 11.54 N ATOM 909 CA LYS A 58 10.162 -14.488 -10.643 1.00 53.21 C ATOM 910 C LYS A 58 8.840 -14.172 -9.969 1.00 64.33 C ATOM 911 O LYS A 58 7.918 -13.645 -10.592 1.00 12.02 O ATOM 912 CB LYS A 58 10.157 -15.937 -11.137 1.00 45.41 C ATOM 913 CG LYS A 58 11.405 -16.361 -11.916 1.00 53.30 C ATOM 914 CD LYS A 58 11.492 -15.680 -13.281 1.00 33.24 C ATOM 915 CE LYS A 58 12.314 -14.398 -13.234 1.00 63.14 C ATOM 916 NZ LYS A 58 12.339 -13.713 -14.551 1.00 3.30 N ATOM 0 H LYS A 58 11.766 -15.116 -9.444 1.00 11.54 H new ATOM 0 HA LYS A 58 10.295 -13.824 -11.497 1.00 53.21 H new ATOM 0 HB2 LYS A 58 10.042 -16.597 -10.277 1.00 45.41 H new ATOM 0 HB3 LYS A 58 9.283 -16.085 -11.772 1.00 45.41 H new ATOM 0 HG2 LYS A 58 12.294 -16.119 -11.334 1.00 53.30 H new ATOM 0 HG3 LYS A 58 11.397 -17.443 -12.051 1.00 53.30 H new ATOM 0 HD2 LYS A 58 11.936 -16.368 -14.001 1.00 33.24 H new ATOM 0 HD3 LYS A 58 10.487 -15.452 -13.636 1.00 33.24 H new ATOM 0 HE2 LYS A 58 11.898 -13.727 -12.482 1.00 63.14 H new ATOM 0 HE3 LYS A 58 13.333 -14.630 -12.925 1.00 63.14 H new ATOM 0 HZ1 LYS A 58 12.908 -12.845 -14.480 1.00 3.30 H new ATOM 0 HZ2 LYS A 58 12.758 -14.345 -15.263 1.00 3.30 H new ATOM 0 HZ3 LYS A 58 11.368 -13.469 -14.834 1.00 3.30 H new ATOM 930 N GLU A 59 8.768 -14.475 -8.692 1.00 75.31 N ATOM 931 CA GLU A 59 7.567 -14.259 -7.919 1.00 22.43 C ATOM 932 C GLU A 59 7.401 -12.785 -7.572 1.00 23.33 C ATOM 933 O GLU A 59 6.334 -12.209 -7.775 1.00 23.11 O ATOM 934 CB GLU A 59 7.618 -15.088 -6.647 1.00 13.23 C ATOM 935 CG GLU A 59 7.762 -16.581 -6.887 1.00 40.24 C ATOM 936 CD GLU A 59 6.628 -17.150 -7.709 1.00 55.45 C ATOM 937 OE1 GLU A 59 5.511 -17.283 -7.175 1.00 43.43 O ATOM 938 OE2 GLU A 59 6.850 -17.481 -8.889 1.00 52.45 O ATOM 0 H GLU A 59 9.540 -14.878 -8.161 1.00 75.31 H new ATOM 0 HA GLU A 59 6.711 -14.567 -8.519 1.00 22.43 H new ATOM 0 HB2 GLU A 59 8.454 -14.746 -6.036 1.00 13.23 H new ATOM 0 HB3 GLU A 59 6.709 -14.909 -6.072 1.00 13.23 H new ATOM 0 HG2 GLU A 59 8.707 -16.774 -7.395 1.00 40.24 H new ATOM 0 HG3 GLU A 59 7.805 -17.097 -5.928 1.00 40.24 H new ATOM 945 N LYS A 60 8.467 -12.170 -7.069 1.00 4.52 N ATOM 946 CA LYS A 60 8.431 -10.773 -6.661 1.00 60.21 C ATOM 947 C LYS A 60 8.250 -9.837 -7.850 1.00 42.44 C ATOM 948 O LYS A 60 7.557 -8.826 -7.743 1.00 63.30 O ATOM 949 CB LYS A 60 9.695 -10.416 -5.874 1.00 50.54 C ATOM 950 CG LYS A 60 9.797 -11.134 -4.535 1.00 75.22 C ATOM 951 CD LYS A 60 11.125 -10.861 -3.848 1.00 13.30 C ATOM 952 CE LYS A 60 11.184 -11.526 -2.480 1.00 75.11 C ATOM 953 NZ LYS A 60 12.523 -11.396 -1.853 1.00 74.40 N ATOM 0 H LYS A 60 9.371 -12.622 -6.934 1.00 4.52 H new ATOM 0 HA LYS A 60 7.564 -10.640 -6.014 1.00 60.21 H new ATOM 0 HB2 LYS A 60 10.570 -10.660 -6.476 1.00 50.54 H new ATOM 0 HB3 LYS A 60 9.716 -9.340 -5.703 1.00 50.54 H new ATOM 0 HG2 LYS A 60 8.980 -10.814 -3.888 1.00 75.22 H new ATOM 0 HG3 LYS A 60 9.681 -12.207 -4.688 1.00 75.22 H new ATOM 0 HD2 LYS A 60 11.941 -11.229 -4.470 1.00 13.30 H new ATOM 0 HD3 LYS A 60 11.267 -9.786 -3.739 1.00 13.30 H new ATOM 0 HE2 LYS A 60 10.434 -11.079 -1.828 1.00 75.11 H new ATOM 0 HE3 LYS A 60 10.932 -12.582 -2.579 1.00 75.11 H new ATOM 0 HZ1 LYS A 60 12.518 -11.863 -0.924 1.00 74.40 H new ATOM 0 HZ2 LYS A 60 13.237 -11.845 -2.462 1.00 74.40 H new ATOM 0 HZ3 LYS A 60 12.754 -10.389 -1.733 1.00 74.40 H new ATOM 967 N GLY A 61 8.856 -10.186 -8.984 1.00 74.32 N ATOM 968 CA GLY A 61 8.734 -9.368 -10.186 1.00 70.24 C ATOM 969 C GLY A 61 7.290 -9.175 -10.605 1.00 70.44 C ATOM 970 O GLY A 61 6.924 -8.129 -11.155 