USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 690 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 40 THR OG1 : rot -104:sc= 0.0108 USER MOD Set 1.2: A 42 SER OG : rot 180:sc= 0.00773 USER MOD Single : A 1 GLY N :NH3+ -106:sc= 0.0717 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0459 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= -0.837 USER MOD Single : A 15 LYS NZ :NH3+ -144:sc= 0.128 (180deg=-0.0194) USER MOD Single : A 17 GLN : amide:sc= -1.34 X(o=-1.3,f=-1.3) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -1.38 K(o=-1.4,f=-2.1!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -1.75 K(o=-1.7,f=-2.6) USER MOD Single : A 71 GLN : amide:sc= -0.0121 X(o=-0.012,f=-0.19) USER MOD Single : A 72 CYS SG : rot 80:sc= -1.89 USER MOD Single : A 76 CYS SG : rot 57:sc= -1.1 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.822 -7.415 -4.627 1.00 0.00 N ATOM 2 CA GLY A 1 24.389 -7.067 -4.419 1.00 0.00 C ATOM 3 C GLY A 1 24.146 -6.385 -3.087 1.00 0.00 C ATOM 4 O GLY A 1 25.008 -6.397 -2.209 1.00 0.00 O ATOM 0 H1 GLY A 1 26.241 -6.762 -5.320 1.00 0.00 H new ATOM 0 H2 GLY A 1 26.333 -7.336 -3.725 1.00 0.00 H new ATOM 0 H3 GLY A 1 25.895 -8.390 -4.982 1.00 0.00 H new ATOM 0 HA2 GLY A 1 24.056 -6.413 -5.225 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.786 -7.973 -4.475 1.00 0.00 H new ATOM 10 N SER A 2 22.967 -5.789 -2.936 1.00 0.00 N ATOM 11 CA SER A 2 22.612 -5.098 -1.702 1.00 0.00 C ATOM 12 C SER A 2 21.860 -6.028 -0.756 1.00 0.00 C ATOM 13 O SER A 2 21.219 -6.986 -1.190 1.00 0.00 O ATOM 14 CB SER A 2 21.760 -3.866 -2.010 1.00 0.00 C ATOM 15 OG SER A 2 22.247 -3.180 -3.150 1.00 0.00 O ATOM 0 H SER A 2 22.242 -5.771 -3.653 1.00 0.00 H new ATOM 0 HA SER A 2 23.533 -4.780 -1.214 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.726 -4.168 -2.178 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.761 -3.196 -1.151 1.00 0.00 H new ATOM 0 HG SER A 2 21.684 -2.398 -3.326 1.00 0.00 H new ATOM 21 N SER A 3 21.942 -5.739 0.539 1.00 0.00 N ATOM 22 CA SER A 3 21.268 -6.549 1.547 1.00 0.00 C ATOM 23 C SER A 3 19.870 -6.012 1.831 1.00 0.00 C ATOM 24 O SER A 3 18.900 -6.768 1.878 1.00 0.00 O ATOM 25 CB SER A 3 22.088 -6.580 2.838 1.00 0.00 C ATOM 26 OG SER A 3 22.212 -5.282 3.394 1.00 0.00 O ATOM 0 H SER A 3 22.468 -4.950 0.915 1.00 0.00 H new ATOM 0 HA SER A 3 21.175 -7.564 1.159 1.00 0.00 H new ATOM 0 HB2 SER A 3 21.612 -7.244 3.559 1.00 0.00 H new ATOM 0 HB3 SER A 3 23.078 -6.988 2.634 1.00 0.00 H new ATOM 0 HG SER A 3 22.739 -5.329 4.219 1.00 0.00 H new ATOM 32 N GLY A 4 19.773 -4.700 2.022 1.00 0.00 N ATOM 33 CA GLY A 4 18.489 -4.082 2.299 1.00 0.00 C ATOM 34 C GLY A 4 18.224 -3.939 3.785 1.00 0.00 C ATOM 35 O GLY A 4 18.262 -4.921 4.527 1.00 0.00 O ATOM 0 H GLY A 4 20.561 -4.053 1.990 1.00 0.00 H new ATOM 0 HA2 GLY A 4 18.454 -3.099 1.830 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.697 -4.679 1.847 1.00 0.00 H new ATOM 39 N SER A 5 17.955 -2.712 4.221 1.00 0.00 N ATOM 40 CA SER A 5 17.682 -2.443 5.627 1.00 0.00 C