USER MOD reduce.3.24.130724 H: found=0, std=0, add=1030, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1030 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: B 23 SER OG : rot 117:sc= -0.367 USER MOD Set 1.2: B 74 LYS NZ :NH3+ -166:sc= 0.393 (180deg=0.227) USER MOD Set 2.1: B 20 THR OG1 : rot 57:sc= -2.97! USER MOD Set 2.2: B 68 SER OG : rot -95:sc= -1.95 USER MOD Set 3.1: B 21 GLN :FLIP amide:sc= -5.58! C(o=-16!,f=-12!) USER MOD Set 3.2: B 24 SER OG : rot -152:sc= -6.16! USER MOD Set 4.1: B 12 TYR OH : rot -174:sc= 0.163 USER MOD Set 4.2: B 67 SER OG : rot -134:sc= -0.901! USER MOD Set 5.1: A 23 SER OG : rot 115:sc= -0.277 USER MOD Set 5.2: A 74 LYS NZ :NH3+ -169:sc= 0.394 (180deg=0.23) USER MOD Set 6.1: A 21 GLN :FLIP amide:sc= -5.33! C(o=-16!,f=-11!) USER MOD Set 6.2: A 24 SER OG : rot -157:sc= -6.01! USER MOD Set 7.1: A 20 THR OG1 : rot 76:sc= -3.09! USER MOD Set 7.2: A 68 SER OG : rot -98:sc= -2.04 USER MOD Set 8.1: A 12 TYR OH : rot -171:sc= 0.165 USER MOD Set 8.2: A 67 SER OG : rot -132:sc= -1.16! USER MOD Single : A 1 ASP N :NH3+ -160:sc= 0 (180deg=-0.0817) USER MOD Single : A 2 GLN : amide:sc= -3.02 K(o=-3,f=-5.5!) USER MOD Single : A 4 SER OG : rot -21:sc= 0.576 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN :FLIP amide:sc= -15.3! C(o=-21!,f=-15!) USER MOD Single : A 27 ASN :FLIP amide:sc= -0.475 F(o=-4.6!,f=-0.48) USER MOD Single : A 35 SER OG : rot 76:sc= 0.346 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -36:sc= -2.04! USER MOD Single : A 40 SER OG : rot 40:sc= 0.15 USER MOD Single : A 41 SER OG : rot 109:sc= 1.2 USER MOD Single : A 64 THR OG1 : rot -52:sc= 0.0421 USER MOD Single : A 66 THR OG1 : rot 149:sc= -4.48! USER MOD Single : A 70 THR OG1 : rot -154:sc= 2.04 USER MOD Single : B 1 ASP N :NH3+ -160:sc= 0 (180deg=-0.0803) USER MOD Single : B 2 GLN : amide:sc= -3.04 K(o=-3,f=-5.3!) USER MOD Single : B 4 SER OG : rot -21:sc= 0.523 USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 13 ASN :FLIP amide:sc= -15.5! C(o=-22!,f=-15!) USER MOD Single : B 27 ASN :FLIP amide:sc= -0.428 F(o=-4.7!,f=-0.43) USER MOD Single : B 35 SER OG : rot 76:sc= 0.342 USER MOD Single : B 36 SER OG : rot 180:sc= 0 USER MOD Single : B 38 SER OG : rot -0:sc= -1.61! USER MOD Single : B 40 SER OG : rot 31:sc= 0.117 USER MOD Single : B 41 SER OG : rot 112:sc= 1.29 USER MOD Single : B 64 THR OG1 : rot -50:sc= 0.0501 USER MOD Single : B 66 THR OG1 : rot 139:sc= -4.42! USER MOD Single : B 70 THR OG1 : rot -153:sc= 1.99 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -8.903 12.468 1.271 1.00 0.00 N ATOM 2 CA ASP A 1 -8.520 13.212 0.045 1.00 0.00 C ATOM 3 C ASP A 1 -8.808 12.385 -1.204 1.00 0.00 C ATOM 4 O ASP A 1 -7.920 11.716 -1.734 1.00 0.00 O ATOM 5 CB ASP A 1 -7.034 13.580 0.096 1.00 0.00 C ATOM 6 CG ASP A 1 -6.617 14.471 -1.057 1.00 0.00 C ATOM 7 OD1 ASP A 1 -6.228 13.932 -2.114 1.00 0.00 O ATOM 8 OD2 ASP A 1 -6.679 15.709 -0.902 1.00 0.00 O ATOM 0 H1 ASP A 1 -9.024 13.136 2.059 1.00 0.00 H new ATOM 0 H2 ASP A 1 -9.797 11.962 1.105 1.00 0.00 H new ATOM 0 H3 ASP A 1 -8.157 11.783 1.509 1.00 0.00 H new ATOM 0 HA ASP A 1 -9.115 14.124 -0.001 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -6.820 14.086 1.038 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -6.437 12.668 0.081 1.00 0.00 H new ATOM 15 N GLN A 2 -10.053 12.435 -1.668 1.00 0.00 N ATOM 16 CA GLN A 2 -10.456 11.684 -2.853 1.00 0.00 C ATOM 17 C GLN A 2 -11.830 12.134 -3.353 1.00 0.00 C ATOM 18 O GLN A 2 -12.719 12.431 -2.553 1.00 0.00 O ATOM 19 CB GLN A 2 -10.494 10.184 -2.536 1.00 0.00 C ATOM 20 CG GLN A 2 -11.450 9.820 -1.411 1.00 0.00 C ATOM 21 CD GLN A 2 -12.897 9.746 -1.860 1.00 0.00 C ATOM 22 OE1 GLN A 2 -13.186 9.406 -3.005 1.00 0.00 O ATOM 23 NE2 GLN A 2 -13.813 10.070 -0.956 1.00 0.00 N ATOM 0 H GLN A 2 -10.799 12.986 -1.243 1.00 0.00 H new ATOM 0 HA GLN A 2 -9.723 11.876 -3.637 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -10.781 9.639 -3.435 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -9.490 9.853 -2.269 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -11.157 8.858 -0.990 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -11.361 10.558 -0.613 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -13.527 10.347 -0.017 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -14.803 10.042 -1.200 1.00 0.00 H new ATOM 32 N PRO A 3 -12.022 12.208 -4.684 1.00 0.00 N ATOM 33 CA PRO A 3 -13.294 12.591 -5.280 1.00 0.00 C ATOM 34 C PRO A 3 -14.189 11.374 -5.503 1.00 0.00 C ATOM 35 O PRO A 3 -15.412 11.488 -5.577 1.00 0.00 O ATOM 36 CB PRO A 3 -12.887 13.212 -6.626 1.00 0.00 C ATOM 37 CG PRO A 3 -11.431 12.891 -6.824 1.00 0.00 C ATOM 38 CD PRO A 3 -11.020 11.951 -5.721 1.00 0.00 C ATOM 0 HA PRO A 3 -13.865 13.270 -4.647 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -13.488 12.804 -7.439 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -13.049 14.290 -6.620 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.269 12.432 -7.799 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -10.831 13.800 -6.796 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.035 10.912 -6.049 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -10.010 12.159 -5.368 1.00 0.00 H new ATOM 46 N SER A 4 -13.551 10.212 -5.599 1.00 0.00 N ATOM 47 CA SER A 4 -14.238 8.942 -5.812 1.00 0.00 C ATOM 48 C SER A 4 -13.281 7.803 -5.518 1.00 0.00 C ATOM 49 O SER A 4 -12.145 8.042 -5.126 1.00 0.00 O ATOM 50 CB SER A 4 -14.727 8.824 -7.254 1.00 0.00 C ATOM 51 OG SER A 4 -15.494 9.952 -7.637 1.00 0.00 O ATOM 0 H SER A 4 -12.537 10.124 -5.531 1.00 0.00 H new ATOM 0 HA SER A 4 -15.100 8.896 -5.146 1.00 0.00 H new ATOM 0 HB2 SER A 4 -13.872 8.721 -7.922 1.00 0.00 H new ATOM 0 HB3 SER A 4 -15.327 7.921 -7.363 1.00 0.00 H new ATOM 0 HG SER A 4 -15.840 10.399 -6.837 1.00 0.00 H new ATOM 57 N VAL A 5 -13.730 6.570 -5.695 1.00 0.00 N ATOM 58 CA VAL A 5 -12.865 5.429 -5.452 1.00 0.00 C ATOM 59 C VAL A 5 -11.888 5.251 -6.615 1.00 0.00 C ATOM 60 O VAL A 5 -10.682 5.123 -6.408 1.00 0.00 O ATOM 61 CB VAL A 5 -13.665 4.121 -5.221 1.00 0.00 C ATOM 62 CG1 VAL A 5 -15.133 4.421 -4.937 1.00 0.00 C ATOM 63 CG2 VAL A 5 -13.505 3.152 -6.391 1.00 0.00 C ATOM 0 H VAL A 5 -14.674 6.337 -6.002 1.00 0.00 H new ATOM 0 HA VAL A 5 -12.310 5.634 -4.537 1.00 0.00 H new ATOM 0 HB VAL A 5 -13.252 3.630 -4.340 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -15.671 3.487 -4.779 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -15.212 5.041 -4.044 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -15.567 4.950 -5.785 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -14.079 2.247 -6.195 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -13.869 3.622 -7.305 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -12.452 2.895 -6.510 1.00 0.00 H new ATOM 73 N GLY A 6 -12.417 5.255 -7.841 1.00 0.00 N ATOM 74 CA GLY A 6 -11.575 5.094 -9.012 1.00 0.00 C ATOM 75 C GLY A 6 -10.665 6.287 -9.212 1.00 0.00 C ATOM 76 O GLY A 6 -9.475 6.132 -9.498 1.00 0.00 O ATOM 0 H GLY A 6 -13.411 5.367 -8.040 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -10.974 4.191 -8.907 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -12.200 4.960 -9.895 1.00 0.00 H new ATOM 80 N ASP A 7 -11.223 7.483 -9.055 1.00 0.00 N ATOM 81 CA ASP A 7 -10.447 8.708 -9.198 1.00 0.00 C ATOM 82 C ASP A 7 -9.402 8.775 -8.102 1.00 0.00 C ATOM 83 O ASP A 7 -8.294 9.269 -8.310 1.00 0.00 O ATOM 84 CB ASP A 7 -11.357 9.934 -9.123 1.00 0.00 C ATOM 85 CG ASP A 7 -12.265 10.059 -10.331 1.00 0.00 C ATOM 86 OD1 ASP A 7 -11.809 10.590 -11.364 1.00 0.00 O ATOM 87 OD2 ASP A 7 -13.434 9.625 -10.243 1.00 0.00 O ATOM 0 H ASP A 7 -12.207 7.629 -8.829 1.00 0.00 H new ATOM 0 HA ASP A 7 -9.957 8.702 -10.171 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -11.965 9.876 -8.220 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -10.745 10.832 -9.038 1.00 0.00 H new ATOM 92 N ALA A 8 -9.777 8.276 -6.930 1.00 0.00 N ATOM 93 CA ALA A 8 -8.877 8.246 -5.792 1.00 0.00 C ATOM 94 C ALA A 8 -7.573 7.597 -6.188 1.00 0.00 C ATOM 95 O ALA A 8 -6.495 8.146 -5.966 1.00 0.00 O ATOM 96 CB ALA A 8 -9.492 7.455 -4.662 1.00 0.00 C ATOM 0 H ALA A 8 -10.702 7.886 -6.746 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.698 9.270 -5.465 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -8.807 7.440 -3.814 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.431 7.919 -4.362 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -9.682 6.434 -4.994 1.00 0.00 H new ATOM 102 N PHE A 9 -7.693 6.412 -6.773 1.00 0.00 N ATOM 103 CA PHE A 9 -6.544 5.663 -7.214 1.00 0.00 C ATOM 104 C PHE A 9 -5.629 6.540 -8.052 1.00 0.00 C ATOM 105 O PHE A 9 -4.471 6.704 -7.714 1.00 0.00 O ATOM 106 CB PHE A 9 -6.988 4.429 -7.984 1.00 0.00 C ATOM 107 CG PHE A 9 -7.160 3.250 -7.088 1.00 0.00 C ATOM 108 CD1 PHE A 9 -6.105 2.396 -6.829 1.00 0.00 C ATOM 109 CD2 PHE A 9 -8.375 3.014 -6.480 1.00 0.00 C ATOM 110 CE1 PHE A 9 -6.264 1.328 -5.975 1.00 0.00 C ATOM 111 CE2 PHE A 9 -8.540 1.946 -5.632 1.00 0.00 C ATOM 112 CZ PHE A 9 -7.486 1.104 -5.375 1.00 0.00 C ATOM 0 H PHE A 9 -8.587 5.953 -6.950 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.979 5.332 -6.343 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.928 4.638 -8.495 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.252 4.196 -8.754 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -5.148 2.568 -7.300 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -9.206 3.676 -6.673 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.434 0.667 -5.775 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -9.499 1.768 -5.167 1.00 0.00 H new ATOM 0 HZ PHE A 9 -7.614 0.267 -4.704 1.00 0.00 H new ATOM 122 N ASP A 10 -6.169 7.182 -9.087 1.00 0.00 N ATOM 123 CA ASP A 10 -5.347 8.028 -9.958 1.00 0.00 C ATOM 124 C ASP A 10 -4.410 8.883 -9.113 1.00 0.00 C ATOM 125 O ASP A 10 -3.206 8.974 -9.380 1.00 0.00 O ATOM 126 CB ASP A 10 -6.235 8.920 -10.827 1.00 0.00 C ATOM 127 CG ASP A 10 -5.434 9.756 -11.806 1.00 0.00 C ATOM 128 OD1 ASP A 10 -4.989 10.857 -11.420 1.00 0.00 O ATOM 129 OD2 ASP A 10 -5.254 9.310 -12.958 1.00 0.00 O ATOM 0 H ASP A 10 -7.155 7.136 -9.342 1.00 0.00 H new ATOM 0 HA ASP A 10 -4.754 7.389 -10.612 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.941 8.299 -11.377 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.822 9.578 -10.186 1.00 0.00 H new ATOM 134 N LYS A 11 -4.976 9.476 -8.074 1.00 0.00 N ATOM 135 CA LYS A 11 -4.216 10.305 -7.150 1.00 0.00 C ATOM 136 C LYS A 11 -3.178 9.457 -6.428 1.00 0.00 C ATOM 137 O LYS A 11 -2.005 9.816 -6.340 1.00 0.00 O ATOM 138 CB LYS A 11 -5.151 10.942 -6.133 1.00 0.00 C ATOM 139 CG LYS A 11 -4.519 12.062 -5.361 1.00 0.00 C ATOM 140 CD LYS A 11 -5.108 13.331 -5.856 1.00 0.00 C ATOM 141 CE LYS A 11 -4.232 14.536 -5.553 1.00 0.00 C ATOM 142 NZ LYS A 11 -4.916 15.816 -5.882 1.00 0.00 N ATOM 0 H LYS A 11 -5.968 9.398 -7.848 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.711 11.090 -7.713 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.034 11.319 -6.649 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.492 10.177 -5.435 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.704 11.944 -4.293 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.438 12.061 -5.499 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.263 13.260 -6.933 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.088 13.475 -5.401 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.960 14.531 -4.498 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.305 14.463 -6.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.286 16.613 -5.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.153 15.833 -6.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.788 15.898 -5.321 1.00 0.00 H new ATOM 156 N TYR A 12 -3.641 8.322 -5.913 1.00 0.00 N ATOM 157 CA TYR A 12 -2.796 7.383 -5.195 1.00 0.00 C ATOM 158 C TYR A 12 -1.639 6.913 -6.032 1.00 0.00 C ATOM 159 O TYR A 12 -0.491 7.103 -5.680 1.00 0.00 O ATOM 160 CB TYR A 12 -3.572 6.131 -4.812 1.00 0.00 C ATOM 161 CG TYR A 12 -2.828 5.273 -3.805 1.00 0.00 C ATOM 162 CD1 TYR A 12 -1.989 5.853 -2.854 1.00 0.00 C ATOM 163 CD2 TYR A 12 -2.949 3.888 -3.806 1.00 0.00 C ATOM 164 CE1 TYR A 12 -1.299 5.082 -1.941 1.00 0.00 C ATOM 165 CE2 TYR A 12 -2.260 3.115 -2.896 1.00 0.00 C ATOM 166 CZ TYR A 12 -1.436 3.713 -1.968 1.00 0.00 C ATOM 167 OH TYR A 12 -0.749 2.938 -1.061 1.00 0.00 O ATOM 0 H TYR A 12 -4.616 8.030 -5.984 1.00 0.00 H new ATOM 0 HA TYR A 12 -2.442 7.921 -4.316 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -4.538 6.419 -4.397 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -3.773 5.543 -5.708 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -1.877 6.927 -2.832 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -3.592 3.411 -4.530 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -0.656 5.550 -1.210 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -2.366 2.040 -2.911 1.00 0.00 H new ATOM 0 HH TYR A 12 -0.840 1.993 -1.303 1.00 0.00 H new ATOM 177 N ASN A 13 -1.982 6.314 -7.154 1.00 0.00 N ATOM 178 CA ASN A 13 -1.017 5.724 -8.060 1.00 0.00 C ATOM 179 C ASN A 13 0.232 6.564 -8.186 1.00 0.00 C ATOM 180 O ASN A 13 1.333 6.090 -7.918 1.00 0.00 O ATOM 181 CB ASN A 13 -1.630 5.554 -9.441 1.00 0.00 C ATOM 182 CG ASN A 13 -3.114 5.212 -9.428 1.00 0.00 C ATOM 183 OD1 ASN A 13 -3.604 4.614 -8.342 1.00 0.00 O flip ATOM 184 ND2 ASN A 13 -3.822 5.484 -10.397 1.00 0.00 N flip ATOM 0 H ASN A 13 -2.949 6.222 -7.466 1.00 0.00 H new ATOM 0 HA ASN A 13 -0.742 4.755 -7.643 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -1.486 6.475 -10.006 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.092 4.768 -9.971 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.416 5.942 -11.213 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.815 5.252 -10.384 1.00 0.00 H new ATOM 191 N GLU A 14 0.072 7.804 -8.599 1.00 0.00 N ATOM 192 CA GLU A 14 1.220 8.682 -8.736 1.00 0.00 C ATOM 193 C GLU A 14 1.985 8.733 -7.408 1.00 0.00 C ATOM 194 O GLU A 14 3.215 8.688 -7.369 1.00 0.00 O ATOM 195 CB GLU A 14 0.752 10.082 -9.147 1.00 0.00 C ATOM 196 CG GLU A 14 0.432 10.980 -7.968 1.00 0.00 C ATOM 197 CD GLU A 14 -0.501 12.119 -8.332 1.00 0.00 C ATOM 198 OE1 GLU A 14 -1.731 11.915 -8.286 1.00 0.00 O ATOM 199 OE2 GLU A 14 0.001 13.214 -8.663 1.00 0.00 O ATOM 0 H GLU A 14 -0.825 8.224 -8.843 1.00 0.00 H new ATOM 0 HA GLU A 14 1.887 8.300 -9.509 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.526 10.553 -9.753 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.134 9.991 -9.776 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.022 10.384 -7.176 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.359 11.390 -7.567 1.00 0.00 H new ATOM 206 N ALA A 15 1.218 8.758 -6.324 1.00 0.00 N ATOM 207 CA ALA A 15 1.749 8.848 -4.969 1.00 0.00 C ATOM 208 C ALA A 15 2.363 7.549 -4.463 1.00 0.00 C ATOM 209 O ALA A 15 3.363 7.572 -3.752 1.00 0.00 O ATOM 210 CB ALA A 15 0.624 9.250 -4.028 1.00 0.00 C ATOM 0 H ALA A 15 0.200 8.716 -6.362 1.00 0.00 H new ATOM 0 HA ALA A 15 2.548 9.589 -4.994 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.009 9.321 -3.011 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.223 10.217 -4.332 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.167 8.501 -4.066 1.00 0.00 H new ATOM 216 N VAL A 16 1.779 6.416 -4.817 1.00 0.00 N ATOM 217 CA VAL A 16 2.265 5.157 -4.307 1.00 0.00 C ATOM 218 C VAL A 16 3.356 4.596 -5.146 1.00 0.00 C ATOM 219 O VAL A 16 4.375 4.132 -4.636 1.00 0.00 O ATOM 220 CB VAL A 16 1.134 4.138 -4.126 1.00 0.00 C ATOM 221 CG1 VAL A 16 0.146 4.224 -5.267 1.00 0.00 C ATOM 222 CG2 VAL A 16 1.679 2.726 -3.975 1.00 