USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 788 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 66 SER OG : rot 180:sc= 0.0127 USER MOD Set 1.2: A 69 THR OG1 : rot 180:sc= -0.366 USER MOD Set 2.1: A 25 ASN : amide:sc= -0.772 K(o=-2.4,f=-9.9!) USER MOD Set 2.2: A 26 ASN : amide:sc= -1.67 K(o=-2.4,f=-0.42) USER MOD Single : A 1 MET CE :methyl -163:sc= 0 (180deg=-0.209) USER MOD Single : A 1 MET N :NH3+ -162:sc= 1.1 (180deg=0.85) USER MOD Single : A 3 HIS : no HD1:sc= -0.0171 X(o=-0.017,f=-0.028) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.523 K(o=-0.52,f=-1.1) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.00026) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.14 X(o=-0.14,f=-0.14) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -106:sc= -0.985 (180deg=-3.38!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -66:sc= 0.318 USER MOD Single : A 21 LYS NZ :NH3+ 170:sc=-0.00925 (180deg=-0.157) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.417 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -2.75! C(o=-2.8!,f=-3.3!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -139:sc= 0.0163 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.743 USER MOD Single : A 52 LYS NZ :NH3+ -174:sc= -0.0051 (180deg=-0.112) USER MOD Single : A 53 THR OG1 : rot -84:sc= 0.42 USER MOD Single : A 58 GLN : amide:sc= -0.0558 X(o=-0.056,f=-0.37) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc=-0.000484 X(o=-0.00048,f=0) USER MOD Single : A 73 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 76 THR OG1 : rot 16:sc= 0.779 USER MOD Single : A 78 GLN : amide:sc= -0.204 K(o=-0.2,f=-2.6!) USER MOD Single : A 79 GLN : amide:sc= -0.312 X(o=-0.31,f=0) USER MOD Single : A 87 ASN : amide:sc= -1.49 K(o=-1.5,f=-0.44) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot -41:sc= 0.249 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.327 10.042 16.980 1.00 0.00 N ATOM 2 CA MET A 1 -9.941 10.475 18.333 1.00 0.00 C ATOM 3 C MET A 1 -8.944 11.638 18.244 1.00 0.00 C ATOM 4 O MET A 1 -8.447 11.955 17.155 1.00 0.00 O ATOM 5 CB MET A 1 -9.309 9.291 19.129 1.00 0.00 C ATOM 6 CG MET A 1 -7.897 8.848 18.679 1.00 0.00 C ATOM 7 SD MET A 1 -7.215 7.556 19.741 1.00 0.00 S ATOM 8 CE MET A 1 -5.501 7.485 19.210 1.00 0.00 C ATOM 0 H1 MET A 1 -11.204 9.485 17.031 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.481 10.877 16.379 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.569 9.458 16.573 1.00 0.00 H new ATOM 0 HA MET A 1 -10.835 10.808 18.860 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.262 9.571 20.181 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.977 8.433 19.057 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.942 8.485 17.652 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.229 9.710 18.684 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.052 6.552 19.552 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.455 7.532 18.122 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.954 8.328 19.633 1.00 0.00 H new ATOM 20 N GLY A 2 -8.652 12.247 19.404 1.00 0.00 N ATOM 21 CA GLY A 2 -7.543 13.190 19.550 1.00 0.00 C ATOM 22 C GLY A 2 -6.334 12.497 20.158 1.00 0.00 C ATOM 23 O GLY A 2 -6.490 11.727 21.114 1.00 0.00 O ATOM 0 H GLY A 2 -9.180 12.097 20.264 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -7.281 13.606 18.577 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -7.848 14.024 20.182 1.00 0.00 H new ATOM 27 N HIS A 3 -5.141 12.733 19.582 1.00 0.00 N ATOM 28 CA HIS A 3 -3.865 12.241 20.129 1.00 0.00 C ATOM 29 C HIS A 3 -3.560 12.971 21.449 1.00 0.00 C ATOM 30 O HIS A 3 -3.872 14.160 21.587 1.00 0.00 O ATOM 31 CB HIS A 3 -2.705 12.459 19.115 1.00 0.00 C ATOM 32 CG HIS A 3 -1.356 12.025 19.641 1.00 0.00 C ATOM 33 ND1 HIS A 3 -0.455 12.889 20.237 1.00 0.00 N ATOM 34 CD2 HIS A 3 -0.773 10.807 19.688 1.00 0.00 C ATOM 35 CE1 HIS A 3 0.606 12.217 20.624 1.00 0.00 C ATOM 36 NE2 HIS A 3 0.438 10.959 20.302 1.00 0.00 N ATOM 0 H HIS A 3 -5.035 13.272 18.722 1.00 0.00 H new ATOM 0 HA HIS A 3 -3.952 11.171 20.316 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -2.924 11.908 18.200 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -2.660 13.515 18.848 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -1.188 9.884 19.310 1.00 0.00 H new ATOM 0 HE1 HIS A 3 1.470 12.632 21.123 1.00 0.00 H new ATOM 0 HE2 HIS A 3 1.107 10.210 20.481 1.00 0.00 H new ATOM 45 N HIS A 4 -2.947 12.247 22.405 1.00 0.00 N ATOM 46 CA HIS A 4 -2.525 12.798 23.702 1.00 0.00 C ATOM 47 C HIS A 4 -1.498 13.935 23.494 1.00 0.00 C ATOM 48 O HIS A 4 -0.297 13.686 23.321 1.00 0.00 O ATOM 49 CB HIS A 4 -1.962 11.657 24.593 1.00 0.00 C ATOM 50 CG HIS A 4 -1.394 12.126 25.907 1.00 0.00 C ATOM 51 ND1 HIS A 4 -0.037 12.283 26.125 1.00 0.00 N ATOM 52 CD2 HIS A 4 -1.997 12.469 27.071 1.00 0.00 C ATOM 53 CE1 HIS A 4 0.163 12.703 27.356 1.00 0.00 C ATOM 54 NE2 HIS A 4 -1.004 12.820 27.951 1.00 0.00 N ATOM 0 H HIS A 4 -2.730 11.256 22.296 1.00 0.00 H new ATOM 0 HA HIS A 4 -3.383 13.232 24.215 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -2.757 10.938 24.789 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -1.184 11.129 24.041 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -3.059 12.467 27.269 1.00 0.00 H new ATOM 0 HE1 HIS A 4 1.123 12.916 27.802 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -1.148 13.124 28.914 1.00 0.00 H new ATOM 63 N HIS A 5 -2.012 15.179 23.464 1.00 0.00 N ATOM 64 CA HIS A 5 -1.207 16.381 23.198 1.00 0.00 C ATOM 65 C HIS A 5 -0.407 16.781 24.453 1.00 0.00 C ATOM 66 O HIS A 5 -0.870 17.544 25.311 1.00 0.00 O ATOM 67 CB HIS A 5 -2.096 17.551 22.657 1.00 0.00 C ATOM 68 CG HIS A 5 -3.164 18.043 23.605 1.00 0.00 C ATOM 69 ND1 HIS A 5 -2.989 19.141 24.425 1.00 0.00 N ATOM 70 CD2 HIS A 5 -4.404 17.575 23.879 1.00 0.00 C ATOM 71 CE1 HIS A 5 -4.067 19.323 25.149 1.00 0.00 C ATOM 72 NE2 HIS A 5 -4.942 18.393 24.836 1.00 0.00 N ATOM 0 H HIS A 5 -3.000 15.377 23.624 1.00 0.00 H new ATOM 0 HA HIS A 5 -0.487 16.152 22.413 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -1.448 18.389 22.400 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -2.575 17.224 21.734 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -4.880 16.717 23.427 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -4.212 20.105 25.879 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -5.873 18.296 25.241 1.00 0.00 H new ATOM 81 N HIS A 6 0.790 16.197 24.584 1.00 0.00 N ATOM 82 CA HIS A 6 1.741 16.580 25.639 1.00 0.00 C ATOM 83 C HIS A 6 2.249 18.002 25.353 1.00 0.00 C ATOM 84 O HIS A 6 2.323 18.845 26.248 1.00 0.00 O ATOM 85 CB HIS A 6 2.907 15.565 25.731 1.00 0.00 C ATOM 86 CG HIS A 6 3.808 15.797 26.918 1.00 0.00 C ATOM 87 ND1 HIS A 6 3.527 15.311 28.175 1.00 0.00 N ATOM 88 CD2 HIS A 6 4.974 16.477 27.037 1.00 0.00 C ATOM 89 CE1 HIS A 6 4.474 15.683 29.009 1.00 0.00 C ATOM 90 NE2 HIS A 6 5.363 16.389 28.346 1.00 0.00 N ATOM 0 H HIS A 6 1.126 15.454 23.971 1.00 0.00 H new ATOM 0 HA HIS A 6 1.240 16.569 26.607 1.00 0.00 H new ATOM 0 HB2 HIS A 6 2.498 14.556 25.786 1.00 0.00 H new ATOM 0 HB3 HIS A 6 3.500 15.619 24.818 1.00 0.00 H new ATOM 0 HD2 HIS A 6 5.499 16.992 26.246 1.00 0.00 H new ATOM 0 HE1 HIS A 6 4.514 15.448 30.062 1.00 0.00 H new ATOM 0 HE2 HIS A 6 6.206 16.804 28.743 1.00 0.00 H new ATOM 99 N HIS A 7 2.593 18.234 24.077 1.00 0.00 N ATOM 100 CA HIS A 7 2.919 19.560 23.519 1.00 0.00 C ATOM 101 C HIS A 7 2.267 19.676 22.130 1.00 0.00 C ATOM 102 O HIS A 7 2.031 18.654 21.477 1.00 0.00 O ATOM 103 CB HIS A 7 4.452 19.753 23.395 1.00 0.00 C ATOM 104 CG HIS A 7 5.201 19.815 24.702 1.00 0.00 C ATOM 105 ND1 HIS A 7 6.375 19.129 24.939 1.00 0.00 N ATOM 106 CD2 HIS A 7 4.953 20.519 25.832 1.00 0.00 C ATOM 107 CE1 HIS A 7 6.813 19.415 26.147 1.00 0.00 C ATOM 108 NE2 HIS A 7 5.971 20.253 26.710 1.00 0.00 N ATOM 0 H HIS A 7 2.654 17.487 23.385 1.00 0.00 H new ATOM 0 HA HIS A 7 2.538 20.333 24.187 1.00 0.00 H new ATOM 0 HB2 HIS A 7 4.858 18.934 22.801 1.00 0.00 H new ATOM 0 HB3 HIS A 7 4.642 20.673 22.842 1.00 0.00 H new ATOM 0 HD2 HIS A 7 4.109 21.170 26.009 1.00 0.00 H new ATOM 0 HE1 HIS A 7 7.713 19.026 26.600 1.00 0.00 H new ATOM 0 HE2 HIS A 7 6.061 20.642 27.649 1.00 0.00 H new ATOM 117 N HIS A 8 1.958 20.918 21.684 1.00 0.00 N ATOM 118 CA HIS A 8 1.484 21.168 20.304 1.00 0.00 C ATOM 119 C HIS A 8 2.704 21.190 19.371 1.00 0.00 C ATOM 120 O HIS A 8 3.166 22.260 18.964 1.00 0.00 O ATOM 121 CB HIS A 8 0.673 22.502 20.183 1.00 0.00 C ATOM 122 CG HIS A 8 -0.575 22.575 21.032 1.00 0.00 C ATOM 123 ND1 HIS A 8 -0.858 23.651 21.850 1.00 0.00 N ATOM 124 CD2 HIS A 8 -1.621 21.718 21.177 1.00 0.00 C ATOM 125 CE1 HIS A 8 -2.005 23.453 22.458 1.00 0.00 C ATOM 126 NE2 HIS A 8 -2.489 22.293 22.072 1.00 0.00 N ATOM 0 H HIS A 8 2.029 21.758 22.258 1.00 0.00 H new ATOM 0 HA HIS A 8 0.800 20.368 20.020 1.00 0.00 H new ATOM 0 HB2 HIS A 8 1.326 23.332 20.453 1.00 0.00 H new ATOM 0 HB3 HIS A 8 0.392 22.645 19.139 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -1.745 20.766 20.682 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -2.473 24.130 23.158 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -3.369 21.885 22.387 1.00 0.00 H new ATOM 135 N SER A 9 3.248 19.992 19.085 1.00 0.00 N ATOM 136 CA SER A 9 4.495 19.830 18.316 1.00 0.00 C ATOM 137 C SER A 9 4.340 20.380 16.885 1.00 0.00 C ATOM 138 O SER A 9 5.220 21.102 16.392 1.00 0.00 O ATOM 139 CB SER A 9 4.905 18.345 18.314 1.00 0.00 C ATOM 140 OG SER A 9 3.844 17.526 17.853 1.00 0.00 O ATOM 0 H SER A 9 2.834 19.108 19.381 1.00 0.00 H new ATOM 0 HA SER A 9 5.287 20.409 18.791 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.779 18.206 17.678 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.192 18.042 19.321 1.00 0.00 H new ATOM 0 HG SER A 9 4.128 16.588 17.859 1.00 0.00 H new ATOM 146 N HIS A 10 3.198 20.057 16.264 1.00 0.00 N ATOM 147 CA HIS A 10 2.810 20.540 14.921 1.00 0.00 C ATOM 148 C HIS A 10 1.354 20.118 14.646 1.00 0.00 C ATOM 149 O HIS A 10 0.807 19.294 15.389 1.00 0.00 O ATOM 150 CB HIS A 10 3.781 19.980 13.836 1.00 0.00 C ATOM 151 CG HIS A 10 3.648 20.610 12.470 1.00 0.00 C ATOM 152 ND1 HIS A 10 4.230 21.816 12.144 1.00 0.00 N ATOM 153 CD2 HIS A 10 3.027 20.181 11.341 1.00 0.00 C ATOM 154 CE1 HIS A 10 3.971 22.100 10.886 1.00 0.00 C ATOM 155 NE2 HIS A 10 3.249 21.128 10.378 1.00 0.00 N ATOM 0 H HIS A 10 2.501 19.442 16.684 1.00 0.00 H new ATOM 0 HA HIS A 10 2.878 21.627 14.882 1.00 0.00 H new ATOM 0 HB2 HIS A 10 4.805 20.115 14.183 1.00 0.00 H new ATOM 0 HB3 HIS A 10 3.615 18.907 13.742 1.00 0.00 H new ATOM 0 HD2 HIS A 10 2.465 19.266 11.225 1.00 0.00 H new ATOM 0 HE1 HIS A 10 4.298 22.984 10.359 1.00 0.00 H new ATOM 0 HE2 HIS A 10 2.908 21.085 9.418 1.00 0.00 H new ATOM 164 N MET A 11 0.726 20.711 13.602 1.00 0.00 N ATOM 165 CA MET A 11 -0.605 20.292 13.102 1.00 0.00 C ATOM 166 C MET A 11 -0.622 18.776 12.824 1.00 0.00 C ATOM 167 O MET A 11 0.375 18.229 12.346 1.00 0.00 O ATOM 168 CB MET A 11 -0.981 21.060 11.800 1.00 0.00 C ATOM 169 CG MET A 11 -2.333 20.648 11.179 1.00 0.00 C ATOM 170 SD MET A 11 -2.639 21.404 9.572 1.00 0.00 S ATOM 171 CE MET A 11 -4.122 20.539 9.049 1.00 0.00 C ATOM 0 H MET A 11 1.128 21.492 13.084 1.00 0.00 H new ATOM 0 HA MET A 11 -1.338 20.528 13.873 1.00 0.00 H new ATOM 0 HB2 MET A 11 -1.006 22.128 12.018 1.00 0.00 H new ATOM 0 HB3 MET A 11 -0.194 20.904 11.062 1.00 0.00 H new ATOM 0 HG2 MET A 11 -2.361 19.563 11.074 1.00 0.00 H new ATOM 0 HG3 MET A 11 -3.137 20.923 11.861 1.00 0.00 H new ATOM 0 HE1 MET A 11 -4.429 20.903 8.069 1.00 0.00 H new ATOM 0 HE2 MET A 11 -3.918 19.470 8.991 1.00 0.00 H new ATOM 0 HE3 MET A 11 -4.921 20.718 9.769 1.00 0.00 H new ATOM 181 N LYS A 12 -1.760 18.136 13.147 1.00 0.00 N ATOM 182 CA LYS A 12 -2.012 16.698 12.944 1.00 0.00 C ATOM 183 C LYS A 12 -1.698 16.248 11.495 1.00 0.00 C ATOM 184 O LYS A 12 -2.525 16.372 10.592 1.00 0.00 O ATOM 185 CB LYS A 12 -3.490 16.379 13.325 1.00 0.00 C ATOM 186 CG LYS A 12 -4.568 17.269 12.645 1.00 0.00 C ATOM 187 CD LYS A 12 -6.021 16.946 13.084 1.00 0.00 C ATOM 188 CE LYS A 12 -6.528 15.548 12.660 1.00 0.00 C ATOM 189 NZ LYS A 12 -5.897 14.428 13.412 1.00 0.00 N ATOM 0 H LYS A 12 -2.553 18.619 13.569 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.340 16.135 13.592 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.694 15.338 13.075 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.596 16.474 14.406 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.356 18.314 12.869 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.492 17.153 11.564 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.085 17.027 14.169 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.688 17.701 12.668 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.608 15.505 12.801 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.339 15.411 11.