1.00 24.23 O ATOM 0 H GLY A 61 9.431 -11.022 -9.094 1.00 74.32 H new ATOM 0 HA2 GLY A 61 9.192 -8.395 -10.009 1.00 70.24 H new ATOM 0 HA3 GLY A 61 9.287 -9.837 -11.000 1.00 70.24 H new ATOM 974 N LYS A 62 6.472 -10.182 -10.332 1.00 44.14 N ATOM 975 CA LYS A 62 5.047 -10.144 -10.632 1.00 34.11 C ATOM 976 C LYS A 62 4.356 -9.050 -9.818 1.00 4.35 C ATOM 977 O LYS A 62 3.513 -8.310 -10.330 1.00 61.52 O ATOM 978 CB LYS A 62 4.426 -11.513 -10.318 1.00 44.04 C ATOM 979 CG LYS A 62 2.905 -11.538 -10.290 1.00 3.51 C ATOM 980 CD LYS A 62 2.394 -12.910 -9.876 1.00 21.30 C ATOM 981 CE LYS A 62 0.897 -12.898 -9.603 1.00 62.44 C ATOM 982 NZ LYS A 62 0.110 -12.502 -10.795 1.00 24.22 N ATOM 0 H LYS A 62 6.779 -11.051 -9.895 1.00 44.14 H new ATOM 0 HA LYS A 62 4.910 -9.918 -11.689 1.00 34.11 H new ATOM 0 HB2 LYS A 62 4.773 -12.231 -11.061 1.00 44.04 H new ATOM 0 HB3 LYS A 62 4.798 -11.851 -9.351 1.00 44.04 H new ATOM 0 HG2 LYS A 62 2.537 -10.783 -9.595 1.00 3.51 H new ATOM 0 HG3 LYS A 62 2.515 -11.282 -11.275 1.00 3.51 H new ATOM 0 HD2 LYS A 62 2.614 -13.632 -10.662 1.00 21.30 H new ATOM 0 HD3 LYS A 62 2.924 -13.240 -8.982 1.00 21.30 H new ATOM 0 HE2 LYS A 62 0.582 -13.889 -9.275 1.00 62.44 H new ATOM 0 HE3 LYS A 62 0.685 -12.209 -8.785 1.00 62.44 H new ATOM 0 HZ1 LYS A 62 -0.905 -12.558 -10.575 1.00 24.22 H new ATOM 0 HZ2 LYS A 62 0.353 -11.527 -11.063 1.00 24.22 H new ATOM 0 HZ3 LYS A 62 0.329 -13.143 -11.584 1.00 24.22 H new ATOM 996 N PHE A 63 4.735 -8.941 -8.557 1.00 15.34 N ATOM 997 CA PHE A 63 4.137 -7.966 -7.666 1.00 1.15 C ATOM 998 C PHE A 63 4.729 -6.582 -7.883 1.00 62.04 C ATOM 999 O PHE A 63 4.034 -5.574 -7.733 1.00 12.41 O ATOM 1000 CB PHE A 63 4.279 -8.410 -6.209 1.00 25.34 C ATOM 1001 CG PHE A 63 3.579 -9.709 -5.931 1.00 43.21 C ATOM 1002 CD1 PHE A 63 2.207 -9.744 -5.746 1.00 55.53 C ATOM 1003 CD2 PHE A 63 4.286 -10.897 -5.873 1.00 41.14 C ATOM 1004 CE1 PHE A 63 1.555 -10.937 -5.508 1.00 15.32 C ATOM 1005 CE2 PHE A 63 3.640 -12.095 -5.636 1.00 10.23 C ATOM 1006 CZ PHE A 63 2.272 -12.114 -5.454 1.00 1.13 C ATOM 0 H PHE A 63 5.457 -9.519 -8.127 1.00 15.34 H new ATOM 0 HA PHE A 63 3.074 -7.903 -7.898 1.00 1.15 H new ATOM 0 HB2 PHE A 63 5.337 -8.512 -5.965 1.00 25.34 H new ATOM 0 HB3 PHE A 63 3.875 -7.636 -5.556 1.00 25.34 H new ATOM 0 HD1 PHE A 63 1.640 -8.826 -5.789 1.00 55.53 H new ATOM 0 HD2 PHE A 63 5.357 -10.888 -6.015 1.00 41.14 H new ATOM 0 HE1 PHE A 63 0.485 -10.949 -5.364 1.00 15.32 H new ATOM 0 HE2 PHE A 63 4.204 -13.015 -5.593 1.00 10.23 H new ATOM 0 HZ PHE A 63 1.764 -13.049 -5.270 1.00 1.13 H new ATOM 1016 N GLU A 64 6.011 -6.529 -8.244 1.00 31.10 N ATOM 1017 CA GLU A 64 6.654 -5.257 -8.536 1.00 72.30 C ATOM 1018 C GLU A 64 5.972 -4.597 -9.720 1.00 1.14 C ATOM 1019 O GLU A 64 5.617 -3.428 -9.654 1.00 22.24 O ATOM 1020 CB GLU A 64 8.149 -5.432 -8.796 1.00 54.41 C ATOM 1021 CG GLU A 64 8.913 -5.966 -7.598 1.00 4.23 C ATOM 1022 CD GLU A 64 10.407 -5.863 -7.764 1.00 41.43 C ATOM 1023 OE1 GLU A 64 11.007 -6.756 -8.386 1.00 5.14 O ATOM 1024 OE2 GLU A 64 10.993 -4.885 -7.264 1.00 44.01 O ATOM 0 H GLU A 64 6.616 -7.345 -8.339 1.00 31.10 H new ATOM 0 HA GLU A 64 6.552 -4.612 -7.663 1.00 72.30 H new ATOM 0 HB2 GLU A 64 8.286 -6.112 -9.637 1.00 54.41 H new ATOM 0 HB3 GLU A 64 8.574 -4.472 -9.089 1.00 54.41 H new ATOM 0 HG2 GLU A 64 8.612 -5.415 -6.707 1.00 4.23 H new ATOM 0 HG3 GLU A 64 8.641 -7.009 -7.435 1.00 4.23 H new ATOM 1031 N ASP A 65 5.853 -5.344 -10.824 1.00 21.00 N ATOM 1032 CA ASP A 65 5.068 -4.915 -12.005 1.00 0.14 C ATOM 1033 C ASP A 65 3.807 -4.131 -11.617 1.00 15.53 C ATOM 1034 O ASP A 65 3.548 -3.054 -12.157 1.00 52.23 O ATOM 1035 CB ASP A 65 4.684 -6.134 -12.842 1.00 40.11 C ATOM 1036 CG ASP A 65 3.947 -5.770 -14.114 1.00 34.22 C ATOM 1037 OD1 ASP A 65 4.614 -5.389 -15.110 1.00 34.34 O ATOM 1038 OD2 ASP A 65 2.705 -5.885 -14.139 1.00 63.54 O ATOM 0 H ASP A 65 6.292 -6.258 -10.931 1.00 21.00 H new ATOM 0 HA ASP A 65 5.699 -4.245 -12.589 1.00 0.14 H new ATOM 0 HB2 ASP A 65 5.585 -6.691 -13.098 1.00 40.11 H new ATOM 0 HB3 ASP A 65 4.059 -6.797 -12.243 1.00 40.11 H new ATOM 1043 N MET A 66 3.043 -4.660 -10.673 1.00 54.30 N ATOM 1044 CA MET A 66 1.825 -3.994 -10.218 1.00 4.43 C ATOM 1045 C MET A 66 2.144 -2.765 -9.364 1.00 40.23 C ATOM 1046 O MET A 66 1.507 -1.721 -9.506 1.00 13.31 O ATOM 1047 CB MET A 66 0.937 -4.958 -9.430 1.00 54.42 C ATOM 1048 CG MET A 66 0.356 -6.085 -10.263 1.00 21.20 C ATOM 1049 SD MET A 66 -0.789 -7.126 -9.334 1.00 41.33 S ATOM 1050 CE MET A 66 0.295 -7.798 -8.076 1.00 65.12 C ATOM 0 H MET A 66 3.241 -5.545 -10.207 1.00 54.30 H new ATOM 0 HA MET A 66 1.287 -3.664 -11.106 1.00 4.43 H new ATOM 0 HB2 MET A 66 1.519 -5.386 -8.614 1.00 54.42 H new ATOM 0 HB3 MET A 66 0.120 -4.396 -8.978 1.00 54.42 H new ATOM 0 HG2 MET A 66 -0.161 -5.664 -11.125 1.00 21.20 H new ATOM 0 HG3 MET A 66 1.168 -6.701 -10.649 1.00 21.20 H new ATOM 0 HE1 MET A 66 -0.276 -8.448 -7.413 1.00 65.12 H new ATOM 0 HE2 MET A 66 1.091 -8.372 -8.550 1.00 65.12 H new ATOM 0 HE3 MET A 66 0.730 -6.983 -7.498 1.00 65.12 H new ATOM 1060 N ALA A 67 3.137 -2.894 -8.495 1.00 70.25 N ATOM 1061 CA ALA A 67 3.540 -1.809 -7.599 1.00 4.52 C ATOM 1062 C ALA A 67 4.075 -0.601 -8.367 1.00 11.20 C ATOM 1063 O ALA A 67 3.926 0.541 -7.929 1.00 31.14 O ATOM 1064 CB ALA A 67 4.581 -2.303 -6.608 1.00 60.33 C ATOM 0 H ALA A 67 3.686 -3.747 -8.388 1.00 70.25 H new ATOM 0 HA ALA A 67 2.651 -1.486 -7.058 1.00 4.52 H new ATOM 0 HB1 ALA A 67 4.872 -1.486 -5.948 1.00 60.33 H new ATOM 0 HB2 ALA A 67 4.162 -3.117 -6.016 1.00 60.33 H new ATOM 0 HB3 ALA A 67 5.457 -2.662 -7.149 1.00 60.33 H new ATOM 1070 N LYS A 68 4.701 -0.855 -9.505 1.00 30.21 N ATOM 1071 CA LYS A 68 5.246 0.217 -10.331 1.00 21.34 C ATOM 1072 C LYS A 68 4.132 1.038 -10.963 1.00 4.53 C ATOM 1073 O LYS A 68 4.297 2.222 -11.236 1.00 43.11 O ATOM 1074 CB LYS A 68 6.159 -0.345 -11.418 1.00 61.41 C ATOM 1075 CG LYS A 68 7.414 -1.026 -10.887 1.00 70.43 C ATOM 1076 CD LYS A 68 8.279 -1.560 -12.020 1.00 33.11 C ATOM 1077 CE LYS A 68 7.548 -2.624 -12.822 1.00 51.33 C ATOM 1078 NZ LYS A 68 8.362 -3.137 -13.948 1.00 1.33 N ATOM 0 H LYS A 68 4.846 -1.793 -9.880 1.00 30.21 H new ATOM 0 HA LYS A 68 5.833 0.868 -9.683 1.00 21.34 H new ATOM 0 HB2 LYS A 68 5.596 -1.061 -12.016 1.00 61.41 H new ATOM 0 HB3 LYS A 68 6.453 0.465 -12.085 1.00 61.41 H new ATOM 0 HG2 LYS A 68 7.989 -0.318 -10.291 1.00 70.43 H new ATOM 0 HG3 LYS A 68 7.133 -1.845 -10.225 1.00 70.43 H new ATOM 0 HD2 LYS A 68 8.566 -0.740 -12.678 1.00 33.11 H new ATOM 0 HD3 LYS A 68 9.199 -1.978 -11.611 1.00 33.11 H new ATOM 0 HE2 LYS A 68 7.279 -3.451 -12.165 1.00 51.33 H new ATOM 0 HE3 LYS A 68 6.617 -2.209 -13.209 1.00 51.33 H new ATOM 0 HZ1 LYS A 68 7.822 -3.860 -14.465 1.00 1.33 H new ATOM 0 HZ2 LYS A 68 8.597 -2.354 -14.591 1.00 1.33 H new ATOM 0 HZ3 LYS A 68 9.239 -3.558 -13.579 1.00 1.33 H new ATOM 1092 N ALA A 69 2.993 0.410 -11.174 1.00 50.32 N ATOM 1093 CA ALA A 69 1.859 1.083 -11.778 1.00 13.12 C ATOM 1094 C ALA A 69 1.103 1.913 -10.748 1.00 24.01 C ATOM 1095 O ALA A 69 0.267 2.747 -11.100 1.00 31.44 O ATOM 1096 CB ALA A 69 