0.00 C ATOM 0 H VAL A 16 0.979 6.348 -5.447 1.00 0.00 H new ATOM 0 HA VAL A 16 2.684 5.366 -3.323 1.00 0.00 H new ATOM 0 HB VAL A 16 0.607 4.384 -3.204 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.647 3.492 -5.117 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.285 5.225 -5.300 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.657 4.018 -6.207 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.851 2.028 -3.849 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.247 2.458 -4.866 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.330 2.679 -3.102 1.00 0.00 H new ATOM 232 N ARG A 17 3.142 4.631 -6.426 1.00 0.00 N ATOM 233 CA ARG A 17 4.116 4.118 -7.328 1.00 0.00 C ATOM 234 C ARG A 17 5.454 4.754 -7.095 1.00 0.00 C ATOM 235 O ARG A 17 6.496 4.090 -7.143 1.00 0.00 O ATOM 236 CB ARG A 17 3.620 4.249 -8.760 1.00 0.00 C ATOM 237 CG ARG A 17 2.372 3.426 -9.031 1.00 0.00 C ATOM 238 CD ARG A 17 2.243 2.238 -8.087 1.00 0.00 C ATOM 239 NE ARG A 17 0.956 2.174 -7.474 1.00 0.00 N ATOM 240 CZ ARG A 17 0.690 1.353 -6.504 1.00 0.00 C ATOM 241 NH1 ARG A 17 1.486 0.334 -6.244 1.00 0.00 N ATOM 242 NH2 ARG A 17 -0.397 1.516 -5.824 1.00 0.00 N ATOM 0 H ARG A 17 2.302 5.009 -6.865 1.00 0.00 H new ATOM 0 HA ARG A 17 4.261 3.054 -7.142 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.411 5.297 -8.972 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.410 3.937 -9.443 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.492 4.062 -8.932 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.393 3.068 -10.060 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.427 1.316 -8.639 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.009 2.305 -7.314 1.00 0.00 H new ATOM 0 HE ARG A 17 0.219 2.795 -7.810 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.322 0.183 -6.808 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.265 -0.303 -5.479 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.032 2.281 -6.052 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.620 0.879 -5.059 1.00 0.00 H new ATOM 256 N VAL A 18 5.441 6.015 -6.774 1.00 0.00 N ATOM 257 CA VAL A 18 6.675 6.681 -6.517 1.00 0.00 C ATOM 258 C VAL A 18 7.224 6.263 -5.163 1.00 0.00 C ATOM 259 O VAL A 18 8.376 5.891 -5.057 1.00 0.00 O ATOM 260 CB VAL A 18 6.508 8.207 -6.565 1.00 0.00 C ATOM 261 CG1 VAL A 18 5.994 8.628 -7.932 1.00 0.00 C ATOM 262 CG2 VAL A 18 5.568 8.677 -5.461 1.00 0.00 C ATOM 0 H VAL A 18 4.604 6.591 -6.686 1.00 0.00 H new ATOM 0 HA VAL A 18 7.379 6.392 -7.297 1.00 0.00 H new ATOM 0 HB VAL A 18 7.478 8.675 -6.400 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.878 9.711 -7.959 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.705 8.320 -8.699 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.030 8.155 -8.120 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.462 9.761 -5.511 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.592 8.210 -5.591 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.978 8.397 -4.491 1.00 0.00 H new ATOM 272 N PHE A 19 6.352 6.187 -4.165 1.00 0.00 N ATOM 273 CA PHE A 19 6.781 5.910 -2.802 1.00 0.00 C ATOM 274 C PHE A 19 7.389 4.515 -2.601 1.00 0.00 C ATOM 275 O PHE A 19 8.429 4.373 -1.932 1.00 0.00 O ATOM 276 CB PHE A 19 5.620 6.243 -1.816 1.00 0.00 C ATOM 277 CG PHE A 19 4.627 5.156 -1.438 1.00 0.00 C ATOM 278 CD1 PHE A 19 5.012 3.869 -1.134 1.00 0.00 C ATOM 279 CD2 PHE A 19 3.282 5.464 -1.371 1.00 0.00 C ATOM 280 CE1 PHE A 19 4.082 2.907 -0.791 1.00 0.00 C ATOM 281 CE2 PHE A 19 2.344 4.509 -1.028 1.00 0.00 C ATOM 282 CZ PHE A 19 2.746 3.227 -0.743 1.00 0.00 C ATOM 0 H PHE A 19 5.346 6.313 -4.275 1.00 0.00 H new ATOM 0 HA PHE A 19 7.620 6.568 -2.576 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.070 6.610 -0.894 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.053 7.069 -2.245 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.059 3.607 -1.164 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.957 6.470 -1.591 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.405 1.903 -0.560 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.297 4.770 -0.984 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.016 2.474 -0.483 1.00 0.00 H new ATOM 292 N THR A 20 6.820 3.484 -3.210 1.00 0.00 N ATOM 293 CA THR A 20 7.347 2.157 -2.961 1.00 0.00 C ATOM 294 C THR A 20 8.586 1.858 -3.778 1.00 0.00 C ATOM 295 O THR A 20 9.601 1.453 -3.211 1.00 0.00 O ATOM 296 CB THR A 20 6.308 1.056 -3.150 1.00 0.00 C ATOM 297 OG1 THR A 20 5.493 0.971 -1.992 1.00 0.00 O ATOM 298 CG2 THR A 20 6.978 -0.278 -3.408 1.00 0.00 C ATOM 0 H THR A 20 6.029 3.536 -3.852 1.00 0.00 H new ATOM 0 HA THR A 20 7.632 2.162 -1.909 1.00 0.00 H new ATOM 0 HB THR A 20 5.692 1.302 -4.015 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.859 1.718 -1.982 1.00 0.00 H new ATOM 0 HG21 THR A 20 6.218 -1.048 -3.540 1.00 0.00 H new ATOM 0 HG22 THR A 20 7.587 -0.211 -4.310 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.613 -0.536 -2.560 1.00 0.00 H new ATOM 306 N GLN A 21 8.540 2.039 -5.097 1.00 0.00 N ATOM 307 CA GLN A 21 9.735 1.763 -5.862 1.00 0.00 C ATOM 308 C GLN A 21 10.810 2.743 -5.436 1.00 0.00 C ATOM 309 O GLN A 21 11.975 2.571 -5.755 1.00 0.00 O ATOM 310 CB GLN A 21 9.494 1.784 -7.375 1.00 0.00 C ATOM 311 CG GLN A 21 9.019 0.435 -7.946 1.00 0.00 C ATOM 312 CD GLN A 21 9.613 -0.760 -7.247 1.00 0.00 C ATOM 313 OE1 GLN A 21 8.943 -1.210 -6.190 1.00 0.00 O flip ATOM 314 NE2 GLN A 21 10.658 -1.276 -7.648 1.00 0.00 N flip ATOM 0 H GLN A 21 7.730 2.359 -5.628 1.00 0.00 H new ATOM 0 HA GLN A 21 10.063 0.745 -5.650 1.00 0.00 H new ATOM 0 HB2 GLN A 21 8.751 2.547 -7.605 1.00 0.00 H new ATOM 0 HB3 GLN A 21 10.417 2.076 -7.877 1.00 0.00 H new ATOM 0 HG2 GLN A 21 7.932 0.383 -7.876 1.00 0.00 H new ATOM 0 HG3 GLN A 21 9.273 0.389 -9.005 1.00 0.00 H new ATOM 0 HE21 GLN A 21 11.135 -0.893 -8.464 1.00 0.00 H new ATOM 0 HE22 GLN A 21 11.046 -2.086 -7.164 1.00 0.00 H new ATOM 323 N LEU A 22 10.413 3.782 -4.698 1.00 0.00 N ATOM 324 CA LEU A 22 11.388 4.724 -4.180 1.00 0.00 C ATOM 325 C LEU A 22 12.349 3.941 -3.314 1.00 0.00 C ATOM 326 O LEU A 22 13.565 4.101 -3.406 1.00 0.00 O ATOM 327 CB LEU A 22 10.744 5.835 -3.331 1.00 0.00 C ATOM 328 CG LEU A 22 10.411 7.163 -4.043 1.00 0.00 C ATOM 329 CD1 LEU A 22 11.095 8.317 -3.339 1.00 0.00 C ATOM 330 CD2 LEU A 22 10.787 7.143 -5.525 1.00 0.00 C ATOM 0 H LEU A 22 9.444 3.984 -4.453 1.00 0.00 H new ATOM 0 HA LEU A 22 11.885 5.211 -5.019 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.822 5.441 -2.902 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.413 6.056 -2.500 1.00 0.00 H new ATOM 0 HG LEU A 22 9.330 7.295 -3.992 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.853 9.249 -3.849 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.750 8.369 -2.306 1.00 0.00 H new ATOM 0 HD13 LEU A 22 12.174 8.164 -3.354 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.532 8.101 -5.978 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.858 6.968 -5.626 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.240 6.346 -6.029 1.00 0.00 H new ATOM 342 N SER A 23 11.781 3.072 -2.476 1.00 0.00 N ATOM 343 CA SER A 23 12.598 2.242 -1.595 1.00 0.00 C ATOM 344 C SER A 23 13.372 1.157 -2.365 1.00 0.00 C ATOM 345 O SER A 23 14.584 1.008 -2.181 1.00 0.00 O ATOM 346 CB SER A 23 11.741 1.612 -0.491 1.00 0.00 C ATOM 347 OG SER A 23 11.465 2.554 0.532 1.00 0.00 O ATOM 0 H SER A 23 10.775 2.927 -2.390 1.00 0.00 H new ATOM 0 HA SER A 23 13.336 2.899 -1.135 1.00 0.00 H new ATOM 0 HB2 SER A 23 10.806 1.245 -0.915 1.00 0.00 H new ATOM 0 HB3 SER A 23 12.259 0.751 -0.069 1.00 0.00 H new ATOM 0 HG SER A 23 10.502 2.735 0.559 1.00 0.00 H new ATOM 353 N SER A 24 12.692 0.399 -3.229 1.00 0.00 N ATOM 354 CA SER A 24 13.361 -0.665 -3.981 1.00 0.00 C ATOM 355 C SER A 24 14.302 -0.114 -5.036 1.00 0.00 C ATOM 356 O SER A 24 15.476 -0.482 -5.071 1.00 0.00 O ATOM 357 CB SER A 24 12.351 -1.592 -4.633 1.00 0.00 C ATOM 358 OG SER A 24 11.310 -0.851 -5.225 1.00 0.00 O ATOM 0 H SER A 24 11.696 0.499 -3.423 1.00 0.00 H new ATOM 0 HA SER A 24 13.953 -1.230 -3.260 1.00 0.00 H new ATOM 0 HB2 SER A 24 12.845 -2.204 -5.388 1.00 0.00 H new ATOM 0 HB3 SER A 24 11.941 -2.274 -3.888 1.00 0.00 H new ATOM 0 HG SER A 24 10.513 -1.415 -5.308 1.00 0.00 H new ATOM 364 N ALA A 25 13.785 0.747 -5.911 1.00 0.00 N ATOM 365 CA ALA A 25 14.613 1.346 -6.944 1.00 0.00 C ATOM 366 C ALA A 25 15.877 1.873 -6.291 1.00 0.00 C ATOM 367 O ALA A 25 16.954 1.867 -6.882 1.00 0.00 O ATOM 368 CB ALA A 25 13.867 2.464 -7.674 1.00 0.00 C ATOM 0 H ALA A 25 12.808 1.040 -5.922 1.00 0.00 H new ATOM 0 HA ALA A 25 14.866 0.595 -7.693 1.00 0.00 H new ATOM 0 HB1 ALA A 25 14.513 2.892 -8.441 1.00 0.00 H new ATOM 0 HB2 ALA A 25 12.970 2.058 -8.141 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.586 3.240 -6.961 1.00 0.00 H new ATOM 374 N ALA A 26 15.722 2.291 -5.037 1.00 0.00 N ATOM 375 CA ALA A 26 16.831 2.808 -4.251 1.00 0.00 C ATOM 376 C ALA A 26 17.941 1.777 -4.113 1.00 0.00 C ATOM 377 O ALA A 26 19.115 2.100 -4.297 1.00 0.00 O ATOM 378 CB ALA A 26 16.353 3.237 -2.871 1.00 0.00 C ATOM 0 H ALA A 26 14.830 2.280 -4.543 1.00 0.00 H new ATOM 0 HA ALA A 26 17.231 3.674 -4.778 1.00 0.00 H new ATOM 0 HB1 ALA A 26 17.196 3.621 -2.297 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.598 4.017 -2.973 1.00 0.00 H new ATOM 0 HB3 ALA A 26 15.922 2.381 -2.353 1.00 0.00 H new ATOM 384 N ASN A 27 17.580 0.533 -3.788 1.00 0.00 N ATOM 385 CA ASN A 27 18.599 -0.502 -3.625 1.00 0.00 C ATOM 386 C ASN A 27 18.059 -1.938 -3.664 1.00 0.00 C ATOM 387 O ASN A 27 18.763 -2.837 -4.125 1.00 0.00 O ATOM 388 CB ASN A 27 19.364 -0.280 -2.314 1.00 0.00 C ATOM 389 CG ASN A 27 18.526 -0.535 -1.071 1.00 0.00 C ATOM 390 OD1 ASN A 27 17.220 -0.307 -1.167 1.00 0.00 O flip ATOM 391 ND2 ASN A 27 19.050 -0.934 -0.032 1.00 0.00 N flip ATOM 0 H ASN A 27 16.619 0.225 -3.637 1.00 0.00 H new ATOM 0 HA ASN A 27 19.260 -0.403 -4.486 1.00 0.00 H new ATOM 0 HB2 ASN A 27 20.235 -0.935 -2.296 1.00 0.00 H new ATOM 0 HB3 ASN A 27 19.735 0.745 -2.288 1.00 0.00 H new ATOM 0 HD21 ASN A 27 20.056 -1.097 0.002 1.00 0.00 H new ATOM 0 HD22 ASN A 27 18.478 -1.102 0.796 1.00 0.00 H new ATOM 398 N CYS A 28 16.829 -2.173 -3.200 1.00 0.00 N ATOM 399 CA CYS A 28 16.298 -3.540 -3.177 1.00 0.00 C ATOM 400 C CYS A 28 14.835 -3.597 -2.753 1.00 0.00 C ATOM 401 O CYS A 28 14.336 -2.693 -2.114 1.00 0.00 O ATOM 402 CB CYS A 28 17.134 -4.369 -2.199 1.00 0.00 C ATOM 403 SG CYS A 28 16.227 -5.689 -1.337 1.00 0.00 S ATOM 0 H CYS A 28 16.196 -1.457 -2.844 1.00 0.00 H new ATOM 0 HA CYS A 28 16.356 -3.937 -4.191 1.00 0.00 H new ATOM 0 HB2 CYS A 28 17.965 -4.816 -2.744 1.00 0.00 H new ATOM 0 HB3 CYS A 28 17.565 -3.699 -1.455 1.00 0.00 H new ATOM 408 N ASP A 29 14.160 -4.681 -3.126 1.00 0.00 N ATOM 409 CA ASP A 29 12.760 -4.903 -2.753 1.00 0.00 C ATOM 410 C ASP A 29 12.651 -6.103 -1.812 1.00 0.00 C ATOM 411 O ASP A 29 13.476 -7.014 -1.882 1.00 0.00 O ATOM 412 CB ASP A 29 11.909 -5.149 -4.002 1.00 0.00 C ATOM 413 CG ASP A 29 12.739 -5.599 -5.188 1.00 0.00 C ATOM 414 OD1 ASP A 29 12.970 -6.818 -5.322 1.00 0.00 O ATOM 415 OD2 ASP A 29 13.159 -4.730 -5.982 1.00 0.00 O ATOM 0 H ASP A 29 14.562 -5.428 -3.692 1.00 0.00 H new ATOM 0 HA ASP A 29 12.392 -4.013 -2.243 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.155 -5.905 -3.782 1.00 0.00 H new ATOM 0 HB3 ASP A 29 11.376 -4.234 -4.261 1.00 0.00 H new ATOM 420 N TRP A 30 11.642 -6.121 -0.930 1.00 0.00 N ATOM 421 CA TRP A 30 11.495 -7.251 -0.017 1.00 0.00 C ATOM 422 C TRP A 30 11.102 -8.483 -0.826 1.00 0.00 C ATOM 423 O TRP A 30 11.685 -9.557 -0.665 1.00 0.00 O ATOM 424 CB TRP A 30 10.486 -6.968 1.129 1.00 0.00 C ATOM 425 CG TRP A 30 9.159 -6.460 0.705 1.00 0.00 C ATOM 426 CD1 TRP A 30 8.199 -7.082 -0.034 1.00 0.00 C ATOM 427 CD2 TRP A 30 8.641 -5.196 1.060 1.00 0.00 C ATOM 428 NE1 TRP A 30 7.130 -6.237 -0.205 1.00 0.00 N ATOM 429 CE2 TRP A 30 7.388 -5.071 0.466 1.00 0.00 C ATOM 430 CE3 TRP A 30 9.141 -4.143 1.815 1.00 0.00 C ATOM 431 CZ2 TRP A 30 6.630 -3.926 0.602 1.00 0.00 C ATOM 432 CZ3 TRP A 30 8.389 -3.010 1.958 1.00 0.00 C ATOM 433 CH2 TRP A 30 7.146 -2.903 1.353 1.00 0.00 C ATOM 0 H TRP A 30 10.939 -5.389 -0.833 1.00 0.00 H new ATOM 0 HA TRP A 30 12.450 -7.427 0.478 1.00 0.00 H new ATOM 0 HB2 TRP A 30 10.339 -7.888 1.694 1.00 0.00 H new ATOM 0 HB3 TRP A 30 10.932 -6.243 1.810 1.00 0.00 H new ATOM 0 HD1 TRP A 30 8.268 -8.086 -0.426 1.00 0.00 H new ATOM 0 HE1 TRP A 30 6.287 -6.443 -0.741 1.00 0.00 H new ATOM 0 HE3 TRP A 30 10.111 -4.218 2.283 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 5.662 -3.839 0.132 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 8.768 -2.189 2.549 1.00 0.00 H new ATOM 0 HH2 TRP A 30 6.573 -1.996 1.476 1.00 0.00 H new ATOM 444 N ALA A 31 10.132 -8.286 -1.726 1.00 0.00 N ATOM 445 CA ALA A 31 9.639 -9.330 -2.627 1.00 0.00 C ATOM 446 C ALA A 31 8.853 -10.408 -1.886 1.00 0.00 C ATOM 447 O ALA A 31 7.808 -10.868 -2.344 1.00 0.00 O ATOM 448 CB ALA A 31 10.802 -9.945 -3.382 1.00 0.00 C ATOM 0 H ALA A 31 9.664 -7.388 -1.849 1.00 0.00 H new ATOM 0 HA ALA A 31 8.951 -8.863 -3.332 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.431 -10.721 -4.051 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.306 -9.174 -3.965 1.00 0.00 H new ATOM 0 HB3 ALA A 31 11.505 -10.382 -2.673 1.00 0.00 H new ATOM 454 N ALA A 32 9.365 -10.808 -0.742 1.00 0.00 N ATOM 455 CA ALA A 32 8.723 -11.834 0.064 1.00 0.00 C ATOM 456 C ALA A 32 7.435 -11.319 0.691 1.00 0.00 C ATOM 457 O ALA A 32 6.413 -12.011 0.704 1.00 0.00 O ATOM 458 CB ALA A 32 9.675 -12.330 1.143 1.00 0.00 C ATOM 0 H ALA A 32 10.228 -10.438 -0.344 1.00 0.00 H new ATOM 0 HA ALA A 32 8.467 -12.666 -0.592 1.00 0.00 H new ATOM 0 HB1 ALA A 32 9.181 -13.098 1.739 1.00 0.00 H new ATOM 0 HB2 ALA A 32 10.566 -12.750 0.677 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.960 -11.498 1.787 1.00 0.00 H new ATOM 464 N CYS A 33 7.482 -10.094 1.201 1.00 0.00 N ATOM 465 CA CYS A 33 6.320 -9.502 1.845 1.00 0.00 C ATOM 466 C CYS A 33 5.195 -9.239 0.863 1.00 0.00 C ATOM 467 O CYS A 33 4.048 -9.545 1.143 1.00 0.00 O ATOM 468 CB CYS A 33 6.683 -8.212 2.557 1.00 0.00 C ATOM 469 SG CYS A 33 6.111 -8.158 4.291 1.00 0.00 S ATOM 0 H CYS A 33 8.308 -9.496 1.181 1.00 0.00 H new ATOM 0 HA CYS A 33 5.971 -10.229 2.578 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.765 -8.085 2.535 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.252 -7.371 2.013 1.00 0.00 H new ATOM 474 N LEU A 34 5.499 -8.661 -0.280 1.00 0.00 N ATOM 475 CA LEU A 34 4.448 -8.390 -1.240 1.00 0.00 C ATOM 476 C LEU A 34 3.661 -9.659 -1.522 1.00 0.00 C ATOM 477 O LEU A 34 2.434 -9.634 -1.589 1.00 0.00 O ATOM 478 CB LEU A 34 5.002 -7.765 -2.509 1.00 0.00 C ATOM 479 CG LEU A 34 6.390 -8.245 -2.899 1.00 0.00 C ATOM 480 CD1 LEU A 34 6.294 -9.277 -4.006 1.00 0.00 C ATOM 481 CD2 LEU A 34 7.253 -7.072 -3.317 1.00 0.00 C ATOM 0 H LEU A 34 6.437 -8.376 -0.563 1.00 0.00 H new ATOM 0 HA LEU A 34 3.763 -7.659 -0.811 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.316 -7.974 -3.330 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.029 -6.683 -2.383 1.00 0.00 H new ATOM 0 HG LEU A 34 6.859 -8.717 -2.036 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.295 -9.614 -4.277 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.706 -10.127 -3.661 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.812 -8.833 -4.877 1.00 0.00 H new ATOM 0 HD21 LEU A 34 8.245 -7.430 -3.594 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.797 -6.571 -4.171 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.339 -6.370 -2.488 1.00 0.00 H new ATOM 493 N SER A 35 4.363 -10.775 -1.664 