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.215 13.939 12.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.404 14.805 14.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.631 13.758 13.717 1.00 0.00 H new ATOM 203 N ARG A 13 -0.449 15.799 11.293 1.00 0.00 N ATOM 204 CA ARG A 13 0.085 15.340 9.991 1.00 0.00 C ATOM 205 C ARG A 13 1.173 14.289 10.272 1.00 0.00 C ATOM 206 O ARG A 13 2.371 14.571 10.146 1.00 0.00 O ATOM 207 CB ARG A 13 0.692 16.524 9.150 1.00 0.00 C ATOM 208 CG ARG A 13 -0.299 17.631 8.740 1.00 0.00 C ATOM 209 CD ARG A 13 0.360 18.775 7.955 1.00 0.00 C ATOM 210 NE ARG A 13 -0.599 19.852 7.638 1.00 0.00 N ATOM 211 CZ ARG A 13 -0.526 20.687 6.586 1.00 0.00 C ATOM 212 NH1 ARG A 13 0.484 20.606 5.721 1.00 0.00 N ATOM 213 NH2 ARG A 13 -1.440 21.630 6.436 1.00 0.00 N ATOM 0 H ARG A 13 0.237 15.742 12.045 1.00 0.00 H new ATOM 0 HA ARG A 13 -0.730 14.918 9.403 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.498 16.979 9.726 1.00 0.00 H new ATOM 0 HB3 ARG A 13 1.140 16.111 8.247 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -1.092 17.193 8.134 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -0.770 18.038 9.635 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.186 19.185 8.536 1.00 0.00 H new ATOM 0 HD3 ARG A 13 0.784 18.383 7.030 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.387 19.974 8.274 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.213 19.905 5.853 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.528 21.245 4.927 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.195 21.721 7.116 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.390 22.266 5.640 1.00 0.00 H new ATOM 227 N SER A 14 0.750 13.095 10.719 1.00 0.00 N ATOM 228 CA SER A 14 1.681 12.005 11.060 1.00 0.00 C ATOM 229 C SER A 14 2.208 11.347 9.769 1.00 0.00 C ATOM 230 O SER A 14 1.590 10.427 9.234 1.00 0.00 O ATOM 231 CB SER A 14 0.986 10.974 11.985 1.00 0.00 C ATOM 232 OG SER A 14 1.879 9.949 12.397 1.00 0.00 O ATOM 0 H SER A 14 -0.233 12.859 10.853 1.00 0.00 H new ATOM 0 HA SER A 14 2.533 12.412 11.605 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.588 11.483 12.862 1.00 0.00 H new ATOM 0 HB3 SER A 14 0.139 10.530 11.462 1.00 0.00 H new ATOM 0 HG SER A 14 1.407 9.318 12.980 1.00 0.00 H new ATOM 238 N GLY A 15 3.328 11.875 9.255 1.00 0.00 N ATOM 239 CA GLY A 15 3.958 11.378 8.029 1.00 0.00 C ATOM 240 C GLY A 15 3.619 12.226 6.827 1.00 0.00 C ATOM 241 O GLY A 15 2.853 13.193 6.933 1.00 0.00 O ATOM 0 H GLY A 15 3.821 12.660 9.680 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.040 11.356 8.162 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.638 10.352 7.849 1.00 0.00 H new ATOM 245 N ARG A 16 4.188 11.855 5.677 1.00 0.00 N ATOM 246 CA ARG A 16 3.963 12.546 4.404 1.00 0.00 C ATOM 247 C ARG A 16 2.647 12.065 3.806 1.00 0.00 C ATOM 248 O ARG A 16 2.528 10.887 3.451 1.00 0.00 O ATOM 249 CB ARG A 16 5.127 12.252 3.415 1.00 0.00 C ATOM 250 CG ARG A 16 6.449 12.987 3.708 1.00 0.00 C ATOM 251 CD ARG A 16 6.347 14.506 3.453 1.00 0.00 C ATOM 252 NE ARG A 16 5.906 14.820 2.070 1.00 0.00 N ATOM 253 CZ ARG A 16 6.702 14.860 0.985 1.00 0.00 C ATOM 254 NH1 ARG A 16 8.004 14.616 1.073 1.00 0.00 N ATOM 255 NH2 ARG A 16 6.192 15.158 -0.198 1.00 0.00 N ATOM 0 H ARG A 16 4.823 11.060 5.602 1.00 0.00 H new ATOM 0 HA ARG A 16 3.921 13.621 4.580 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.320 11.179 3.417 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.801 12.515 2.409 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.736 12.814 4.745 1.00 0.00 H new ATOM 0 HG3 ARG A 16 7.240 12.569 3.085 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.646 14.945 4.163 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.317 14.968 3.636 1.00 0.00 H new ATOM 0 HE ARG A 16 4.916 15.023 1.930 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.421 14.392 1.977 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.587 14.652 0.237 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.196 15.358 -0.288 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.795 15.188 -1.020 1.00 0.00 H new ATOM 269 N GLU A 17 1.655 12.958 3.706 1.00 0.00 N ATOM 270 CA GLU A 17 0.414 12.634 3.015 1.00 0.00 C ATOM 271 C GLU A 17 0.693 12.664 1.501 1.00 0.00 C ATOM 272 O GLU A 17 0.920 13.728 0.919 1.00 0.00 O ATOM 273 CB GLU A 17 -0.718 13.628 3.366 1.00 0.00 C ATOM 274 CG GLU A 17 -2.074 13.294 2.702 1.00 0.00 C ATOM 275 CD GLU A 17 -3.092 14.421 2.846 1.00 0.00 C ATOM 276 OE1 GLU A 17 -3.012 15.390 2.063 1.00 0.00 O ATOM 277 OE2 GLU A 17 -3.968 14.352 3.728 1.00 0.00 O ATOM 0 H GLU A 17 1.692 13.901 4.093 1.00 0.00 H new ATOM 0 HA GLU A 17 0.078 11.646 3.330 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.849 13.647 4.448 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.414 14.630 3.065 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.915 13.087 1.644 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.478 12.385 3.148 1.00 0.00 H new ATOM 284 N ILE A 18 0.712 11.484 0.901 1.00 0.00 N ATOM 285 CA ILE A 18 0.832 11.280 -0.543 1.00 0.00 C ATOM 286 C ILE A 18 -0.538 10.866 -1.100 1.00 0.00 C ATOM 287 O ILE A 18 -1.521 10.799 -0.358 1.00 0.00 O ATOM 288 CB ILE A 18 1.886 10.153 -0.844 1.00 0.00 C ATOM 289 CG1 ILE A 18 1.431 8.782 -0.228 1.00 0.00 C ATOM 290 CG2 ILE A 18 3.300 10.562 -0.340 1.00 0.00 C ATOM 291 CD1 ILE A 18 2.279 7.602 -0.632 1.00 0.00 C ATOM 0 H ILE A 18 0.642 10.609 1.420 1.00 0.00 H new ATOM 0 HA ILE A 18 1.164 12.205 -1.015 1.00 0.00 H new ATOM 0 HB ILE A 18 1.947 10.026 -1.925 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.441 8.865 0.859 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.399 8.590 -0.523 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.010 9.765 -0.561 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.615 11.477 -0.842 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.268 10.731 0.736 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.893 6.698 -0.161 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.250 7.487 -1.716 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.308 7.767 -0.312 1.00 0.00 H new ATOM 303 N THR A 19 -0.593 10.602 -2.407 1.00 0.00 N ATOM 304 CA THR A 19 -1.742 9.942 -3.048 1.00 0.00 C ATOM 305 C THR A 19 -1.435 8.443 -3.237 1.00 0.00 C ATOM 306 O THR A 19 -0.279 8.012 -3.055 1.00 0.00 O ATOM 307 CB THR A 19 -2.075 10.603 -4.423 1.00 0.00 C ATOM 308 OG1 THR A 19 -0.962 10.463 -5.327 1.00 0.00 O ATOM 309 CG2 THR A 19 -2.437 12.095 -4.269 1.00 0.00 C ATOM 0 H THR A 19 0.158 10.839 -3.056 1.00 0.00 H new ATOM 0 HA THR A 19 -2.613 10.056 -2.403 1.00 0.00 H new ATOM 0 HB THR A 19 -2.944 10.087 -4.831 1.00 0.00 H new ATOM 0 HG1 THR A 19 -0.200 10.978 -4.989 1.00 0.00 H new ATOM 0 HG21 THR A 19 -2.662 12.518 -5.248 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.309 12.193 -3.622 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.596 12.630 -3.827 1.00 0.00 H new ATOM 317 N TRP A 20 -2.481 7.664 -3.592 1.00 0.00 N ATOM 318 CA TRP A 20 -2.347 6.241 -3.984 1.00 0.00 C ATOM 319 C TRP A 20 -1.315 6.093 -5.117 1.00 0.00 C ATOM 320 O TRP A 20 -0.490 5.187 -5.080 1.00 0.00 O ATOM 321 CB TRP A 20 -3.732 5.638 -4.406 1.00 0.00 C ATOM 322 CG TRP A 20 -3.668 4.307 -5.145 1.00 0.00 C ATOM 323 CD1 TRP A 20 -3.865 4.107 -6.482 1.00 0.00 C ATOM 324 CD2 TRP A 20 -3.383 3.010 -4.597 1.00 0.00 C ATOM 325 NE1 TRP A 20 -3.729 2.781 -6.791 1.00 0.00 N ATOM 326 CE2 TRP A 20 -3.435 2.087 -5.653 1.00 0.00 C ATOM 327 CE3 TRP A 20 -3.090 2.544 -3.325 1.00 0.00 C ATOM 328 CZ2 TRP A 20 -3.209 0.727 -5.465 1.00 0.00 C ATOM 329 CZ3 TRP A 20 -2.867 1.199 -3.136 1.00 0.00 C ATOM 330 CH2 TRP A 20 -2.927 0.303 -4.201 1.00 0.00 C ATOM 0 H TRP A 20 -3.443 8.003 -3.615 1.00 0.00 H new ATOM 0 HA TRP A 20 -1.993 5.681 -3.119 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -4.340 5.508 -3.511 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -4.246 6.361 -5.039 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -4.095 4.885 -7.194 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -3.831 2.376 -7.722 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -3.037 3.229 -2.491 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -3.255 0.033 -6.291 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -2.642 0.832 -2.146 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -2.747 -0.747 -4.022 1.00 0.00 H new ATOM 341 N LYS A 21 -1.368 7.007 -6.110 1.00 0.00 N ATOM 342 CA LYS A 21 -0.451 6.993 -7.264 1.00 0.00 C ATOM 343 C LYS A 21 1.030 7.135 -6.840 1.00 0.00 C ATOM 344 O LYS A 21 1.889 6.398 -7.353 1.00 0.00 O ATOM 345 CB LYS A 21 -0.842 8.086 -8.293 1.00 0.00 C ATOM 346 CG LYS A 21 -0.068 7.985 -9.622 1.00 0.00 C ATOM 347 CD LYS A 21 -0.497 9.041 -10.661 1.00 0.00 C ATOM 348 CE LYS A 21 0.257 8.899 -11.994 1.00 0.00 C ATOM 349 NZ LYS A 21 0.032 7.572 -12.628 1.00 0.00 N ATOM 0 H LYS A 21 -2.045 7.770 -6.132 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.552 6.018 -7.740 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.910 8.015 -8.498 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.666 9.068 -7.853 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.998 8.094 -9.423 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.213 6.991 -10.044 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.568 8.953 -10.842 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.324 10.037 -10.254 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.065 9.685 -12.677 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.324 9.042 -11.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.415 7.580 -13.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.511 6.836 -12.