0.931 0.071 -12.431 1.00 4.34 C ATOM 0 H ALA A 69 2.827 -0.568 -10.936 1.00 50.32 H new ATOM 0 HA ALA A 69 2.235 1.760 -12.545 1.00 13.12 H new ATOM 0 HB1 ALA A 69 0.084 0.590 -12.880 1.00 4.34 H new ATOM 0 HB2 ALA A 69 1.473 -0.475 -13.203 1.00 4.34 H new ATOM 0 HB3 ALA A 69 0.569 -0.629 -11.678 1.00 4.34 H new ATOM 1102 N ASP A 70 1.417 1.703 -9.474 1.00 1.42 N ATOM 1103 CA ASP A 70 0.724 2.401 -8.395 1.00 33.22 C ATOM 1104 C ASP A 70 1.235 3.826 -8.230 1.00 24.24 C ATOM 1105 O ASP A 70 0.602 4.645 -7.586 1.00 12.54 O ATOM 1106 CB ASP A 70 0.848 1.637 -7.079 1.00 54.40 C ATOM 1107 CG ASP A 70 -0.197 2.068 -6.062 1.00 33.50 C ATOM 1108 OD1 ASP A 70 -1.407 2.006 -6.395 1.00 33.44 O ATOM 1109 OD2 ASP A 70 0.178 2.442 -4.929 1.00 60.22 O ATOM 0 H ASP A 70 2.144 1.058 -9.163 1.00 1.42 H new ATOM 0 HA ASP A 70 -0.330 2.452 -8.668 1.00 33.22 H new ATOM 0 HB2 ASP A 70 0.747 0.569 -7.270 1.00 54.40 H new ATOM 0 HB3 ASP A 70 1.843 1.793 -6.663 1.00 54.40 H new ATOM 1114 N LYS A 71 2.381 4.126 -8.833 1.00 53.41 N ATOM 1115 CA LYS A 71 2.949 5.478 -8.756 1.00 14.15 C ATOM 1116 C LYS A 71 1.997 6.503 -9.376 1.00 3.44 C ATOM 1117 O LYS A 71 2.042 7.685 -9.053 1.00 5.44 O ATOM 1118 CB LYS A 71 4.327 5.532 -9.435 1.00 51.34 C ATOM 1119 CG LYS A 71 4.304 5.256 -10.929 1.00 3.43 C ATOM 1120 CD LYS A 71 5.716 5.120 -11.498 1.00 54.20 C ATOM 1121 CE LYS A 71 6.460 6.449 -11.527 1.00 10.14 C ATOM 1122 NZ LYS A 71 5.879 7.398 -12.511 1.00 23.11 N ATOM 0 H LYS A 71 2.934 3.463 -9.376 1.00 53.41 H new ATOM 0 HA LYS A 71 3.081 5.730 -7.704 1.00 14.15 H new ATOM 0 HB2 LYS A 71 4.763 6.517 -9.267 1.00 51.34 H new ATOM 0 HB3 LYS A 71 4.984 4.807 -8.954 1.00 51.34 H new ATOM 0 HG2 LYS A 71 3.744 4.341 -11.122 1.00 3.43 H new ATOM 0 HG3 LYS A 71 3.781 6.064 -11.441 1.00 3.43 H new ATOM 0 HD2 LYS A 71 6.279 4.404 -10.899 1.00 54.20 H new ATOM 0 HD3 LYS A 71 5.660 4.716 -12.509 1.00 54.20 H new ATOM 0 HE2 LYS A 71 6.436 6.898 -10.534 1.00 10.14 H new ATOM 0 HE3 LYS A 71 7.507 6.271 -11.771 1.00 10.14 H new ATOM 0 HZ1 LYS A 71 6.512 8.216 -12.619 1.00 23.11 H new ATOM 0 HZ2 LYS A 71 5.769 6.922 -13.429 1.00 23.11 H new ATOM 0 HZ3 LYS A 71 4.949 7.721 -12.175 1.00 23.11 H new ATOM 1136 N ALA A 72 1.105 6.014 -10.222 1.00 70.21 N ATOM 1137 CA ALA A 72 0.133 6.847 -10.913 1.00 33.40 C ATOM 1138 C ALA A 72 -0.894 7.473 -9.959 1.00 31.22 C ATOM 1139 O ALA A 72 -1.674 8.330 -10.366 1.00 55.42 O ATOM 1140 CB ALA A 72 -0.566 6.046 -12.000 1.00 41.32 C ATOM 0 H ALA A 72 1.034 5.022 -10.450 1.00 70.21 H new ATOM 0 HA ALA A 72 0.682 7.672 -11.368 1.00 33.40 H new ATOM 0 HB1 ALA A 72 -1.291 6.680 -12.510 1.00 41.32 H new ATOM 0 HB2 ALA A 72 0.171 5.687 -12.718 1.00 41.32 H new ATOM 0 HB3 ALA A 72 -1.080 5.196 -11.552 1.00 41.32 H new ATOM 1146 N ARG A 73 -0.898 7.057 -8.691 1.00 14.14 N ATOM 1147 CA ARG A 73 -1.879 7.589 -7.755 1.00 64.00 C ATOM 1148 C ARG A 73 -1.341 8.801 -7.011 1.00 52.11 C ATOM 1149 O ARG A 73 -2.031 9.799 -6.877 1.00 45.15 O ATOM 1150 CB ARG A 73 -2.381 6.534 -6.749 1.00 4.10 C ATOM 1151 CG ARG A 73 -1.310 5.946 -5.838 1.00 62.41 C ATOM 1152 CD ARG A 73 -1.921 5.289 -4.608 1.00 31.22 C ATOM 1153 NE ARG A 73 -3.141 4.550 -4.923 1.00 43.41 N ATOM 1154 CZ ARG A 73 -3.600 3.509 -4.227 1.00 11.14 C ATOM 1155 NH1 ARG A 73 -2.915 3.034 -3.192 1.00 75.23 N ATOM 1156 NH2 ARG A 73 -4.745 2.941 -4.573 1.00 71.43 N ATOM 0 H ARG A 73 -0.251 6.372 -8.300 1.00 14.14 H new ATOM 0 HA ARG A 73 -2.731 7.896 -8.361 1.00 64.00 H new ATOM 0 HB2 ARG A 73 -3.155 6.986 -6.129 1.00 4.10 H new ATOM 0 HB3 