1.00 0.00 N ATOM 494 CA SER A 35 3.691 -12.047 -1.874 1.00 0.00 C ATOM 495 C SER A 35 2.654 -12.236 -0.771 1.00 0.00 C ATOM 496 O SER A 35 1.573 -12.779 -0.990 1.00 0.00 O ATOM 497 CB SER A 35 4.700 -13.190 -1.831 1.00 0.00 C ATOM 498 OG SER A 35 5.709 -13.021 -2.812 1.00 0.00 O ATOM 0 H SER A 35 5.381 -10.825 -1.638 1.00 0.00 H new ATOM 0 HA SER A 35 3.207 -12.049 -2.851 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.156 -13.239 -0.842 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.187 -14.138 -1.993 1.00 0.00 H new ATOM 0 HG SER A 35 6.341 -12.332 -2.516 1.00 0.00 H new ATOM 504 N SER A 36 3.022 -11.764 0.419 1.00 0.00 N ATOM 505 CA SER A 36 2.165 -11.838 1.607 1.00 0.00 C ATOM 506 C SER A 36 0.766 -11.253 1.354 1.00 0.00 C ATOM 507 O SER A 36 -0.231 -11.841 1.765 1.00 0.00 O ATOM 508 CB SER A 36 2.836 -11.115 2.783 1.00 0.00 C ATOM 509 OG SER A 36 2.464 -11.692 4.022 1.00 0.00 O ATOM 0 H SER A 36 3.924 -11.318 0.590 1.00 0.00 H new ATOM 0 HA SER A 36 2.035 -12.892 1.851 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.919 -11.159 2.669 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.557 -10.061 2.772 1.00 0.00 H new ATOM 0 HG SER A 36 2.908 -11.212 4.753 1.00 0.00 H new ATOM 515 N LEU A 37 0.683 -10.089 0.698 1.00 0.00 N ATOM 516 CA LEU A 37 -0.632 -9.493 0.407 1.00 0.00 C ATOM 517 C LEU A 37 -1.330 -10.363 -0.615 1.00 0.00 C ATOM 518 O LEU A 37 -2.495 -10.729 -0.458 1.00 0.00 O ATOM 519 CB LEU A 37 -0.546 -8.055 -0.129 1.00 0.00 C ATOM 520 CG LEU A 37 -1.813 -7.574 -0.835 1.00 0.00 C ATOM 521 CD1 LEU A 37 -2.981 -7.532 0.127 1.00 0.00 C ATOM 522 CD2 LEU A 37 -1.613 -6.222 -1.473 1.00 0.00 C ATOM 0 H LEU A 37 1.484 -9.552 0.366 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.185 -9.443 1.345 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.328 -7.382 0.700 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.292 -7.987 -0.823 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.036 -8.289 -1.627 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.872 -7.187 -0.397 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.159 -8.530 0.527 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.754 -6.849 0.945 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.535 -5.912 -1.966 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.349 -5.494 -0.707 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.811 -6.282 -2.209 1.00 0.00 H new ATOM 534 N SER A 38 -0.591 -10.690 -1.667 1.00 0.00 N ATOM 535 CA SER A 38 -1.093 -11.549 -2.723 1.00 0.00 C ATOM 536 C SER A 38 -1.254 -12.972 -2.196 1.00 0.00 C ATOM 537 O SER A 38 -1.542 -13.902 -2.944 1.00 0.00 O ATOM 538 CB SER A 38 -0.142 -11.514 -3.924 1.00 0.00 C ATOM 539 OG SER A 38 -0.206 -12.712 -4.676 1.00 0.00 O ATOM 0 H SER A 38 0.366 -10.368 -1.809 1.00 0.00 H new ATOM 0 HA SER A 38 -2.068 -11.189 -3.051 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.394 -10.668 -4.564 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.879 -11.357 -3.576 1.00 0.00 H new ATOM 0 HG SER A 38 -0.338 -13.471 -4.071 1.00 0.00 H new ATOM 545 N ALA A 39 -1.056 -13.120 -0.890 1.00 0.00 N ATOM 546 CA ALA A 39 -1.185 -14.407 -0.224 1.00 0.00 C ATOM 547 C ALA A 39 -2.505 -14.473 0.534 1.00 0.00 C ATOM 548 O ALA A 39 -3.344 -15.323 0.234 1.00 0.00 O ATOM 549 CB ALA A 39 -0.013 -14.643 0.716 1.00 0.00 C ATOM 0 H ALA A 39 -0.803 -12.353 -0.267 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.177 -15.194 -0.978 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.128 -15.611 1.205 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.917 -14.631 0.148 1.00 0.00 H new ATOM 0 HB3 ALA A 39 0.013 -13.856 1.470 1.00 0.00 H new ATOM 555 N SER A 40 -2.667 -13.563 1.514 1.00 0.00 N ATOM 556 CA SER A 40 -3.886 -13.461 2.333 1.00 0.00 C ATOM 557 C SER A 40 -3.591 -12.906 3.720 1.00 0.00 C ATOM 558 O SER A 40 -2.756 -13.437 4.451 1.00 0.00 O ATOM 559 CB SER A 40 -4.593 -14.813 2.490 1.00 0.00 C ATOM 560 OG SER A 40 -3.703 -15.801 2.980 1.00 0.00 O ATOM 0 H SER A 40 -1.953 -12.877 1.759 1.00 0.00 H new ATOM 0 HA SER A 40 -4.543 -12.775 1.798 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.437 -14.709 3.172 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.998 -15.129 1.529 1.00 0.00 H new ATOM 0 HG SER A 40 -3.127 -15.409 3.669 1.00 0.00 H new ATOM 566 N SER A 41 -4.288 -11.828 4.071 1.00 0.00 N ATOM 567 CA SER A 41 -4.143 -11.216 5.381 1.00 0.00 C ATOM 568 C SER A 41 -5.510 -11.093 6.026 1.00 0.00 C ATOM 569 O SER A 41 -6.443 -10.568 5.421 1.00 0.00 O ATOM 570 CB SER A 41 -3.495 -9.832 5.284 1.00 0.00 C ATOM 571 OG SER A 41 -2.582 -9.772 4.203 1.00 0.00 O ATOM 0 H SER A 41 -4.960 -11.362 3.461 1.00 0.00 H new ATOM 0 HA SER A 41 -3.494 -11.849 5.987 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.267 -9.074 5.155 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.977 -9.603 6.215 1.00 0.00 H new ATOM 0 HG SER A 41 -2.952 -9.206 3.494 1.00 0.00 H new ATOM 577 N ALA A 42 -5.621 -11.576 7.255 1.00 0.00 N ATOM 578 CA ALA A 42 -6.882 -11.524 7.990 1.00 0.00 C ATOM 579 C ALA A 42 -7.382 -10.091 8.087 1.00 0.00 C ATOM 580 O ALA A 42 -8.502 -9.832 8.528 1.00 0.00 O ATOM 581 CB ALA A 42 -6.710 -12.116 9.378 1.00 0.00 C ATOM 0 H ALA A 42 -4.853 -12.010 7.767 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.621 -12.114 7.448 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.658 -12.070 9.913 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.391 -13.155 9.294 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.957 -11.549 9.925 1.00 0.00 H new ATOM 587 N ALA A 43 -6.528 -9.169 7.670 1.00 0.00 N ATOM 588 CA ALA A 43 -6.829 -7.752 7.713 1.00 0.00 C ATOM 589 C ALA A 43 -7.563 -7.261 6.470 1.00 0.00 C ATOM 590 O ALA A 43 -8.660 -6.737 6.586 1.00 0.00 O ATOM 591 CB ALA A 43 -5.540 -6.974 7.927 1.00 0.00 C ATOM 0 H ALA A 43 -5.606 -9.386 7.292 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.509 -7.581 8.547 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.760 -5.907 7.960 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.083 -7.280 8.868 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.852 -7.177 7.106 1.00 0.00 H new ATOM 597 N CYS A 44 -6.968 -7.443 5.291 1.00 0.00 N ATOM 598 CA CYS A 44 -7.583 -6.986 4.037 1.00 0.00 C ATOM 599 C CYS A 44 -9.094 -7.231 4.031 1.00 0.00 C ATOM 600 O CYS A 44 -9.870 -6.425 3.512 1.00 0.00 O ATOM 601 CB CYS A 44 -6.935 -7.692 2.843 1.00 0.00 C ATOM 602 SG CYS A 44 -5.547 -6.795 2.080 1.00 0.00 S ATOM 0 H CYS A 44 -6.064 -7.901 5.174 1.00 0.00 H new ATOM 0 HA CYS A 44 -7.416 -5.912 3.957 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -6.581 -8.671 3.167 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -7.698 -7.864 2.084 1.00 0.00 H new ATOM 607 N ILE A 45 -9.500 -8.344 4.618 1.00 0.00 N ATOM 608 CA ILE A 45 -10.910 -8.711 4.679 1.00 0.00 C ATOM 609 C ILE A 45 -11.623 -8.029 5.848 1.00 0.00 C ATOM 610 O ILE A 45 -12.678 -7.375 5.677 1.00 0.00 O ATOM 611 CB ILE A 45 -11.088 -10.237 4.766 1.00 0.00 C ATOM 612 CG1 ILE A 45 -9.822 -10.951 4.289 1.00 0.00 C ATOM 613 CG2 ILE A 45 -12.283 -10.672 3.930 1.00 0.00 C ATOM 614 CD1 ILE A 45 -9.102 -11.702 5.387 1.00 0.00 C ATOM 0 H ILE A 45 -8.872 -9.014 5.062 1.00 0.00 H new ATOM 0 HA ILE A 45 -11.368 -8.361 3.754 1.00 0.00 H new ATOM 0 HB ILE A 45 -11.267 -10.508 5.806 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -10.086 -11.649 3.495 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -9.142 -10.217 3.856 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -12.400 -11.754 3.998 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -13.184 -10.185 4.302 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -12.121 -10.390 2.890 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.214 -12.184 4.977 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.807 -11.005 6.171 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.765 -12.459 5.805 1.00 0.00 H new ATOM 626 N ALA A 46 -11.044 -8.151 7.043 1.00 0.00 N ATOM 627 CA ALA A 46 -11.643 -7.512 8.209 1.00 0.00 C ATOM 628 C ALA A 46 -11.794 -6.043 7.873 1.00 0.00 C ATOM 629 O ALA A 46 -12.611 -5.295 8.428 1.00 0.00 O ATOM 630 CB ALA A 46 -10.777 -7.716 9.443 1.00 0.00 C ATOM 0 H ALA A 46 -10.186 -8.671 7.225 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.614 -7.950 8.441 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.244 -7.231 10.300 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.673 -8.783 9.642 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.792 -7.281 9.272 1.00 0.00 H new ATOM 636 N ALA A 47 -10.988 -5.673 6.901 1.00 0.00 N ATOM 637 CA ALA A 47 -10.940 -4.341 6.376 1.00 0.00 C ATOM 638 C ALA A 47 -12.214 -4.023 5.624 1.00 0.00 C ATOM 639 O ALA A 47 -12.809 -2.967 5.828 1.00 0.00 O ATOM 640 CB ALA A 47 -9.749 -4.228 5.453 1.00 0.00 C ATOM 0 H ALA A 47 -10.335 -6.312 6.448 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.844 -3.628 7.195 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -9.699 -3.218 5.045 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.836 -4.440 6.009 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -9.851 -4.944 4.638 1.00 0.00 H new ATOM 646 N VAL A 48 -12.641 -4.951 4.766 1.00 0.00 N ATOM 647 CA VAL A 48 -13.852 -4.749 3.975 1.00 0.00 C ATOM 648 C VAL A 48 -14.922 -4.111 4.818 1.00 0.00 C ATOM 649 O VAL A 48 -15.706 -3.294 4.342 1.00 0.00 O ATOM 650 CB VAL A 48 -14.417 -6.072 3.422 1.00 0.00 C ATOM 651 CG1 VAL A 48 -15.555 -5.808 2.447 1.00 0.00 C ATOM 652 CG2 VAL A 48 -13.330 -6.899 2.764 1.00 0.00 C ATOM 0 H VAL A 48 -12.170 -5.841 4.603 1.00 0.00 H new ATOM 0 HA VAL A 48 -13.573 -4.106 3.140 1.00 0.00 H new ATOM 0 HB VAL A 48 -14.811 -6.643 4.263 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -15.938 -6.756 2.070 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -16.354 -5.271 2.958 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -15.189 -5.207 1.614 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -13.758 -7.826 2.383 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -12.893 -6.336 1.939 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -12.556 -7.130 3.496 1.00 0.00 H new ATOM 662 N GLY A 49 -14.953 -4.500 6.070 1.00 0.00 N ATOM 663 CA GLY A 49 -15.949 -3.948 6.974 1.00 0.00 C ATOM 664 C GLY A 49 -15.564 -2.649 7.687 1.00 0.00 C ATOM 665 O GLY A 49 -16.444 -1.892 8.088 1.00 0.00 O ATOM 0 H GLY A 49 -14.318 -5.181 6.485 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -16.865 -3.771 6.409 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -16.180 -4.699 7.730 1.00 0.00 H new ATOM 669 N GLU A 50 -14.273 -2.361 7.825 1.00 0.00 N ATOM 670 CA GLU A 50 -13.844 -1.205 8.627 1.00 0.00 C ATOM 671 C GLU A 50 -13.428 0.113 7.939 1.00 0.00 C ATOM 672 O GLU A 50 -12.596 0.820 8.493 1.00 0.00 O ATOM 673 CB GLU A 50 -12.823 -1.658 9.644 1.00 0.00 C ATOM 674 CG GLU A 50 -13.500 -2.436 10.736 1.00 0.00 C ATOM 675 CD GLU A 50 -13.221 -1.880 12.120 1.00 0.00 C ATOM 676 OE1 GLU A 50 -13.812 -0.838 12.471 1.00 0.00 O ATOM 677 OE2 GLU A 50 -12.411 -2.488 12.852 1.00 0.00 O ATOM 0 H GLU A 50 -13.514 -2.896 7.404 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.778 -0.873 9.081 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -12.065 -2.276 9.161 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -12.309 -0.794 10.066 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -14.576 -2.437 10.561 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -13.169 -3.474 10.694 1.00 0.00 H new ATOM 684 N LEU A 51 -13.876 0.386 6.712 1.00 0.00 N ATOM 685 CA LEU A 51 -13.612 1.696 6.049 1.00 0.00 C ATOM 686 C LEU A 51 -12.575 1.597 4.972 1.00 0.00 C ATOM 687 O LEU A 51 -11.360 1.483 5.237 1.00 0.00 O ATOM 688 CB LEU A 51 -13.252 2.816 7.016 1.00 0.00 C ATOM 689 CG LEU A 51 -13.420 4.225 6.445 1.00 0.00 C ATOM 690 CD1 LEU A 51 -14.891 4.572 6.248 1.00 0.00 C ATOM 691 CD2 LEU A 51 -12.727 5.256 7.324 1.00 0.00 C ATOM 0 H LEU A 51 -14.421 -0.267 6.148 1.00 0.00 H new ATOM 0 HA LEU A 51 -14.565 1.961 5.592 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -13.872 2.723 7.908 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -12.217 2.687 7.333 1.00 0.00 H new ATOM 0 HG LEU A 51 -12.943 4.244 5.465 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -14.976 5.580 5.841 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -15.343 3.862 5.555 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -15.408 4.523 7.206 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -12.862 6.249 6.895 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -13.159 5.231 8.324 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -11.663 5.028 7.383 1.00 0.00 H new ATOM 703 N GLY A 52 -13.105 1.663 3.748 1.00 0.00 N ATOM 704 CA GLY A 52 -12.330 1.534 2.546 1.00 0.00 C ATOM 705 C GLY A 52 -11.435 0.365 2.660 1.00 0.00 C ATOM 706 O GLY A 52 -10.519 0.182 1.863 1.00 0.00 O ATOM 0 H GLY A 52 -14.100 1.810 3.579 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -12.990 1.418 1.686 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.745 2.438 2.379 1.00 0.00 H new ATOM 710 N LEU A 53 -11.753 -0.421 3.678 1.00 0.00 N ATOM 711 CA LEU A 53 -11.041 -1.607 4.033 1.00 0.00 C ATOM 712 C LEU A 53 -10.037 -1.248 5.110 1.00 0.00 C ATOM 713 O LEU A 53 -8.846 -1.513 4.962 1.00 0.00 O ATOM 714 CB LEU A 53 -10.368 -2.277 2.828 1.00 0.00 C ATOM 715 CG LEU A 53 -11.279 -2.636 1.635 1.00 0.00 C ATOM 716 CD1 LEU A 53 -11.089 -4.092 1.229 1.00 0.00 C ATOM 717 CD2 LEU A 53 -12.744 -2.361 1.943 1.00 0.00 C ATOM 0 H LEU A 53 -12.545 -0.230 4.292 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.747 -2.346 4.412 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.580 -1.616 2.467 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.884 -3.191 3.173 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.988 -1.998 0.801 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -11.741 -4.323 0.386 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.051 -4.257 0.940 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -11.339 -4.740 2.069 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -13.353 -2.626 1.079 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -13.053 -2.957 2.802 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -12.876 -1.303 2.169 1.00 0.00 H new ATOM 729 N ASP A 54 -10.546 -0.635 6.204 1.00 0.00 N ATOM 730 CA ASP A 54 -9.700 -0.215 7.316 1.00 0.00 C ATOM 731 C ASP A 54 -8.266 -0.218 6.887 1.00 0.00 C ATOM 732 O ASP A 54 -7.646 -1.272 6.861 1.00 0.00 O ATOM 733 CB ASP A 54 -9.844 -1.162 8.497 1.00 0.00 C ATOM 734 CG ASP A 54 -9.674 -0.462 9.831 1.00 0.00 C ATOM 735 OD1 ASP A 54 -10.490 0.430 10.143 1.00 0.00 O ATOM 736 OD2 ASP A 54 -8.722 -0.805 10.564 1.00 0.00 O ATOM 0 H ASP A 54 -11.537 -0.426 6.328 1.00 0.00 H new ATOM 0 HA ASP A 54 -10.011 0.786 7.615 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -10.826 -1.634 8.461 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.104 -1.958 8.412 1.00 0.00 H new ATOM 741 N VAL A 55 -7.739 0.929 6.515 1.00 0.00 N ATOM 742 CA VAL A 55 -6.342 0.958 6.081 1.00 0.00 C ATOM 743 C VAL A 55 -5.463 0.100 6.981 1.00 0.00 C ATOM 744 O VAL A 55 -4.674 -0.686 6.458 1.00 0.00 O ATOM 745 CB VAL A 55 -5.727 2.371 5.962 1.00 0.00 C ATOM 746 CG1 VAL A 55 -4.848 2.720 7.165 1.00 0.00 C ATOM 747 CG2 VAL A 55 -4.919 2.457 4.675 1.00 0.00 C ATOM 0 H VAL A 55 -8.226 1.825 6.500 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.367 0.546 5.072 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.541 3.096 5.942 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.438 3.722 7.037 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.447 