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.988 7.372 -12.662 1.00 0.00 H new ATOM 363 N ASP A 22 1.318 8.058 -5.891 1.00 0.00 N ATOM 364 CA ASP A 22 2.691 8.252 -5.356 1.00 0.00 C ATOM 365 C ASP A 22 3.168 6.998 -4.606 1.00 0.00 C ATOM 366 O ASP A 22 4.362 6.672 -4.628 1.00 0.00 O ATOM 367 CB ASP A 22 2.784 9.466 -4.400 1.00 0.00 C ATOM 368 CG ASP A 22 2.345 10.802 -5.021 1.00 0.00 C ATOM 369 OD1 ASP A 22 2.702 11.086 -6.183 1.00 0.00 O ATOM 370 OD2 ASP A 22 1.645 11.581 -4.338 1.00 0.00 O ATOM 0 H ASP A 22 0.621 8.679 -5.480 1.00 0.00 H new ATOM 0 HA ASP A 22 3.331 8.440 -6.218 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.169 9.269 -3.522 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.813 9.562 -4.054 1.00 0.00 H new ATOM 375 N PHE A 23 2.215 6.325 -3.923 1.00 0.00 N ATOM 376 CA PHE A 23 2.463 5.041 -3.255 1.00 0.00 C ATOM 377 C PHE A 23 2.974 3.994 -4.256 1.00 0.00 C ATOM 378 O PHE A 23 4.014 3.386 -4.033 1.00 0.00 O ATOM 379 CB PHE A 23 1.205 4.522 -2.508 1.00 0.00 C ATOM 380 CG PHE A 23 1.344 3.090 -1.976 1.00 0.00 C ATOM 381 CD1 PHE A 23 2.339 2.761 -1.054 1.00 0.00 C ATOM 382 CD2 PHE A 23 0.494 2.078 -2.417 1.00 0.00 C ATOM 383 CE1 PHE A 23 2.475 1.467 -0.598 1.00 0.00 C ATOM 384 CE2 PHE A 23 0.629 0.788 -1.955 1.00 0.00 C ATOM 385 CZ PHE A 23 1.620 0.483 -1.047 1.00 0.00 C ATOM 0 H PHE A 23 1.257 6.661 -3.823 1.00 0.00 H new ATOM 0 HA PHE A 23 3.237 5.210 -2.506 1.00 0.00 H new ATOM 0 HB2 PHE A 23 0.989 5.190 -1.674 1.00 0.00 H new ATOM 0 HB3 PHE A 23 0.350 4.567 -3.182 1.00 0.00 H new ATOM 0 HD1 PHE A 23 3.009 3.528 -0.694 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -0.282 2.309 -3.132 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.252 1.224 0.112 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -0.041 0.016 -2.304 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.727 -0.529 -0.686 1.00 0.00 H new ATOM 395 N VAL A 24 2.234 3.835 -5.359 1.00 0.00 N ATOM 396 CA VAL A 24 2.513 2.836 -6.400 1.00 0.00 C ATOM 397 C VAL A 24 3.942 2.952 -6.944 1.00 0.00 C ATOM 398 O VAL A 24 4.749 2.046 -6.761 1.00 0.00 O ATOM 399 CB VAL A 24 1.473 2.984 -7.565 1.00 0.00 C ATOM 400 CG1 VAL A 24 1.772 2.038 -8.757 1.00 0.00 C ATOM 401 CG2 VAL A 24 0.050 2.774 -7.011 1.00 0.00 C ATOM 0 H VAL A 24 1.412 4.405 -5.558 1.00 0.00 H new ATOM 0 HA VAL A 24 2.421 1.848 -5.948 1.00 0.00 H new ATOM 0 HB VAL A 24 1.554 3.994 -7.966 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.021 2.183 -9.534 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.759 2.262 -9.161 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.746 1.003 -8.416 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.674 2.877 -7.819 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.028 1.777 -6.578 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.155 3.520 -6.243 1.00 0.00 H new ATOM 411 N ASN A 25 4.247 4.098 -7.563 1.00 0.00 N ATOM 412 CA ASN A 25 5.510 4.297 -8.293 1.00 0.00 C ATOM 413 C ASN A 25 6.727 4.456 -7.352 1.00 0.00 C ATOM 414 O ASN A 25 7.736 3.764 -7.525 1.00 0.00 O ATOM 415 CB ASN A 25 5.390 5.479 -9.313 1.00 0.00 C ATOM 416 CG ASN A 25 4.725 6.752 -8.774 1.00 0.00 C ATOM 417 OD1 ASN A 25 4.805 7.071 -7.593 1.00 0.00 O ATOM 418 ND2 ASN A 25 4.049 7.489 -9.638 1.00 0.00 N ATOM 0 H ASN A 25 3.631 4.911 -7.574 1.00 0.00 H new ATOM 0 HA ASN A 25 5.696 3.387 -8.863 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.389 5.734 -9.666 1.00 0.00 H new ATOM 0 HB3 ASN A 25 4.825 5.133 -10.178 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.582 8.340 -9.326 1.00 0.00 H new ATOM 0 HD22 ASN A 25 3.994 7.206 -10.617 1.00 0.00 H new ATOM 425 N ASN A 26 6.621 5.332 -6.339 1.00 0.00 N ATOM 426 CA ASN A 26 7.773 5.728 -5.488 1.00 0.00 C ATOM 427 C ASN A 26 8.053 4.731 -4.352 1.00 0.00 C ATOM 428 O ASN A 26 9.144 4.762 -3.774 1.00 0.00 O ATOM 429 CB ASN A 26 7.530 7.147 -4.883 1.00 0.00 C ATOM 430 CG ASN A 26 7.577 8.317 -5.889 1.00 0.00 C ATOM 431 OD1 ASN A 26 7.841 9.452 -5.504 1.00 0.00 O ATOM 432 ND2 ASN A 26 7.329 8.072 -7.168 1.00 0.00 N ATOM 0 H ASN A 26 5.745 5.787 -6.082 1.00 0.00 H new ATOM 0 HA ASN A 26 8.649 5.736 -6.136 1.00 0.00 H new ATOM 0 HB2 ASN A 26 6.557 7.152 -4.393 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.277 7.326 -4.110 1.00 0.00 H new ATOM 0 HD21 ASN A 26 7.356 8.832 -7.847 1.00 0.00 H new ATOM 0 HD22 ASN A 26 7.111 7.123 -7.473 1.00 0.00 H new ATOM 439 N TYR A 27 7.078 3.865 -3.980 1.00 0.00 N ATOM 440 CA TYR A 27 7.220 3.020 -2.764 1.00 0.00 C ATOM 441 C TYR A 27 6.967 1.516 -3.039 1.00 0.00 C ATOM 442 O TYR A 27 7.892 0.692 -2.892 1.00 0.00 O ATOM 443 CB TYR A 27 6.299 3.557 -1.633 1.00 0.00 C ATOM 444 CG TYR A 27 6.544 5.044 -1.304 1.00 0.00 C ATOM 445 CD1 TYR A 27 7.728 5.467 -0.696 1.00 0.00 C ATOM 446 CD2 TYR A 27 5.611 6.028 -1.623 1.00 0.00 C ATOM 447 CE1 TYR A 27 7.955 6.807 -0.412 1.00 0.00 C ATOM 448 CE2 TYR A 27 5.837 7.363 -1.343 1.00 0.00 C ATOM 449 CZ TYR A 27 7.005 7.747 -0.740 1.00 0.00 C ATOM 450 OH TYR A 27 7.212 9.076 -0.449 1.00 0.00 O ATOM 0 H TYR A 27 6.204 3.733 -4.489 1.00 0.00 H new ATOM 0 HA TYR A 27 8.258 3.089 -2.438 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.258 3.423 -1.927 1.00 0.00 H new ATOM 0 HB3 TYR A 27 6.455 2.962 -0.733 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.482 4.737 -0.442 1.00 0.00 H new ATOM 0 HD2 TYR A 27 4.687 5.740 -2.102 1.00 0.00 H new ATOM 0 HE1 TYR A 27 8.875 7.111 0.065 1.00 0.00 H new ATOM 0 HE2 TYR A 27 5.093 8.102 -1.600 1.00 0.00 H new ATOM 0 HH TYR A 27 6.441 9.601 -0.750 1.00 0.00 H new ATOM 460 N LEU A 28 5.719 1.169 -3.419 1.00 0.00 N ATOM 461 CA LEU A 28 5.290 -0.233 -3.616 1.00 0.00 C ATOM 462 C LEU A 28 6.114 -0.936 -4.722 1.00 0.00 C ATOM 463 O LEU A 28 6.564 -2.075 -4.538 1.00 0.00 O ATOM 464 CB LEU A 28 3.780 -0.291 -3.964 1.00 0.00 C ATOM 465 CG LEU A 28 3.177 -1.728 -4.128 1.00 0.00 C ATOM 466 CD1 LEU A 28 3.212 -2.530 -2.802 1.00 0.00 C ATOM 467 CD2 LEU A 28 1.752 -1.668 -4.701 1.00 0.00 C ATOM 0 H LEU A 28 4.982 1.851 -3.598 1.00 0.00 H new ATOM 0 HA LEU A 28 5.466 -0.763 -2.680 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.225 0.229 -3.183 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.618 0.259 -4.891 1.00 0.00 H new ATOM 0 HG LEU A 28 3.807 -2.260 -4.840 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.784 -3.519 -2.964 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.244 -2.632 -2.465 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.633 -2.004 -2.043 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.358 -2.679 -4.804 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.113 -1.097 -4.028 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.773 -1.185 -5.678 1.00 0.00 H new ATOM 479 N SER A 29 6.285 -0.236 -5.861 1.00 0.00 N ATOM 480 CA SER A 29 7.081 -0.697 -7.017 1.00 0.00 C ATOM 481 C SER A 29 8.557 -0.988 -6.655 1.00 0.00 C ATOM 482 O SER A 29 9.192 -1.830 -7.287 1.00 0.00 O ATOM 483 CB SER A 29 6.998 0.363 -8.141 1.00 0.00 C ATOM 484 OG SER A 29 7.688 -0.044 -9.308 1.00 0.00 O ATOM 0 H SER A 29 5.866 0.683 -6.006 1.00 0.00 H new ATOM 0 HA SER A 29 6.658 -1.643 -7.356 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.952 0.551 -8.385 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.416 1.304 -7.783 1.00 0.00 H new ATOM 0 HG SER A 29 7.610 0.652 -9.994 1.00 0.00 H new ATOM 490 N LYS A 30 9.081 -0.299 -5.625 1.00 0.00 N ATOM 491 CA LYS A 30 10.463 -0.505 -5.139 1.00 0.00 C ATOM 492 C LYS A 30 10.510 -1.632 -4.090 1.00 0.00 C ATOM 493 O LYS A 30 11.575 -2.197 -3.841 1.00 0.00 O ATOM 494 CB LYS A 30 11.024 0.801 -4.520 1.00 0.00 C ATOM 495 CG LYS A 30 11.181 1.981 -5.498 1.00 0.00 C ATOM 496 CD LYS A 30 11.754 3.239 -4.802 1.00 0.00 C ATOM 497 CE LYS A 30 11.962 4.419 -5.766 1.00 0.00 C ATOM 498 NZ LYS A 30 13.069 4.188 -6.730 1.00 0.00 N ATOM 0 H LYS A 30 8.565 0.412 -5.107 1.00 0.00 H new ATOM 0 HA LYS A 30 11.078 -0.789 -5.993 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.366 1.110 -3.707 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.997 0.585 -4.078 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.839 1.688 -6.316 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.212 2.219 -5.937 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.078 3.545 -4.003 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.706 2.987 -4.335 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.039 4.599 -6.317 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.171 5.320 -5.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.164 5.014 -7.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.958 4.043 -6.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.861 3.344 -7.302 1.00 0.00 H new ATOM 512 N GLY A 31 9.333 -1.969 -3.527 1.00 0.00 N ATOM 513 CA GLY A 31 9.224 -2.911 -2.409 1.00 0.00 C ATOM 514 C GLY A 31 9.874 -2.417 -1.118 1.00 0.00 C ATOM 515 O GLY A 31 10.379 -3.221 -0.331 1.00 0.00 O ATOM 0 H GLY A 31 8.437 -1.594 -3.837 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.170 -3.114 -2.219 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.684 -3.856 -2.697 1.00 0.00 H new ATOM 519 N VAL A 32 9.847 -1.086 -0.892 1.00 0.00 N ATOM 520 CA VAL A 32 10.427 -0.464 0.330 1.00 0.00 C ATOM 521 C VAL A 32 9.474 -0.566 1.549 1.00 0.00 C ATOM 522 O VAL A 32 9.828 -0.157 2.661 1.00 0.00 O ATOM 523 CB VAL A 32 10.830 1.045 0.084 1.00 0.00 C ATOM 524 CG1 VAL A 32 11.941 1.163 -0.982 1.00 0.00 C ATOM 525 CG2 VAL A 32 9.612 1.914 -0.286 1.00 0.00 C ATOM 0 H VAL A 32 9.430 -0.416 -1.538 1.00 0.00 H new ATOM 0 HA VAL A 32 11.329 -1.031 0.559 1.00 0.00 H new ATOM 0 HB VAL A 32 11.226 1.427 1.025 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.195 2.213 -1.128 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.824 0.619 -0.649 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.589 0.741 -1.923 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.934 2.943 -0.446 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.155 1.531 -1.198 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.884 1.884 0.525 1.00 0.00 H new ATOM 535 N VAL A 33 8.288 -1.166 1.333 1.00 0.00 N ATOM 536 CA VAL A 33 7.185 -1.172 2.310 1.00 0.00 C ATOM 537 C VAL A 33 7.147 -2.520 3.059 1.00 0.00 C ATOM 538 O VAL A 33 7.188 -3.578 2.425 1.00 0.00 O ATOM 539 CB VAL A 33 5.802 -0.932 1.586 1.00 0.00 C ATOM 540 CG1 VAL A 33 4.661 -0.703 2.608 1.00 0.00 C ATOM 541 CG2 VAL A 33 5.899 0.231 0.567 1.00 0.00 C ATOM 0 H VAL A 33 8.068 -1.663 0.470 1.00 0.00 H new ATOM 0 HA VAL A 33 7.355 -0.366 3.024 1.00 0.00 H new ATOM 0 HB VAL A 33 5.558 -1.836 1.028 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.723 -0.541 2.076 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.567 -1.578 3.251 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.888 0.172 3.217 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.932 0.373 0.084 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.184 1.146 1.086 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.650 -0.007 -0.187 1.00 0.00 H new ATOM 551 N ASP A 34 7.044 -2.460 4.400 1.00 0.00 N ATOM 552 CA ASP A 34 6.945 -3.647 5.282 1.00 0.00 C ATOM 553 C ASP A 34 5.482 -4.134 5.348 1.00 0.00 C ATOM 554 O ASP A 34 5.193 -5.305 5.090 1.00 0.00 O ATOM 555 CB ASP A 34 7.467 -3.290 6.708 1.00 0.00 C ATOM 556 CG ASP A 34 7.367 -4.452 7.722 1.00 0.00 C ATOM 557 OD1 ASP A 34 8.269 -5.318 7.753 1.00 0.00 O ATOM 558 OD2 ASP A 34 6.386 -4.511 8.492 1.00 0.00 O ATOM 0 H ASP A 34 7.027 -1.577 4.911 1.00 0.00 H new ATOM 0 HA ASP A 34 7.560 -4.450 4.875 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.508 -2.974 6.634 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.902 -2.439 7.089 1.00 0.00 H new ATOM 563 N ARG A 35 4.573 -3.201 5.676 1.00 0.00 N ATOM 564 CA ARG A 35 3.140 -3.492 5.885 1.00 0.00 C ATOM 565 C ARG A 35 2.310 -2.228 5.619 1.00 0.00 C ATOM 566 O ARG A 35 2.828 -1.102 5.678 1.00 0.00 O ATOM 567 CB ARG A 35 2.897 -4.044 7.329 1.00 0.00 C ATOM 568 CG ARG A 35 3.127 -3.021 8.470 1.00 0.00 C ATOM 569 CD ARG A 35 3.309 -3.656 9.863 1.00 0.00 C ATOM 570 NE ARG A 35 2.188 -4.523 10.285 1.00 0.00 N ATOM 571 CZ ARG A 35 1.518 -4.438 11.446 1.00 0.00 C ATOM 572 NH1 ARG A 35 1.812 -3.496 12.332 1.00 0.00 N ATOM 573 NH2 ARG A 35 0.600 -5.343 11.742 1.00 0.00 N ATOM 0 H ARG A 35 4.810 -2.217 5.805 1.00 0.00 H new ATOM 0 HA ARG A 35 2.823 -4.263 5.183 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.873 -4.412 7.393 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.554 -4.899 7.490 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.010 -2.426 8.236 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.280 -2.335 8.504 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.228 -4.242 9.865 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.436 -2.861 10.598 1.00 0.00 H new ATOM 0 HE ARG A 35 1.897 -5.253 9.635 1.00 0.00 H new ATOM 0 HH11 ARG A 35 2.555 -2.825 12.136 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.295 -3.443 13.210 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.403 -6.102 11.090 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.089 -5.282 12.623 1.00 0.00 H new ATOM 587 N LEU A 36 1.024 -2.423 5.296 1.00 0.00 N ATOM 588 CA LEU A 36 0.065 -1.337 5.079 1.00 0.00 C ATOM 589 C LEU A 36 -0.965 -1.373 6.201 1.00 0.00 C ATOM 590 O LEU A 36 -1.862 -2.220 6.208 1.00 0.00 O ATOM 591 CB LEU A 36 -0.613 -1.482 3.688 1.00 0.00 C ATOM 