ARG A 73 -2.851 5.721 -7.303 1.00 4.10 H new ATOM 0 HG2 ARG A 73 -0.724 5.211 -6.391 1.00 62.41 H new ATOM 0 HG3 ARG A 73 -0.623 6.733 -5.528 1.00 62.41 H new ATOM 0 HD2 ARG A 73 -1.193 4.611 -4.161 1.00 31.22 H new ATOM 0 HD3 ARG A 73 -2.144 6.053 -3.863 1.00 31.22 H new ATOM 0 HE ARG A 73 -3.681 4.852 -5.734 1.00 43.41 H new ATOM 0 HH11 ARG A 73 -2.031 3.466 -2.924 1.00 75.23 H new ATOM 0 HH12 ARG A 73 -3.274 2.237 -2.665 1.00 75.23 H new ATOM 0 HH21 ARG A 73 -5.272 3.300 -5.369 1.00 71.43 H new ATOM 0 HH22 ARG A 73 -5.100 2.145 -4.044 1.00 71.43 H new ATOM 1170 N TYR A 74 -0.100 8.729 -6.548 1.00 72.40 N ATOM 1171 CA TYR A 74 0.448 9.819 -5.761 1.00 21.44 C ATOM 1172 C TYR A 74 0.863 10.983 -6.650 1.00 14.02 C ATOM 1173 O TYR A 74 0.800 12.143 -6.237 1.00 70.11 O ATOM 1174 CB TYR A 74 1.621 9.348 -4.876 1.00 42.44 C ATOM 1175 CG TYR A 74 2.967 9.280 -5.567 1.00 52.43 C ATOM 1176 CD1 TYR A 74 3.364 8.146 -6.256 1.00 72.42 C ATOM 1177 CD2 TYR A 74 3.847 10.357 -5.515 1.00 31.24 C ATOM 1178 CE1 TYR A 74 4.598 8.085 -6.875 1.00 24.52 C ATOM 1179 CE2 TYR A 74 5.077 10.303 -6.131 1.00 23.24 C ATOM 1180 CZ TYR A 74 5.449 9.166 -6.809 1.00 60.54 C ATOM 1181 OH TYR A 74 6.679 9.109 -7.426 1.00 2.33 O ATOM 0 H TYR A 74 0.533 7.944 -6.701 1.00 72.40 H new ATOM 0 HA TYR A 74 -0.341 10.170 -5.096 1.00 21.44 H new ATOM 0 HB2 TYR A 74 1.703 10.021 -4.022 1.00 42.44 H new ATOM 0 HB3 TYR A 74 1.383 8.360 -4.482 1.00 42.44 H new ATOM 0 HD1 TYR A 74 2.699 7.297 -6.310 1.00 72.42 H new ATOM 0 HD2 TYR A 74 3.560 11.251 -4.982 1.00 31.24 H new ATOM 0 HE1 TYR A 74 4.894 7.194 -7.408 1.00 24.52 H new ATOM 0 HE2 TYR A 74 5.746 11.149 -6.082 1.00 23.24 H new ATOM 0 HH TYR A 74 7.155 9.954 -7.285 1.00 2.33 H new ATOM 1191 N GLU A 75 1.274 10.672 -7.874 1.00 53.15 N ATOM 1192 CA GLU A 75 1.688 11.697 -8.812 1.00 23.11 C ATOM 1193 C GLU A 75 0.522 12.615 -9.150 1.00 34.11 C ATOM 1194 O GLU A 75 0.578 13.810 -8.860 1.00 23.44 O ATOM 1195 CB GLU A 75 2.296 11.079 -10.065 1.00 5.53 C ATOM 1196 CG GLU A 75 3.559 10.289 -9.780 1.00 71.12 C ATOM 1197 CD GLU A 75 4.227 9.776 -11.028 1.00 44.45 C ATOM 1198 OE1 GLU A 75 3.839 8.698 -11.516 1.00 51.12 O ATOM 1199 OE2 GLU A 75 5.160 10.443 -11.522 1.00 21.21 O ATOM 0 H GLU A 75 1.328 9.720 -8.235 1.00 53.15 H new ATOM 0 HA GLU A 75 2.463 12.302 -8.340 1.00 23.11 H new ATOM 0 HB2 GLU A 75 1.562 10.424 -10.534 1.00 5.53 H new ATOM 0 HB3 GLU A 75 2.522 11.869 -10.781 1.00 5.53 H new ATOM 0 HG2 GLU A 75 4.260 10.920 -9.233 1.00 71.12 H new ATOM 0 HG3 GLU A 75 3.316 9.447 -9.132 1.00 71.12 H new ATOM 1206 N ARG A 76 -0.519 12.065 -9.797 1.00 61.15 N ATOM 1207 CA ARG A 76 -1.755 12.821 -10.080 1.00 72.25 C ATOM 1208 C ARG A 76 -2.237 13.667 -8.883 1.00 71.23 C ATOM 1209 O ARG A 76 -2.795 14.745 -9.074 1.00 14.13 O ATOM 1210 CB ARG A 76 -2.882 11.886 -10.552 1.00 72.33 C ATOM 1211 CG ARG A 76 -3.419 10.957 -9.476 1.00 44.31 C ATOM 1212 CD ARG A 76 -4.587 10.126 -9.984 1.00 63.43 C ATOM 1213 NE ARG A 76 -5.699 10.962 -10.461 1.00 3.44 N ATOM 1214 CZ ARG A 76 -6.975 10.833 -10.063 1.00 32.14 C ATOM 1215 NH1 ARG A 76 -7.302 9.961 -9.122 1.00 33.44 N ATOM 1216 NH2 ARG A 76 -7.917 11.596 -10.601 1.00 21.32 N ATOM 0 H ARG A 76 -0.531 11.102 -10.134 1.00 61.15 H new ATOM 0 HA ARG A 76 -1.503 13.515 -10.882 1.00 72.25 H new ATOM 0 HB2 ARG A 76 -3.703 12.492 -10.935 1.00 72.33 H new ATOM 0 HB3 ARG A 76 -2.514 11.285 -11.384 1.00 72.33 H new ATOM 0 HG2 ARG A 76 -2.622 10.296 -9.135 1.00 44.31 H new ATOM 0 HG3 ARG A 76 -3.737 11.543 -8.614 1.00 44.31 H new ATOM 