ATOM 41 C SER A 5 16.298 -1.825 5.803 1.00 0.00 C ATOM 42 O SER A 5 16.165 -0.693 6.268 1.00 0.00 O ATOM 43 CB SER A 5 18.750 -1.512 6.207 1.00 0.00 C ATOM 44 OG SER A 5 19.157 -0.546 5.254 1.00 0.00 O ATOM 0 H SER A 5 17.920 -1.889 3.620 1.00 0.00 H new ATOM 0 HA SER A 5 17.707 -3.391 6.165 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.358 -1.011 7.092 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.612 -2.097 6.527 1.00 0.00 H new ATOM 0 HG SER A 5 19.838 0.037 5.650 1.00 0.00 H new ATOM 50 N SER A 6 15.269 -2.579 5.429 1.00 0.00 N ATOM 51 CA SER A 6 13.895 -2.107 5.545 1.00 0.00 C ATOM 52 C SER A 6 13.682 -0.838 4.724 1.00 0.00 C ATOM 53 O SER A 6 14.589 -0.377 4.031 1.00 0.00 O ATOM 54 CB SER A 6 13.547 -1.843 7.011 1.00 0.00 C ATOM 55 OG SER A 6 13.934 -2.932 7.831 1.00 0.00 O ATOM 0 H SER A 6 15.361 -3.519 5.043 1.00 0.00 H new ATOM 0 HA SER A 6 13.237 -2.884 5.156 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.046 -0.934 7.348 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.475 -1.673 7.109 1.00 0.00 H new ATOM 0 HG SER A 6 13.702 -2.738 8.763 1.00 0.00 H new ATOM 61 N GLY A 7 12.479 -0.279 4.808 1.00 0.00 N ATOM 62 CA GLY A 7 12.170 0.929 4.069 1.00 0.00 C ATOM 63 C GLY A 7 10.957 1.652 4.619 1.00 0.00 C ATOM 64 O GLY A 7 11.090 2.614 5.376 1.00 0.00 O ATOM 0 H GLY A 7 11.713 -0.642 5.375 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.030 1.598 4.096 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.995 0.676 3.023 1.00 0.00 H new ATOM 68 N ILE A 8 9.771 1.190 4.237 1.00 0.00 N ATOM 69 CA ILE A 8 8.529 1.797 4.698 1.00 0.00 C ATOM 70 C ILE A 8 7.600 0.754 5.309 1.00 0.00 C ATOM 71 O ILE A 8 7.621 -0.413 4.919 1.00 0.00 O ATOM 72 CB ILE A 8 7.793 2.514 3.548 1.00 0.00 C ATOM 73 CG1 ILE A 8 8.753 3.434 2.793 1.00 0.00 C ATOM 74 CG2 ILE A 8 6.609 3.303 4.088 1.00 0.00 C ATOM 75 CD1 ILE A 8 8.263 3.816 1.414 1.00 0.00 C ATOM 0 H ILE A 8 9.644 0.396 3.609 1.00 0.00 H new ATOM 0 HA ILE A 8 8.799 2.529 5.459 1.00 0.00 H new ATOM 0 HB ILE A 8 7.418 1.763 2.853 1.00 0.00 H new ATOM 0 HG12 ILE A 8 8.911 4.340 3.378 1.00 0.00 H new ATOM 0 HG13 ILE A 8 9.721 2.941 2.702 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.099 3.804 3.265 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.916 2.624 4.585 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.963 4.047 4.802 1.00 0.00 H new ATOM 0 HD11 ILE A 8 8.993 4.469 0.936 1.00 0.00 H new ATOM 0 HD12 ILE A 8 8.132 2.917 0.812 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.310 4.338 1.498 1.00 0.00 H new ATOM 87 N ASP A 9 6.786 1.182 6.268 1.00 0.00 N ATOM 88 CA ASP A 9 5.850 0.283 6.933 1.00 0.00 C ATOM 89 C ASP A 9 4.700 1.063 7.562 1.00 0.00 C ATOM 90 O ASP A 9 4.614 2.284 7.421 1.00 0.00 O ATOM 91 CB ASP A 9 6.573 -0.536 8.004 1.00 0.00 C ATOM 92 CG ASP A 9 7.343 0.335 8.977 1.00 0.00 C ATOM 93 OD1 ASP A 9 8.468 0.753 8.636 1.00 0.00 O ATOM 94 OD2 ASP A 9 6.820 0.597 10.081 1.00 0.00 O ATOM 0 H ASP A 9 6.755 2.145 6.602 1.00 0.00 H new ATOM 0 HA ASP A 9 5.439 -0.393 6.184 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.845 -1.134 8.553 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.259 -1.233 7.523 1.00 0.00 H new ATOM 99 N VAL A 10 3.818 0.352 8.257 1.00 0.00 N ATOM 100 CA VAL A 10 2.673 0.977 8.907 1.00 0.00 C ATOM 101 C VAL A 10 3.120 2.034 9.912 1.00 0.00 C ATOM 102 O VAL A 10 4.087 1.835 10.649 1.00 0.00 O ATOM 103 CB VAL A 10 1.798 -0.067 9.629 1.00 0.00 C ATOM 104 CG1 VAL A 10 0.545 0.583 10.195 1.00 0.00 C ATOM 105 CG2 VAL A 10 1.437 -1.205 8.687 1.00 0.00 C ATOM 0 H VAL A 10 3.875 -0.658 8.384 1.00 0.00 H new ATOM 0 HA VAL A 10 2.084 1.453 8.123 1.00 0.00 H new ATOM 0 HB VAL A 10 2.371 -0.480 10.459 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.059 -0.170 10.701 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.827 1.359 10.906 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.033 1.027 9.384 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.819 -1.932 9.214 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.885 -0.810 7.834 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.348 -1.690 8.336 1.00 0.00 H new ATOM 115 N GLY A 11 2.411 3.156 9.936 1.00 0.00 N ATOM 116 CA GLY A 11 2.748 4.228 10.855 1.00 0.00 C ATOM 117 C GLY A 11 4.020 4.953 10.460 1.00 0.00 C ATOM 118 O GLY A 11 4.894 5.185 11.297 1.00 0.00 O ATOM 0 H GLY A 11 1.608 3.343 9.335 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.924 4.941 10.894 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.863 3.819 11.859 1.00 0.00 H new ATOM 122 N CYS A 12 4.125 5.311 9.185 1.00 0.00 N ATOM 123 CA CYS A 12 5.301 6.014 8.685 1.00 0.00 C ATOM 124 C CYS A 12 4.923 6.977 7.560 1.00 0.00 C ATOM 125 O CYS A 12 4.143 6.629 6.673 1.00 0.00 O ATOM 126 CB CYS A 12 6.344 5.013 8.185 1.00 0.00 C ATOM 127 SG CYS A 12 8.053 5.496 8.526 1.00 0.00 S ATOM 0 H CYS A 12 3.411 5.126 8.480 1.00 0.00 H new ATOM 0 HA CYS A 12 5.725 6.592 9.506 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.153 4.044 8.646 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.222 4.884 7.110 1.00 0.00 H new ATOM 0 HG CYS A 12 8.861 4.586 8.068 1.00 0.00 H new ATOM 133 N PRO A 13 5.473 8.205 7.579 1.00 0.00 N ATOM 134 CA PRO A 13 5.186 9.212 6.555 1.00 0.00 C ATOM 135 C PRO A 13 5.920 8.933 5.247 1.00 0.00 C ATOM 136 O PRO A 13 7.129 8.702 5.240 1.00 0.00 O ATOM 137 CB PRO A 13 5.695 10.505 7.188 1.00 0.00 C ATOM 138 CG PRO A 13 6.802 10.071 8.086 1.00 0.00 C ATOM 139 CD PRO A 13 6.416 8.709 8.599 1.00 0.00 C ATOM 0 HA PRO A 13 4.130 9.237 6.287 1.00 0.00 H new ATOM 0 HB2 PRO A 13 6.049 11.205 6.431 1.00 0.00 H new ATOM 0 HB3 PRO A 13 4.907 11.011 7.746 1.00 0.00 H new ATOM 0 HG2 PRO A 13 7.748 10.030 7.546 1.00 0.00 H new ATOM 0 HG3 PRO A 13 6.934 10.774 8.909 1.00 0.00 H new ATOM 0 HD2 PRO A 13 7.284 8.058 8.698 1.00 0.00 H new ATOM 0 HD3 PRO A 13 5.948 8.769 9.582 1.00 0.00 H new ATOM 147 N VAL A 14 5.181 8.959 4.143 1.00 0.00 N ATOM 148 CA VAL A 14 5.764 8.710 2.829 1.00 0.00 C ATOM 149 C VAL A 14 4.987 9.435 1.736 1.00 0.00 C ATOM 150 O VAL