592 CG LEU A 36 0.307 -1.181 2.470 1.00 0.00 C ATOM 593 CD1 LEU A 36 -0.420 -1.451 1.140 1.00 0.00 C ATOM 594 CD2 LEU A 36 0.866 0.259 2.542 1.00 0.00 C ATOM 0 H LEU A 36 0.618 -3.351 5.177 1.00 0.00 H new ATOM 0 HA LEU A 36 0.578 -0.375 5.091 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.996 -2.498 3.592 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.472 -0.813 3.649 1.00 0.00 H new ATOM 0 HG LEU A 36 1.157 -1.862 2.512 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.249 -1.231 0.308 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.722 -2.497 1.096 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.303 -0.816 1.073 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.506 0.444 1.679 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.040 0.970 2.541 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.447 0.379 3.457 1.00 0.00 H new ATOM 606 N GLU A 37 -0.806 -0.455 7.154 1.00 0.00 N ATOM 607 CA GLU A 37 -1.669 -0.349 8.324 1.00 0.00 C ATOM 608 C GLU A 37 -2.800 0.638 8.021 1.00 0.00 C ATOM 609 O GLU A 37 -2.605 1.856 8.065 1.00 0.00 O ATOM 610 CB GLU A 37 -0.825 0.090 9.547 1.00 0.00 C ATOM 611 CG GLU A 37 0.251 -0.938 9.981 1.00 0.00 C ATOM 612 CD GLU A 37 1.092 -0.500 11.200 1.00 0.00 C ATOM 613 OE1 GLU A 37 0.520 0.037 12.167 1.00 0.00 O ATOM 614 OE2 GLU A 37 2.322 -0.724 11.211 1.00 0.00 O ATOM 0 H GLU A 37 -0.063 0.244 7.132 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.118 -1.313 8.562 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.335 1.036 9.315 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.494 0.275 10.388 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.239 -1.884 10.213 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.920 -1.123 9.140 1.00 0.00 H new ATOM 621 N VAL A 38 -3.987 0.090 7.724 1.00 0.00 N ATOM 622 CA VAL A 38 -5.152 0.865 7.310 1.00 0.00 C ATOM 623 C VAL A 38 -5.833 1.363 8.583 1.00 0.00 C ATOM 624 O VAL A 38 -6.589 0.619 9.234 1.00 0.00 O ATOM 625 CB VAL A 38 -6.147 0.016 6.438 1.00 0.00 C ATOM 626 CG1 VAL A 38 -7.302 0.897 5.904 1.00 0.00 C ATOM 627 CG2 VAL A 38 -5.403 -0.712 5.292 1.00 0.00 C ATOM 0 H VAL A 38 -4.161 -0.914 7.767 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.838 1.698 6.681 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.588 -0.751 7.075 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.977 0.287 5.304 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.850 1.326 6.743 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.894 1.699 5.289 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.116 -1.291 4.706 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.917 0.022 4.650 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.652 -1.380 5.713 1.00 0.00 H new ATOM 637 N VAL A 39 -5.510 2.603 8.961 1.00 0.00 N ATOM 638 CA VAL A 39 -5.957 3.192 10.215 1.00 0.00 C ATOM 639 C VAL A 39 -7.403 3.646 10.080 1.00 0.00 C ATOM 640 O VAL A 39 -7.724 4.495 9.225 1.00 0.00 O ATOM 641 CB VAL A 39 -5.068 4.408 10.632 1.00 0.00 C ATOM 642 CG1 VAL A 39 -5.545 5.025 11.975 1.00 0.00 C ATOM 643 CG2 VAL A 39 -3.578 4.005 10.682 1.00 0.00 C ATOM 0 H VAL A 39 -4.928 3.225 8.399 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.873 2.430 10.990 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.175 5.182 9.872 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.905 5.868 12.236 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.574 5.369 11.872 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.491 4.272 12.761 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.978 4.867 10.974 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.442 3.204 11.409 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.261 3.659 9.698 1.00 0.00 H new ATOM 653 N ASN A 40 -8.257 3.038 10.918 1.00 0.00 N ATOM 654 CA ASN A 40 -9.670 3.402 11.093 1.00 0.00 C ATOM 655 C ASN A 40 -10.482 3.305 9.766 1.00 0.00 C ATOM 656 O ASN A 40 -11.583 3.862 9.660 1.00 0.00 O ATOM 657 CB ASN A 40 -9.738 4.830 11.727 1.00 0.00 C ATOM 658 CG ASN A 40 -10.985 5.067 12.566 1.00 0.00 C ATOM 659 OD1 ASN A 40 -12.000 5.555 12.077 1.00 0.00 O ATOM 660 ND2 ASN A 40 -10.910 4.725 13.839 1.00 0.00 N ATOM 0 H ASN A 40 -7.974 2.257 11.510 1.00 0.00 H new ATOM 0 HA ASN A 40 -10.142 2.685 11.765 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -8.857 4.984 12.350 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -9.699 5.574 10.931 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -11.713 4.864 14.452 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -10.049 4.322 14.209 1.00 0.00 H new ATOM 667 N LYS A 41 -9.926 2.560 8.772 1.00 0.00 N ATOM 668 CA LYS A 41 -10.431 2.475 7.369 1.00 0.00 C ATOM 669 C LYS A 41 -10.492 3.835 6.629 1.00 0.00 C ATOM 670 O LYS A 41 -10.897 3.878 5.462 1.00 0.00 O ATOM 671 CB LYS A 41 -11.818 1.783 7.314 1.00 0.00 C ATOM 672 CG LYS A 41 -11.859 0.346 7.888 1.00 0.00 C ATOM 673 CD LYS A 41 -13.245 -0.327 7.704 1.00 0.00 C ATOM 674 CE LYS A 41 -14.415 0.524 8.241 1.00 0.00 C ATOM 675 NZ LYS A 41 -14.298 0.823 9.690 1.00 0.00 N ATOM 0 H LYS A 41 -9.095 1.988 8.925 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.694 1.870 6.841 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -12.534 2.396 7.861 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -12.151 1.753 6.276 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -11.097 -0.260 7.398 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.610 0.375 8.949 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -13.406 -0.526 6.645 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -13.243 -1.291 8.213 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -14.461 1.460 7.685 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -15.353 -0.001 8.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -15.111 1.396 9.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.282 -0.067 10.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.418 1.349 9.866 1.00 0.00 H new ATOM 689 N ARG A 42 -10.053 4.926 7.284 1.00 0.00 N ATOM 690 CA ARG A 42 -10.154 6.296 6.740 1.00 0.00 C ATOM 691 C ARG A 42 -9.000 6.556 5.777 1.00 0.00 C ATOM 692 O ARG A 42 -9.153 7.248 4.762 1.00 0.00 O ATOM 693 CB ARG A 42 -10.131 7.339 7.891 1.00 0.00 C ATOM 694 CG ARG A 42 -11.163 7.077 9.007 1.00 0.00 C ATOM 695 CD ARG A 42 -12.617 7.053 8.511 1.00 0.00 C ATOM 696 NE ARG A 42 -13.558 6.595 9.553 1.00 0.00 N ATOM 697 CZ ARG A 42 -14.895 6.610 9.444 1.00 0.00 C ATOM 698 NH1 ARG A 42 -15.484 7.085 8.345 1.00 0.00 N ATOM 699 NH2 ARG A 42 -15.633 6.141 10.437 1.00 0.00 N ATOM 0 H ARG A 42 -9.618 4.884 8.206 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.098 6.392 6.203 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -9.134 7.355 8.331 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -10.310 8.329 7.472 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -10.935 6.124 9.484 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.062 7.848 9.771 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.902 8.052 8.181 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.692 6.397 7.644 1.00 0.00 H new ATOM 0 HE ARG A 42 -13.161 6.240 10.423 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.917 7.442 7.576 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -16.501 7.091 8.274 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -15.185 5.772 11.276 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -16.650 6.148 10.364 1.00 0.00 H new ATOM 713 N PHE A 43 -7.857 5.950 6.105 1.00 0.00 N ATOM 714 CA PHE A 43 -6.632 6.066 5.329 1.00 0.00 C ATOM 715 C PHE A 43 -5.757 4.837 5.559 1.00 0.00 C ATOM 716 O PHE A 43 -5.952 4.085 6.522 1.00 0.00 O ATOM 717 CB PHE A 43 -5.856 7.378 5.672 1.00 0.00 C ATOM 718 CG PHE A 43 -5.306 7.491 7.095 1.00 0.00 C ATOM 719 CD1 PHE A 43 -6.101 7.976 8.132 1.00 0.00 C ATOM 720 CD2 PHE A 43 -3.978 7.149 7.383 1.00 0.00 C ATOM 721 CE1 PHE A 43 -5.587 8.118 9.408 1.00 0.00 C ATOM 722 CE2 PHE A 43 -3.473 7.285 8.659 1.00 0.00 C ATOM 723 CZ PHE A 43 -4.276 7.773 9.669 1.00 0.00 C ATOM 0 H PHE A 43 -7.761 5.358 6.930 1.00 0.00 H new ATOM 0 HA PHE A 43 -6.898 6.119 4.273 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -5.023 7.474 4.975 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -6.520 8.224 5.494 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -7.129 8.244 7.937 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -3.342 6.774 6.595 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.212 8.499 10.202 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.450 7.010 8.867 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.878 7.885 10.667 1.00 0.00 H new ATOM 733 N VAL A 44 -4.789 4.664 4.668 1.00 0.00 N ATOM 734 CA VAL A 44 -3.797 3.596 4.735 1.00 0.00 C ATOM 735 C VAL A 44 -2.451 4.238 5.028 1.00 0.00 C ATOM 736 O VAL A 44 -2.054 5.185 4.343 1.00 0.00 O ATOM 737 CB VAL A 44 -3.710 2.789 3.399 1.00 0.00 C ATOM 738 CG1 VAL A 44 -2.683 1.635 3.515 1.00 0.00 C ATOM 739 CG2 VAL A 44 -5.099 2.272 2.983 1.00 0.00 C ATOM 0 H VAL A 44 -4.668 5.275 3.860 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.085 2.892 5.516 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.359 3.460 2.615 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.641 1.089 2.573 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.699 2.045 3.741 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.985 0.958 4.314 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.015 1.713 2.051 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.493 1.620 3.763 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.774 3.116 2.841 1.00 0.00 H new ATOM 749 N ARG A 45 -1.757 3.718 6.039 1.00 0.00 N ATOM 750 CA ARG A 45 -0.437 4.193 6.418 1.00 0.00 C ATOM 751 C ARG A 45 0.594 3.189 5.919 1.00 0.00 C ATOM 752 O ARG A 45 0.487 1.982 6.171 1.00 0.00 O ATOM 753 CB ARG A 45 -0.327 4.391 7.942 1.00 0.00 C ATOM 754 CG ARG A 45 1.054 4.909 8.407 1.00 0.00 C ATOM 755 CD ARG A 45 1.075 5.252 9.893 1.00 0.00 C ATOM 756 NE ARG A 45 0.166 6.385 10.218 1.00 0.00 N ATOM 757 CZ ARG A 45 -0.714 6.408 11.226 1.00 0.00 C ATOM 758 NH1 ARG A 45 -0.833 5.363 12.032 1.00 0.00 N ATOM 759 NH2 ARG A 45 -1.462 7.482 11.429 1.00 0.00 N ATOM 0 H ARG A 45 -2.101 2.952 6.618 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.255 5.167 5.963 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.095 5.094 8.264 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.535 3.443 8.438 1.00 0.00 H new ATOM 0 HG2 ARG A 45 1.811 4.153 8.201 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.321 5.794 7.829 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.783 4.376 10.471 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.092 5.506 10.192 1.00 0.00 H new ATOM 0 HE ARG A 45 0.218 7.212 9.623 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.253 4.537 11.885 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.505 5.385 12.799 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -1.368 8.292 10.817 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -2.132 7.499 12.197 1.00 0.00 H new ATOM 773 N VAL A 46 1.571 3.719 5.207 1.00 0.00 N ATOM 774 CA VAL A 46 2.647 2.957 4.605 1.00 0.00 C ATOM 775 C VAL A 46 3.774 2.853 5.634 1.00 0.00 C ATOM 776 O VAL A 46 4.459 3.842 5.921 1.00 0.00 O ATOM 777 CB VAL A 46 3.136 3.664 3.288 1.00 0.00 C ATOM 778 CG1 VAL A 46 4.256 2.874 2.580 1.00 0.00 C ATOM 779 CG2 VAL A 46 1.937 3.940 2.340 1.00 0.00 C ATOM 0 H VAL A 46 1.639 4.721 5.027 1.00 0.00 H new ATOM 0 HA VAL A 46 2.311 1.958 4.329 1.00 0.00 H new ATOM 0 HB VAL A 46 3.572 4.622 3.571 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.559 3.403 1.677 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.112 2.778 3.248 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.890 1.882 2.314 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.295 4.430 1.434 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.456 2.998 2.078 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.218 