2.687 8.075 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.033 2.001 7.241 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.482 3.452 4.585 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.124 1.712 4.694 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.572 2.269 3.822 1.00 0.00 H new ATOM 757 N PRO A 56 -5.605 0.195 8.339 1.00 0.00 N ATOM 758 CA PRO A 56 -4.781 -0.592 9.253 1.00 0.00 C ATOM 759 C PRO A 56 -4.897 -2.063 8.931 1.00 0.00 C ATOM 760 O PRO A 56 -4.068 -2.876 9.340 1.00 0.00 O ATOM 761 CB PRO A 56 -5.360 -0.293 10.639 1.00 0.00 C ATOM 762 CG PRO A 56 -6.059 1.010 10.483 1.00 0.00 C ATOM 763 CD PRO A 56 -6.593 1.016 9.081 1.00 0.00 C ATOM 0 HA PRO A 56 -3.722 -0.343 9.184 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -6.048 -1.076 10.958 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.574 -0.233 11.392 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -6.865 1.112 11.210 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -5.376 1.843 10.646 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.593 0.587 9.029 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -6.659 2.027 8.679 1.00 0.00 H new ATOM 771 N LEU A 57 -5.977 -2.405 8.247 1.00 0.00 N ATOM 772 CA LEU A 57 -6.200 -3.764 7.832 1.00 0.00 C ATOM 773 C LEU A 57 -5.751 -4.023 6.398 1.00 0.00 C ATOM 774 O LEU A 57 -4.717 -4.627 6.182 1.00 0.00 O ATOM 775 CB LEU A 57 -7.661 -4.159 7.999 1.00 0.00 C ATOM 776 CG LEU A 57 -8.215 -4.042 9.425 1.00 0.00 C ATOM 777 CD1 LEU A 57 -9.667 -4.476 9.473 1.00 0.00 C ATOM 778 CD2 LEU A 57 -7.385 -4.869 10.396 1.00 0.00 C ATOM 0 H LEU A 57 -6.710 -1.752 7.971 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.586 -4.385 8.485 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.266 -3.536 7.340 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.782 -5.189 7.664 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.156 -2.996 9.725 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -10.040 -4.385 10.493 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.258 -3.842 8.812 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -9.748 -5.513 9.148 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.796 -4.771 11.401 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.409 -5.916 10.095 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.355 -4.513 10.389 1.00 0.00 H new ATOM 790 N ASP A 58 -6.537 -3.536 5.429 1.00 0.00 N ATOM 791 CA ASP A 58 -6.287 -3.773 3.998 1.00 0.00 C ATOM 792 C ASP A 58 -5.022 -3.176 3.431 1.00 0.00 C ATOM 793 O ASP A 58 -4.184 -3.904 2.924 1.00 0.00 O ATOM 794 CB ASP A 58 -7.450 -3.248 3.185 1.00 0.00 C ATOM 795 CG ASP A 58 -7.193 -3.280 1.690 1.00 0.00 C ATOM 796 OD1 ASP A 58 -6.258 -3.983 1.261 1.00 0.00 O ATOM 797 OD2 ASP A 58 -7.929 -2.595 0.950 1.00 0.00 O ATOM 0 H ASP A 58 -7.363 -2.967 5.613 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.167 -4.854 3.927 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.338 -3.840 3.408 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.665 -2.224 3.489 1.00 0.00 H new ATOM 802 N LEU A 59 -4.893 -1.868 3.458 1.00 0.00 N ATOM 803 CA LEU A 59 -3.718 -1.258 2.872 1.00 0.00 C ATOM 804 C LEU A 59 -2.549 -1.499 3.748 1.00 0.00 C ATOM 805 O LEU A 59 -1.424 -1.236 3.377 1.00 0.00 O ATOM 806 CB LEU A 59 -3.903 0.204 2.547 1.00 0.00 C ATOM 807 CG LEU A 59 -4.138 0.473 1.064 1.00 0.00 C ATOM 808 CD1 LEU A 59 -2.841 0.442 0.288 1.00 0.00 C ATOM 809 CD2 LEU A 59 -5.133 -0.518 0.460 1.00 0.00 C ATOM 0 H LEU A 59 -5.566 -1.220 3.867 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.539 -1.733 1.907 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.748 0.590 3.117 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.021 0.755 2.873 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.565 1.473 0.989 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.042 0.637 -0.765 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.167 1.205 0.676 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.378 -0.539 0.393 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.274 -0.293 -0.597 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.747 -1.532 0.567 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.088 -0.436 0.979 1.00 0.00 H new ATOM 821 N ALA A 60 -2.852 -1.913 4.951 1.00 0.00 N ATOM 822 CA ALA A 60 -1.837 -2.269 5.902 1.00 0.00 C ATOM 823 C ALA A 60 -1.499 -3.720 5.643 1.00 0.00 C ATOM 824 O ALA A 60 -0.407 -4.186 5.928 1.00 0.00 O ATOM 825 CB ALA A 60 -2.338 -2.057 7.307 1.00 0.00 C ATOM 0 H ALA A 60 -3.807 -2.012 5.296 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.948 -1.647 5.794 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.558 -2.331 8.017 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.602 -1.008 7.445 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.218 -2.678 7.477 1.00 0.00 H new ATOM 831 N CYS A 61 -2.494 -4.414 5.098 1.00 0.00 N ATOM 832 CA CYS A 61 -2.372 -5.801 4.685 1.00 0.00 C ATOM 833 C CYS A 61 -1.583 -5.784 3.393 1.00 0.00 C ATOM 834 O CYS A 61 -0.747 -6.640 3.096 1.00 0.00 O ATOM 835 CB CYS A 61 -3.773 -6.375 4.446 1.00 0.00 C ATOM 836 SG CYS A 61 -3.921 -7.522 3.054 1.00 0.00 S ATOM 0 H CYS A 61 -3.419 -4.019 4.930 1.00 0.00 H new ATOM 0 HA CYS A 61 -1.877 -6.415 5.437 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -4.095 -6.888 5.352 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -4.463 -5.547 4.286 1.00 0.00 H new ATOM 841 N ALA A 62 -1.857 -4.732 2.650 1.00 0.00 N ATOM 842 CA ALA A 62 -1.230 -4.487 1.386 1.00 0.00 C ATOM 843 C ALA A 62 0.134 -3.855 1.614 1.00 0.00 C ATOM 844 O ALA A 62 1.115 -4.210 0.953 1.00 0.00 O ATOM 845 CB ALA A 62 -2.137 -3.606 0.548 1.00 0.00 C ATOM 0 H ALA A 62 -2.533 -4.017 2.919 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.073 -5.419 0.844 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -1.668 -3.414 -0.417 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.091 -4.109 0.393 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.305 -2.661 1.064 1.00 0.00 H new ATOM 851 N ALA A 63 0.182 -2.926 2.574 1.00 0.00 N ATOM 852 CA ALA A 63 1.423 -2.262 2.944 1.00 0.00 C ATOM 853 C ALA A 63 2.317 -3.279 3.587 1.00 0.00 C ATOM 854 O ALA A 63 3.538 -3.228 3.464 1.00 0.00 O ATOM 855 CB ALA A 63 1.178 -1.121 3.910 1.00 0.00 C ATOM 0 H ALA A 63 -0.632 -2.620 3.108 1.00 0.00 H new ATOM 0 HA ALA A 63 1.883 -1.842 2.050 1.00 0.00 H new ATOM 0 HB1 ALA A 63 2.127 -0.649 4.164 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.520 -0.386 3.446 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.710 -1.506 4.816 1.00 0.00 H new ATOM 861 N THR A 64 1.686 -4.223 4.273 1.00 0.00 N ATOM 862 CA THR A 64 2.433 -5.290 4.909 1.00 0.00 C ATOM 863 C THR A 64 2.874 -6.253 3.828 1.00 0.00 C ATOM 864 O THR A 64 3.319 -7.365 4.109 1.00 0.00 O ATOM 865 CB THR A 64 1.652 -6.053 6.021 1.00 0.00 C ATOM 866 OG1 THR A 64 2.583 -6.679 6.911 1.00 0.00 O ATOM 867 CG2 THR A 64 0.713 -7.123 5.461 1.00 0.00 C ATOM 0 H THR A 64 0.675 -4.269 4.400 1.00 0.00 H new ATOM 0 HA THR A 64 3.280 -4.835 5.422 1.00 0.00 H new ATOM 0 HB THR A 64 1.040 -5.317 6.542 1.00 0.00 H new ATOM 0 HG1 THR A 64 3.222 -7.212 6.394 1.00 0.00 H new ATOM 0 HG21 THR A 64 0.197 -7.620 6.282 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.019 -6.656 4.802 1.00 0.00 H new ATOM 0 HG23 THR A 64 1.291 -7.856 4.899 1.00 0.00 H new ATOM 875 N ALA A 65 2.748 -5.804 2.572 1.00 0.00 N ATOM 876 CA ALA A 65 3.109 -6.642 1.454 1.00 0.00 C ATOM 877 C ALA A 65 3.315 -5.890 0.124 1.00 0.00 C ATOM 878 O ALA A 65 4.361 -5.298 -0.089 1.00 0.00 O ATOM 879 CB ALA A 65 2.066 -7.710 1.304 1.00 0.00 C ATOM 0 H ALA A 65 2.403 -4.877 2.321 1.00 0.00 H new ATOM 0 HA ALA A 65 4.085 -7.071 1.680 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.323 -8.354 0.463 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.021 -8.305 2.216 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.095 -7.248 1.124 1.00 0.00 H new ATOM 885 N THR A 66 2.326 -5.932 -0.783 1.00 0.00 N ATOM 886 CA THR A 66 2.492 -5.317 -2.112 1.00 0.00 C ATOM 887 C THR A 66 2.243 -3.820 -2.140 1.00 0.00 C ATOM 888 O THR A 66 3.042 -3.095 -2.725 1.00 0.00 O ATOM 889 CB THR A 66 1.616 -5.960 -3.198 1.00 0.00 C ATOM 890 OG1 THR A 66 0.312 -5.395 -3.164 1.00 0.00 O ATOM 891 CG2 THR A 66 1.528 -7.464 -3.028 1.00 0.00 C ATOM 0 H THR A 66 1.421 -6.375 -0.627 1.00 0.00 H new ATOM 0 HA THR A 66 3.543 -5.504 -2.331 1.00 0.00 H new ATOM 0 HB THR A 66 2.080 -5.758 -4.163 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.065 -5.388 -4.068 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.900 -7.883 -3.814 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.527 -7.896 -3.092 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.094 -7.695 -2.055 1.00 0.00 H new ATOM 899 N SER A 67 1.149 -3.330 -1.545 1.00 0.00 N ATOM 900 CA SER A 67 0.926 -1.877 -1.567 1.00 0.00 C ATOM 901 C SER A 67 2.248 -1.274 -1.191 1.00 0.00 C ATOM 902 O SER A 67 2.618 -0.172 -1.596 1.00 0.00 O ATOM 903 CB SER A 67 -0.175 -1.416 -0.629 1.00 0.00 C ATOM 904 OG SER A 67 -0.269 -0.006 -0.646 1.00 0.00 O ATOM 0 H SER A 67 0.438 -3.882 -1.066 1.00 0.00 H new ATOM 0 HA SER A 67 0.583 -1.561 -2.552 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.126 -1.855 -0.929 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.031 -1.762 0.384 1.00 0.00 H new ATOM 0 HG SER A 67 -0.294 0.331 0.274 1.00 0.00 H new ATOM 910 N SER A 68 2.930 -2.060 -0.377 1.00 0.00 N ATOM 911 CA SER A 68 4.271 -1.833 0.011 1.00 0.00 C ATOM 912 C SER A 68 4.495 -0.766 1.042 1.00 0.00 C ATOM 913 O SER A 68 4.373 0.428 0.789 1.00 0.00 O ATOM 914 CB SER A 68 5.132 -1.592 -1.211 1.00 0.00 C ATOM 915 OG SER A 68 6.450 -1.224 -0.844 1.00 0.00 O ATOM 0 H SER A 68 2.530 -2.902 0.037 1.00 0.00 H new ATOM 0 HA SER A 68 4.568 -2.750 0.520 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.160 -2.494 -1.823 1.00 0.00 H new ATOM 0 HB3 SER A 68 4.689 -0.806 -1.822 1.00 0.00 H new ATOM 0 HG SER A 68 6.542 -0.249 -0.889 1.00 0.00 H new ATOM 921 N ALA A 69 4.842 -1.260 2.207 1.00 0.00 N ATOM 922 CA ALA A 69 5.206 -0.442 3.347 1.00 0.00 C ATOM 923 C ALA A 69 5.253 -1.302 4.596 1.00 0.00 C ATOM 924 O ALA A 69 4.747 -0.928 5.654 1.00 0.00 O ATOM 925 CB ALA A 69 4.260 0.732 3.532 1.00 0.00 C ATOM 0 H ALA A 69 4.881 -2.262 2.396 1.00 0.00 H new ATOM 0 HA ALA A 69 6.194 -0.022 3.161 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.571 1.317 4.397 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.282 1.361 2.642 1.00 0.00 H new ATOM 0 HB3 ALA A 69 3.247 0.362 3.689 1.00 0.00 H new ATOM 931 N THR A 70 5.874 -2.463 4.451 1.00 0.00 N ATOM 932 CA THR A 70 5.995 -3.413 5.542 1.00 0.00 C ATOM 933 C THR A 70 7.330 -3.262 6.253 1.00 0.00 C ATOM 934 O THR A 70 8.352 -3.777 5.805 1.00 0.00 O ATOM 935 CB THR A 70 5.831 -4.866 5.051 1.00 0.00 C ATOM 936 OG1 THR A 70 6.761 -5.723 5.721 1.00 0.00 O ATOM 937 CG2 THR A 70 6.031 -4.965 3.547 1.00 0.00 C ATOM 0 H THR A 70 6.305 -2.770 3.579 1.00 0.00 H new ATOM 0 HA THR A 70 5.191 -3.193 6.245 1.00 0.00 H new ATOM 0 HB THR A 70 4.815 -5.184 5.283 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.949 -6.504 5.160 1.00 0.00 H new ATOM 0 HG21 THR A 70 5.909 -6.001 3.231 1.00 0.00 H new ATOM 0 HG22 THR A 70 5.294 -4.342 3.040 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.033 -4.623 3.290 1.00 0.00 H new ATOM 945 N GLU A 71 7.303 -2.547 7.367 1.00 0.00 N ATOM 946 CA GLU A 71 8.494 -2.310 8.168 1.00 0.00 C ATOM 947 C GLU A 71 9.033 -3.619 8.735 1.00 0.00 C ATOM 948 O GLU A 71 10.077 -3.647 9.389 1.00 0.00 O ATOM 949 CB GLU A 71 8.154 -1.311 9.279 1.00 0.00 C ATOM 950 CG GLU A 71 9.234 -1.150 10.340 1.00 0.00 C ATOM 951 CD GLU A 71 8.920 -0.040 11.325 1.00 0.00 C ATOM 952 OE1 GLU A 71 9.309 1.117 11.059 1.00 0.00 O ATOM 953 OE2 GLU A 71 8.286 -0.327 12.361 1.00 0.00 O ATOM 0 H GLU A 71 6.457 -2.116 7.741 1.00 0.00 H new ATOM 0 HA GLU A 71 9.280 -1.887 7.543 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.959 -0.338 8.827 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.231 -1.628 9.764 1.00 0.00 H new ATOM 0 HG2 GLU A 71 9.350 -2.089 10.881 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.187 -0.942 9.855 1.00 0.00 H new ATOM 960 N ALA A 72 8.329 -4.709 8.459 1.00 0.00 N ATOM 961 CA ALA A 72 8.738 -6.014 8.948 1.00 0.00 C ATOM 962 C ALA A 72 9.582 -6.776 7.926 1.00 0.00 C ATOM 963 O ALA A 72 10.505 -7.501 8.300 1.00 0.00 O ATOM 964 CB ALA A 72 7.521 -6.833 9.350 1.00 0.00 C ATOM 0 H ALA A 72 7.475 -4.713 7.901 1.00 0.00 H new ATOM 0 HA ALA A 72 9.365 -5.850 9.825 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.843 -7.808 9.714 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.977 -6.313 10.138 1.00 0.00 H new ATOM 0 HB3 ALA A 72 6.870 -6.965 8.486 1.00 0.00 H new ATOM 970 N CYS A 73 9.275 -6.616 6.638 1.00 0.00 N ATOM 971 CA CYS A 73 10.028 -7.309 5.590 1.00 0.00 C ATOM 972 C CYS A 73 10.834 -6.335 4.776 1.00 0.00 C ATOM 973 O CYS A 73 11.557 -6.734 3.864 1.00 0.00 O ATOM 974 CB CYS A 73 9.104 -8.029 4.610 1.00 0.00 C ATOM 975 SG CYS A 73 7.680 -8.867 5.365 1.00 0.00 S ATOM 0 H CYS A 73 8.520 -6.021 6.297 1.00 0.00 H new ATOM 0 HA CYS A 73 10.670 -8.024 6.105 1.00 0.00 H new ATOM 0 HB2 CYS A 73 8.736 -7.305 3.883 1.00 0.00 H new ATOM 0 HB3 CYS A 73 9.688 -8.765 4.058 1.00 0.00 H new ATOM 980 N LYS A 74 10.723 -5.064 5.100 1.00 0.00 N ATOM 981 CA LYS A 74 11.392 -4.066 4.309 1.00 0.00 C ATOM 982 C LYS A 74 12.899 -4.107 4.373 1.00 0.00 C ATOM 983 O LYS A 74 13.532 -5.141 4.160 1.00 0.00 O ATOM 984 CB LYS A 74 10.896 -2.657 4.599 1.00 0.00 C ATOM 985 CG LYS A 74 11.157 -1.723 3.424 1.00 0.00 C ATOM 986 CD LYS A 74 12.257 -0.707 3.703 1.00 0.00 C ATOM 987 CE LYS A 74 12.591 0.154 2.498 1.00 0.00 C ATOM 988 NZ LYS A 74 13.367 1.367 2.878 1.00 0.00 N ATOM 0 H LYS A 74 10.186 -4.707 5.890 1.00 0.00 H new ATOM 0 HA LYS A 74 11.121 -4.333 3.288 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.828 -2.683 4.815 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.392 -2.271 5.490 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.430 -2.315 2.550 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.237 -1.195 3.176 1.00 0.00 H new ATOM 0 HD2 LYS A 74 11.949 -0.064 4.528 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.155 -1.233 4.027 1.00 0.00 H new ATOM 0 HE2 LYS A 74 13.164 -0.433 1.780 1.00 0.00 H new ATOM 0 HE3 LYS A 74 11.669 0.454 2.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 13.414 2.017 2.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 12.899 1.842 3.