0 HD2 ARG A 76 -4.246 9.481 -10.794 1.00 63.43 H new ATOM 0 HD3 ARG A 76 -4.941 9.474 -9.185 1.00 63.43 H new ATOM 0 HE ARG A 76 -5.486 11.691 -11.142 1.00 3.44 H new ATOM 0 HH11 ARG A 76 -6.582 9.380 -8.693 1.00 33.44 H new ATOM 0 HH12 ARG A 76 -8.274 9.870 -8.826 1.00 33.44 H new ATOM 0 HH21 ARG A 76 -7.672 12.280 -11.317 1.00 21.32 H new ATOM 0 HH22 ARG A 76 -8.886 11.498 -10.299 1.00 21.32 H new ATOM 1230 N GLU A 77 -2.026 13.183 -7.663 1.00 20.10 N ATOM 1231 CA GLU A 77 -2.435 13.934 -6.480 1.00 14.42 C ATOM 1232 C GLU A 77 -1.498 15.112 -6.225 1.00 32.35 C ATOM 1233 O GLU A 77 -1.942 16.208 -5.916 1.00 32.01 O ATOM 1234 CB GLU A 77 -2.483 13.038 -5.242 1.00 63.12 C ATOM 1235 CG GLU A 77 -3.504 11.920 -5.318 1.00 61.43 C ATOM 1236 CD GLU A 77 -4.899 12.415 -5.619 1.00 32.13 C ATOM 1237 OE1 GLU A 77 -5.509 13.075 -4.748 1.00 64.32 O ATOM 1238 OE2 GLU A 77 -5.396 12.147 -6.729 1.00 72.13 O ATOM 0 H GLU A 77 -1.580 12.286 -7.468 1.00 20.10 H new ATOM 0 HA GLU A 77 -3.437 14.316 -6.673 1.00 14.42 H new ATOM 0 HB2 GLU A 77 -1.496 12.602 -5.085 1.00 63.12 H new ATOM 0 HB3 GLU A 77 -2.702 13.655 -4.370 1.00 63.12 H new ATOM 0 HG2 GLU A 77 -3.202 11.211 -6.089 1.00 61.43 H new ATOM 0 HG3 GLU A 77 -3.513 11.378 -4.372 1.00 61.43 H new ATOM 1245 N MET A 78 -0.203 14.876 -6.370 1.00 44.20 N ATOM 1246 CA MET A 78 0.802 15.907 -6.122 1.00 15.30 C ATOM 1247 C MET A 78 0.796 16.987 -7.194 1.00 44.15 C ATOM 1248 O MET A 78 0.920 18.169 -6.888 1.00 70.00 O ATOM 1249 CB MET A 78 2.201 15.291 -6.005 1.00 62.53 C ATOM 1250 CG MET A 78 2.458 14.553 -4.695 1.00 34.13 C ATOM 1251 SD MET A 78 3.134 15.616 -3.382 1.00 63.32 S ATOM 1252 CE MET A 78 1.852 16.857 -3.190 1.00 63.41 C ATOM 0 H MET A 78 0.181 13.977 -6.659 1.00 44.20 H new ATOM 0 HA MET A 78 0.540 16.379 -5.175 1.00 15.30 H new ATOM 0 HB2 MET A 78 2.350 14.598 -6.833 1.00 62.53 H new ATOM 0 HB3 MET A 78 2.943 16.082 -6.114 1.00 62.53 H new ATOM 0 HG2 MET A 78 1.525 14.110 -4.348 1.00 34.13 H new ATOM 0 HG3 MET A 78 3.151 13.732 -4.880 1.00 34.13 H new ATOM 0 HE1 MET A 78 2.028 17.423 -2.275 1.00 63.41 H new ATOM 0 HE2 MET A 78 1.870 17.533 -4.045 1.00 63.41 H new ATOM 0 HE3 MET A 78 0.879 16.369 -3.133 1.00 63.41 H new ATOM 1262 N LYS A 79 0.637 16.584 -8.446 1.00 63.23 N ATOM 1263 CA LYS A 79 0.669 17.530 -9.561 1.00 53.35 C ATOM 1264 C LYS A 79 -0.510 18.507 -9.517 1.00 71.50 C ATOM 1265 O LYS A 79 -0.402 19.638 -9.982 1.00 43.35 O ATOM 1266 CB LYS A 79 0.707 16.787 -10.905 1.00 63.21 C ATOM 1267 CG LYS A 79 -0.515 15.924 -11.173 1.00 41.35 C ATOM 1268 CD LYS A 79 -0.364 15.096 -12.445 1.00 2.54 C ATOM 1269 CE LYS A 79 -0.195 15.968 -13.676 1.00 25.24 C ATOM 1270 NZ LYS A 79 -0.125 15.156 -14.915 1.00 42.42 N ATOM 0 H LYS A 79 0.485 15.613 -8.719 1.00 63.23 H new ATOM 0 HA LYS A 79 1.582 18.117 -9.461 1.00 53.35 H new ATOM 0 HB2 LYS A 79 0.806 17.517 -11.708 1.00 63.21 H new ATOM 0 HB3 LYS A 79 1.596 16.158 -10.935 1.00 63.21 H new ATOM 0 HG2 LYS A 79 -0.682 15.259 -10.326 1.00 41.35 H new ATOM 0 HG3 LYS A 79 -1.396 16.560 -11.257 1.00 41.35 H new ATOM 0 HD2 LYS A 79 0.498 14.436 -12.347 1.00 2.54 H new ATOM 0 HD3 LYS A 79 -1.240 14.460 -12.569 1.00 2.54 H new ATOM 0 HE2 LYS A 79 -1.029 16.667 -13.745 1.00 25.24 H new ATOM 0 HE3 LYS A 79 0.713 16.564 -13.579 1.00 25.24 H new ATOM 0 HZ1 LYS A 79 -0.010 15.784 -15.736 1.00 42.42 H new ATOM 0 HZ2 LYS A 79 0.686 14.507 -14.859 1.00 42.42 H new ATOM 0 HZ3 LYS A 79 -1.002 14.607 -15.020 1.00 42.42 H new ATOM 1284 N THR A 80 -1.625 18.074 -8.945 1.00 54.41 N ATOM 1285 