4.587 2.842 1.00 0.00 H new ATOM 789 N THR A 47 3.936 1.659 6.205 1.00 0.00 N ATOM 790 CA THR A 47 4.991 1.363 7.166 1.00 0.00 C ATOM 791 C THR A 47 6.133 0.713 6.393 1.00 0.00 C ATOM 792 O THR A 47 5.912 -0.265 5.686 1.00 0.00 O ATOM 793 CB THR A 47 4.475 0.417 8.293 1.00 0.00 C ATOM 794 OG1 THR A 47 3.356 1.031 8.958 1.00 0.00 O ATOM 795 CG2 THR A 47 5.574 0.055 9.324 1.00 0.00 C ATOM 0 H THR A 47 3.329 0.863 6.009 1.00 0.00 H new ATOM 0 HA THR A 47 5.328 2.277 7.655 1.00 0.00 H new ATOM 0 HB THR A 47 4.169 -0.516 7.821 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.426 0.879 9.924 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.156 -0.605 10.084 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.396 -0.450 8.817 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.943 0.965 9.797 1.00 0.00 H new ATOM 803 N PHE A 48 7.330 1.283 6.524 1.00 0.00 N ATOM 804 CA PHE A 48 8.514 0.882 5.749 1.00 0.00 C ATOM 805 C PHE A 48 9.351 -0.131 6.517 1.00 0.00 C ATOM 806 O PHE A 48 9.107 -0.392 7.697 1.00 0.00 O ATOM 807 CB PHE A 48 9.375 2.122 5.416 1.00 0.00 C ATOM 808 CG PHE A 48 8.666 3.126 4.523 1.00 0.00 C ATOM 809 CD1 PHE A 48 8.729 3.006 3.140 1.00 0.00 C ATOM 810 CD2 PHE A 48 7.925 4.174 5.061 1.00 0.00 C ATOM 811 CE1 PHE A 48 8.081 3.903 2.326 1.00 0.00 C ATOM 812 CE2 PHE A 48 7.275 5.071 4.241 1.00 0.00 C ATOM 813 CZ PHE A 48 7.356 4.935 2.873 1.00 0.00 C ATOM 0 H PHE A 48 7.512 2.045 7.177 1.00 0.00 H new ATOM 0 HA PHE A 48 8.172 0.418 4.824 1.00 0.00 H new ATOM 0 HB2 PHE A 48 9.665 2.614 6.344 1.00 0.00 H new ATOM 0 HB3 PHE A 48 10.293 1.797 4.927 1.00 0.00 H new ATOM 0 HD1 PHE A 48 9.294 2.198 2.700 1.00 0.00 H new ATOM 0 HD2 PHE A 48 7.859 4.286 6.133 1.00 0.00 H new ATOM 0 HE1 PHE A 48 8.141 3.797 1.253 1.00 0.00 H new ATOM 0 HE2 PHE A 48 6.703 5.880 4.671 1.00 0.00 H new ATOM 0 HZ PHE A 48 6.850 5.639 2.230 1.00 0.00 H new ATOM 823 N THR A 49 10.334 -0.704 5.818 1.00 0.00 N ATOM 824 CA THR A 49 11.385 -1.516 6.438 1.00 0.00 C ATOM 825 C THR A 49 12.469 -0.551 6.987 1.00 0.00 C ATOM 826 O THR A 49 12.690 0.496 6.370 1.00 0.00 O ATOM 827 CB THR A 49 11.997 -2.517 5.402 1.00 0.00 C ATOM 828 OG1 THR A 49 12.611 -1.809 4.321 1.00 0.00 O ATOM 829 CG2 THR A 49 10.926 -3.465 4.838 1.00 0.00 C ATOM 0 H THR A 49 10.424 -0.618 4.806 1.00 0.00 H new ATOM 0 HA THR A 49 10.971 -2.112 7.251 1.00 0.00 H new ATOM 0 HB THR A 49 12.748 -3.107 5.927 1.00 0.00 H new ATOM 0 HG1 THR A 49 12.990 -2.450 3.684 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.384 -4.147 4.122 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.482 -4.038 5.652 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.151 -2.883 4.340 1.00 0.00 H new ATOM 837 N PRO A 50 13.145 -0.854 8.151 1.00 0.00 N ATOM 838 CA PRO A 50 14.126 0.075 8.801 1.00 0.00 C ATOM 839 C PRO A 50 15.237 0.570 7.846 1.00 0.00 C ATOM 840 O PRO A 50 15.669 1.726 7.937 1.00 0.00 O ATOM 841 CB PRO A 50 14.716 -0.771 9.973 1.00 0.00 C ATOM 842 CG PRO A 50 14.324 -2.192 9.677 1.00 0.00 C ATOM 843 CD PRO A 50 13.008 -2.104 8.942 1.00 0.00 C ATOM 0 HA PRO A 50 13.643 0.995 9.129 1.00 0.00 H new ATOM 0 HB2 PRO A 50 15.800 -0.666 10.027 1.00 0.00 H new ATOM 0 HB3 PRO A 50 14.316 -0.445 10.933 1.00 0.00 H new ATOM 0 HG2 PRO A 50 15.080 -2.689 9.069 1.00 0.00 H new ATOM 0 HG3 PRO A 50 14.222 -2.770 10.595 1.00 0.00 H new ATOM 0 HD2 PRO A 50 12.846 -2.971 8.301 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.165 -2.055 9.631 1.00 0.00 H new ATOM 851 N GLY A 51 15.655 -0.310 6.922 1.00 0.00 N ATOM 852 CA GLY A 51 16.709 0.004 5.955 1.00 0.00 C ATOM 853 C GLY A 51 16.220 0.799 4.745 1.00 0.00 C ATOM 854 O GLY A 51 17.034 1.405 4.045 1.00 0.00 O ATOM 0 H GLY A 51 15.273 -1.251 6.828 1.00 0.00 H new ATOM 0 HA2 GLY A 51 17.493 0.571 6.457 1.00 0.00 H new ATOM 0 HA3 GLY A 51 17.160 -0.926 5.609 1.00 0.00 H new ATOM 858 N LYS A 52 14.893 0.800 4.492 1.00 0.00 N ATOM 859 CA LYS A 52 14.278 1.512 3.344 1.00 0.00 C ATOM 860 C LYS A 52 13.289 2.612 3.794 1.00 0.00 C ATOM 861 O LYS A 52 12.465 3.067 2.989 1.00 0.00 O ATOM 862 CB LYS A 52 13.548 0.518 2.415 1.00 0.00 C ATOM 863 CG LYS A 52 14.430 -0.567 1.783 1.00 0.00 C ATOM 864 CD LYS A 52 15.554 -0.007 0.881 1.00 0.00 C ATOM 865 CE LYS A 52 16.314 -1.122 0.153 1.00 0.00 C ATOM 866 NZ LYS A 52 16.863 -2.132 1.089 1.00 0.00 N ATOM 0 H LYS A 52 14.216 0.308 5.076 1.00 0.00 H new ATOM 0 HA LYS A 52 15.093 1.993 2.804 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.756 0.031 2.984 1.00 0.00 H new ATOM 0 HB3 LYS A 52 13.067 1.081 1.616 1.00 0.00 H new ATOM 0 HG2 LYS A 52 14.877 -1.167 2.576 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.802 -1.235 1.194 1.00 0.00 H new ATOM 0 HD2 LYS A 52 15.125 0.677 0.149 1.00 0.00 H new ATOM 0 HD3 LYS A 52 16.251 0.571 1.487 1.00 0.00 H new ATOM 0 HE2 LYS A 52 15.646 -1.612 -0.555 1.00 0.00 H new ATOM 0 HE3 LYS A 52 17.128 -0.686 -0.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 17.453 -2.808 0.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 17.441 -1.658 1.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 16.081 -2.640 1.550 1.00 0.00 H new ATOM 880 N THR A 53 13.364 3.027 5.069 1.00 0.00 N ATOM 881 CA THR A 53 12.630 4.210 5.560 1.00 0.00 C ATOM 882 C THR A 53 13.174 5.483 4.870 1.00 0.00 C ATOM 883 O THR A 53 14.397 5.590 4.700 1.00 0.00 O ATOM 884 CB THR A 53 12.755 4.344 7.118 1.00 0.00 C ATOM 885 OG1 THR A 53 14.133 4.210 7.520 1.00 0.00 O ATOM 886 CG2 THR A 53 11.902 3.296 7.848 1.00 0.00 C ATOM 0 H THR A 53 13.926 2.561 5.781 1.00 0.00 H new ATOM 0 HA THR A 53 11.575 4.088 5.316 1.00 0.00 H new ATOM 0 HB THR A 53 12.387 5.332 7.392 1.00 0.00 H new ATOM 0 HG1 THR A 53 14.357 3.260 7.608 1.00 0.00 H new ATOM 0 HG21 THR A 53 12.015 3.421 8.925 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.855 3.426 7.576 1.00 0.00 H new ATOM 0 HG23 THR A 53 12.230 2.297 7.562 1.00 0.00 H new ATOM 894 N PRO A 54 12.285 6.448 4.425 1.00 0.00 N ATOM 895 CA PRO A 54 12.722 7.728 3.807 1.00 0.00 C ATOM 896 C PRO A 54 13.696 8.496 4.731 1.00 0.00 C ATOM 897 O PRO A 54 13.655 8.313 5.948 1.00 0.00 O ATOM 898 CB PRO A 54 11.393 8.515 3.576 1.00 0.00 C ATOM 899 CG PRO A 54 10.361 7.803 4.402 1.00 0.00 C ATOM 900 CD PRO A 54 10.806 6.357 4.453 1.00 0.00 C ATOM 0 HA PRO A 54 13.274 7.578 2.879 1.00 0.00 H new ATOM 0 HB2 PRO A 54 11.494 9.556 3.884 1.00 0.00 H new ATOM 0 HB3 PRO A 54 11.117 8.520 2.521 1.00 0.00 H new ATOM 0 HG2 PRO A 54 10.298 8.229 5.403 1.00 0.00 H new ATOM 0 HG3 PRO A 54 9.371 7.893 3.955 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.452 5.860 5.356 1.00 0.00 H new ATOM 0 HD3 PRO A 54 10.423 5.789 3.605 1.00 0.00 H new ATOM 908 N VAL A 55 14.559 9.343 4.129 1.00 0.00 N ATOM 909 CA VAL A 55 15.686 10.028 4.825 1.00 0.00 C ATOM 910 C VAL A 55 15.216 10.865 6.052 1.00 0.00 C ATOM 911 O VAL A 55 15.962 11.033 7.025 1.00 0.00 O ATOM 912 CB VAL A 55 16.486 10.933 3.807 1.00 0.00 C ATOM 913 CG1 VAL A 55 15.575 12.025 3.195 1.00 0.00 C ATOM 914 CG2 VAL A 55 17.765 11.544 4.444 1.00 0.00 C ATOM 0 H VAL A 55 14.498 9.577 3.138 1.00 0.00 H new ATOM 0 HA VAL A 55 16.345 9.250 5.212 1.00 0.00 H new ATOM 0 HB VAL A 55 16.821 10.286 2.996 1.00 0.00 H new ATOM 0 HG11 VAL A 55 16.153 12.632 2.498 1.00 0.00 H new ATOM 0 HG12 VAL A 55 14.747 11.553 2.665 1.00 0.00 H new ATOM 0 HG13 VAL A 55 15.183 12.659 3.990 1.00 0.00 H new ATOM 0 HG21 VAL A 55 18.281 12.158 3.706 1.00 0.00 H new ATOM 0 HG22 VAL A 55 17.487 12.161 5.299 1.00 0.00 H new ATOM 0 HG23 VAL A 55 18.425 10.742 4.775 1.00 0.00 H new ATOM 924 N ASP A 56 13.959 11.335 6.008 1.00 0.00 N ATOM 925 CA ASP A 56 13.318 12.100 7.110 1.00 0.00 C ATOM 926 C ASP A 56 13.095 11.250 8.382 1.00 0.00 C ATOM 927 O ASP A 56 12.787 11.802 9.455 1.00 0.00 O ATOM 928 CB ASP A 56 11.958 12.659 6.625 1.00 0.00 C ATOM 929 CG ASP A 56 12.104 13.753 5.559 1.00 0.00 C ATOM 930 OD1 ASP A 56 12.523 13.437 4.426 1.00 0.00 O ATOM 931 OD2 ASP A 56 11.777 14.928 5.831 1.00 0.00 O ATOM 0 H ASP A 56 13.347 11.198 5.204 1.00 0.00 H new ATOM 0 HA ASP A 56 13.998 12.909 7.376 1.00 0.00 H new ATOM 0 HB2 ASP A 56 11.360 11.843 6.220 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.412 13.062 7.478 1.00 0.00 H new ATOM 936 N GLY A 57 13.230 9.918 8.240 1.00 0.00 N ATOM 937 CA GLY A 57 12.987 8.967 9.325 1.00 0.00 C ATOM 938 C GLY A 57 11.511 8.873 9.690 1.00 0.00 C ATOM 939 O GLY A 57 11.162 8.674 10.857 1.00 0.00 O ATOM 0 H GLY A 57 13.512 9.477 7.365 1.00 0.00 H new ATOM 0 HA2 GLY A 57 13.350 7.982 9.030 1.00 0.00 H new ATOM 0 HA3 GLY A 57 13.558 9.267 10.203 1.00 0.00 H new ATOM 943 N GLN A 58 10.642 9.029 8.674 1.00 0.00 N ATOM 944 CA GLN A 58 9.177 9.071 8.846 1.00 0.00 C ATOM 945 C GLN A 58 8.500 7.990 7.992 1.00 0.00 C ATOM 946 O GLN A 58 9.165 7.139 7.385 1.00 0.00 O ATOM 947 CB GLN A 58 8.639 10.485 8.462 1.00 0.00 C ATOM 948 CG GLN A 58 9.169 11.640 9.340 1.00 0.00 C ATOM 949 CD GLN A 58 8.841 11.470 10.830 1.00 0.00 C ATOM 950 OE1 GLN A 58 7.822 10.890 11.200 1.00 0.00 O ATOM 951 NE2 GLN A 58 9.683 11.996 11.697 1.00 0.00 N ATOM 0 H GLN A 58 10.939 9.130 7.703 1.00 0.00 H new ATOM 0 HA GLN A 58 8.941 8.874 9.892 1.00 0.00 H new ATOM 0 HB2 GLN A 58 8.900 10.688 7.423 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.551 10.473 8.521 1.00 0.00 H new ATOM 0 HG2 GLN A 58 10.250 11.713 9.219 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.745 12.580 8.987 1.00 0.00 H new ATOM 0 HE21 GLN A 58 10.522 12.473 11.368 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.495 11.926 12.697 1.00 0.00 H new ATOM 960 N TYR A 59 7.165 8.018 7.994 1.00 0.00 N ATOM 961 CA TYR A 59 6.322 7.193 7.123 1.00 0.00 C ATOM 962 C TYR A 59 5.593 8.088 6.123 1.00 0.00 C ATOM 963 O TYR A 59 5.687 9.322 6.191 1.00 0.00 O ATOM 964 CB TYR A 59 5.300 6.391 7.969 1.00 0.00 C ATOM 965 CG TYR A 59 5.970 5.445 8.978 1.00 0.00 C ATOM 966 CD1 TYR A 59 6.737 4.361 8.534 1.00 0.00 C ATOM 967 CD2 TYR A 59 5.877 5.650 10.360 1.00 0.00 C ATOM 968 CE1 TYR A 59 7.374 3.521 9.425 1.00 0.00 C ATOM 969 CE2 TYR A 59 6.523 4.812 11.248 1.00 0.00 C ATOM 970 CZ TYR A 59 7.264 3.751 10.774 1.00 0.00 C ATOM 971 OH TYR A 59 7.908 2.927 11.663 1.00 0.00 O ATOM 0 H TYR A 59 6.629 8.626 8.613 1.00 0.00 H new ATOM 0 HA TYR A 59 6.950 6.487 6.580 1.00 0.00 H new ATOM 0 HB2 TYR A 59 4.654 7.087 8.505 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.661 5.811 7.303 1.00 0.00 H new ATOM 0 HD1 TYR A 59 6.832 4.179 7.474 1.00 0.00 H new ATOM 0 HD2 TYR A 59 5.292 6.475 10.737 1.00 0.00 H new ATOM 0 HE1 TYR A 59 7.956 2.687 9.063 1.00 0.00 H new ATOM 0 HE2 TYR A 59 6.448 4.988 12.311 1.00 0.00 H new ATOM 0 HH TYR A 59 7.728 3.229 12.578 1.00 0.00 H new ATOM 981 N VAL A 60 4.881 7.458 5.182 1.00 0.00 N ATOM 982 CA VAL A 60 3.971 8.153 4.261 1.00 0.00 C ATOM 983 C VAL A 60 2.580 7.504 4.389 1.00 0.00 C ATOM 984 O VAL A 60 2.455 6.440 5.005 1.00 0.00 O ATOM 985 CB VAL A 60 4.494 8.135 2.769 1.00 0.00 C ATOM 986 CG1 VAL A 60 5.953 8.653 2.673 1.00 0.00 C ATOM 987 CG2 VAL A 60 4.371 6.741 2.128 1.00 0.00 C ATOM 0 H VAL A 60 4.919 6.449 5.036 1.00 0.00 H new ATOM 0 HA VAL A 60 3.916 9.207 4.533 1.00 0.00 H new ATOM 0 HB VAL A 60 3.853 8.813 2.206 1.00 0.00 H new ATOM 0 HG11 VAL A 60 6.281 8.627 1.634 1.00 0.00 H new ATOM 0 HG12 VAL A 60 6.001 9.677 3.043 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.604 8.019 3.275 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.742 6.777 1.104 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.958 6.024 2.701 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.325 6.433 2.124 1.00 0.00 H new ATOM 997 N TRP A 61 1.540 8.153 3.845 1.00 0.00 N ATOM 998 CA TRP A 61 0.145 7.681 3.976 1.00 0.00 C ATOM 999 C TRP A 61 -0.772 8.388 2.974 1.00 0.00 C ATOM 1000 O TRP A 61 -0.457 9.475 2.497 1.00 0.00 O ATOM 1001 CB TRP A 61 -0.383 7.904 5.424 1.00 0.00 C ATOM 1002 CG TRP A 61 -0.423 9.352 5.867 1.00 0.00 C ATOM 1003 CD1 TRP A 61 0.633 10.118 6.275 1.00 0.00 C ATOM 1004 CD2 TRP A 61 -1.579 10.198 5.943 1.00 0.00 C