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 14.330 1.090 3.156 1.00 0.00 H new ATOM 1002 N GLY A 75 13.454 -2.957 4.673 1.00 0.00 N ATOM 1003 CA GLY A 75 14.866 -2.787 4.639 1.00 0.00 C ATOM 1004 C GLY A 75 15.250 -2.824 3.184 1.00 0.00 C ATOM 1005 O GLY A 75 16.403 -3.070 2.830 1.00 0.00 O ATOM 0 H GLY A 75 12.933 -2.123 4.945 1.00 0.00 H new ATOM 0 HA2 GLY A 75 15.157 -1.841 5.096 1.00 0.00 H new ATOM 0 HA3 GLY A 75 15.368 -3.578 5.196 1.00 0.00 H new ATOM 1009 N CYS A 76 14.236 -2.563 2.326 1.00 0.00 N ATOM 1010 CA CYS A 76 14.421 -2.626 0.897 1.00 0.00 C ATOM 1011 C CYS A 76 13.332 -1.913 0.063 1.00 0.00 C ATOM 1012 O CYS A 76 13.618 -0.935 -0.624 1.00 0.00 O ATOM 1013 CB CYS A 76 14.413 -4.098 0.489 1.00 0.00 C ATOM 1014 SG CYS A 76 16.028 -4.936 0.541 1.00 0.00 S ATOM 0 H CYS A 76 13.292 -2.310 2.619 1.00 0.00 H new ATOM 0 HA CYS A 76 15.360 -2.112 0.691 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.724 -4.634 1.142 1.00 0.00 H new ATOM 0 HB3 CYS A 76 14.017 -4.174 -0.524 1.00 0.00 H new ATOM 1019 N LEU A 77 12.080 -2.385 0.158 1.00 0.00 N ATOM 1020 CA LEU A 77 10.995 -1.919 -0.735 1.00 0.00 C ATOM 1021 C LEU A 77 9.995 -0.858 -0.227 1.00 0.00 C ATOM 1022 O LEU A 77 9.280 -0.303 -1.059 1.00 0.00 O ATOM 1023 CB LEU A 77 10.188 -3.149 -1.141 1.00 0.00 C ATOM 1024 CG LEU A 77 9.015 -2.904 -2.094 1.00 0.00 C ATOM 1025 CD1 LEU A 77 9.507 -2.310 -3.395 1.00 0.00 C ATOM 1026 CD2 LEU A 77 8.259 -4.191 -2.360 1.00 0.00 C ATOM 0 H LEU A 77 11.789 -3.086 0.839 1.00 0.00 H new ATOM 0 HA LEU A 77 11.526 -1.400 -1.533 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.865 -3.864 -1.608 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.802 -3.619 -0.237 1.00 0.00 H new ATOM 0 HG LEU A 77 8.335 -2.197 -1.620 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.661 -2.142 -4.061 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.006 -1.362 -3.196 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.209 -2.998 -3.866 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.430 -3.992 -3.039 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.931 -4.921 -2.811 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.872 -4.586 -1.421 1.00 0.00 H new ATOM 1038 N TRP A 78 9.924 -0.561 1.072 1.00 0.00 N ATOM 1039 CA TRP A 78 8.922 0.414 1.587 1.00 0.00 C ATOM 1040 C TRP A 78 8.265 1.239 0.481 1.00 0.00 C ATOM 1041 O TRP A 78 7.049 1.063 0.260 1.00 0.00 O ATOM 1042 CB TRP A 78 9.503 1.369 2.641 1.00 0.00 C ATOM 1043 CG TRP A 78 9.375 0.862 4.038 1.00 0.00 C ATOM 1044 CD1 TRP A 78 8.509 -0.083 4.493 1.00 0.00 C ATOM 1045 CD2 TRP A 78 10.156 1.263 5.158 1.00 0.00 C ATOM 1046 NE1 TRP A 78 8.730 -0.326 5.820 1.00 0.00 N ATOM 1047 CE2 TRP A 78 9.735 0.495 6.253 1.00 0.00 C ATOM 1048 CE3 TRP A 78 11.180 2.187 5.333 1.00 0.00 C ATOM 1049 CZ2 TRP A 78 10.309 0.622 7.505 1.00 0.00 C ATOM 1050 CZ3 TRP A 78 11.749 2.321 6.584 1.00 0.00 C ATOM 1051 CH2 TRP A 78 11.314 1.536 7.658 1.00 0.00 C ATOM 1052 OXT TRP A 78 8.966 2.049 -0.155 1.00 0.00 O ATOM 0 H TRP A 78 10.530 -0.965 1.786 1.00 0.00 H new ATOM 0 HA TRP A 78 8.160 -0.208 2.057 1.00 0.00 H new ATOM 0 HB2 TRP A 78 10.556 1.543 2.421 1.00 0.00 H new ATOM 0 HB3 TRP A 78 8.998 2.332 2.565 1.00 0.00 H new ATOM 0 HD1 TRP A 78 7.756 -0.571 3.893 1.00 0.00 H new ATOM 0 HE1 TRP A 78 8.229 -1.006 6.392 1.00 0.00 H new ATOM 0 HE3 TRP A 78 11.524 2.789 4.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 9.974 0.018 8.335 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 12.540 3.041 6.736 1.00 0.00 H new ATOM 0 HH2 TRP A 78 11.781 1.654 8.625 1.00 0.00 H new TER 1063 TRP A 78 ATOM 1064 N ASP B 1 2.155 12.452 -5.016 1.00 0.00 N ATOM 1065 CA ASP B 1 1.770 13.206 -3.796 1.00 0.00 C ATOM 1066 C ASP B 1 2.059 12.388 -2.541 1.00 0.00 C ATOM 1067 O ASP B 1 1.172 11.721 -2.006 1.00 0.00 O ATOM 1068 CB ASP B 1 0.284 13.571 -3.850 1.00 0.00 C ATOM 1069 CG ASP B 1 -0.134 14.469 -2.704 1.00 0.00 C ATOM 1070 OD1 ASP B 1 -0.523 13.937 -1.643 1.00 0.00 O ATOM 1071 OD2 ASP B 1 -0.075 15.706 -2.867 1.00 0.00 O ATOM 0 H1 ASP B 1 2.276 13.114 -5.809 1.00 0.00 H new ATOM 0 H2 ASP B 1 3.049 11.949 -4.846 1.00 0.00 H new ATOM 0 H3 ASP B 1 1.410 11.765 -5.249 1.00 0.00 H new ATOM 0 HA ASP B 1 2.362 14.120 -3.757 1.00 0.00 H new ATOM 0 HB2 ASP B 1 0.070 14.070 -4.795 1.00 0.00 H new ATOM 0 HB3 ASP B 1 -0.312 12.659 -3.829 1.00 0.00 H new ATOM 1078 N GLN B 2 3.304 12.443 -2.075 1.00 0.00 N ATOM 1079 CA GLN B 2 3.708 11.701 -0.887 1.00 0.00 C ATOM 1080 C GLN B 2 5.082 12.156 -0.390 1.00 0.00 C ATOM 1081 O GLN B 2 5.969 12.448 -1.191 1.00 0.00 O ATOM 1082 CB GLN B 2 3.747 10.199 -1.192 1.00 0.00 C ATOM 1083 CG GLN B 2 4.705 9.828 -2.315 1.00 0.00 C ATOM 1084 CD GLN B 2 6.152 9.760 -1.864 1.00 0.00 C ATOM 1085 OE1 GLN B 2 6.442 9.428 -0.717 1.00 0.00 O ATOM 1086 NE2 GLN B 2 7.069 10.078 -2.771 1.00 0.00 N ATOM 0 H GLN B 2 4.049 12.993 -2.502 1.00 0.00 H new ATOM 0 HA GLN B 2 2.975 11.898 -0.105 1.00 0.00 H new ATOM 0 HB2 GLN B 2 4.034 9.661 -0.289 1.00 0.00 H new ATOM 0 HB3 GLN B 2 2.744 9.865 -1.457 1.00 0.00 H new ATOM 0 HG2 GLN B 2 4.414 8.863 -2.729 1.00 0.00 H new ATOM 0 HG3 GLN B 2 4.615 10.559 -3.118 1.00 0.00 H new ATOM 0 HE21 GLN B 2 6.783 10.348 -3.712 1.00 0.00 H new ATOM 0 HE22 GLN B 2 8.059 10.052 -2.526 1.00 0.00 H new ATOM 1095 N PRO B 3 5.272 12.240 0.941 1.00 0.00 N ATOM 1096 CA PRO B 3 6.543 12.630 1.535 1.00 0.00 C ATOM 1097 C PRO B 3 7.441 11.417 1.766 1.00 0.00 C ATOM 1098 O PRO B 3 8.664 11.533 1.841 1.00 0.00 O ATOM 1099 CB PRO B 3 6.136 13.261 2.875 1.00 0.00 C ATOM 1100 CG PRO B 3 4.680 12.938 3.076 1.00 0.00 C ATOM 1101 CD PRO B 3 4.270 11.990 1.980 1.00 0.00 C ATOM 0 HA PRO B 3 7.113 13.305 0.897 1.00 0.00 H new ATOM 0 HB2 PRO B 3 6.738 12.861 3.691 1.00 0.00 H new ATOM 0 HB3 PRO B 3 6.296 14.339 2.860 1.00 0.00 H new ATOM 0 HG2 PRO B 3 4.519 12.485 4.054 1.00 0.00 H new ATOM 0 HG3 PRO B 3 4.078 13.846 3.042 1.00 0.00 H new ATOM 0 HD2 PRO B 3 4.286 10.953 2.316 1.00 0.00 H new ATOM 0 HD3 PRO B 3 3.260 12.195 1.625 1.00 0.00 H new ATOM 1109 N SER B 4 6.804 10.254 1.872 1.00 0.00 N ATOM 1110 CA SER B 4 7.494 8.987 2.094 1.00 0.00 C ATOM 1111 C SER B 4 6.539 7.844 1.807 1.00 0.00 C ATOM 1112 O SER B 4 5.402 8.079 1.414 1.00 0.00 O ATOM 1113 CB SER B 4 7.983 8.879 3.536 1.00 0.00 C ATOM 1114 OG SER B 4 8.748 10.011 3.911 1.00 0.00 O ATOM 0 H SER B 4 5.790 10.164 1.806 1.00 0.00 H new ATOM 0 HA SER B 4 8.356 8.939 1.429 1.00 0.00 H new ATOM 0 HB2 SER B 4 7.128 8.779 4.205 1.00 0.00 H new ATOM 0 HB3 SER B 4 8.585 7.978 3.651 1.00 0.00 H new ATOM 0 HG SER B 4 9.093 10.453 3.108 1.00 0.00 H new ATOM 1120 N VAL B 5 6.990 6.613 1.993 1.00 0.00 N ATOM 1121 CA VAL B 5 6.126 5.468 1.759 1.00 0.00 C ATOM 1122 C VAL B 5 5.149 5.297 2.923 1.00 0.00 C ATOM 1123 O VAL B 5 3.943 5.164 2.717 1.00 0.00 O ATOM 1124 CB VAL B 5 6.928 4.161 1.536 1.00 0.00 C ATOM 1125 CG1 VAL B 5 8.396 4.461 1.251 1.00 0.00 C ATOM 1126 CG2 VAL B 5 6.770 3.200 2.714 1.00 0.00 C ATOM 0 H VAL B 5 7.935 6.383 2.301 1.00 0.00 H new ATOM 0 HA VAL B 5 5.569 5.665 0.843 1.00 0.00 H new ATOM 0 HB VAL B 5 6.516 3.664 0.658 1.00 0.00 H new ATOM 0 HG11 VAL B 5 8.935 3.526 1.098 1.00 0.00 H new ATOM 0 HG12 VAL B 5 8.474 5.076 0.354 1.00 0.00 H new ATOM 0 HG13 VAL B 5 8.829 4.996 2.096 1.00 0.00 H new ATOM 0 HG21 VAL B 5 7.346 2.294 2.524 1.00 0.00 H new ATOM 0 HG22 VAL B 5 7.134 3.677 3.624 1.00 0.00 H new ATOM 0 HG23 VAL B 5 5.718 2.943 2.835 1.00 0.00 H new ATOM 1136 N GLY B 6 5.677 5.312 4.149 1.00 0.00 N ATOM 1137 CA GLY B 6 4.835 5.157 5.320 1.00 0.00 C ATOM 1138 C GLY B 6 3.922 6.350 5.513 1.00 0.00 C ATOM 1139 O GLY B 6 2.733 6.195 5.801 1.00 0.00 O ATOM 0 H GLY B 6 6.671 5.429 4.348 1.00 0.00 H new ATOM 0 HA2 GLY B 6 4.236 4.252 5.221 1.00 0.00 H new ATOM 0 HA3 GLY B 6 5.460 5.030 6.204 1.00 0.00 H new ATOM 1143 N ASP B 7 4.480 7.546 5.347 1.00 0.00 N ATOM 1144 CA ASP B 7 3.703 8.771 5.482 1.00 0.00 C ATOM 1145 C ASP B 7 2.658 8.829 4.384 1.00 0.00 C ATOM 1146 O ASP B 7 1.549 9.324 4.587 1.00 0.00 O ATOM 1147 CB ASP B 7 4.610 9.998 5.397 1.00 0.00 C ATOM 1148 CG ASP B 7 5.519 10.134 6.604 1.00 0.00 C ATOM 1149 OD1 ASP B 7 5.060 10.673 7.633 1.00 0.00 O ATOM 1150 OD2 ASP B 7 6.688 9.703 6.518 1.00 0.00 O ATOM 0 H ASP B 7 5.464 7.691 5.120 1.00 0.00 H new ATOM 0 HA ASP B 7 3.214 8.771 6.456 1.00 0.00 H new ATOM 0 HB2 ASP B 7 5.217 9.935 4.494 1.00 0.00 H new ATOM 0 HB3 ASP B 7 3.996 10.894 5.306 1.00 0.00 H new ATOM 1155 N ALA B 8 3.033 8.323 3.216 1.00 0.00 N ATOM 1156 CA ALA B 8 2.134 8.282 2.078 1.00 0.00 C ATOM 1157 C ALA B 8 0.831 7.634 2.478 1.00 0.00 C ATOM 1158 O ALA B 8 -0.248 8.179 2.252 1.00 0.00 O ATOM 1159 CB ALA B 8 2.751 7.484 0.954 1.00 0.00 C ATOM 0 H ALA B 8 3.959 7.935 3.035 1.00 0.00 H new ATOM 0 HA ALA B 8 1.953 9.303 1.743 1.00 0.00 H new ATOM 0 HB1 ALA B 8 2.067 7.461 0.106 1.00 0.00 H new ATOM 0 HB2 ALA B 8 3.689 7.948 0.650 1.00 0.00 H new ATOM 0 HB3 ALA B 8 2.943 6.466 1.293 1.00 0.00 H new ATOM 1165 N PHE B 9 0.952 6.452 3.071 1.00 0.00 N ATOM 1166 CA PHE B 9 -0.195 5.706 3.518 1.00 0.00 C ATOM 1167 C PHE B 9 -1.112 6.588 4.349 1.00 0.00 C ATOM 1168 O PHE B 9 -2.269 6.747 4.010 1.00 0.00 O ATOM 1169 CB PHE B 9 0.251 4.480 4.297 1.00 0.00 C ATOM 1170 CG PHE B 9 0.425 3.294 3.410 1.00 0.00 C ATOM 1171 CD1 PHE B 9 -0.629 2.436 3.157 1.00 0.00 C ATOM 1172 CD2 PHE B 9 1.639 3.056 2.803 1.00 0.00 C ATOM 1173 CE1 PHE B 9 -0.469 1.362 2.311 1.00 0.00 C ATOM 1174 CE2 PHE B 9 1.806 1.982 1.964 1.00 0.00 C ATOM 1175 CZ PHE B 9 0.754 1.136 1.713 1.00 0.00 C ATOM 0 H PHE B 9 1.846 5.995 3.250 1.00 0.00 H new ATOM 0 HA PHE B 9 -0.760 5.368 2.649 1.00 0.00 H new ATOM 0 HB2 PHE B 9 1.191 4.695 4.806 1.00 0.00 H new ATOM 0 HB3 PHE B 9 -0.484 4.252 5.069 1.00 0.00 H new ATOM 0 HD1 PHE B 9 -1.586 2.610 3.627 1.00 0.00 H new ATOM 0 HD2 PHE B 9 2.469 3.722 2.989 1.00 0.00 H new ATOM 0 HE1 PHE B 9 -1.298 0.698 2.116 1.00 0.00 H new ATOM 0 HE2 PHE B 9 2.765 1.803 1.501 1.00 0.00 H new ATOM 0 HZ PHE B 9 0.884 0.295 1.048 1.00 0.00 H new ATOM 1185 N ASP B 10 -0.573 7.238 5.380 1.00 0.00 N ATOM 1186 CA ASP B 10 -1.397 8.089 6.245 1.00 0.00 C ATOM 1187 C ASP B 10 -2.334 8.937 5.394 1.00 0.00 C ATOM 1188 O ASP B 10 -3.540 9.028 5.659 1.00 0.00 O ATOM 1189 CB ASP B 10 -0.510 8.988 7.108 1.00 0.00 C ATOM 1190 CG ASP B 10 -1.312 9.830 8.079 1.00 0.00 C ATOM 1191 OD1 ASP B 10 -1.761 10.928 7.686 1.00 0.00 O ATOM 1192 OD2 ASP B 10 -1.493 9.393 9.235 1.00 0.00 O ATOM 0 H ASP B 10 0.413 7.195 5.636 1.00 0.00 H new ATOM 0 HA ASP B 10 -1.990 7.454 6.903 1.00 0.00 H new ATOM 0 HB2 ASP B 10 0.196 8.371 7.664 1.00 0.00 H new ATOM 0 HB3 ASP B 10 0.077 9.642 6.463 1.00 0.00 H new ATOM 1197 N LYS B 11 -1.770 9.523 4.350 1.00 0.00 N ATOM 1198 CA LYS B 11 -2.530 10.344 3.419 1.00 0.00 C ATOM 1199 C LYS B 11 -3.566 9.489 2.704 1.00 0.00 C ATOM 1200 O LYS B 11 -4.742 9.845 2.613 1.00 0.00 O ATOM 1201 CB LYS B 11 -1.596 10.976 2.398 1.00 0.00 C ATOM 1202 CG LYS B 11 -2.230 12.089 1.618 1.00 0.00 C ATOM 1203 CD LYS B 11 -1.644 13.363 2.104 1.00 0.00 C ATOM 1204 CE LYS B 11 -2.521 14.563 1.791 1.00 0.00 C ATOM 1205 NZ LYS B 11 -1.839 15.848 2.112 1.00 0.00 N ATOM 0 H LYS B 11 -0.778 9.444 4.124 1.00 0.00 H new ATOM 0 HA LYS B 11 -3.036 11.133 3.976 1.00 0.00 H new ATOM 0 HB2 LYS B 11 -0.714 11.359 2.912 1.00 0.00 H new ATOM 0 HB3 LYS B 11 -1.253 10.207 1.706 1.00 0.00 H new ATOM 0 HG2 LYS B 11 -2.045 11.964 0.551 1.00 0.00 H new ATOM 0 HG3 LYS B 11 -3.311 12.087 1.756 1.00 0.00 H new ATOM 0 HD2 LYS B 11 -1.490 13.301 3.181 1.00 0.00 H new ATOM 0 HD3 LYS B 11 -0.664 13.505 1.649 1.00 0.00 H new ATOM 0 HE2 LYS B 11 -2.792 14.549 0.735 1.00 0.00 H new ATOM 0 HE3 LYS B 11 -3.449 14.493 2.359 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 -2.470 16.642 1.884 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 -1.603 15.872 3.125 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 -0.967 15.927 1.551 1.00 0.00 H new ATOM 1219 N TYR B 12 -3.102 8.352 2.196 1.00 0.00 N ATOM 1220 CA TYR B 12 -3.946 7.407 1.486 1.00 0.00 C ATOM 1221 C TYR B 12 -5.102 6.941 2.326 1.00 0.00 C ATOM 1222 O TYR B 12 -6.250 7.126 1.972 1.00 0.00 O ATOM 1223 CB TYR B 12 -3.168 6.153 1.111 1.00 0.00 C ATOM 1224 CG TYR B 12 -3.911 5.286 0.110 1.00 0.00 C ATOM 1225 CD1 TYR B 12 -4.750 5.858 -0.845 1.00 0.00 C ATOM 1226 CD2 TYR B 12 -3.787 3.901 0.123 1.00 0.00 C ATOM 1227 CE1 TYR B 12 -5.439 5.078 -1.751 1.00 0.00 C ATOM 1228 CE2 TYR B 12 -4.474 3.121 -0.783 1.00 0.00 C ATOM 1229 CZ TYR B 12 -5.299 3.710 -1.714 1.00 0.00 C ATOM 1230 OH TYR B 12 -5.985 2.928 -2.616 1.00 0.00 O ATOM 0 H TYR B 12 -2.127 8.062 2.267 1.00 0.00 H new ATOM 0 HA TYR B 12 -4.302 7.939 0.603 1.00 0.00 H new ATOM 0 HB2 TYR B 12 -2.203 6.439 0.693 1.00 0.00 H new ATOM 0 HB3 TYR B 12 -2.966 5.572 2.011 1.00 0.00 H new ATOM 0 HD1 TYR B 12 -4.863 6.932 -0.876 1.00 0.00 H new ATOM 0 HD2 TYR B 12 -3.144 3.430 0.852 1.00 0.00 H new ATOM 0 HE1 TYR B 12 -6.084 5.539 -2.485 1.00 0.00 H new ATOM 0 HE2 TYR B 12 -4.365 2.047 -0.762 1.00 0.00 H new ATOM 0 HH TYR B 12 -5.854 1.982 -2.395 1.00 0.00 H new ATOM 1240 N ASN B 13 -4.758 6.350 3.452 1.00 0.00 N ATOM 1241 CA ASN B 13 -5.723 5.764 4.362 1.00 0.00 C ATOM 1242 C ASN B 13 -6.974 6.603 4.482 1.00 0.00 C ATOM 1243 O ASN B 13 -8.073 6.124 4.216 1.00 0.00 O ATOM 1244 CB ASN B 13 -5.110 5.607 5.744 1.00 0.00 C ATOM 1245 CG ASN B 13 -3.625 5.267 5.735 1.00 0.00 C ATOM 1246 OD1 ASN B 13 -3.134 4.661 4.653 1.00 0.00 O flip ATOM 1247 ND2 ASN B 13 -2.918 5.547 6.702 1.00 0.00 N flip ATOM 0 H ASN B 13 -3.791 6.262 3.765 1.00 0.00 H new ATOM 0 HA ASN B 13 -5.997 4.792 3.952 1.00 0.00 H new ATOM 0 HB2 ASN B 13 -5.256 6.533 6.301 1.00 0.00 H new ATOM 0 HB3 ASN B 13 -5.647 4.825 6.280 1.00 0.00 H new ATOM 0 HD21 ASN B 13 -3.325 6.011 7.514 1.00 0.00 H new ATOM 0 HD22 ASN B 13 -1.925 5.315 6.692 1.00 0.00 H new ATOM 1254 N GLU B 14 -6.816 7.846 4.886 1.00 0.00 N ATOM 1255 CA GLU B 14 -7.964 8.723 5.017 1.00 0.00 C ATOM 1256 C GLU B 14 -8.730 8.764 3.688 1.00 0.00 C ATOM 1257 O GLU B 14 -9.959 8.715 3.649 1.00 0.00 O ATOM 1258 CB GLU B 14 -7.498 10.128 5.417 1.00 0.00 C ATOM 1259 CG GLU B 14 -7.180 11.017 4.232 1.00 0.00 C ATOM 1260 CD GLU B 14 -6.250 12.160 4.588 1.00 0.00 C ATOM 1261 OE1 GLU B 14 -5.018 11.959 4.544 1.00 0.00 O ATOM 1262 OE2 GLU B 14 -6.753 13.257 4.912 1.00 0.00 O ATOM 0 H GLU B 14 -5.919 8.269 5.126 1.00 0.00 H new ATOM 0 HA GLU B 14 -8.629 8.345 5.793 1.00 0.00 H new ATOM 0 HB2 GLU B 14 -8.273 10.602 6.020 1.00 0.00 H new ATOM 0 HB3 GLU B 14 -6.612 10.043 6.046 1.00 0.00 H new ATOM 0 HG2 GLU B 14 -6.725 10.416 3.445 1.00 0.00 H new ATOM 0 HG3 GLU B 14 -8.108 11.422 3.828 1.00 0.00 H new ATOM 1269 N ALA B 15 -7.964 8.782 2.604 1.00 0.00 N ATOM 1270 CA ALA B 15 -8.493 8.862 1.249 1.00 0.00 C ATOM 1271 C ALA B 15 -9.106 7.557 0.751 1.00 0.00 C ATOM 1272 O ALA B 15 -10.106 7.573 0.041 1.00 0.00 O ATOM 1273 CB ALA B 15 -7.369 9.259 0.306 1.00 0.00 C ATOM 0 H ALA B 15 -6.946 8.741 2.642 1.00 0.00 H new ATOM 0 HA ALA B 15 -9.292 9.603 1.268 1.00 0.00 H new ATOM 0 HB1 ALA B 15 -7.753 9.322 -0.712 1.00 0.00 H new ATOM 0 HB2 ALA B 15 -6.970 10.228 0.604 1.00 0.00 H new ATOM 0 HB3 ALA B 15 -6.577 8.512 0.349 1.00 0.00 H new ATOM 1279 N VAL B 16 -8.519 6.429 1.115 1.00 0.00 N ATOM 1280 CA VAL B 16 -9.002 5.166 0.613 1.00 0.00 C ATOM 1281 C VAL B 16 -10.094 4.609 1.456 1.00 0.00 C ATOM 1282 O VAL B 16 -11.113 4.139 0.950 1.00 0.00 O ATOM 1283 CB VAL B 16 -7.872 4.147 0.440 1.00 0.00 C ATOM 1284 CG1 VAL B 16 -6.883 4.244 1.581 1.00 0.00 C ATOM 1285 CG2 VAL B 16 -8.415 2.732 0.299 1.00 0.00 C ATOM 0 H VAL B 16 -7.720 6.367 1.746 1.00 0.00 H new ATOM 0 HA VAL B 16 -9.419 5.368 -0.374 1.00 0.00 H new ATOM 0 HB VAL B 16 -7.346 4.386 -0.484 1.00 0.00 H new ATOM 0 HG11 VAL B 16 -6.089 3.511 1.438 1.00 0.00 H new ATOM 0 HG12 VAL B 16 -6.453 5.245 1.605 1.00 0.00 H new ATOM 0 HG13 VAL B 16 -7.394 4.046 2.523 1.00 0.00 H new ATOM 0 HG21 VAL B 16 -7.586 2.035 0.178 1.00 0.00 H new ATOM 0 HG22 VAL B 16 -8.983 2.470 1.192 1.00 0.00 H new ATOM 0 HG23 VAL B 16 -9.066 2.677 -0.574 1.00 0.00 H new ATOM 1295 N ARG B 17 -9.880 4.654 2.736 1.00 0.00 N ATOM 1296 CA ARG B 17 -10.853 4.146 3.643 1.00 0.00 C ATOM 1297 C ARG B 17 -12.193 4.778 3.405 1.00 0.00 C ATOM 1298 O ARG B 17 -13.233 4.113 3.459 1.00 0.00 O ATOM 1299 CB ARG B 17 -10.358 4.289 5.074 1.00 0.00 C ATOM 1300 CG ARG B 17 -9.108 3.469 5.350 1.00 0.00 C ATOM 1301 CD ARG B 17 -8.977 2.274 4.415 1.00 0.00 C ATOM 1302 NE ARG B 17 -7.691 2.208 3.802 1.00 0.00 N ATOM 1303 CZ ARG B 17 -7.422 1.380 2.839 1.00 0.00 C ATOM 1304 NH1 ARG B 17 -8.217 0.357 2.586 1.00 0.00 N ATOM 1305 NH2 ARG B 17 -6.336 1.540 2.158 1.00 0.00 N ATOM 0 H ARG B 17 -9.041 5.037 3.171 1.00 0.00 H new ATOM 