CA THR A 80 -2.801 18.923 -8.856 1.00 11.43 C ATOM 1286 C THR A 80 -2.890 19.583 -7.474 1.00 52.53 C ATOM 1287 O THR A 80 -3.824 20.331 -7.189 1.00 74.11 O ATOM 1288 CB THR A 80 -4.106 18.124 -9.143 1.00 31.34 C ATOM 1289 OG1 THR A 80 -5.201 19.023 -9.364 1.00 64.33 O ATOM 1290 CG2 THR A 80 -4.450 17.196 -7.981 1.00 21.23 C ATOM 0 H THR A 80 -1.738 17.145 -8.538 1.00 54.41 H new ATOM 0 HA THR A 80 -2.700 19.697 -9.616 1.00 11.43 H new ATOM 0 HB THR A 80 -3.936 17.523 -10.036 1.00 31.34 H new ATOM 0 HG1 THR A 80 -5.135 19.778 -8.743 1.00 64.33 H new ATOM 0 HG21 THR A 80 -5.366 16.651 -8.209 1.00 21.23 H new ATOM 0 HG22 THR A 80 -3.635 16.488 -7.827 1.00 21.23 H new ATOM 0 HG23 THR A 80 -4.595 17.785 -7.075 1.00 21.23 H new ATOM 1298 N TYR A 81 -1.910 19.315 -6.632 1.00 21.24 N ATOM 1299 CA TYR A 81 -1.896 19.859 -5.290 1.00 52.34 C ATOM 1300 C TYR A 81 -0.869 20.972 -5.189 1.00 32.14 C ATOM 1301 O TYR A 81 0.304 20.776 -5.510 1.00 4.21 O ATOM 1302 CB TYR A 81 -1.576 18.757 -4.273 1.00 72.22 C ATOM 1303 CG TYR A 81 -1.848 19.138 -2.834 1.00 33.14 C ATOM 1304 CD1 TYR A 81 -0.867 19.731 -2.046 1.00 21.30 C ATOM 1305 CD2 TYR A 81 -3.088 18.896 -2.261 1.00 51.33 C ATOM 1306 CE1 TYR A 81 -1.119 20.070 -0.731 1.00 73.20 C ATOM 1307 CE2 TYR A 81 -3.346 19.231 -0.949 1.00 1.42 C ATOM 1308 CZ TYR A 81 -2.363 19.818 -0.189 1.00 12.44 C ATOM 1309 OH TYR A 81 -2.621 20.152 1.120 1.00 13.24 O ATOM 0 H TYR A 81 -1.111 18.722 -6.856 1.00 21.24 H new ATOM 0 HA TYR A 81 -2.883 20.266 -5.068 1.00 52.34 H new ATOM 0 HB2 TYR A 81 -2.162 17.871 -4.519 1.00 72.22 H new ATOM 0 HB3 TYR A 81 -0.526 18.482 -4.371 1.00 72.22 H new ATOM 0 HD1 TYR A 81 0.107 19.929 -2.469 1.00 21.30 H new ATOM 0 HD2 TYR A 81 -3.865 18.437 -2.854 1.00 51.33 H new ATOM 0 HE1 TYR A 81 -0.348 20.529 -0.131 1.00 73.20 H new ATOM 0 HE2 TYR A 81 -4.317 19.033 -0.520 1.00 1.42 H new ATOM 0 HH TYR A 81 -3.588 20.133 1.278 1.00 13.24 H new ATOM 1319 N ILE A 82 -1.311 22.138 -4.766 1.00 5.20 N ATOM 1320 CA ILE A 82 -0.419 23.270 -4.601 1.00 72.33 C ATOM 1321 C ILE A 82 0.195 23.246 -3.204 1.00 13.43 C ATOM 1322 O ILE A 82 -0.518 23.354 -2.202 1.00 23.24 O ATOM 1323 CB ILE A 82 -1.142 24.639 -4.830 1.00 71.20 C ATOM 1324 CG1 ILE A 82 -1.556 24.820 -6.303 1.00 52.43 C ATOM 1325 CG2 ILE A 82 -0.255 25.800 -4.390 1.00 44.21 C ATOM 1326 CD1 ILE A 82 -2.744 23.982 -6.730 1.00 13.12 C ATOM 0 H ILE A 82 -2.285 22.328 -4.529 1.00 5.20 H new ATOM 0 HA ILE A 82 0.360 23.179 -5.358 1.00 72.33 H new ATOM 0 HB ILE A 82 -2.046 24.635 -4.221 1.00 71.20 H new ATOM 0 HG12 ILE A 82 -1.788 25.871 -6.475 1.00 52.43 H new ATOM 0 HG13 ILE A 82 -0.706 24.573 -6.939 1.00 52.43 H new ATOM 0 HG21 ILE A 82 -0.778 26.741 -4.558 1.00 44.21 H new ATOM 0 HG22 ILE A 82 -0.022 25.699 -3.330 1.00 44.21 H new ATOM 0 HG23 ILE A 82 0.670 25.790 -4.967 1.00 44.21 H new ATOM 0 HD11 ILE A 82 -2.965 24.173 -7.780 1.00 13.12 H new ATOM 0 HD12 ILE A 82 -2.512 22.926 -6.594 1.00 13.12 H new ATOM 0 HD13 ILE A 82 -3.611 24.244 -6.123 1.00 13.12 H new ATOM 1338 N PRO A 83 1.518 23.073 -3.117 1.00 40.04 N ATOM 1339 CA PRO A 83 2.215 23.039 -1.844 1.00 20.32 C ATOM 1340 C PRO A 83 2.470 24.446 -1.301 1.00 73.23 C ATOM 1341 O PRO A 83 3.077 25.287 -1.981 1.00 23.12 O ATOM 1342 CB PRO A 83 3.533 22.344 -2.186 1.00 35.24 C ATOM 1343 CG PRO A 83 3.788 22.691 -3.616 1.00 44.32 C ATOM 1344 CD PRO A 83 2.437 22.889 -4.260 1.00 72.03 C ATOM 0 HA PRO A 83 1.644 22.530 -1.068 1.00 20.32 H new ATOM 0 HB2 PRO A 83 4.342 22.693 -1.544 1.00 35.24 H new ATOM 0 HB3 PRO A 83 3.459 