ATOM 1005 NE1 TRP A 61 0.202 11.374 6.612 1.00 0.00 N ATOM 1006 CE2 TRP A 61 -1.151 11.446 6.417 1.00 0.00 C ATOM 1007 CE3 TRP A 61 -2.937 10.012 5.663 1.00 0.00 C ATOM 1008 CZ2 TRP A 61 -2.030 12.504 6.612 1.00 0.00 C ATOM 1009 CZ3 TRP A 61 -3.810 11.060 5.855 1.00 0.00 C ATOM 1010 CH2 TRP A 61 -3.356 12.293 6.330 1.00 0.00 C ATOM 0 H TRP A 61 1.636 9.013 3.305 1.00 0.00 H new ATOM 0 HA TRP A 61 0.139 6.613 3.760 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.388 7.488 5.498 1.00 0.00 H new ATOM 0 HB3 TRP A 61 0.246 7.344 6.116 1.00 0.00 H new ATOM 0 HD1 TRP A 61 1.658 9.782 6.325 1.00 0.00 H new ATOM 0 HE1 TRP A 61 0.793 12.132 6.953 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -3.296 9.060 5.301 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -1.681 13.460 6.973 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -4.859 10.927 5.636 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -4.063 13.096 6.478 1.00 0.00 H new ATOM 1021 N PHE A 62 -1.930 7.777 2.702 1.00 0.00 N ATOM 1022 CA PHE A 62 -2.907 8.289 1.727 1.00 0.00 C ATOM 1023 C PHE A 62 -4.331 7.927 2.174 1.00 0.00 C ATOM 1024 O PHE A 62 -4.551 6.821 2.683 1.00 0.00 O ATOM 1025 CB PHE A 62 -2.599 7.729 0.305 1.00 0.00 C ATOM 1026 CG PHE A 62 -2.506 6.199 0.217 1.00 0.00 C ATOM 1027 CD1 PHE A 62 -1.313 5.535 0.514 1.00 0.00 C ATOM 1028 CD2 PHE A 62 -3.609 5.428 -0.154 1.00 0.00 C ATOM 1029 CE1 PHE A 62 -1.228 4.155 0.446 1.00 0.00 C ATOM 1030 CE2 PHE A 62 -3.520 4.053 -0.222 1.00 0.00 C ATOM 1031 CZ PHE A 62 -2.331 3.417 0.078 1.00 0.00 C ATOM 0 H PHE A 62 -2.220 6.909 3.153 1.00 0.00 H new ATOM 0 HA PHE A 62 -2.831 9.375 1.679 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.375 8.071 -0.380 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.658 8.156 -0.041 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.443 6.108 0.801 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -4.544 5.914 -0.391 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.298 3.658 0.681 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -4.383 3.472 -0.511 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.266 2.340 0.024 1.00 0.00 H new ATOM 1041 N ASN A 63 -5.293 8.846 1.957 1.00 0.00 N ATOM 1042 CA ASN A 63 -6.701 8.634 2.356 1.00 0.00 C ATOM 1043 C ASN A 63 -7.404 7.779 1.290 1.00 0.00 C ATOM 1044 O ASN A 63 -7.131 7.928 0.086 1.00 0.00 O ATOM 1045 CB ASN A 63 -7.452 9.987 2.596 1.00 0.00 C ATOM 1046 CG ASN A 63 -7.806 10.763 1.316 1.00 0.00 C ATOM 1047 OD1 ASN A 63 -7.024 11.580 0.840 1.00 0.00 O ATOM 1048 ND2 ASN A 63 -8.989 10.511 0.761 1.00 0.00 N ATOM 0 H ASN A 63 -5.121 9.745 1.507 1.00 0.00 H new ATOM 0 HA ASN A 63 -6.719 8.104 3.308 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.370 9.784 3.147 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -6.834 10.622 3.230 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.270 11.004 -0.087 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.615 9.825 1.183 1.00 0.00 H new ATOM 1055 N ILE A 64 -8.285 6.861 1.731 1.00 0.00 N ATOM 1056 CA ILE A 64 -9.038 5.965 0.833 1.00 0.00 C ATOM 1057 C ILE A 64 -10.549 6.229 0.957 1.00 0.00 C ATOM 1058 O ILE A 64 -11.105 6.222 2.059 1.00 0.00 O ATOM 1059 CB ILE A 64 -8.699 4.439 1.088 1.00 0.00 C ATOM 1060 CG1 ILE A 64 -8.901 4.037 2.590 1.00 0.00 C ATOM 1061 CG2 ILE A 64 -7.252 4.109 0.609 1.00 0.00 C ATOM 1062 CD1 ILE A 64 -8.775 2.550 2.872 1.00 0.00 C ATOM 0 H ILE A 64 -8.495 6.720 2.719 1.00 0.00 H new ATOM 0 HA ILE A 64 -8.729 6.187 -0.188 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.400 3.845 0.501 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -8.169 4.571 3.196 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.887 4.372 2.912 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -7.039 3.056 0.793 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.166 4.315 -0.458 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -6.538 4.725 1.156 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -8.930 2.367 3.935 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -9.524 2.006 2.297 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -7.780 2.208 2.586 1.00 0.00 H new ATOM 1074 N GLY A 65 -11.187 6.530 -0.189 1.00 0.00 N ATOM 1075 CA GLY A 65 -12.630 6.728 -0.253 1.00 0.00 C ATOM 1076 C GLY A 65 -13.379 5.416 -0.089 1.00 0.00 C ATOM 1077 O GLY A 65 -14.403 5.349 0.604 1.00 0.00 O ATOM 0 H GLY A 65 -10.713 6.640 -1.085 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.938 7.424 0.527 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.894 7.182 -1.208 1.00 0.00 H new ATOM 1081 N SER A 66 -12.844 4.363 -0.721 1.00 0.00 N ATOM 1082 CA SER A 66 -13.371 3.003 -0.638 1.00 0.00 C ATOM 1083 C SER A 66 -12.219 2.048 -0.295 1.00 0.00 C ATOM 1084 O SER A 66 -11.222 1.971 -1.027 1.00 0.00 O ATOM 1085 CB SER A 66 -14.038 2.605 -1.972 1.00 0.00 C ATOM 1086 OG SER A 66 -14.428 1.237 -1.981 1.00 0.00 O ATOM 0 H SER A 66 -12.018 4.439 -1.314 1.00 0.00 H new ATOM 0 HA SER A 66 -14.130 2.946 0.142 1.00 0.00 H new ATOM 0 HB2 SER A 66 -14.912 3.233 -2.143 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.346 2.791 -2.794 1.00 0.00 H new ATOM 0 HG SER A 66 -14.848 1.022 -2.840 1.00 0.00 H new ATOM 1092 N VAL A 67 -12.363 1.360 0.844 1.00 0.00 N ATOM 1093 CA VAL A 67 -11.468 0.275 1.282 1.00 0.00 C ATOM 1094 C VAL A 67 -11.382 -0.829 0.210 1.00 0.00 C ATOM 1095 O VAL A 67 -10.299 -1.372 -0.046 1.00 0.00 O ATOM 1096 CB VAL A 67 -11.965 -0.332 2.650 1.00 0.00 C ATOM 1097 CG1 VAL A 67 -11.066 -1.499 3.121 1.00 0.00 C ATOM 1098 CG2 VAL A 67 -12.071 0.779 3.732 1.00 0.00 C ATOM 0 H VAL A 67 -13.120 1.544 1.503 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.472 0.694 1.426 1.00 0.00 H new ATOM 0 HB VAL A 67 -12.960 -0.747 2.490 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.442 -1.889 4.067 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -11.076 -2.291 2.372 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -10.046 -1.140 3.257 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -12.415 0.342 4.669 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -11.093 1.235 3.882 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.780 1.540 3.404 1.00 0.00 H new ATOM 1108 N ASP A 68 -12.538 -1.112 -0.422 1.00 0.00 N ATOM 1109 CA ASP A 68 -12.667 -2.116 -1.498 1.00 0.00 C ATOM 1110 C ASP A 68 -11.779 -1.750 -2.694 1.00 0.00 C ATOM 1111 O ASP A 68 -11.065 -2.604 -3.227 1.00 0.00 O ATOM 1112 CB ASP A 68 -14.151 -2.245 -1.953 1.00 0.00 C ATOM 1113 CG ASP A 68 -15.101 -2.626 -0.803 1.00 0.00 C ATOM 1114 OD1 ASP A 68 -15.236 -3.830 -0.503 1.00 0.00 O ATOM 1115 OD2 ASP A 68 -15.695 -1.722 -0.173 1.00 0.00 O ATOM 0 H ASP A 68 -13.417 -0.646 -0.198 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.337 -3.077 -1.103 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.476 -1.299 -2.387 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.220 -2.997 -2.739 1.00 0.00 H new ATOM 1120 N THR A 69 -11.826 -0.466 -3.086 1.00 0.00 N ATOM 1121 CA THR A 69 -11.018 0.072 -4.189 1.00 0.00 C ATOM 1122 C THR A 69 -9.512 -0.110 -3.903 1.00 0.00 C ATOM 1123 O THR A 69 -8.773 -0.611 -4.756 1.00 0.00 O ATOM 1124 CB THR A 69 -11.363 1.576 -4.436 1.00 0.00 C ATOM 1125 OG1 THR A 69 -12.749 1.684 -4.800 1.00 0.00 O ATOM 1126 CG2 THR A 69 -10.501 2.231 -5.528 1.00 0.00 C ATOM 0 H THR A 69 -12.428 0.229 -2.644 1.00 0.00 H new ATOM 0 HA THR A 69 -11.257 -0.485 -5.095 1.00 0.00 H new ATOM 0 HB THR A 69 -11.152 2.108 -3.508 1.00 0.00 H new ATOM 0 HG1 THR A 69 -12.974 2.625 -4.955 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.795 3.274 -5.646 1.00 0.00 H new ATOM 0 HG22 THR A 69 -9.451 2.180 -5.242 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.646 1.704 -6.471 1.00 0.00 H new ATOM 1134 N PHE A 70 -9.097 0.259 -2.678 1.00 0.00 N ATOM 1135 CA PHE A 70 -7.707 0.117 -2.206 1.00 0.00 C ATOM 1136 C PHE A 70 -7.187 -1.333 -2.371 1.00 0.00 C ATOM 1137 O PHE A 70 -6.202 -1.566 -3.087 1.00 0.00 O ATOM 1138 CB PHE A 70 -7.594 0.583 -0.716 1.00 0.00 C ATOM 1139 CG PHE A 70 -6.324 0.102 -0.004 1.00 0.00 C ATOM 1140 CD1 PHE A 70 -5.063 0.536 -0.410 1.00 0.00 C ATOM 1141 CD2 PHE A 70 -6.398 -0.834 1.032 1.00 0.00 C ATOM 1142 CE1 PHE A 70 -3.921 0.058 0.203 1.00 0.00 C ATOM 1143 CE2 PHE A 70 -5.258 -1.313 1.634 1.00 0.00 C ATOM 1144 CZ PHE A 70 -4.021 -0.869 1.222 1.00 0.00 C ATOM 0 H PHE A 70 -9.721 0.667 -1.982 1.00 0.00 H new ATOM 0 HA PHE A 70 -7.077 0.756 -2.825 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.625 1.672 -0.684 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.464 0.223 -0.167 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -4.978 1.254 -1.213 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.364 -1.186 1.364 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -2.950 0.409 -0.114 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.333 -2.038 2.431 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.127 -1.246 1.697 1.00 0.00 H new ATOM 1154 N GLU A 71 -7.865 -2.286 -1.702 1.00 0.00 N ATOM 1155 CA GLU A 71 -7.380 -3.668 -1.554 1.00 0.00 C ATOM 1156 C GLU A 71 -7.384 -4.428 -2.893 1.00 0.00 C ATOM 1157 O GLU A 71 -6.418 -5.143 -3.196 1.00 0.00 O ATOM 1158 CB GLU A 71 -8.196 -4.403 -0.445 1.00 0.00 C ATOM 1159 CG GLU A 71 -9.744 -4.474 -0.649 1.00 0.00 C ATOM 1160 CD GLU A 71 -10.287 -5.865 -1.043 1.00 0.00 C ATOM 1161 OE1 GLU A 71 -9.836 -6.425 -2.056 1.00 0.00 O ATOM 1162 OE2 GLU A 71 -11.171 -6.404 -0.344 1.00 0.00 O ATOM 0 H GLU A 71 -8.764 -2.117 -1.250 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.337 -3.637 -1.237 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -7.816 -5.421 -0.360 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.000 -3.909 0.507 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.232 -4.158 0.273 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -10.027 -3.758 -1.421 1.00 0.00 H new ATOM 1169 N ARG A 72 -8.461 -4.252 -3.698 1.00 0.00 N ATOM 1170 CA ARG A 72 -8.598 -4.909 -5.025 1.00 0.00 C ATOM 1171 C ARG A 72 -7.497 -4.445 -5.978 1.00 0.00 C ATOM 1172 O ARG A 72 -6.839 -5.265 -6.633 1.00 0.00 O ATOM 1173 CB ARG A 72 -9.975 -4.617 -5.673 1.00 0.00 C ATOM 1174 CG ARG A 72 -11.185 -5.247 -4.959 1.00 0.00 C ATOM 1175 CD ARG A 72 -12.494 -4.942 -5.696 1.00 0.00 C ATOM 1176 NE ARG A 72 -12.458 -5.410 -7.099 1.00 0.00 N ATOM 1177 CZ ARG A 72 -13.397 -5.177 -8.027 1.00 0.00 C ATOM 1178 NH1 ARG A 72 -14.494 -4.475 -7.741 1.00 0.00 N ATOM 1179 NH2 ARG A 72 -13.223 -5.649 -9.255 1.00 0.00 N ATOM 0 H ARG A 72 -9.252 -3.657 -3.451 1.00 0.00 H new ATOM 0 HA ARG A 72 -8.511 -5.982 -4.853 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.118 -3.537 -5.711 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -9.956 -4.973 -6.703 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -11.047 -6.326 -4.891 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.244 -4.869 -3.939 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -13.324 -5.419 -5.175 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -12.680 -3.868 -5.676 1.00 0.00 H new ATOM 0 HE ARG A 72 -11.647 -5.958 -7.386 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -14.631 -4.104 -6.801 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -15.196 -4.309 -8.462 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -12.383 -6.181 -9.483 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -13.929 -5.479 -9.971 1.00 0.00 H new ATOM 1193 N ASN A 73 -7.303 -3.117 -6.032 1.00 0.00 N ATOM 1194 CA ASN A 73 -6.311 -2.503 -6.919 1.00 0.00 C ATOM 1195 C ASN A 73 -4.896 -2.904 -6.493 1.00 0.00 C ATOM 1196 O ASN A 73 -4.057 -3.156 -7.344 1.00 0.00 O ATOM 1197 CB ASN A 73 -6.459 -0.955 -6.958 1.00 0.00 C ATOM 1198 CG ASN A 73 -7.728 -0.472 -7.669 1.00 0.00 C ATOM 1199 OD1 ASN A 73 -8.298 -1.162 -8.513 1.00 0.00 O ATOM 1200 ND2 ASN A 73 -8.153 0.734 -7.352 1.00 0.00 N ATOM 0 H ASN A 73 -7.825 -2.448 -5.467 1.00 0.00 H new ATOM 0 HA ASN A 73 -6.490 -2.873 -7.929 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -6.458 -0.574 -5.937 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -5.589 -0.529 -7.458 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -8.978 1.121 -7.811 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -7.658 1.281 -6.648 1.00 0.00 H new ATOM 1207 N LEU A 74 -4.662 -2.972 -5.171 1.00 0.00 N ATOM 1208 CA LEU A 74 -3.364 -3.354 -4.590 1.00 0.00 C ATOM 1209 C LEU A 74 -2.911 -4.755 -5.058 1.00 0.00 C ATOM 1210 O LEU A 74 -1.832 -4.893 -5.637 1.00 0.00 O ATOM 1211 CB LEU A 74 -3.440 -3.308 -3.041 1.00 0.00 C ATOM 1212 CG LEU A 74 -2.130 -3.697 -2.277 1.00 0.00 C ATOM 1213 CD1 LEU A 74 -0.987 -2.689 -2.537 1.00 0.00 C ATOM 1214 CD2 LEU A 74 -2.397 -3.866 -0.773 1.00 0.00 C ATOM 0 H LEU A 74 -5.374 -2.762 -4.471 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.623 -2.636 -4.940 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.726 -2.300 -2.741 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.238 -3.976 -2.716 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.800 -4.659 -2.669 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.098 -2.998 -1.988 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.763 -2.660 -3.603 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.293 -1.698 -2.204 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.470 -4.136 -0.267 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.775 -2.929 -0.363 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.136 -4.653 -0.621 1.00 0.00 H new ATOM 1226 N GLU A 75 -3.758 -5.773 -4.814 1.00 0.00 N ATOM 1227 CA GLU A 75 -3.413 -7.183 -5.090 1.00 0.00 C ATOM 1228 C GLU A 75 -3.256 -7.461 -6.607 1.00 0.00 C ATOM 1229 O GLU A 75 -2.367 -8.227 -7.007 1.00 0.00 O ATOM 1230 CB GLU A 75 -4.407 -8.158 -4.385 1.00 0.00 C ATOM 1231 CG GLU A 75 -5.914 -7.997 -4.693 1.00 0.00 C ATOM 1232 CD GLU A 75 -6.408 -8.812 -5.896 1.00 0.00 C ATOM 1233 OE1 GLU A 75 -6.565 -10.046 -5.764 1.00 0.00 O ATOM 1234 OE2 GLU A 75 -6.663 -8.229 -6.958 1.00 0.00 O ATOM 0 H GLU A 75 -4.692 -5.645 -4.424 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.432 -7.375 -4.656 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.119 -9.176 -4.645 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -4.272 -8.054 -3.308 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.485 -8.290 -3.812 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.125 -6.943 -4.873 1.00 0.00 H new ATOM 1241 N THR A 76 -4.080 -6.781 -7.436 1.00 0.00 N ATOM 1242 CA THR A 76 -3.958 -6.814 -8.912 1.00 0.00 C ATOM 1243 C THR A 76 -2.593 -6.231 -9.346 1.00 0.00 C ATOM 1244 O THR A 76 -1.817 -6.879 -10.049 1.00 0.00 O ATOM 1245 CB THR A 76 -5.112 -5.999 -9.601 1.00 0.00 C ATOM 1246 OG1 THR A 76 -6.385 -6.526 -9.215 1.00 0.00 O ATOM 1247 CG2 THR A 76 -5.012 -6.023 -11.135 1.00 0.00 C ATOM 0 H THR A 76 -4.846 -6.196 -7.103 1.00 0.00 H new ATOM 0 HA THR A 76 -4.033 -7.855 -9.227 1.00 0.00 H new ATOM 0 HB THR A 76 -5.008 -4.966 -9.269 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.276 -7.102 -8.429 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.832 -5.446 -11.562 1.00 0.00 H new ATOM 0 HG22 THR A 76 -4.062 -5.588 -11.445 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.071 -7.053 -11.487 1.00 0.00 H new ATOM 1255 N LEU A 77 -2.351 -4.996 -8.882 1.00 0.00 N ATOM 1256 CA LEU A 77 -1.118 -4.218 -9.110 1.00 0.00 C ATOM 1257 C LEU A 77 0.159 -5.003 -8.774 1.00 0.00 C ATOM 1258 O LEU A 77 1.097 -4.999 -9.557 1.00 0.00 O ATOM 1259 CB LEU A 77 -1.187 -2.928 -8.274 1.00 0.00 C ATOM 1260 CG LEU A 77 -0.010 -1.922 -8.391 1.00 0.00 C ATOM 1261 CD1 LEU A 77 0.187 -1.429 -9.845 1.00 0.00 C ATOM 1262 CD2 LEU A 77 -0.231 -0.744 -7.429 1.00 0.00 C ATOM 0 H LEU A 77 -3.032 -4.490 -8.316 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.061 -3.986 -10.174 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.103 -2.403 -8.544 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.280 -3.213 -7.226 1.00 0.00 H new ATOM 0 HG LEU A 77 0.907 -2.440 -8.109 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.020 -0.727 -9.882 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.401 -2.280 -10.492 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.721 -0.932 -10.187 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.598 -0.042 -7.516 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.163 -0.238 -7.682 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.286 -1.115 -6.406 1.00 0.00 H new ATOM 1274 N GLN A 78 0.162 -5.696 -7.621 1.00 0.00 N ATOM 1275 CA GLN A 78 1.306 -6.516 -7.178 1.00 0.00 C ATOM 1276 C GLN A 78 1.564 -7.671 -8.163 1.00 0.00 C ATOM 1277 O GLN A 78 2.711 -7.940 -8.527 1.00 0.00 O ATOM 1278 CB GLN A 78 1.068 -7.058 -5.747 1.00 0.00 C ATOM 1279 CG GLN A 78 1.064 -5.966 -4.648 1.00 0.00 C ATOM 1280 CD GLN A 78 0.841 -6.511 -3.233 1.00 0.00 C ATOM 1281 OE1 GLN A 78 1.359 -5.967 -2.256 1.00 0.00 O ATOM 1282 NE2 GLN A 78 0.049 -7.566 -3.101 1.00 0.00 N ATOM 0 H GLN A 78 -0.625 -5.704 -6.972 1.00 0.00 H new ATOM 0 HA GLN A 78 2.193 -5.882 -7.160 1.00 0.00 H new ATOM 0 HB2 GLN A 78 0.114 -7.585 -5.724 1.00 0.00 H new ATOM 0 HB3 GLN A 78 1.842 -7.790 -5.514 1.00 0.00 H new ATOM 0 HG2 GLN A 78 2.014 -5.433 -4.676 1.00 0.00 H new ATOM 0 HG3 GLN A 78 0.284 -5.239 -4.874 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -0.367 -7.998 -3.926 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -0.144 -7.946 -2.174 1.00 0.00 H new ATOM 1291 N GLN A 79 0.472 -8.297 -8.634 1.00 0.00 N ATOM 1292 CA GLN A 79 0.543 -9.390 -9.624 1.00 0.00 C ATOM 1293 C GLN A 79 1.092 -8.880 -10.981 1.00 0.00 C ATOM 1294 O GLN A 79 1.842 -9.589 -11.655 1.00 0.00 O ATOM 1295 CB GLN A 79 -0.839 -10.066 -9.802 1.00 0.00 C ATOM 1296 CG GLN A 79 -1.328 -10.844 -8.557 1.00 0.00 C ATOM 1297 CD GLN A 79 -2.732 -11.448 -8.679 1.00 0.00 C ATOM 1298 OE1 GLN A 79 -3.459 -11.562 -7.692 1.00 0.00 O ATOM 1299 NE2 GLN A 79 -3.128 -11.860 -9.880 1.00 0.00 N ATOM 0 H GLN A 79 -0.478 -8.064 -8.344 1.00 0.00 H new ATOM 0 HA GLN A 79 1.238 -10.140 -9.245 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -1.575 -9.302 -10.052 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -0.790 -10.751 -10.649 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.621 -11.647 -8.348 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -1.311 -10.173 -7.698 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.510 -11.756 -10.684 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -4.050 -12.280 -9.997 1.00 0.00 H new ATOM 1308 N GLU A 80 0.731 -7.631 -11.348 1.00 0.00 N ATOM 1309 CA GLU A 80 1.198 -6.976 -12.596 1.00 0.00 C ATOM 1310 C GLU A 80 2.685 -6.598 -12.510 1.00 0.00 C ATOM 1311 O GLU A 80 3.452 -6.828 -13.454 1.00 0.00 O ATOM 1312 CB GLU A 80 0.354 -5.716 -12.882 1.00 0.00 C ATOM 1313 CG GLU A 80 -1.131 -6.000 -13.125 1.00 0.00 C ATOM 1314 CD GLU A 80 -1.941 -4.725 -13.373 1.00 0.00 C ATOM 1315 OE1 GLU A 80 -2.209 -3.994 -12.401 1.00 0.00 O ATOM 1316 OE2 GLU A 80 -2.304 -4.443 -14.534 1.00 0.00 O ATOM 0 H GLU A 80 0.108 -7.047 -10.790 1.00 0.00 H new ATOM 0 HA GLU A 80 1.076 -7.689 -13.412 1.00 0.00 H new ATOM 0 HB2 GLU A 80 0.449 -5.030 -12.040 1.00 0.00 H new ATOM 0 HB3 GLU A 80 0.763 -5.208 -13.755 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.234 -6.664 -13.983 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.542 -6.526 -12.263 1.00 0.00 H new ATOM 1323 N LEU A 81 3.081 -6.029 -11.357 1.00 0.00 N ATOM 1324 CA LEU A 81 4.460 -5.574 -11.099 1.00 0.00 C ATOM 1325 C LEU A 81 5.419 -6.757 -10.850 1.00 0.00 C ATOM 1326 O LEU A 81 6.632 -6.549 -10.742 1.00 0.00 O ATOM 1327 CB LEU A 81 4.484 -4.599 -9.883 1.00 0.00 C ATOM 1328 CG LEU A 81 3.702 -3.253 -10.039 1.00 0.00 C ATOM 1329 CD1 LEU A 81 3.855 -2.363 -8.775 1.00 0.00 C ATOM 1330 CD2 LEU A 81 4.124 -2.503 -11.325 1.00 0.00 C ATOM 0 H LEU A 81 2.449 -5.871 -10.572 1.00 0.00 H new ATOM 0 HA LEU A 81 4.807 -5.051 -11.990 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.082 -5.126 -9.018 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.524 -4.363 -9.658 1.00 0.00 H new ATOM 0 HG LEU A 81 2.643 -3.493 -10.139 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.300 -1.435 -8.914 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.463 -2.893 -7.907 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.909 -2.135 -8.616 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.563 -1.572 -11.404 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.190 -2.281 -11.284 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.917 -3.127 -12.195 1.00 0.00 H new ATOM 1342 N GLY A 82 4.860 -7.985 -10.750 1.00 0.00 N ATOM 1343 CA GLY A 82 5.644 -9.197 -10.501 1.00 0.00 C ATOM 1344 C GLY A 82 6.002 -9.369 -9.030 1.00 0.00 C ATOM 1345 O GLY A 82 6.788 -10.250 -8.680 1.00 0.00 O ATOM 0 H GLY A 82 3.858 -8.154 -10.840 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.080 -10.066 -10.838 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.559 -9.162 -11.092 1.00 0.00 H new ATOM 1349 N ILE A 83 5.415 -8.505 -8.182 1.00 0.00 N ATOM 1350 CA ILE A 83 5.538 -8.549 -6.727 1.00 0.00 C ATOM 1351 C ILE A 83 4.765 -9.779 -6.220 1.00 0.00 C ATOM 1352 O ILE A 83 3.529 -9.803 -6.282 1.00 0.00 O ATOM 1353 CB ILE A 83 4.944 -7.219 -6.111 1.00 0.00 C ATOM 1354 CG1 ILE A 83 5.726 -5.969 -6.616 1.00 0.00 C ATOM 1355 CG2 ILE A 83 4.900 -7.258 -4.574 1.00 0.00 C ATOM 1356 CD1 ILE A 83 5.187 -4.634 -6.121 1.00 0.00 C ATOM 0 H ILE A 83 4.827 -7.738 -8.507 1.00 0.00 H new ATOM 0 HA ILE A 83 6.583 -8.627 -6.426 1.00 0.00 H new ATOM 0 HB ILE A 83 3.914 -7.141 -6.458 1.00 0.00 H new ATOM 0 HG12 ILE A 83 6.767 -6.061 -6.308 1.00 0.00 H new ATOM 0 HG13 ILE A 83 5.715 -5.967 -7.706 1.00 0.00 H new ATOM 0 HG21 ILE A 83 4.485 -6.323 -4.198 1.00 0.00 H new ATOM 0 HG22 ILE A 83 4.275 -8.089 -4.249 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.909 -7.389 -4.184 1.00 0.00 H new ATOM 0 HD11 ILE A 83 5.795 -3.824 -6.524 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.155 -4.513 -6.452 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.224 -4.608 -5.032 1.00 0.00 H new ATOM 1368 N GLU A 84 5.502 -10.804 -5.759 1.00 0.00 N ATOM 1369 CA GLU A 84 4.927 -12.082 -5.301 1.00 0.00 C ATOM 1370 C GLU A 84 5.684 -12.606 -4.075 1.00 0.00 C ATOM 1371 O GLU A 84 6.807 -12.160 -3.786 1.00 0.00 O ATOM 1372 CB GLU A 84 4.942 -13.131 -6.445 1.00 0.00 C ATOM 1373 CG GLU A 84 6.339 -13.476 -7.000 1.00 0.00 C ATOM 1374 CD GLU A 84 6.301 -14.568 -8.082 1.00 0.00 C ATOM 1375 OE1 GLU A 84 6.029 -14.247 -9.260 1.00 0.00 O ATOM 1376 OE2 GLU A 84 6.526 -15.759 -7.757 1.00 0.00 O ATOM 0 H GLU A 84 6.519 -10.770 -5.693 1.00 0.00 H new ATOM 0 HA GLU A 84 3.890 -11.907 -5.013 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.476 -14.047 -6.083 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.324 -12.761 -7.264 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.792 -12.576 -7.416 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.978 -13.805 -6.181 1.00 0.00 H new ATOM 1383 N GLY A 85 5.033 -13.548 -3.371 1.00 0.00 N ATOM 1384 CA GLY A 85 5.592 -14.202 -2.192 1.00 0.00 C ATOM 1385 C GLY A 85 5.935 -13.223 -1.074 1.00 0.00 C ATOM 1386 O GLY A 85 5.058 -12.483 -0.604 1.00 0.00 O ATOM 0 H GLY A 85 4.097 -13.874 -3.612 1.00 0.00 H new ATOM 0 HA2 GLY A 85 4.879 -14.936 -1.818 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.491 -14.748 -2.478 1.00 0.00 H new ATOM 1390 N GLU A 86 7.228 -13.212 -0.694 1.00 0.00 N ATOM 1391 CA GLU A 86 7.787 -12.338 0.351 1.00 0.00 C ATOM 1392 C GLU A 86 7.582 -10.853 0.008 1.00 0.00 C ATOM 1393 O GLU A 86 7.187 -10.067 0.864 1.00 0.00 O ATOM 1394 CB GLU A 86 9.304 -12.636 0.532 1.00 0.00 C ATOM 1395 CG GLU A 86 9.992 -11.841 1.660 1.00 0.00 C ATOM 1396 CD GLU A 86 11.509 -12.073 1.710 1.00 0.00 C ATOM 1397 OE1 GLU A 86 11.942 -13.141 2.192 1.00 0.00 O ATOM 1398 OE2 GLU A 86 12.272 -11.195 1.258 1.00 0.00 O ATOM 0 H GLU A 86 7.926 -13.825 -1.116 1.00 0.00 H new ATOM 0 HA GLU A 86 7.260 -12.544 1.283 