0 HA ARG B 17 -10.995 3.080 3.465 1.00 0.00 H new ATOM 0 HB2 ARG B 17 -10.150 5.339 5.278 1.00 0.00 H new ATOM 0 HB3 ARG B 17 -11.148 3.981 5.759 1.00 0.00 H new ATOM 0 HG2 ARG B 17 -8.229 4.106 5.246 1.00 0.00 H new ATOM 0 HG3 ARG B 17 -9.128 3.119 6.382 1.00 0.00 H new ATOM 0 HD2 ARG B 17 -9.159 1.356 4.974 1.00 0.00 H new ATOM 0 HD3 ARG B 17 -9.743 2.334 3.642 1.00 0.00 H new ATOM 0 HE ARG B 17 -6.956 2.834 4.132 1.00 0.00 H new ATOM 0 HH11 ARG B 17 -9.054 0.210 3.150 1.00 0.00 H new ATOM 0 HH12 ARG B 17 -7.994 -0.286 1.826 1.00 0.00 H new ATOM 0 HH21 ARG B 17 -5.703 2.309 2.380 1.00 0.00 H new ATOM 0 HH22 ARG B 17 -6.111 0.898 1.398 1.00 0.00 H new ATOM 1319 N VAL B 18 -12.181 6.037 3.075 1.00 0.00 N ATOM 1320 CA VAL B 18 -13.417 6.698 2.812 1.00 0.00 C ATOM 1321 C VAL B 18 -13.964 6.270 1.461 1.00 0.00 C ATOM 1322 O VAL B 18 -15.115 5.895 1.356 1.00 0.00 O ATOM 1323 CB VAL B 18 -13.251 8.226 2.849 1.00 0.00 C ATOM 1324 CG1 VAL B 18 -12.739 8.657 4.213 1.00 0.00 C ATOM 1325 CG2 VAL B 18 -12.311 8.689 1.742 1.00 0.00 C ATOM 0 H VAL B 18 -11.345 6.614 2.984 1.00 0.00 H new ATOM 0 HA VAL B 18 -14.122 6.413 3.593 1.00 0.00 H new ATOM 0 HB VAL B 18 -14.222 8.692 2.680 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -12.624 9.741 4.233 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -13.451 8.354 4.981 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -11.775 8.186 4.405 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -12.206 9.773 1.784 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -11.334 8.224 1.876 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -12.720 8.401 0.773 1.00 0.00 H new ATOM 1335 N PHE B 19 -13.092 6.188 0.464 1.00 0.00 N ATOM 1336 CA PHE B 19 -13.519 5.900 -0.897 1.00 0.00 C ATOM 1337 C PHE B 19 -14.125 4.503 -1.088 1.00 0.00 C ATOM 1338 O PHE B 19 -15.165 4.355 -1.755 1.00 0.00 O ATOM 1339 CB PHE B 19 -12.359 6.228 -1.885 1.00 0.00 C ATOM 1340 CG PHE B 19 -11.365 5.140 -2.256 1.00 0.00 C ATOM 1341 CD1 PHE B 19 -11.747 3.850 -2.551 1.00 0.00 C ATOM 1342 CD2 PHE B 19 -10.019 5.449 -2.326 1.00 0.00 C ATOM 1343 CE1 PHE B 19 -10.815 2.887 -2.887 1.00 0.00 C ATOM 1344 CE2 PHE B 19 -9.081 4.493 -2.662 1.00 0.00 C ATOM 1345 CZ PHE B 19 -9.480 3.209 -2.937 1.00 0.00 C ATOM 0 H PHE B 19 -12.086 6.317 0.573 1.00 0.00 H new ATOM 0 HA PHE B 19 -14.359 6.556 -1.128 1.00 0.00 H new ATOM 0 HB2 PHE B 19 -12.809 6.589 -2.810 1.00 0.00 H new ATOM 0 HB3 PHE B 19 -11.793 7.057 -1.461 1.00 0.00 H new ATOM 0 HD1 PHE B 19 -12.794 3.587 -2.519 1.00 0.00 H new ATOM 0 HD2 PHE B 19 -9.695 6.457 -2.114 1.00 0.00 H new ATOM 0 HE1 PHE B 19 -11.136 1.880 -3.111 1.00 0.00 H new ATOM 0 HE2 PHE B 19 -8.034 4.755 -2.708 1.00 0.00 H new ATOM 0 HZ PHE B 19 -8.749 2.456 -3.191 1.00 0.00 H new ATOM 1355 N THR B 20 -13.555 3.477 -0.472 1.00 0.00 N ATOM 1356 CA THR B 20 -14.081 2.147 -0.711 1.00 0.00 C ATOM 1357 C THR B 20 -15.319 1.854 0.108 1.00 0.00 C ATOM 1358 O THR B 20 -16.334 1.444 -0.456 1.00 0.00 O ATOM 1359 CB THR B 20 -13.040 1.049 -0.513 1.00 0.00 C ATOM 1360 OG1 THR B 20 -12.225 0.957 -1.671 1.00 0.00 O ATOM 1361 CG2 THR B 20 -13.708 -0.283 -0.246 1.00 0.00 C ATOM 0 H THR B 20 -12.764 3.535 0.169 1.00 0.00 H new ATOM 0 HA THR B 20 -14.366 2.142 -1.763 1.00 0.00 H new ATOM 0 HB THR B 20 -12.424 1.302 0.350 1.00 0.00 H new ATOM 0 HG1 THR B 20 -11.815 1.828 -1.853 1.00 0.00 H new ATOM 0 HG21 THR B 20 -12.947 -1.051 -0.108 1.00 0.00 H new ATOM 0 HG22 THR B 20 -14.317 -0.210 0.655 1.00 0.00 H new ATOM 0 HG23 THR B 20 -14.342 -0.548 -1.092 1.00 0.00 H new ATOM 1369 N GLN B 21 -15.274 2.044 1.425 1.00 0.00 N ATOM 1370 CA GLN B 21 -16.469 1.772 2.192 1.00 0.00 C ATOM 1371 C GLN B 21 -17.544 2.747 1.760 1.00 0.00 C ATOM 1372 O GLN B 21 -18.708 2.576 2.080 1.00 0.00 O ATOM 1373 CB GLN B 21 -16.228 1.804 3.706 1.00 0.00 C ATOM 1374 CG GLN B 21 -15.750 0.461 4.287 1.00 0.00 C ATOM 1375 CD GLN B 21 -16.342 -0.741 3.596 1.00 0.00 C ATOM 1376 OE1 GLN B 21 -15.671 -1.197 2.542 1.00 0.00 O flip ATOM 1377 NE2 GLN B 21 -17.385 -1.255 3.999 1.00 0.00 N flip ATOM 0 H GLN B 21 -14.465 2.368 1.954 1.00 0.00 H new ATOM 0 HA GLN B 21 -16.796 0.753 1.987 1.00 0.00 H new ATOM 0 HB2 GLN B 21 -15.487 2.571 3.930 1.00 0.00 H new ATOM 0 HB3 GLN B 21 -17.151 2.097 4.205 1.00 0.00 H new ATOM 0 HG2 GLN B 21 -14.663 0.411 4.217 1.00 0.00 H new ATOM 0 HG3 GLN B 21 -16.004 0.422 5.346 1.00 0.00 H new ATOM 0 HE21 GLN B 21 -17.863 -0.868 4.813 1.00 0.00 H new ATOM 0 HE22 GLN B 21 -17.771 -2.068 3.519 1.00 0.00 H new ATOM 1386 N LEU B 22 -17.149 3.781 1.013 1.00 0.00 N ATOM 1387 CA LEU B 22 -18.126 4.716 0.488 1.00 0.00 C ATOM 1388 C LEU B 22 -19.086 3.926 -0.371 1.00 0.00 C ATOM 1389 O LEU B 22 -20.302 4.084 -0.280 1.00 0.00 O ATOM 1390 CB LEU B 22 -17.483 5.823 -0.368 1.00 0.00 C ATOM 1391 CG LEU B 22 -17.153 7.156 0.333 1.00 0.00 C ATOM 1392 CD1 LEU B 22 -17.837 8.305 -0.379 1.00 0.00 C ATOM 1393 CD2 LEU B 22 -17.528 7.147 1.815 1.00 0.00 C ATOM 0 H LEU B 22 -16.180 3.983 0.766 1.00 0.00 H new ATOM 0 HA LEU B 22 -18.625 5.207 1.323 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -16.560 5.428 -0.793 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -18.152 6.037 -1.202 1.00 0.00 H new ATOM 0 HG LEU B 22 -16.072 7.289 0.280 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -17.596 9.241 0.126 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -17.492 8.350 -1.412 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -18.916 8.152 -0.364 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -17.275 8.109 2.260 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -18.599 6.970 1.918 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -16.979 6.355 2.325 1.00 0.00 H new ATOM 1405 N SER B 23 -18.517 3.053 -1.204 1.00 0.00 N ATOM 1406 CA SER B 23 -19.331 2.214 -2.080 1.00 0.00 C ATOM 1407 C SER B 23 -20.104 1.134 -1.301 1.00 0.00 C ATOM 1408 O SER B 23 -21.316 0.983 -1.483 1.00 0.00 O ATOM 1409 CB SER B 23 -18.472 1.578 -3.179 1.00 0.00 C ATOM 1410 OG SER B 23 -18.198 2.513 -4.208 1.00 0.00 O ATOM 0 H SER B 23 -17.511 2.910 -1.289 1.00 0.00 H new ATOM 0 HA SER B 23 -20.070 2.865 -2.547 1.00 0.00 H new ATOM 0 HB2 SER B 23 -17.537 1.216 -2.752 1.00 0.00 H new ATOM 0 HB3 SER B 23 -18.988 0.713 -3.595 1.00 0.00 H new ATOM 0 HG SER B 23 -17.232 2.672 -4.257 1.00 0.00 H new ATOM 1416 N SER B 24 -19.424 0.383 -0.431 1.00 0.00 N ATOM 1417 CA SER B 24 -20.091 -0.676 0.329 1.00 0.00 C ATOM 1418 C SER B 24 -21.032 -0.118 1.379 1.00 0.00 C ATOM 1419 O SER B 24 -22.206 -0.488 1.418 1.00 0.00 O ATOM 1420 CB SER B 24 -19.079 -1.596 0.986 1.00 0.00 C ATOM 1421 OG SER B 24 -18.039 -0.850 1.573 1.00 0.00 O ATOM 0 H SER B 24 -18.428 0.486 -0.237 1.00 0.00 H new ATOM 0 HA SER B 24 -20.683 -1.248 -0.386 1.00 0.00 H new ATOM 0 HB2 SER B 24 -19.571 -2.204 1.745 1.00 0.00 H new ATOM 0 HB3 SER B 24 -18.668 -2.282 0.245 1.00 0.00 H new ATOM 0 HG SER B 24 -17.219 -1.387 1.588 1.00 0.00 H new ATOM 1427 N ALA B 25 -20.517 0.750 2.248 1.00 0.00 N ATOM 1428 CA ALA B 25 -21.346 1.355 3.277 1.00 0.00 C ATOM 1429 C ALA B 25 -22.610 1.875 2.619 1.00 0.00 C ATOM 1430 O ALA B 25 -23.687 1.873 3.210 1.00 0.00 O ATOM 1431 CB ALA B 25 -20.601 2.479 3.999 1.00 0.00 C ATOM 0 H ALA B 25 -19.541 1.045 2.257 1.00 0.00 H new ATOM 0 HA ALA B 25 -21.599 0.610 4.032 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -21.247 2.912 4.763 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -19.703 2.077 4.468 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -20.321 3.250 3.281 1.00 0.00 H new ATOM 1437 N ALA B 26 -22.455 2.285 1.362 1.00 0.00 N ATOM 1438 CA ALA B 26 -23.565 2.794 0.572 1.00 0.00 C ATOM 1439 C ALA B 26 -24.674 1.760 0.441 1.00 0.00 C ATOM 1440 O ALA B 26 -25.848 2.083 0.624 1.00 0.00 O ATOM 1441 CB ALA B 26 -23.088 3.214 -0.810 1.00 0.00 C ATOM 0 H ALA B 26 -21.562 2.273 0.869 1.00 0.00 H new ATOM 0 HA ALA B 26 -23.967 3.663 1.093 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -23.932 3.592 -1.387 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -22.335 3.996 -0.713 1.00 0.00 H new ATOM 0 HB3 ALA B 26 -22.654 2.355 -1.322 1.00 0.00 H new ATOM 1447 N ASN B 27 -24.311 0.514 0.127 1.00 0.00 N ATOM 1448 CA ASN B 27 -25.329 -0.525 -0.031 1.00 0.00 C ATOM 1449 C ASN B 27 -24.787 -1.959 0.020 1.00 0.00 C ATOM 1450 O ASN B 27 -25.491 -2.856 0.487 1.00 0.00 O ATOM 1451 CB ASN B 27 -26.094 -0.312 -1.342 1.00 0.00 C ATOM 1452 CG ASN B 27 -25.255 -0.575 -2.583 1.00 0.00 C ATOM 1453 OD1 ASN B 27 -23.950 -0.344 -2.489 1.00 0.00 O flip ATOM 1454 ND2 ASN B 27 -25.778 -0.984 -3.619 1.00 0.00 N flip ATOM 0 H ASN B 27 -23.349 0.206 -0.019 1.00 0.00 H new ATOM 0 HA ASN B 27 -25.991 -0.422 0.829 1.00 0.00 H new ATOM 0 HB2 ASN B 27 -26.965 -0.968 -1.356 1.00 0.00 H new ATOM 0 HB3 ASN B 27 -26.466 0.712 -1.374 1.00 0.00 H new ATOM 0 HD21 ASN B 27 -26.784 -1.149 -3.652 1.00 0.00 H new ATOM 0 HD22 ASN B 27 -25.206 -1.158 -4.445 1.00 0.00 H new ATOM 1461 N CYS B 28 -23.557 -2.196 -0.442 1.00 0.00 N ATOM 1462 CA CYS B 28 -23.024 -3.562 -0.454 1.00 0.00 C ATOM 1463 C CYS B 28 -21.561 -3.620 -0.878 1.00 0.00 C ATOM 1464 O CYS B 28 -21.063 -2.719 -1.524 1.00 0.00 O ATOM 1465 CB CYS B 28 -23.859 -4.399 -1.426 1.00 0.00 C ATOM 1466 SG CYS B 28 -22.950 -5.724 -2.279 1.00 0.00 S ATOM 0 H CYS B 28 -22.925 -1.482 -0.804 1.00 0.00 H new ATOM 0 HA CYS B 28 -23.081 -3.951 0.562 1.00 0.00 H new ATOM 0 HB2 CYS B 28 -24.689 -4.844 -0.878 1.00 0.00 H new ATOM 0 HB3 CYS B 28 -24.291 -3.735 -2.175 1.00 0.00 H new ATOM 1471 N ASP B 29 -20.884 -4.700 -0.497 1.00 0.00 N ATOM 1472 CA ASP B 29 -19.483 -4.922 -0.868 1.00 0.00 C ATOM 1473 C ASP B 29 -19.371 -6.129 -1.801 1.00 0.00 C ATOM 1474 O ASP B 29 -20.195 -7.041 -1.725 1.00 0.00 O ATOM 1475 CB ASP B 29 -18.632 -5.157 0.382 1.00 0.00 C ATOM 1476 CG ASP B 29 -19.462 -5.599 1.571 1.00 0.00 C ATOM 1477 OD1 ASP B 29 -19.691 -6.819 1.715 1.00 0.00 O ATOM 1478 OD2 ASP B 29 -19.882 -4.725 2.359 1.00 0.00 O ATOM 0 H ASP B 29 -21.285 -5.444 0.074 1.00 0.00 H new ATOM 0 HA ASP B 29 -19.117 -4.034 -1.384 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -17.877 -5.914 0.168 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -18.100 -4.239 0.634 1.00 0.00 H new ATOM 1483 N TRP B 30 -18.361 -6.152 -2.682 1.00 0.00 N ATOM 1484 CA TRP B 30 -18.212 -7.288 -3.587 1.00 0.00 C ATOM 1485 C TRP B 30 -17.818 -8.513 -2.769 1.00 0.00 C ATOM 1486 O TRP B 30 -18.398 -9.588 -2.923 1.00 0.00 O ATOM 1487 CB TRP B 30 -17.204 -7.012 -4.735 1.00 0.00 C ATOM 1488 CG TRP B 30 -15.879 -6.499 -4.314 1.00 0.00 C ATOM 1489 CD1 TRP B 30 -14.918 -7.113 -3.571 1.00 0.00 C ATOM 1490 CD2 TRP B 30 -15.362 -5.236 -4.678 1.00 0.00 C ATOM 1491 NE1 TRP B 30 -13.850 -6.266 -3.405 1.00 0.00 N ATOM 1492 CE2 TRP B 30 -14.110 -5.105 -4.084 1.00 0.00 C ATOM 1493 CE3 TRP B 30 -15.863 -4.190 -5.441 1.00 0.00 C ATOM 1494 CZ2 TRP B 30 -13.353 -3.960 -4.229 1.00 0.00 C ATOM 1495 CZ3 TRP B 30 -15.113 -3.056 -5.592 1.00 0.00 C ATOM 1496 CH2 TRP B 30 -13.871 -2.943 -4.987 1.00 0.00 C ATOM 0 H TRP B 30 -17.658 -5.420 -2.783 1.00 0.00 H new ATOM 0 HA TRP B 30 -19.167 -7.469 -4.081 1.00 0.00 H new ATOM 0 HB2 TRP B 30 -17.055 -7.936 -5.294 1.00 0.00 H new ATOM 0 HB3 TRP B 30 -17.651 -6.293 -5.422 1.00 0.00 H new ATOM 0 HD1 TRP B 30 -14.985 -8.115 -3.172 1.00 0.00 H new ATOM 0 HE1 TRP B 30 -13.007 -6.467 -2.868 1.00 0.00 H new ATOM 0 HE3 TRP B 30 -16.833 -4.271 -5.909 1.00 0.00 H new ATOM 0 HZ2 TRP B 30 -12.384 -3.869 -3.760 1.00 0.00 H new ATOM 0 HZ3 TRP B 30 -15.493 -2.240 -6.189 1.00 0.00 H new ATOM 0 HH2 TRP B 30 -13.300 -2.035 -5.116 1.00 0.00 H new ATOM 1507 N ALA B 31 -16.848 -8.309 -1.870 1.00 0.00 N ATOM 1508 CA ALA B 31 -16.354 -9.344 -0.962 1.00 0.00 C ATOM 1509 C ALA B 31 -15.568 -10.427 -1.694 1.00 0.00 C ATOM 1510 O ALA B 31 -14.522 -10.884 -1.231 1.00 0.00 O ATOM 1511 CB ALA B 31 -17.516 -9.956 -0.202 1.00 0.00 C ATOM 0 H ALA B 31 -16.381 -7.410 -1.753 1.00 0.00 H new ATOM 0 HA ALA B 31 -15.667 -8.870 -0.261 1.00 0.00 H new ATOM 0 HB1 ALA B 31 -17.144 -10.726 0.473 1.00 0.00 H new ATOM 0 HB2 ALA B 31 -18.022 -9.182 0.375 1.00 0.00 H new ATOM 0 HB3 ALA B 31 -18.218 -10.400 -0.907 1.00 0.00 H new ATOM 1517 N ALA B 32 -16.078 -10.836 -2.836 1.00 0.00 N ATOM 1518 CA ALA B 32 -15.436 -11.868 -3.634 1.00 0.00 C ATOM 1519 C ALA B 32 -14.147 -11.354 -4.265 1.00 0.00 C ATOM 1520 O ALA B 32 -13.124 -12.045 -4.272 1.00 0.00 O ATOM 1521 CB ALA B 32 -16.385 -12.373 -4.709 1.00 0.00 C ATOM 0 H ALA B 32 -16.941 -10.469 -3.238 1.00 0.00 H new ATOM 0 HA ALA B 32 -15.181 -12.695 -2.972 1.00 0.00 H new ATOM 0 HB1 ALA B 32 -15.890 -13.145 -5.298 1.00 0.00 H new ATOM 0 HB2 ALA B 32 -17.277 -12.790 -4.241 1.00 0.00 H new ATOM 0 HB3 ALA B 32 -16.670 -11.547 -5.360 1.00 0.00 H new ATOM 1527 N CYS B 33 -14.196 -10.134 -4.784 1.00 0.00 N ATOM 1528 CA CYS B 33 -13.035 -9.545 -5.431 1.00 0.00 C ATOM 1529 C CYS B 33 -11.911 -9.272 -4.451 1.00 0.00 C ATOM 1530 O CYS B 33 -10.763 -9.578 -4.728 1.00 0.00 O ATOM 1531 CB CYS B 33 -13.400 -8.260 -6.154 1.00 0.00 C ATOM 1532 SG CYS B 33 -12.828 -8.220 -7.887 1.00 0.00 S ATOM 0 H CYS B 33 -15.023 -9.537 -4.769 1.00 0.00 H new ATOM 0 HA CYS B 33 -12.684 -10.278 -6.157 1.00 0.00 H new ATOM 0 HB2 CYS B 33 -14.483 -8.134 -6.133 1.00 0.00 H new ATOM 0 HB3 CYS B 33 -12.970 -7.414 -5.617 1.00 0.00 H new ATOM 1537 N LEU B 34 -12.215 -8.686 -3.312 1.00 0.00 N ATOM 1538 CA LEU B 34 -11.166 -8.407 -2.354 1.00 0.00 C ATOM 1539 C LEU B 34 -10.378 -9.673 -2.063 1.00 0.00 C ATOM 1540 O LEU B 34 -9.151 -9.644 -1.995 1.00 0.00 O ATOM 1541 CB LEU B 34 -11.721 -7.774 -1.090 1.00 0.00 C ATOM 1542 CG LEU B 34 -13.108 -8.253 -0.697 1.00 0.00 C ATOM 1543 CD1 LEU B 34 -13.011 -9.277 0.418 1.00 0.00 C ATOM 1544 CD2 LEU B 34 -13.972 -7.079 -0.287 1.00 0.00 C ATOM 0 H LEU B 34 -13.153 -8.400 -3.031 1.00 0.00 H new ATOM 0 HA LEU B 34 -10.482 -7.678 -2.788 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -11.035 -7.976 -0.267 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -11.749 -6.693 -1.224 1.00 0.00 H new ATOM 0 HG LEU B 34 -13.576 -8.732 -1.557 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -14.011 -9.613 0.691 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -12.422 -10.129 0.079 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -12.530 -8.826 1.286 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -14.963 -7.437 -0.008 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -13.517 -6.572 0.563 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -14.059 -6.383 -1.121 1.00 0.00 H new ATOM 1556 N SER B 35 -11.077 -10.789 -1.912 1.00 0.00 N ATOM 1557 CA SER B 35 -10.402 -12.058 -1.693 1.00 0.00 C ATOM 1558 C SER B 35 -9.366 -12.253 -2.795 1.00 0.00 C ATOM 1559 O SER B 35 -8.284 -12.795 -2.573 1.00 0.00 O ATOM 1560 CB SER B 35 -11.409 -13.204 -1.729 1.00 0.00 C ATOM 1561 OG SER B 35 -12.419 -13.030 -0.749 1.00 0.00 O ATOM 0 H SER B 35 -12.095 -10.842 -1.937 1.00 0.00 H new ATOM 0 HA SER B 35 -9.918 -12.051 -0.717 1.00 0.00 H new ATOM 0 HB2 SER B 35 -11.864 -13.261 -2.718 1.00 0.00 H new ATOM 0 HB3 SER B 35 -10.894 -14.150 -1.560 1.00 0.00 H new ATOM 0 HG SER B 35 -13.052 -12.344 -1.049 1.00 0.00 H new ATOM 1567 N SER B 36 -9.734 -11.790 -3.988 1.00 0.00 N ATOM 1568 CA SER B 36 -8.877 -11.871 -5.176 1.00 0.00 C ATOM 1569 C SER B 36 -7.479 -11.282 -4.927 1.00 0.00 C ATOM 1570 O SER B 36 -6.480 -11.873 -5.333 1.00 0.00 O ATOM 1571 CB SER B 36 -9.547 -11.159 -6.357 1.00 0.00 C ATOM 1572 OG SER B 36 -9.174 -11.745 -7.592 1.00 0.00 O ATOM 0 H SER B 36 -10.636 -11.347 -4.162 1.00 0.00 H new ATOM 0 HA SER B 36 -8.746 -12.927 -5.412 1.00 0.00 H new ATOM 0 HB2 SER B 36 -10.630 -11.203 -6.244 1.00 0.00 H