21.265 -2.048 1.00 35.24 H new ATOM 0 HG2 PRO A 83 4.390 23.596 -3.693 1.00 44.32 H new ATOM 0 HG3 PRO A 83 4.342 21.896 -4.115 1.00 44.32 H new ATOM 0 HD2 PRO A 83 2.433 23.757 -4.919 1.00 72.03 H new ATOM 0 HD3 PRO A 83 2.154 22.028 -4.865 1.00 72.03 H new ATOM 1352 N PRO A 84 1.990 24.734 -0.080 1.00 14.45 N ATOM 1353 CA PRO A 84 2.188 26.033 0.549 1.00 22.12 C ATOM 1354 C PRO A 84 3.647 26.245 0.938 1.00 12.13 C ATOM 1355 O PRO A 84 4.123 25.719 1.954 1.00 51.30 O ATOM 1356 CB PRO A 84 1.292 25.984 1.791 1.00 65.44 C ATOM 1357 CG PRO A 84 1.132 24.533 2.091 1.00 5.44 C ATOM 1358 CD PRO A 84 1.214 23.814 0.772 1.00 35.41 C ATOM 0 HA PRO A 84 1.940 26.859 -0.118 1.00 22.12 H new ATOM 0 HB2 PRO A 84 1.748 26.513 2.628 1.00 65.44 H new ATOM 0 HB3 PRO A 84 0.328 26.457 1.602 1.00 65.44 H new ATOM 0 HG2 PRO A 84 1.912 24.189 2.770 1.00 5.44 H new ATOM 0 HG3 PRO A 84 0.177 24.341 2.579 1.00 5.44 H new ATOM 0 HD2 PRO A 84 1.709 22.848 0.873 1.00 35.41 H new ATOM 0 HD3 PRO A 84 0.224 23.623 0.358 1.00 35.41 H new ATOM 1366 N LYS A 85 4.359 26.990 0.118 1.00 72.25 N ATOM 1367 CA LYS A 85 5.762 27.244 0.349 1.00 51.40 C ATOM 1368 C LYS A 85 5.953 28.385 1.327 1.00 32.03 C ATOM 1369 O LYS A 85 5.783 29.555 0.978 1.00 24.03 O ATOM 1370 CB LYS A 85 6.487 27.552 -0.964 1.00 53.33 C ATOM 1371 CG LYS A 85 6.511 26.395 -1.956 1.00 4.43 C ATOM 1372 CD LYS A 85 7.337 25.217 -1.448 1.00 61.23 C ATOM 1373 CE LYS A 85 8.798 25.594 -1.229 1.00 4.45 C ATOM 1374 NZ LYS A 85 9.429 26.143 -2.458 1.00 32.44 N ATOM 0 H LYS A 85 3.983 27.433 -0.721 1.00 72.25 H new ATOM 0 HA LYS A 85 6.193 26.341 0.780 1.00 51.40 H new ATOM 0 HB2 LYS A 85 6.009 28.410 -1.436 1.00 53.33 H new ATOM 0 HB3 LYS A 85 7.513 27.843 -0.739 1.00 53.33 H new ATOM 0 HG2 LYS A 85 5.491 26.064 -2.150 1.00 4.43 H new ATOM 0 HG3 LYS A 85 6.920 26.741 -2.905 1.00 4.43 H new ATOM 0 HD2 LYS A 85 6.912 24.854 -0.512 1.00 61.23 H new ATOM 0 HD3 LYS A 85 7.278 24.397 -2.164 1.00 61.23 H new ATOM 0 HE2 LYS A 85 8.865 26.331 -0.429 1.00 4.45 H new ATOM 0 HE3 LYS A 85 9.352 24.715 -0.900 1.00 4.45 H new ATOM 0 HZ1 LYS A 85 10.458 26.210 -2.320 1.00 32.44 H new ATOM 0 HZ2 LYS A 85 9.228 25.515 -3.262 1.00 32.44 H new ATOM 0 HZ3 LYS A 85 9.044 27.089 -2.653 1.00 32.44 H new ATOM 1388 N GLY A 86 6.290 28.042 2.550 1.00 62.11 N ATOM 1389 CA GLY A 86 6.545 29.045 3.551 1.00 71.55 C ATOM 1390 C GLY A 86 7.991 29.468 3.537 1.00 32.52 C ATOM 1391 O GLY A 86 8.366 30.457 4.168 1.00 74.14 O ATOM 0 H GLY A 86 6.393 27.079 2.872 1.00 62.11 H new ATOM 0 HA2 GLY A 86 5.908 29.911 3.373 1.00 71.55 H new ATOM 0 HA3 GLY A 86 6.286 28.655 4.535 1.00 71.55 H new ATOM 1395 N GLU A 87 8.800 28.717 2.803 1.00 21.34 N ATOM 1396 CA GLU A 87 10.220 28.983 2.693 1.00 32.12 C ATOM 1397 C GLU A 87 10.548 29.556 1.319 1.00 45.11 C ATOM 1398 O GLU A 87 10.905 28.776 0.414 1.00 0.00 O ATOM 1399 CB GLU A 87 11.008 27.693 2.920 1.00 55.43 C ATOM 1400 CG GLU A 87 10.652 26.990 4.211 1.00 2.53 C ATOM 1401 CD GLU A 87 11.416 25.707 4.412 1.00 21.30 C ATOM 1402 OE1 GLU A 87 11.097 24.708 3.738 1.00 52.21 O ATOM 1403 OE2 GLU A 87 12.337 25.687 5.257 1.00 54.35 O ATOM 1404 OXT GLU A 87 10.440 30.787 1.143 1.00 0.00 O ATOM 0 H GLU A 87 8.486 27.907 2.268 1.00 21.34 H new ATOM 0 HA GLU A 87 10.500 29.714 3.452 1.00 32.12 H new ATOM 0 HB2 GLU A 87 10.830 27.015 2.085 1.00 55.43 H new ATOM 0 HB3 GLU A 87 12.074 27.923 2.922 1.00 55.43 H new ATOM 0 HG2 GLU A 87 10.849 27.659 5.049 1.00 2.53 H new ATOM 0 HG3 GLU A 87 9.583 26.775 4.219 1.00 2.53 H new TER 1411 GLU A 87