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.429 -13.701 0.729 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.816 -12.423 -0.407 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.796 -10.778 1.521 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.554 -12.124 2.617 1.00 0.00 H new ATOM 1405 N ASN A 87 7.759 -10.512 -1.282 1.00 0.00 N ATOM 1406 CA ASN A 87 7.840 -9.108 -1.750 1.00 0.00 C ATOM 1407 C ASN A 87 6.473 -8.389 -1.635 1.00 0.00 C ATOM 1408 O ASN A 87 6.417 -7.153 -1.605 1.00 0.00 O ATOM 1409 CB ASN A 87 8.365 -9.081 -3.222 1.00 0.00 C ATOM 1410 CG ASN A 87 8.597 -7.672 -3.803 1.00 0.00 C ATOM 1411 OD1 ASN A 87 8.906 -6.720 -3.083 1.00 0.00 O ATOM 1412 ND2 ASN A 87 8.467 -7.534 -5.111 1.00 0.00 N ATOM 0 H ASN A 87 7.850 -11.198 -2.031 1.00 0.00 H new ATOM 0 HA ASN A 87 8.538 -8.568 -1.110 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.302 -9.636 -3.268 1.00 0.00 H new ATOM 0 HB3 ASN A 87 7.651 -9.607 -3.856 1.00 0.00 H new ATOM 0 HD21 ASN A 87 8.623 -6.625 -5.546 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.210 -8.337 -5.686 1.00 0.00 H new ATOM 1419 N ARG A 88 5.370 -9.171 -1.548 1.00 0.00 N ATOM 1420 CA ARG A 88 4.018 -8.616 -1.341 1.00 0.00 C ATOM 1421 C ARG A 88 3.880 -8.010 0.055 1.00 0.00 C ATOM 1422 O ARG A 88 4.507 -8.473 1.012 1.00 0.00 O ATOM 1423 CB ARG A 88 2.932 -9.689 -1.584 1.00 0.00 C ATOM 1424 CG ARG A 88 2.784 -10.082 -3.057 1.00 0.00 C ATOM 1425 CD ARG A 88 1.608 -11.026 -3.326 1.00 0.00 C ATOM 1426 NE ARG A 88 1.527 -11.393 -4.753 1.00 0.00 N ATOM 1427 CZ ARG A 88 0.720 -12.322 -5.276 1.00 0.00 C ATOM 1428 NH1 ARG A 88 -0.125 -13.007 -4.504 1.00 0.00 N ATOM 1429 NH2 ARG A 88 0.763 -12.571 -6.575 1.00 0.00 N ATOM 0 H ARG A 88 5.394 -10.188 -1.619 1.00 0.00 H new ATOM 0 HA ARG A 88 3.872 -7.819 -2.070 1.00 0.00 H new ATOM 0 HB2 ARG A 88 3.173 -10.578 -1.001 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.975 -9.317 -1.217 1.00 0.00 H new ATOM 0 HG2 ARG A 88 2.658 -9.179 -3.654 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.705 -10.559 -3.391 1.00 0.00 H new ATOM 0 HD2 ARG A 88 1.718 -11.927 -2.723 1.00 0.00 H new ATOM 0 HD3 ARG A 88 0.678 -10.548 -3.018 1.00 0.00 H new ATOM 0 HE ARG A 88 2.141 -10.894 -5.397 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -0.161 -12.825 -3.501 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -0.735 -13.713 -4.917 1.00 0.00 H new ATOM 0 HH21 ARG A 88 1.410 -12.055 -7.172 1.00 0.00 H new ATOM 0 HH22 ARG A 88 0.150 -13.279 -6.979 1.00 0.00 H new ATOM 1443 N VAL A 89 3.052 -6.967 0.144 1.00 0.00 N ATOM 1444 CA VAL A 89 2.883 -6.165 1.357 1.00 0.00 C ATOM 1445 C VAL A 89 1.526 -6.502 2.022 1.00 0.00 C ATOM 1446 O VAL A 89 0.473 -6.297 1.399 1.00 0.00 O ATOM 1447 CB VAL A 89 2.962 -4.633 1.009 1.00 0.00 C ATOM 1448 CG1 VAL A 89 2.824 -3.777 2.279 1.00 0.00 C ATOM 1449 CG2 VAL A 89 4.274 -4.308 0.251 1.00 0.00 C ATOM 0 H VAL A 89 2.473 -6.652 -0.634 1.00 0.00 H new ATOM 0 HA VAL A 89 3.685 -6.400 2.057 1.00 0.00 H new ATOM 0 HB VAL A 89 2.128 -4.388 0.351 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.882 -2.721 2.014 1.00 0.00 H new ATOM 0 HG12 VAL A 89 1.863 -3.981 2.752 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.629 -4.022 2.972 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.307 -3.243 0.021 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.129 -4.571 0.874 1.00 0.00 H new ATOM 0 HG23 VAL A 89 4.310 -4.881 -0.676 1.00 0.00 H new ATOM 1459 N PRO A 90 1.529 -7.038 3.286 1.00 0.00 N ATOM 1460 CA PRO A 90 0.287 -7.417 4.014 1.00 0.00 C ATOM 1461 C PRO A 90 -0.554 -6.188 4.427 1.00 0.00 C ATOM 1462 O PRO A 90 -0.012 -5.103 4.666 1.00 0.00 O ATOM 1463 CB PRO A 90 0.824 -8.183 5.252 1.00 0.00 C ATOM 1464 CG PRO A 90 2.193 -7.623 5.480 1.00 0.00 C ATOM 1465 CD PRO A 90 2.742 -7.320 4.107 1.00 0.00 C ATOM 0 HA PRO A 90 -0.391 -8.010 3.400 1.00 0.00 H new ATOM 0 HB2 PRO A 90 0.184 -8.030 6.121 1.00 0.00 H new ATOM 0 HB3 PRO A 90 0.861 -9.257 5.068 1.00 0.00 H new ATOM 0 HG2 PRO A 90 2.151 -6.723 6.093 1.00 0.00 H new ATOM 0 HG3 PRO A 90 2.826 -8.337 6.006 1.00 0.00 H new ATOM 0 HD2 PRO A 90 3.418 -6.465 4.127 1.00 0.00 H new ATOM 0 HD3 PRO A 90 3.307 -8.163 3.708 1.00 0.00 H new ATOM 1473 N VAL A 91 -1.875 -6.381 4.511 1.00 0.00 N ATOM 1474 CA VAL A 91 -2.837 -5.312 4.816 1.00 0.00 C ATOM 1475 C VAL A 91 -3.466 -5.584 6.191 1.00 0.00 C ATOM 1476 O VAL A 91 -4.155 -6.591 6.374 1.00 0.00 O ATOM 1477 CB VAL A 91 -3.952 -5.236 3.716 1.00 0.00 C ATOM 1478 CG1 VAL A 91 -4.875 -4.034 3.949 1.00 0.00 C ATOM 1479 CG2 VAL A 91 -3.334 -5.193 2.305 1.00 0.00 C ATOM 0 H VAL A 91 -2.312 -7.291 4.368 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.316 -4.355 4.832 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.556 -6.140 3.790 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.639 -4.006 3.172 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.353 -4.126 4.924 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.290 -3.115 3.917 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.129 -5.141 1.561 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.694 -4.315 2.215 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.741 -6.093 2.140 1.00 0.00 H new ATOM 1489 N VAL A 92 -3.224 -4.665 7.137 1.00 0.00 N ATOM 1490 CA VAL A 92 -3.576 -4.820 8.554 1.00 0.00 C ATOM 1491 C VAL A 92 -4.581 -3.719 8.932 1.00 0.00 C ATOM 1492 O VAL A 92 -4.237 -2.544 8.881 1.00 0.00 O ATOM 1493 CB VAL A 92 -2.284 -4.704 9.455 1.00 0.00 C ATOM 1494 CG1 VAL A 92 -2.607 -4.943 10.954 1.00 0.00 C ATOM 1495 CG2 VAL A 92 -1.172 -5.654 8.943 1.00 0.00 C ATOM 0 H VAL A 92 -2.769 -3.775 6.933 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.020 -5.802 8.717 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.909 -3.683 9.376 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.693 -4.855 11.542 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.330 -4.201 11.293 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.025 -5.941 11.081 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -0.291 -5.558 9.578 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.530 -6.683 8.972 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.911 -5.390 7.918 1.00 0.00 H new ATOM 1505 N TYR A 93 -5.815 -4.103 9.293 1.00 0.00 N ATOM 1506 CA TYR A 93 -6.890 -3.151 9.632 1.00 0.00 C ATOM 1507 C TYR A 93 -6.953 -2.914 11.142 1.00 0.00 C ATOM 1508 O TYR A 93 -7.247 -3.832 11.911 1.00 0.00 O ATOM 1509 CB TYR A 93 -8.251 -3.672 9.105 1.00 0.00 C ATOM 1510 CG TYR A 93 -8.333 -3.648 7.576 1.00 0.00 C ATOM 1511 CD1 TYR A 93 -8.771 -2.508 6.904 1.00 0.00 C ATOM 1512 CD2 TYR A 93 -7.917 -4.738 6.807 1.00 0.00 C ATOM 1513 CE1 TYR A 93 -8.789 -2.455 5.531 1.00 0.00 C ATOM 1514 CE2 TYR A 93 -7.948 -4.685 5.430 1.00 0.00 C ATOM 1515 CZ TYR A 93 -8.379 -3.539 4.797 1.00 0.00 C ATOM 1516 OH TYR A 93 -8.375 -3.471 3.418 1.00 0.00 O ATOM 0 H TYR A 93 -6.098 -5.081 9.359 1.00 0.00 H new ATOM 0 HA TYR A 93 -6.670 -2.198 9.151 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.408 -4.691 9.459 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -9.055 -3.063 9.519 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -9.102 -1.651 7.472 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.567 -5.634 7.298 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -9.126 -1.560 5.030 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -7.635 -5.540 4.848 1.00 0.00 H new ATOM 0 HH TYR A 93 -8.056 -4.321 3.049 1.00 0.00 H new ATOM 1526 N ILE A 94 -6.675 -1.669 11.552 1.00 0.00 N ATOM 1527 CA ILE A 94 -6.784 -1.223 12.949 1.00 0.00 C ATOM 1528 C ILE A 94 -7.983 -0.256 13.026 1.00 0.00 C ATOM 1529 O ILE A 94 -8.251 0.471 12.071 1.00 0.00 O ATOM 1530 CB ILE A 94 -5.475 -0.490 13.480 1.00 0.00 C ATOM 1531 CG1 ILE A 94 -4.155 -1.286 13.149 1.00 0.00 C ATOM 1532 CG2 ILE A 94 -5.585 -0.219 15.014 1.00 0.00 C ATOM 1533 CD1 ILE A 94 -3.625 -1.109 11.727 1.00 0.00 C ATOM 0 H ILE A 94 -6.364 -0.934 10.916 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.917 -2.100 13.582 1.00 0.00 H new ATOM 0 HB ILE A 94 -5.408 0.462 12.953 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.379 -0.977 13.849 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -4.337 -2.347 13.322 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.682 0.283 15.361 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.450 0.415 15.210 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.700 -1.165 15.543 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.716 -1.697 11.602 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.377 -1.447 11.014 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.404 -0.057 11.549 1.00 0.00 H new ATOM 1545 N ALA A 95 -8.692 -0.258 14.158 1.00 0.00 N ATOM 1546 CA ALA A 95 -9.799 0.683 14.439 1.00 0.00 C ATOM 1547 C ALA A 95 -9.294 1.971 15.110 1.00 0.00 C ATOM 1548 O ALA A 95 -10.090 2.730 15.694 1.00 0.00 O ATOM 1549 CB ALA A 95 -10.818 -0.007 15.342 1.00 0.00 C ATOM 0 H ALA A 95 -8.518 -0.916 14.918 1.00 0.00 H new ATOM 0 HA ALA A 95 -10.261 0.966 13.493 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -11.638 0.678 15.555 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -11.207 -0.893 14.841 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -10.338 -0.299 16.276 1.00 0.00 H new ATOM 1555 N GLU A 96 -7.978 2.220 14.969 1.00 0.00 N ATOM 1556 CA GLU A 96 -7.230 3.220 15.733 1.00 0.00 C ATOM 1557 C GLU A 96 -7.416 2.978 17.254 1.00 0.00 C ATOM 1558 O GLU A 96 -6.669 2.219 17.870 1.00 0.00 O ATOM 1559 CB GLU A 96 -7.617 4.668 15.289 1.00 0.00 C ATOM 1560 CG GLU A 96 -6.894 5.788 16.056 1.00 0.00 C ATOM 1561 CD GLU A 96 -5.377 5.788 15.839 1.00 0.00 C ATOM 1562 OE1 GLU A 96 -4.641 5.114 16.597 1.00 0.00 O ATOM 1563 OE2 GLU A 96 -4.909 6.483 14.918 1.00 0.00 O ATOM 0 H GLU A 96 -7.396 1.714 14.301 1.00 0.00 H new ATOM 0 HA GLU A 96 -6.166 3.114 15.522 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -7.403 4.777 14.226 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -8.692 4.797 15.413 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -7.299 6.751 15.746 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.102 5.683 17.121 1.00 0.00 H new ATOM 1570 N SER A 97 -8.468 3.597 17.791 1.00 0.00 N ATOM 1571 CA SER A 97 -8.888 3.536 19.199 1.00 0.00 C ATOM 1572 C SER A 97 -10.229 4.305 19.323 1.00 0.00 C ATOM 1573 O SER A 97 -10.739 4.553 20.417 1.00 0.00 O ATOM 1574 CB SER A 97 -7.793 4.164 20.099 1.00 0.00 C ATOM 1575 OG SER A 97 -8.085 4.019 21.474 1.00 0.00 O ATOM 0 H SER A 97 -9.084 4.186 17.230 1.00 0.00 H new ATOM 0 HA SER A 97 -9.027 2.505 19.524 1.00 0.00 H new ATOM 0 HB2 SER A 97 -6.833 3.695 19.882 1.00 0.00 H new ATOM 0 HB3 SER A 97 -7.692 5.223 19.860 1.00 0.00 H new ATOM 0 HG SER A 97 -9.041 4.173 21.623 1.00 0.00 H new ATOM 1581 N ASP A 98 -10.806 4.630 18.148 1.00 0.00 N ATOM 1582 CA ASP A 98 -11.919 5.571 17.990 1.00 0.00 C ATOM 1583 C ASP A 98 -13.263 4.813 17.939 1.00 0.00 C ATOM 1584 O ASP A 98 -14.324 5.405 18.167 1.00 0.00 O ATOM 1585 CB ASP A 98 -11.676 6.389 16.692 1.00 0.00 C ATOM 1586 CG ASP A 98 -12.772 7.422 16.398 1.00 0.00 C ATOM 1587 OD1 ASP A 98 -12.745 8.517 16.987 1.00 0.00 O ATOM 1588 OD2 ASP A 98 -13.661 7.151 15.577 1.00 0.00 O ATOM 0 H ASP A 98 -10.497 4.230 17.262 1.00 0.00 H new ATOM 0 HA ASP A 98 -11.969 6.250 18.842 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -10.718 6.902 16.771 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -11.601 5.702 15.849 1.00 0.00 H new ATOM 1593 N GLY A 99 -13.202 3.502 17.656 1.00 0.00 N ATOM 1594 CA GLY A 99 -14.401 2.684 17.530 1.00 0.00 C ATOM 1595 C GLY A 99 -14.073 1.195 17.512 1.00 0.00 C ATOM 1596 O GLY A 99 -14.010 0.570 18.588 1.00 0.00 O ATOM 1597 OXT GLY A 99 -13.877 0.632 16.420 1.00 0.00 O ATOM 0 H GLY A 99 -12.330 2.993 17.511 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -15.075 2.897 18.360 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -14.928 2.951 16.614 1.00 0.00 H new TER 1601 GLY A 99