new ATOM 0 HB3 SER B 36 -9.269 -10.105 -6.354 1.00 0.00 H new ATOM 0 HG SER B 36 -9.618 -11.271 -8.326 1.00 0.00 H new ATOM 1578 N LEU B 37 -7.396 -10.114 -4.278 1.00 0.00 N ATOM 1579 CA LEU B 37 -6.082 -9.515 -3.992 1.00 0.00 C ATOM 1580 C LEU B 37 -5.383 -10.376 -2.964 1.00 0.00 C ATOM 1581 O LEU B 37 -4.218 -10.742 -3.116 1.00 0.00 O ATOM 1582 CB LEU B 37 -6.171 -8.072 -3.469 1.00 0.00 C ATOM 1583 CG LEU B 37 -4.906 -7.584 -2.766 1.00 0.00 C ATOM 1584 CD1 LEU B 37 -3.738 -7.548 -3.727 1.00 0.00 C ATOM 1585 CD2 LEU B 37 -5.107 -6.229 -2.137 1.00 0.00 C ATOM 0 H LEU B 37 -8.197 -9.576 -3.948 1.00 0.00 H new ATOM 0 HA LEU B 37 -5.528 -9.472 -4.930 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -6.389 -7.407 -4.305 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -7.010 -7.999 -2.777 1.00 0.00 H new ATOM 0 HG LEU B 37 -4.683 -8.293 -1.969 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -2.848 -7.197 -3.205 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -3.558 -8.549 -4.119 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -3.965 -6.871 -4.551 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -4.186 -5.915 -1.646 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -5.372 -5.506 -2.908 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -5.909 -6.285 -1.401 1.00 0.00 H new ATOM 1597 N SER B 38 -6.122 -10.696 -1.910 1.00 0.00 N ATOM 1598 CA SER B 38 -5.618 -11.547 -0.848 1.00 0.00 C ATOM 1599 C SER B 38 -5.456 -12.972 -1.365 1.00 0.00 C ATOM 1600 O SER B 38 -5.166 -13.897 -0.611 1.00 0.00 O ATOM 1601 CB SER B 38 -6.570 -11.505 0.353 1.00 0.00 C ATOM 1602 OG SER B 38 -6.503 -12.696 1.114 1.00 0.00 O ATOM 0 H SER B 38 -7.080 -10.374 -1.770 1.00 0.00 H new ATOM 0 HA SER B 38 -4.643 -11.184 -0.523 1.00 0.00 H new ATOM 0 HB2 SER B 38 -6.320 -10.654 0.986 1.00 0.00 H new ATOM 0 HB3 SER B 38 -7.591 -11.353 0.003 1.00 0.00 H new ATOM 0 HG SER B 38 -5.855 -13.308 0.707 1.00 0.00 H new ATOM 1608 N ALA B 39 -5.654 -13.131 -2.670 1.00 0.00 N ATOM 1609 CA ALA B 39 -5.522 -14.423 -3.326 1.00 0.00 C ATOM 1610 C ALA B 39 -4.202 -14.494 -4.083 1.00 0.00 C ATOM 1611 O ALA B 39 -3.362 -15.340 -3.778 1.00 0.00 O ATOM 1612 CB ALA B 39 -6.694 -14.667 -4.265 1.00 0.00 C ATOM 0 H ALA B 39 -5.909 -12.369 -3.299 1.00 0.00 H new ATOM 0 HA ALA B 39 -5.528 -15.204 -2.566 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -6.578 -15.638 -4.747 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -7.624 -14.652 -3.697 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -6.720 -13.886 -5.025 1.00 0.00 H new ATOM 1618 N SER B 40 -4.041 -13.590 -5.069 1.00 0.00 N ATOM 1619 CA SER B 40 -2.822 -13.491 -5.890 1.00 0.00 C ATOM 1620 C SER B 40 -3.118 -12.946 -7.280 1.00 0.00 C ATOM 1621 O SER B 40 -3.953 -13.483 -8.008 1.00 0.00 O ATOM 1622 CB SER B 40 -2.114 -14.843 -6.038 1.00 0.00 C ATOM 1623 OG SER B 40 -3.003 -15.836 -6.520 1.00 0.00 O ATOM 0 H SER B 40 -4.756 -12.906 -5.318 1.00 0.00 H new ATOM 0 HA SER B 40 -2.166 -12.800 -5.361 1.00 0.00 H new ATOM 0 HB2 SER B 40 -1.271 -14.742 -6.722 1.00 0.00 H new ATOM 0 HB3 SER B 40 -1.708 -15.151 -5.075 1.00 0.00 H new ATOM 0 HG SER B 40 -3.672 -15.421 -7.103 1.00 0.00 H new ATOM 1629 N SER B 41 -2.422 -11.871 -7.638 1.00 0.00 N ATOM 1630 CA SER B 41 -2.568 -11.268 -8.953 1.00 0.00 C ATOM 1631 C SER B 41 -1.201 -11.148 -9.599 1.00 0.00 C ATOM 1632 O SER B 41 -0.269 -10.617 -8.998 1.00 0.00 O ATOM 1633 CB SER B 41 -3.218 -9.885 -8.867 1.00 0.00 C ATOM 1634 OG SER B 41 -4.132 -9.818 -7.785 1.00 0.00 O ATOM 0 H SER B 41 -1.750 -11.401 -7.032 1.00 0.00 H new ATOM 0 HA SER B 41 -3.216 -11.906 -9.554 1.00 0.00 H new ATOM 0 HB2 SER B 41 -2.447 -9.124 -8.744 1.00 0.00 H new ATOM 0 HB3 SER B 41 -3.737 -9.665 -9.800 1.00 0.00 H new ATOM 0 HG SER B 41 -3.785 -9.208 -7.101 1.00 0.00 H new ATOM 1640 N ALA B 42 -1.089 -11.639 -10.825 1.00 0.00 N ATOM 1641 CA ALA B 42 0.172 -11.591 -11.559 1.00 0.00 C ATOM 1642 C ALA B 42 0.670 -10.158 -11.668 1.00 0.00 C ATOM 1643 O ALA B 42 1.789 -9.902 -12.110 1.00 0.00 O ATOM 1644 CB ALA B 42 0.000 -12.193 -12.943 1.00 0.00 C ATOM 0 H ALA B 42 -1.856 -12.076 -11.335 1.00 0.00 H new ATOM 0 HA ALA B 42 0.912 -12.175 -11.012 1.00 0.00 H new ATOM 0 HB1 ALA B 42 0.948 -12.150 -13.479 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -0.318 -13.231 -12.851 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -0.753 -11.630 -13.494 1.00 0.00 H new ATOM 1650 N ALA B 43 -0.186 -9.235 -11.257 1.00 0.00 N ATOM 1651 CA ALA B 43 0.114 -7.818 -11.310 1.00 0.00 C ATOM 1652 C ALA B 43 0.846 -7.316 -10.071 1.00 0.00 C ATOM 1653 O ALA B 43 1.942 -6.790 -10.191 1.00 0.00 O ATOM 1654 CB ALA B 43 -1.177 -7.044 -11.530 1.00 0.00 C ATOM 0 H ALA B 43 -1.108 -9.450 -10.878 1.00 0.00 H new ATOM 0 HA ALA B 43 0.795 -7.653 -12.145 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -0.959 -5.977 -11.571 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -1.634 -7.357 -12.469 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -1.865 -7.242 -10.708 1.00 0.00 H new ATOM 1660 N CYS B 44 0.251 -7.490 -8.891 1.00 0.00 N ATOM 1661 CA CYS B 44 0.865 -7.022 -7.640 1.00 0.00 C ATOM 1662 C CYS B 44 2.375 -7.265 -7.632 1.00 0.00 C ATOM 1663 O CYS B 44 3.151 -6.454 -7.119 1.00 0.00 O ATOM 1664 CB CYS B 44 0.218 -7.721 -6.441 1.00 0.00 C ATOM 1665 SG CYS B 44 -1.172 -6.822 -5.684 1.00 0.00 S ATOM 0 H CYS B 44 -0.652 -7.949 -8.771 1.00 0.00 H new ATOM 0 HA CYS B 44 0.696 -5.948 -7.568 1.00 0.00 H new ATOM 0 HB2 CYS B 44 -0.134 -8.703 -6.758 1.00 0.00 H new ATOM 0 HB3 CYS B 44 0.981 -7.886 -5.681 1.00 0.00 H new ATOM 1670 N ILE B 45 2.785 -8.383 -8.211 1.00 0.00 N ATOM 1671 CA ILE B 45 4.194 -8.747 -8.269 1.00 0.00 C ATOM 1672 C ILE B 45 4.907 -8.073 -9.442 1.00 0.00 C ATOM 1673 O ILE B 45 5.961 -7.417 -9.275 1.00 0.00 O ATOM 1674 CB ILE B 45 4.376 -10.273 -8.344 1.00 0.00 C ATOM 1675 CG1 ILE B 45 3.109 -10.987 -7.863 1.00 0.00 C ATOM 1676 CG2 ILE B 45 5.569 -10.701 -7.505 1.00 0.00 C ATOM 1677 CD1 ILE B 45 2.390 -11.747 -8.956 1.00 0.00 C ATOM 0 H ILE B 45 2.159 -9.058 -8.650 1.00 0.00 H new ATOM 0 HA ILE B 45 4.650 -8.389 -7.346 1.00 0.00 H new ATOM 0 HB ILE B 45 4.558 -10.550 -9.382 1.00 0.00 H new ATOM 0 HG12 ILE B 45 3.373 -11.680 -7.064 1.00 0.00 H new ATOM 0 HG13 ILE B 45 2.428 -10.252 -7.435 1.00 0.00 H new ATOM 0 HG21 ILE B 45 5.687 -11.783 -7.566 1.00 0.00 H new ATOM 0 HG22 ILE B 45 6.470 -10.216 -7.880 1.00 0.00 H new ATOM 0 HG23 ILE B 45 5.406 -10.412 -6.467 1.00 0.00 H new ATOM 0 HD11 ILE B 45 1.503 -12.227 -8.542 1.00 0.00 H new ATOM 0 HD12 ILE B 45 2.094 -11.056 -9.745 1.00 0.00 H new ATOM 0 HD13 ILE B 45 3.054 -12.506 -9.369 1.00 0.00 H new ATOM 1689 N ALA B 46 4.328 -8.204 -10.635 1.00 0.00 N ATOM 1690 CA ALA B 46 4.926 -7.574 -11.808 1.00 0.00 C ATOM 1691 C ALA B 46 5.075 -6.102 -11.483 1.00 0.00 C ATOM 1692 O ALA B 46 5.890 -5.356 -12.043 1.00 0.00 O ATOM 1693 CB ALA B 46 4.060 -7.787 -13.039 1.00 0.00 C ATOM 0 H ALA B 46 3.470 -8.726 -10.812 1.00 0.00 H new ATOM 0 HA ALA B 46 5.896 -8.015 -12.037 1.00 0.00 H new ATOM 0 HB1 ALA B 46 4.527 -7.308 -13.900 1.00 0.00 H new ATOM 0 HB2 ALA B 46 3.956 -8.855 -13.230 1.00 0.00 H new ATOM 0 HB3 ALA B 46 3.075 -7.351 -12.871 1.00 0.00 H new ATOM 1699 N ALA B 47 4.268 -5.725 -10.513 1.00 0.00 N ATOM 1700 CA ALA B 47 4.218 -4.390 -9.997 1.00 0.00 C ATOM 1701 C ALA B 47 5.491 -4.064 -9.248 1.00 0.00 C ATOM 1702 O ALA B 47 6.086 -3.009 -9.459 1.00 0.00 O ATOM 1703 CB ALA B 47 3.028 -4.272 -9.076 1.00 0.00 C ATOM 0 H ALA B 47 3.615 -6.362 -10.056 1.00 0.00 H new ATOM 0 HA ALA B 47 4.120 -3.684 -10.821 1.00 0.00 H new ATOM 0 HB1 ALA B 47 2.977 -3.260 -8.675 1.00 0.00 H new ATOM 0 HB2 ALA B 47 2.115 -4.489 -9.631 1.00 0.00 H new ATOM 0 HB3 ALA B 47 3.131 -4.982 -8.256 1.00 0.00 H new ATOM 1709 N VAL B 48 5.920 -4.985 -8.383 1.00 0.00 N ATOM 1710 CA VAL B 48 7.130 -4.776 -7.594 1.00 0.00 C ATOM 1711 C VAL B 48 8.200 -4.142 -8.441 1.00 0.00 C ATOM 1712 O VAL B 48 8.982 -3.321 -7.970 1.00 0.00 O ATOM 1713 CB VAL B 48 7.697 -6.095 -7.031 1.00 0.00 C ATOM 1714 CG1 VAL B 48 8.835 -5.820 -6.058 1.00 0.00 C ATOM 1715 CG2 VAL B 48 6.611 -6.917 -6.368 1.00 0.00 C ATOM 0 H VAL B 48 5.451 -5.875 -8.214 1.00 0.00 H new ATOM 0 HA VAL B 48 6.849 -4.127 -6.764 1.00 0.00 H new ATOM 0 HB VAL B 48 8.092 -6.674 -7.866 1.00 0.00 H new ATOM 0 HG11 VAL B 48 9.220 -6.764 -5.673 1.00 0.00 H new ATOM 0 HG12 VAL B 48 9.633 -5.285 -6.573 1.00 0.00 H new ATOM 0 HG13 VAL B 48 8.467 -5.213 -5.230 1.00 0.00 H new ATOM 0 HG21 VAL B 48 7.040 -7.841 -5.980 1.00 0.00 H new ATOM 0 HG22 VAL B 48 6.173 -6.348 -5.548 1.00 0.00 H new ATOM 0 HG23 VAL B 48 5.837 -7.154 -7.098 1.00 0.00 H new ATOM 1725 N GLY B 49 8.232 -4.540 -9.690 1.00 0.00 N ATOM 1726 CA GLY B 49 9.227 -3.993 -10.597 1.00 0.00 C ATOM 1727 C GLY B 49 8.840 -2.701 -11.321 1.00 0.00 C ATOM 1728 O GLY B 49 9.718 -1.945 -11.726 1.00 0.00 O ATOM 0 H GLY B 49 7.598 -5.225 -10.101 1.00 0.00 H new ATOM 0 HA2 GLY B 49 10.141 -3.810 -10.033 1.00 0.00 H new ATOM 0 HA3 GLY B 49 9.461 -4.749 -11.346 1.00 0.00 H new ATOM 1732 N GLU B 50 7.548 -2.416 -11.460 1.00 0.00 N ATOM 1733 CA GLU B 50 7.117 -1.266 -12.271 1.00 0.00 C ATOM 1734 C GLU B 50 6.700 0.056 -11.593 1.00 0.00 C ATOM 1735 O GLU B 50 5.867 0.758 -12.153 1.00 0.00 O ATOM 1736 CB GLU B 50 6.097 -1.727 -13.285 1.00 0.00 C ATOM 1737 CG GLU B 50 6.776 -2.513 -14.371 1.00 0.00 C ATOM 1738 CD GLU B 50 6.495 -1.968 -15.758 1.00 0.00 C ATOM 1739 OE1 GLU B 50 7.085 -0.926 -16.118 1.00 0.00 O ATOM 1740 OE2 GLU B 50 5.687 -2.583 -16.486 1.00 0.00 O ATOM 0 H GLU B 50 6.790 -2.949 -11.034 1.00 0.00 H new ATOM 0 HA GLU B 50 8.051 -0.937 -12.727 1.00 0.00 H new ATOM 0 HB2 GLU B 50 5.339 -2.341 -12.798 1.00 0.00 H new ATOM 0 HB3 GLU B 50 5.583 -0.867 -13.714 1.00 0.00 H new ATOM 0 HG2 GLU B 50 7.852 -2.510 -14.196 1.00 0.00 H new ATOM 0 HG3 GLU B 50 6.448 -3.551 -14.321 1.00 0.00 H new ATOM 1747 N LEU B 51 7.146 0.339 -10.368 1.00 0.00 N ATOM 1748 CA LEU B 51 6.881 1.653 -9.715 1.00 0.00 C ATOM 1749 C LEU B 51 5.843 1.561 -8.638 1.00 0.00 C ATOM 1750 O LEU B 51 4.628 1.444 -8.901 1.00 0.00 O ATOM 1751 CB LEU B 51 6.519 2.765 -10.690 1.00 0.00 C ATOM 1752 CG LEU B 51 6.684 4.178 -10.128 1.00 0.00 C ATOM 1753 CD1 LEU B 51 8.155 4.529 -9.934 1.00 0.00 C ATOM 1754 CD2 LEU B 51 5.991 5.202 -11.016 1.00 0.00 C ATOM 0 H LEU B 51 7.690 -0.309 -9.799 1.00 0.00 H new ATOM 0 HA LEU B 51 7.834 1.922 -9.260 1.00 0.00 H new ATOM 0 HB2 LEU B 51 7.140 2.667 -11.581 1.00 0.00 H new ATOM 0 HB3 LEU B 51 5.484 2.632 -11.006 1.00 0.00 H new ATOM 0 HG LEU B 51 6.206 4.203 -9.149 1.00 0.00 H new ATOM 0 HD11 LEU B 51 8.238 5.539 -9.534 1.00 0.00 H new ATOM 0 HD12 LEU B 51 8.608 3.824 -9.237 1.00 0.00 H new ATOM 0 HD13 LEU B 51 8.671 4.475 -10.892 1.00 0.00 H new ATOM 0 HD21 LEU B 51 6.123 6.198 -10.594 1.00 0.00 H new ATOM 0 HD22 LEU B 51 6.425 5.170 -12.015 1.00 0.00 H new ATOM 0 HD23 LEU B 51 4.927 4.972 -11.075 1.00 0.00 H new ATOM 1766 N GLY B 52 6.373 1.637 -7.414 1.00 0.00 N ATOM 1767 CA GLY B 52 5.598 1.515 -6.211 1.00 0.00 C ATOM 1768 C GLY B 52 4.705 0.344 -6.317 1.00 0.00 C ATOM 1769 O GLY B 52 3.789 0.165 -5.519 1.00 0.00 O ATOM 0 H GLY B 52 7.368 1.787 -7.246 1.00 0.00 H new ATOM 0 HA2 GLY B 52 6.258 1.406 -5.350 1.00 0.00 H new ATOM 0 HA3 GLY B 52 5.011 2.420 -6.050 1.00 0.00 H new ATOM 1773 N LEU B 53 5.025 -0.450 -7.329 1.00 0.00 N ATOM 1774 CA LEU B 53 4.315 -1.639 -7.675 1.00 0.00 C ATOM 1775 C LEU B 53 3.312 -1.289 -8.755 1.00 0.00 C ATOM 1776 O LEU B 53 2.119 -1.555 -8.606 1.00 0.00 O ATOM 1777 CB LEU B 53 3.641 -2.301 -6.466 1.00 0.00 C ATOM 1778 CG LEU B 53 4.553 -2.650 -5.269 1.00 0.00 C ATOM 1779 CD1 LEU B 53 4.365 -4.103 -4.853 1.00 0.00 C ATOM 1780 CD2 LEU B 53 6.018 -2.376 -5.578 1.00 0.00 C ATOM 0 H LEU B 53 5.817 -0.263 -7.944 1.00 0.00 H new ATOM 0 HA LEU B 53 5.023 -2.380 -8.047 1.00 0.00 H new ATOM 0 HB2 LEU B 53 2.852 -1.638 -6.111 1.00 0.00 H new ATOM 0 HB3 LEU B 53 3.158 -3.218 -6.805 1.00 0.00 H new ATOM 0 HG LEU B 53 4.261 -2.005 -4.440 1.00 0.00 H new ATOM 0 HD11 LEU B 53 5.017 -4.327 -4.009 1.00 0.00 H new ATOM 0 HD12 LEU B 53 3.327 -4.267 -4.564 1.00 0.00 H new ATOM 0 HD13 LEU B 53 4.616 -4.756 -5.689 1.00 0.00 H new ATOM 0 HD21 LEU B 53 6.627 -2.634 -4.712 1.00 0.00 H new ATOM 0 HD22 LEU B 53 6.328 -2.978 -6.432 1.00 0.00 H new ATOM 0 HD23 LEU B 53 6.149 -1.319 -5.812 1.00 0.00 H new ATOM 1792 N ASP B 54 3.818 -0.684 -9.853 1.00 0.00 N ATOM 1793 CA ASP B 54 2.972 -0.274 -10.969 1.00 0.00 C ATOM 1794 C ASP B 54 1.538 -0.275 -10.540 1.00 0.00 C ATOM 1795 O ASP B 54 0.919 -1.331 -10.506 1.00 0.00 O ATOM 1796 CB ASP B 54 3.117 -1.229 -12.142 1.00 0.00 C ATOM 1797 CG ASP B 54 2.946 -0.539 -13.482 1.00 0.00 C ATOM 1798 OD1 ASP B 54 3.761 0.352 -13.800 1.00 0.00 O ATOM 1799 OD2 ASP B 54 1.995 -0.889 -14.212 1.00 0.00 O ATOM 0 H ASP B 54 4.808 -0.474 -9.979 1.00 0.00 H new ATOM 0 HA ASP B 54 3.282 0.725 -11.276 1.00 0.00 H new ATOM 0 HB2 ASP B 54 4.099 -1.700 -12.103 1.00 0.00 H new ATOM 0 HB3 ASP B 54 2.378 -2.025 -12.051 1.00 0.00 H new ATOM 1804 N VAL B 55 1.009 0.874 -10.175 1.00 0.00 N ATOM 1805 CA VAL B 55 -0.388 0.903 -9.743 1.00 0.00 C ATOM 1806 C VAL B 55 -1.265 0.037 -10.635 1.00 0.00 C ATOM 1807 O VAL B 55 -2.053 -0.746 -10.108 1.00 0.00 O ATOM 1808 CB VAL B 55 -1.006 2.317 -9.634 1.00 0.00 C ATOM 1809 CG1 VAL B 55 -1.885 2.656 -10.840 1.00 0.00 C ATOM 1810 CG2 VAL B 55 -1.814 2.412 -8.347 1.00 0.00 C ATOM 0 H VAL B 55 1.495 1.771 -10.165 1.00 0.00 H new ATOM 0 HA VAL B 55 -0.362 0.498 -8.731 1.00 0.00 H new ATOM 0 HB VAL B 55 -0.193 3.043 -9.619 1.00 0.00 H new ATOM 0 HG11 VAL B 55 -2.297 3.658 -10.720 1.00 0.00 H new ATOM 0 HG12 VAL B 55 -1.286 2.617 -11.750 1.00 0.00 H new ATOM 0 HG13 VAL B 55 -2.699 1.935 -10.911 1.00 0.00 H new ATOM 0 HG21 VAL B 55 -2.252 3.407 -8.265 1.00 0.00 H new ATOM 0 HG22 VAL B 55 -2.608 1.666 -8.360 1.00 0.00 H new ATOM 0 HG23 VAL B 55 -1.161 2.232 -7.493 1.00 0.00 H new ATOM 1820 N PRO B 56 -1.123 0.124 -11.994 1.00 0.00 N ATOM 1821 CA PRO B 56 -1.947 -0.672 -12.903 1.00 0.00 C ATOM 1822 C PRO B 56 -1.828 -2.140 -12.570 1.00 0.00 C ATOM 1823 O PRO B 56 -2.657 -2.956 -12.973 1.00 0.00 O ATOM 1824 CB PRO B 56 -1.366 -0.383 -14.292 1.00 0.00 C ATOM 1825 CG PRO B 56 -0.671 0.923 -14.144 1.00 0.00 C ATOM 1826 CD PRO B 56 -0.137 0.939 -12.742 1.00 0.00 C ATOM 0 HA PRO B 56 -3.006 -0.424 -12.837 1.00 0.00 H new ATOM 0 HB2 PRO B 56 -0.675 -1.166 -14.604 1.00 0.00 H new ATOM 0 HB3 PRO B 56 -2.151 -0.331 -15.047 1.00 0.00 H new ATOM 0 HG2 PRO B 56 0.135 1.023 -14.871 1.00 0.00 H new ATOM 0 HG3 PRO B 56 -1.357 1.753 -14.312 1.00 0.00 H new ATOM 0 HD2 PRO B 56 0.864 0.510 -12.687 1.00 0.00 H new ATOM 0 HD3 PRO B 56 -0.071 1.953 -12.348 1.00 0.00 H new ATOM 1834 N LEU B 57 -0.748 -2.476 -11.884 1.00 0.00 N ATOM 1835 CA LEU B 57 -0.523 -3.831 -11.460 1.00 0.00 C ATOM 1836 C LEU B 57 -0.972 -4.080 -10.023 1.00 0.00 C ATOM 1837 O LEU B 57 -2.005 -4.684 -9.803 1.00 0.00 O ATOM 1838 CB LEU B 57 0.939 -4.224 -11.623 1.00 0.00 C ATOM 1839 CG LEU B 57 1.492 -4.118 -13.050 1.00 0.00 C ATOM 1840 CD1 LEU B 57 2.945 -4.550 -13.095 1.00 0.00 C ATOM 1841 CD2 LEU B 57 0.665 -4.954 -14.015 1.00 0.00 C ATOM 0 H LEU B 57 -0.016 -1.820 -11.612 1.00 0.00 H new ATOM 0 HA LEU B 57 -1.135 -4.458 -12.109 1.00 0.00 H new ATOM 0 HB2 LEU B 57 1.542 -3.594 -10.970 1.00 0.00 H new ATOM 0 HB3 LEU B 57 1.063 -5.251 -11.279 1.00 0.00 H new ATOM 0 HG LEU B 57 1.430 -3.074 -13.358 1.00 0.00 H new ATOM 0 HD11 LEU B 57 3.318 -4.467 -14.116 1.00 0.00 H new ATOM 0 HD12 LEU B 57 3.536 -3.909 -12.440 1.00 0.00 H new ATOM 0 HD13 LEU B 57 3.028 -5.584 -12.761 1.00 0.00 H new ATOM 0 HD21 LEU B 57 1.076 -4.863 -15.020 1.00 0.00 H new ATOM 0 HD22 LEU B 57 0.691 -5.999 -13.706 1.00 0.00 H new ATOM 0 HD23 LEU B 57 -0.366 -4.600 -14.011 1.00 0.00 H new ATOM 1853 N ASP B 58 -0.186 -3.585 -9.058 1.00 0.00 N ATOM 1854 CA ASP B 58 -0.436 -3.811 -7.624 1.00 0.00 C ATOM 1855 C ASP B 58 -1.702 -3.212 -7.063 1.00 0.00 C ATOM 1856 O ASP B 58 -2.539 -3.938 -6.551 1.00 0.00 O ATOM 1857 CB ASP B 58 0.724 -3.279 -6.815 1.00 0.00 C ATOM 1858 CG ASP B 58 0.468 -3.301 -5.320 1.00 0.00 C ATOM 1859 OD1 ASP B 58 -0.467 -4.003 -4.885 1.00 0.00 O ATOM 1860 OD2 ASP B 58 1.202 -2.609 -4.585 1.00 0.00 O ATOM 0 H ASP B 58 0.640 -3.017 -9.246 1.00 0.00 H new ATOM 0 HA ASP B 58 -0.554 -4.892 -7.545 1.00 0.00 H new ATOM 0 HB2 ASP B 58 1.613 -3.870 -7.034 1.00 0.00 H new ATOM 0 HB3 ASP B 58 0.937 -2.256 -7.126 1.00 0.00 H new ATOM 1865 N LEU B 59 -1.833 -1.905 -7.099 1.00 0.00 N ATOM 1866 CA LEU B 59 -3.008 -1.293 -6.517 1.00 0.00 C ATOM 1867 C LEU B 59 -4.179 -1.542 -7.391 1.00 0.00 C ATOM 1868 O LEU B 59 -5.304 -1.278 -7.021 1.00 0.00 O ATOM 1869 CB LEU B 59 -2.827 0.172 -6.204 1.00 0.00 C ATOM 1870 CG LEU B 59 -2.593 0.452 -4.722 1.00 0.00 C ATOM 1871 CD1 LEU B 59 -3.890 0.424 -3.946 1.00 0.00 C ATOM 1872 CD2 LEU B 59 -1.596 -0.532 -4.110 1.00 0.00 C ATOM 0 H LEU B 59 -1.161 -1.259 -7.513 1.00 0.00 H new ATOM 0 HA LEU B 59 -3.183 -1.762 -5.549 1.00 0.00 H new ATOM 0 HB2 LEU B 59 -1.983 0.556 -6.776 1.00 0.00 H new ATOM 0 HB3 LEU B 59 -3.711 0.718 -6.534 1.00 0.00 H new ATOM 0 HG LEU B 59 -2.168 1.453 -4.654 1.00 0.00 H new ATOM 0 HD11 LEU B 59 -3.689 0.627 -2.894 1.00 0.00 H new ATOM 0 HD12 LEU B 59 -4.566 1.183 -4.339 1.00 0.00 H new ATOM 0 HD13 LEU B 59 -4.352 -0.559 -4.044 1.00 0.00 H new ATOM 0 HD21 LEU B 59 -1.456 -0.299 -3.054 1.00 0.00 H new ATOM 0 HD22 LEU B 59 -1.979 -1.548 -4.210 1.00 0.00 H new ATOM 0 HD23 LEU B 59 -0.641 -0.452 -4.629 1.00 0.00 H new ATOM 1884 N ALA B 60 -3.874 -1.964 -8.590 1.00 0.00 N ATOM 1885 CA ALA B 60 -4.888 -2.329 -9.539 1.00 0.00 C ATOM 1886 C ALA B 60 -5.225 -3.778 -9.269 1.00 0.00 C ATOM 1887 O ALA B 60 -6.315 -4.249 -9.552 1.00 0.00 O ATOM 1888 CB ALA B 60 -4.387 -2.128 -10.945 1.00 0.00 C ATOM 0 H ALA B 60 -2.919 -2.064 -8.934 1.00 0.00 H new ATOM 0 HA ALA B 60 -5.777 -1.707 -9.436 1.00 0.00 H new ATOM 0 HB1 ALA B 60 -5.167 -2.409 -11.653 1.00 0.00 H new ATOM 0 HB2 ALA B 60 -4.124 -1.080 -11.091 1.00 0.00 H new ATOM 0 HB3 ALA B 60 -3.507 -2.749 -11.110 1.00 0.00 H new ATOM 1894 N CYS B 61 -4.228 -4.467 -8.720 1.00 0.00 N ATOM 1895 CA CYS B 61 -4.349 -5.851 -8.297 1.00 0.00 C ATOM 1896 C CYS B 61 -5.137 -5.826 -7.005 1.00 0.00 C ATOM 1897 O CYS B 61 -5.972 -6.682 -6.701 1.00 0.00 O ATOM 1898 CB CYS B 61 -2.946 -6.420 -8.053 1.00 0.00 C ATOM 1899 SG CYS B 61 -2.797 -7.558 -6.654 1.00 0.00 S ATOM 0 H CYS B 61 -3.303 -4.070 -8.556 1.00 0.00 H new ATOM 0 HA CYS B 61 -4.844 -6.471 -9.045 1.00 0.00 H new ATOM 0 HB2 CYS B 61 -2.621 -6.938 -8.956 1.00 0.00 H new ATOM 0 HB3 CYS B 61 -2.258 -5.589 -7.897 1.00 0.00 H new ATOM 1904 N ALA B 62 -4.864 -4.769 -6.270 1.00 0.00 N ATOM 1905 CA ALA B 62 -5.493 -4.515 -5.007 1.00 0.00 C ATOM 1906 C ALA B 62 -6.857 -3.887 -5.241 1.00 0.00 C ATOM 1907 O ALA B 62 -7.837 -4.239 -4.578 1.00 0.00 O ATOM 1908 CB ALA B 62 -4.587 -3.626 -4.177 1.00 0.00 C ATOM 0 H ALA B 62 -4.188 -4.056 -6.544 1.00 0.00 H new ATOM 0 HA ALA B 62 -5.649 -5.443 -4.457 1.00 0.00 H new ATOM 0 HB1 ALA B 62 -5.056 -3.426 -3.214 1.00 0.00 H new ATOM 0 HB2 ALA B 62 -3.632 -4.127 -4.019 1.00 0.00 H new ATOM 0 HB3 ALA B 62 -4.421 -2.685 -4.701 1.00 0.00 H new ATOM 1914 N ALA B 63 -6.907 -2.964 -6.208 1.00 0.00 N ATOM 1915 CA ALA B 63 -8.148 -2.306 -6.583 1.00 0.00 C ATOM 1916 C ALA B 63 -9.041 -3.329 -7.218 1.00 0.00 C ATOM 1917 O ALA B 63 -10.261 -3.279 -7.096 1.00 0.00 O ATOM 1918 CB ALA B 63 -7.905 -1.171 -7.557 1.00 0.00 C ATOM 0 H ALA B 63 -6.094 -2.660 -6.743 1.00 0.00 H new ATOM 0 HA ALA B 63 -8.609 -1.880 -5.692 1.00 0.00 H new ATOM 0 HB1 ALA B 63 -8.855 -0.703 -7.815 1.00 0.00 H new ATOM 0 HB2 ALA B 63 -7.249 -0.432 -7.098 1.00 0.00 H new ATOM 0 HB3 ALA B 63 -7.436 -1.561 -8.460 1.00 0.00 H new ATOM 1924 N THR B 64 -8.408 -4.276 -7.898 1.00 0.00 N ATOM 1925 CA THR B 64 -9.154 -5.348 -8.526 1.00 0.00 C ATOM 1926 C THR B 64 -9.593 -6.304 -7.439 1.00 0.00 C ATOM 1927 O THR B 64 -10.036 -7.420 -7.711 1.00 0.00 O ATOM 1928 CB THR B 64 -8.372 -6.119 -9.634 1.00 0.00 C ATOM 1929 OG1 THR B 64 -9.302 -6.753 -10.518 1.00 0.00 O ATOM 1930 CG2 THR B 64 -7.431 -7.185 -9.064 1.00 0.00 C ATOM 0 H THR B 64 -7.397 -4.321 -8.025 1.00 0.00 H new ATOM 0 HA THR B 64 -10.002 -4.897 -9.042 1.00 0.00 H new ATOM 0 HB THR B 64 -7.762 -5.386 -10.162 1.00 0.00 H new ATOM 0 HG1 THR B 64 -9.959 -7.257 -9.994 1.00 0.00 H new ATOM 0 HG21 THR B 64 -6.914 -7.688 -9.881 1.00 0.00 H new ATOM 0 HG22 THR B 64 -6.700 -6.712 -8.409 1.00 0.00 H new ATOM 0 HG23 THR B 64 -8.009 -7.914 -8.496 1.00 0.00 H new ATOM 1938 N ALA B 65 -9.469 -5.846 -6.186 1.00 0.00 N ATOM 1939 CA ALA B 65 -9.828 -6.677 -5.061 1.00 0.00 C ATOM 1940 C ALA B 65 -10.035 -5.915 -3.737 1.00 0.00 C ATOM 1941 O ALA B 65 -11.083 -5.324 -3.527 1.00 0.00 O ATOM 1942 CB ALA B 65 -8.784 -7.742 -4.904 1.00 0.00 C ATOM 0 H ALA B 65 -9.127 -4.917 -5.942 1.00 0.00 H new ATOM 0 HA ALA B 65 -10.803 -7.110 -5.283 1.00 0.00 H new ATOM 0 HB1 ALA B 65 -9.039 -8.380 -4.058 1.00 0.00 H new ATOM 0 HB2 ALA B 65 -8.739 -8.344 -5.812 1.00 0.00 H new ATOM 0 HB3 ALA B 65 -7.814 -7.277 -4.728 1.00 0.00 H new ATOM 1948 N THR B 66 -9.047 -5.949 -2.829 1.00 0.00 N ATOM 1949 CA THR B 66 -9.214 -5.324 -1.504 1.00 0.00 C ATOM 1950 C THR B 66 -8.968 -3.827 -1.487 1.00 0.00 C ATOM 1951 O THR B 66 -9.769 -3.099 -0.909 1.00 0.00 O ATOM 1952 CB THR B 66 -8.337 -5.958 -0.413 1.00 0.00 C ATOM 1953 OG1 THR B 66 -7.033 -5.391 -0.452 1.00 0.00 O ATOM 1954 CG2 THR B 66 -8.246 -7.462 -0.572 1.00 0.00 C ATOM 0 H THR B 66 -8.141 -6.393 -2.981 1.00 0.00 H new ATOM 0 HA THR B 66 -10.265 -5.511 -1.284 1.00 0.00 H new ATOM 0 HB THR B 66 -8.802 -5.750 0.551 1.00 0.00 H new ATOM 0 HG1 THR B 66 -6.719 -5.229 0.462 1.00 0.00 H new ATOM 0 HG21 THR B 66 -7.618 -7.874 0.218 1.00 0.00 H new ATOM 0 HG22 THR B 66 -9.244 -7.896 -0.505 1.00 0.00 H new ATOM 0 HG23 THR B 66 -7.811 -7.700 -1.543 1.00 0.00 H new ATOM 1962 N SER B 67 -7.874 -3.339 -2.087 1.00 0.00 N ATOM 1963 CA SER B 67 -7.653 -1.887 -2.074 1.00 0.00 C ATOM 1964 C SER B 67 -8.976 -1.288 -2.454 1.00 0.00 C ATOM 1965 O SER B 67 -9.348 -0.184 -2.058 1.00 0.00 O ATOM 1966 CB SER B 67 -6.553 -1.430 -3.016 1.00 0.00 C ATOM 1967 OG SER B 67 -6.461 -0.019 -3.009 1.00 0.00 O ATOM 0 H SER B 67 -7.163 -3.893 -2.564 1.00 0.00 H new ATOM 0 HA SER B 67 -7.310 -1.565 -1.091 1.00 0.00 H new ATOM 0 HB2 SER B 67 -5.601 -1.866 -2.714 1.00 0.00 H new ATOM 0 HB3 SER B 67 -6.759 -1.784 -4.026 1.00 0.00 H new ATOM 0 HG SER B 67 -6.405 0.310 -3.931 1.00 0.00 H new ATOM 1973 N SER B 68 -9.656 -2.080 -3.263 1.00 0.00 N ATOM 1974 CA SER B 68 -10.997 -1.859 -3.654 1.00 0.00 C ATOM 1975 C SER B 68 -11.224 -0.801 -4.692 1.00 0.00 C ATOM 1976 O SER B 68 -11.102 0.395 -4.448 1.00 0.00 O ATOM 1977 CB SER B 68 -11.859 -1.610 -2.433 1.00 0.00 C ATOM 1978 OG SER B 68 -13.178 -1.247 -2.804 1.00 0.00 O ATOM 0 H SER B 68 -9.254 -2.924 -3.671 1.00 0.00 H new ATOM 0 HA SER B 68 -11.291 -2.780 -4.157 1.00 0.00 H new ATOM 0 HB2 SER B 68 -11.886 -2.507 -1.814 1.00 0.00 H new ATOM 0 HB3 SER B 68 -11.417 -0.818 -1.828 1.00 0.00 H new ATOM 0 HG SER B 68 -13.258 -0.270 -2.812 1.00 0.00 H new ATOM 1984 N ALA B 69 -11.569 -1.303 -5.854 1.00 0.00 N ATOM 1985 CA ALA B 69 -11.934 -0.494 -7.000 1.00 0.00 C ATOM 1986 C ALA B 69 -11.980 -1.363 -8.243 1.00 0.00 C ATOM 1987 O ALA B 69 -11.475 -0.995 -9.303 1.00 0.00 O ATOM 1988 CB ALA B 69 -10.991 0.680 -7.192 1.00 0.00 C ATOM 0 H ALA B 69 -11.606 -2.306 -6.036 1.00 0.00 H new ATOM 0 HA ALA B 69 -12.923 -0.074 -6.818 1.00 0.00 H new ATOM 0 HB1 ALA B 69 -11.302 1.258 -8.062 1.00 0.00 H new ATOM 0 HB2 ALA B 69 -11.015 1.315 -6.306 1.00 0.00 H new ATOM 0 HB3 ALA B 69 -9.977 0.311 -7.346 1.00 0.00 H new ATOM 1994 N THR B 70 -12.600 -2.524 -8.089 1.00 0.00 N ATOM 1995 CA THR B 70 -12.718 -3.482 -9.174 1.00 0.00 C ATOM 1996 C THR B 70 -14.053 -3.339 -9.886 1.00 0.00 C ATOM 1997 O THR B 70 -15.075 -3.853 -9.435 1.00 0.00 O ATOM 1998 CB THR B 70 -12.553 -4.932 -8.672 1.00 0.00 C ATOM 1999 OG1 THR B 70 -13.481 -5.796 -9.334 1.00 0.00 O ATOM 2000 CG2 THR B 70 -12.753 -5.019 -7.166 1.00 0.00 C ATOM 0 H THR B 70 -13.032 -2.825 -7.215 1.00 0.00 H new ATOM 0 HA THR B 70 -11.914 -3.266 -9.877 1.00 0.00 H new ATOM 0 HB THR B 70 -11.537 -5.251 -8.903 1.00 0.00 H new ATOM 0 HG1 THR B 70 -13.679 -6.565 -8.760 1.00 0.00 H new ATOM 0 HG21 THR B 70 -12.631 -6.052 -6.842 1.00 0.00 H new ATOM 0 HG22 THR B 70 -12.016 -4.392 -6.664 1.00 0.00 H new ATOM 0 HG23 THR B 70 -13.756 -4.675 -6.912 1.00 0.00 H new ATOM 2008 N GLU B 71 -14.027 -2.631 -11.005 1.00 0.00 N ATOM 2009 CA GLU B 71 -15.219 -2.403 -11.808 1.00 0.00 C ATOM 2010 C GLU B 71 -15.756 -3.716 -12.365 1.00 0.00 C ATOM 2011 O GLU B 71 -16.799 -3.750 -13.021 1.00 0.00 O ATOM 2012 CB GLU B 71 -14.880 -1.411 -12.926 1.00 0.00 C ATOM 2013 CG GLU B 71 -15.960 -1.259 -13.988 1.00 0.00 C ATOM 2014 CD GLU B 71 -15.648 -0.156 -14.980 1.00 0.00 C ATOM 2015 OE1 GLU B 71 -16.039 1.001 -14.722 1.00 0.00 O ATOM 2016 OE2 GLU B 71 -15.013 -0.450 -16.014 1.00 0.00 O ATOM 0 H GLU B 71 -13.183 -2.200 -11.381 1.00 0.00 H new ATOM 0 HA GLU B 71 -16.007 -1.978 -11.186 1.00 0.00 H new ATOM 0 HB2 GLU B 71 -14.686 -0.435 -12.481 1.00 0.00 H new ATOM 0 HB3 GLU B 71 -13.956 -1.730 -13.409 1.00 0.00 H new ATOM 0 HG2 GLU B 71 -16.075 -2.202 -14.522 1.00 0.00 H new ATOM 0 HG3 GLU B 71 -16.914 -1.049 -13.504 1.00 0.00 H new ATOM 2023 N ALA B 72 -15.050 -4.804 -12.081 1.00 0.00 N ATOM 2024 CA ALA B 72 -15.457 -6.112 -12.562 1.00 0.00 C ATOM 2025 C ALA B 72 -16.301 -6.868 -11.534 1.00 0.00 C ATOM 2026 O ALA B 72 -17.222 -7.597 -11.903 1.00 0.00 O ATOM 2027 CB ALA B 72 -14.239 -6.933 -12.957 1.00 0.00 C ATOM 0 H ALA B 72 -14.197 -4.803 -11.522 1.00 0.00 H new ATOM 0 HA ALA B 72 -16.083 -5.955 -13.441 1.00 0.00 H new ATOM 0 HB1 ALA B 72 -14.560 -7.911 -13.316 1.00 0.00 H new ATOM 0 HB2 ALA B 72 -13.694 -6.418 -13.748 1.00 0.00 H new ATOM 0 HB3 ALA B 72 -13.589 -7.059 -12.091 1.00 0.00 H new ATOM 2033 N CYS B 73 -15.993 -6.698 -10.247 1.00 0.00 N ATOM 2034 CA CYS B 73 -16.745 -7.385 -9.195 1.00 0.00 C ATOM 2035 C CYS B 73 -17.554 -6.405 -8.388 1.00 0.00 C ATOM 2036 O CYS B 73 -18.277 -6.799 -7.474 1.00 0.00 O ATOM 2037 CB CYS B 73 -15.822 -8.097 -8.209 1.00 0.00 C ATOM 2038 SG CYS B 73 -14.396 -8.939 -8.957 1.00 0.00 S ATOM 0 H CYS B 73 -15.239 -6.099 -9.911 1.00 0.00 H new ATOM 0 HA CYS B 73 -17.385 -8.105 -9.705 1.00 0.00 H new ATOM 0 HB2 CYS B 73 -15.456 -7.367 -7.487 1.00 0.00 H new ATOM 0 HB3 CYS B 73 -16.406 -8.830 -7.653 1.00 0.00 H new ATOM 2043 N LYS B 74 -17.443 -5.137 -8.720 1.00 0.00 N ATOM 2044 CA LYS B 74 -18.114 -4.135 -7.937 1.00 0.00 C ATOM 2045 C LYS B 74 -19.621 -4.179 -8.000 1.00 0.00 C ATOM 2046 O LYS B 74 -20.254 -5.212 -7.780 1.00 0.00 O ATOM 2047 CB LYS B 74 -17.622 -2.727 -8.236 1.00 0.00 C ATOM 2048 CG LYS B 74 -17.885 -1.785 -7.069 1.00 0.00 C ATOM 2049 CD LYS B 74 -18.985 -0.771 -7.356 1.00 0.00 C ATOM 2050 CE LYS B 74 -19.321 0.097 -6.156 1.00 0.00 C ATOM 2051 NZ LYS B 74 -20.099 1.306 -6.545 1.00 0.00 N ATOM 0 H LYS B 74 -16.905 -4.785 -9.512 1.00 0.00 H new ATOM 0 HA LYS B 74 -17.842 -4.396 -6.914 1.00 0.00 H new ATOM 0 HB2 LYS B 74 -16.554 -2.752 -8.452 1.00 0.00 H new ATOM 0 HB3 LYS B 74 -18.119 -2.349 -9.129 1.00 0.00 H new ATOM 0 HG2 LYS B 74 -18.159 -2.371 -6.192 1.00 0.00 H new ATOM 0 HG3 LYS B 74 -16.965 -1.254 -6.824 1.00 0.00 H new ATOM 0 HD2 LYS B 74 -18.676 -0.133 -8.184 1.00 0.00 H new ATOM 0 HD3 LYS B 74 -19.883 -1.299 -7.678 1.00 0.00 H new ATOM 0 HE2 LYS B 74 -19.893 -0.486 -5.435 1.00 0.00 H new ATOM 0 HE3 LYS B 74 -18.400 0.402 -5.660 1.00 0.00 H new ATOM 0 HZ1 LYS B 74 -20.105 1.984 -5.756 1.00 0.00 H new ATOM 0 HZ2 LYS B 74 -19.660 1.748 -7.378 1.00 0.00 H new ATOM 0 HZ3 LYS B 74 -21.076 1.032 -6.773 1.00 0.00 H new ATOM 2065 N GLY B 75 -20.177 -3.032 -8.309 1.00 0.00 N ATOM 2066 CA GLY B 75 -21.589 -2.864 -8.276 1.00 0.00 C ATOM 2067 C GLY B 75 -21.975 -2.890 -6.822 1.00 0.00 C ATOM 2068 O GLY B 75 -23.128 -3.136 -6.467 1.00 0.00 O ATOM 0 H GLY B 75 -19.657 -2.200 -8.587 1.00 0.00 H new ATOM 0 HA2 GLY B 75 -21.881 -1.922 -8.741 1.00 0.00 H new ATOM 0 HA3 GLY B 75 -22.090 -3.660 -8.827 1.00 0.00 H new ATOM 2072 N CYS B 76 -20.962 -2.623 -5.965 1.00 0.00 N ATOM 2073 CA CYS B 76 -21.147 -2.675 -4.536 1.00 0.00 C ATOM 2074 C CYS B 76 -20.058 -1.954 -3.706 1.00 0.00 C ATOM 2075 O CYS B 76 -20.347 -0.972 -3.026 1.00 0.00 O ATOM 2076 CB CYS B 76 -21.136 -4.144 -4.117 1.00 0.00 C ATOM 2077 SG CYS B 76 -22.751 -4.984 -4.162 1.00 0.00 S ATOM 0 H CYS B 76 -20.018 -2.372 -6.259 1.00 0.00 H new ATOM 0 HA CYS B 76 -22.086 -2.160 -4.334 1.00 0.00 H new ATOM 0 HB2 CYS B 76 -20.447 -4.684 -4.767 1.00 0.00 H new ATOM 0 HB3 CYS B 76 -20.739 -4.212 -3.104 1.00 0.00 H new ATOM 2082 N LEU B 77 -18.806 -2.425 -3.798 1.00 0.00 N ATOM 2083 CA LEU B 77 -17.721 -1.949 -2.907 1.00 0.00 C ATOM 2084 C LEU B 77 -16.724 -0.891 -3.424 1.00 0.00 C ATOM 2085 O LEU B 77 -16.009 -0.329 -2.596 1.00 0.00 O ATOM 2086 CB LEU B 77 -16.914 -3.176 -2.493 1.00 0.00 C ATOM 2087 CG LEU B 77 -15.741 -2.921 -1.540 1.00 0.00 C ATOM 2088 CD1 LEU B 77 -16.234 -2.319 -0.245 1.00 0.00 C ATOM 2089 CD2 LEU B 77 -14.982 -4.205 -1.266 1.00 0.00 C ATOM 0 H LEU B 77 -18.514 -3.131 -4.474 1.00 0.00 H new ATOM 0 HA LEU B 77 -18.251 -1.424 -2.112 1.00 0.00 H new ATOM 0 HB2 LEU B 77 -17.591 -3.889 -2.021 1.00 0.00 H new ATOM 0 HB3 LEU B 77 -16.527 -3.652 -3.394 1.00 0.00 H new ATOM 0 HG LEU B 77 -15.062 -2.215 -2.018 1.00 0.00 H new ATOM 0 HD11 LEU B 77 -15.388 -2.144 0.420 1.00 0.00 H new ATOM 0 HD12 LEU B 77 -16.735 -1.373 -0.451 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -16.935 -3.005 0.231 1.00 0.00 H new ATOM 0 HD21 LEU B 77 -14.154 -4.000 -0.587 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -15.653 -4.934 -0.811 1.00 0.00 H new ATOM 0 HD23 LEU B 77 -14.593 -4.605 -2.203 1.00 0.00 H new ATOM 2101 N TRP B 78 -16.652 -0.604 -4.725 1.00 0.00 N ATOM 2102 CA TRP B 78 -15.651 0.369 -5.247 1.00 0.00 C ATOM 2103 C TRP B 78 -14.996 1.202 -4.147 1.00 0.00 C ATOM 2104 O TRP B 78 -13.779 1.029 -3.923 1.00 0.00 O ATOM 2105 CB TRP B 78 -16.235 1.316 -6.308 1.00 0.00 C ATOM 2106 CG TRP B 78 -16.106 0.798 -7.702 1.00 0.00 C ATOM 2107 CD1 TRP B 78 -15.238 -0.149 -8.149 1.00 0.00 C ATOM 2108 CD2 TRP B 78 -16.887 1.190 -8.825 1.00 0.00 C ATOM 2109 NE1 TRP B 78 -15.458 -0.402 -9.475 1.00 0.00 N ATOM 2110 CE2 TRP B 78 -16.465 0.416 -9.914 1.00 0.00 C ATOM 2111 CE3 TRP B 78 -17.912 2.111 -9.007 1.00 0.00 C ATOM 2112 CZ2 TRP B 78 -17.037 0.531 -11.166 1.00 0.00 C ATOM 2113 CZ3 TRP B 78 -18.481 2.234 -10.259 1.00 0.00 C ATOM 2114 CH2 TRP B 78 -18.044 1.443 -11.327 1.00 0.00 C ATOM 2115 OXT TRP B 78 -15.697 2.016 -3.516 1.00 0.00 O ATOM 0 H TRP B 78 -17.256 -1.015 -5.437 1.00 0.00 H new ATOM 0 HA TRP B 78 -14.888 -0.254 -5.713 1.00 0.00 H new ATOM 0 HB2 TRP B 78 -17.289 1.489 -6.089 1.00 0.00 H new ATOM 0 HB3 TRP B 78 -15.732 2.281 -6.239 1.00 0.00 H new ATOM 0 HD1 TRP B 78 -14.484 -0.631 -7.544 1.00 0.00 H new ATOM 0 HE1 TRP B 78 -14.956 -1.085 -10.042 1.00 0.00 H new ATOM 0 HE3 TRP B 78 -18.257 2.719 -8.184 1.00 0.00 H new ATOM 0 HZ2 TRP B 78 -16.700 -0.079 -11.991 1.00 0.00 H new ATOM 0 HZ3 TRP B 78 -19.274 2.950 -10.416 1.00 0.00 H new ATOM 0 HH2 TRP B 78 -18.510 1.554 -12.295 1.00 0.00 H new TER 2126 TRP B 78