A 14 3.757 9.469 1.752 1.00 0.00 O ATOM 151 CB VAL A 14 5.797 7.204 2.506 1.00 0.00 C ATOM 152 CG1 VAL A 14 6.874 6.505 3.319 1.00 0.00 C ATOM 153 CG2 VAL A 14 4.435 6.574 2.757 1.00 0.00 C ATOM 0 H VAL A 14 4.179 9.150 4.131 1.00 0.00 H new ATOM 0 HA VAL A 14 6.785 9.091 2.859 1.00 0.00 H new ATOM 0 HB VAL A 14 6.038 7.084 1.450 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.881 5.442 3.076 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.846 6.937 3.083 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.668 6.633 4.382 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.478 5.510 2.523 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.161 6.705 3.804 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.689 7.055 2.124 1.00 0.00 H new ATOM 163 N LYS A 15 5.714 10.013 0.786 1.00 0.00 N ATOM 164 CA LYS A 15 5.096 10.739 -0.317 1.00 0.00 C ATOM 165 C LYS A 15 4.639 9.779 -1.411 1.00 0.00 C ATOM 166 O LYS A 15 5.369 8.864 -1.793 1.00 0.00 O ATOM 167 CB LYS A 15 6.075 11.761 -0.895 1.00 0.00 C ATOM 168 CG LYS A 15 6.761 12.612 0.162 1.00 0.00 C ATOM 169 CD LYS A 15 8.120 13.103 -0.313 1.00 0.00 C ATOM 170 CE LYS A 15 8.059 14.546 -0.787 1.00 0.00 C ATOM 171 NZ LYS A 15 8.145 14.648 -2.270 1.00 0.00 N ATOM 0 H LYS A 15 6.733 9.993 0.758 1.00 0.00 H new ATOM 0 HA LYS A 15 4.222 11.263 0.070 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.834 11.237 -1.476 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.540 12.414 -1.585 1.00 0.00 H new ATOM 0 HG2 LYS A 15 6.130 13.466 0.409 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.882 12.031 1.076 1.00 0.00 H new ATOM 0 HD2 LYS A 15 8.843 13.016 0.498 1.00 0.00 H new ATOM 0 HD3 LYS A 15 8.474 12.467 -1.125 1.00 0.00 H new ATOM 0 HE2 LYS A 15 7.129 15.001 -0.445 1.00 0.00 H new ATOM 0 HE3 LYS A 15 8.875 15.111 -0.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 8.686 15.497 -2.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 8.622 13.805 -2.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 7.187 14.713 -2.670 1.00 0.00 H new ATOM 185 N VAL A 16 3.427 9.995 -1.911 1.00 0.00 N ATOM 186 CA VAL A 16 2.872 9.150 -2.962 1.00 0.00 C ATOM 187 C VAL A 16 2.625 9.949 -4.237 1.00 0.00 C ATOM 188 O VAL A 16 2.175 11.093 -4.186 1.00 0.00 O ATOM 189 CB VAL A 16 1.550 8.495 -2.517 1.00 0.00 C ATOM 190 CG1 VAL A 16 1.092 7.466 -3.540 1.00 0.00 C ATOM 191 CG2 VAL A 16 1.705 7.861 -1.143 1.00 0.00 C ATOM 0 H VAL A 16 2.810 10.748 -1.605 1.00 0.00 H new ATOM 0 HA VAL A 16 3.607 8.370 -3.161 1.00 0.00 H new ATOM 0 HB VAL A 16 0.786 9.270 -2.450 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.157 7.014 -3.208 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.938 7.954 -4.503 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.852 6.692 -3.643 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.762 7.403 -0.845 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.483 7.098 -1.180 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.982 8.627 -0.418 1.00 0.00 H new ATOM 201 N GLN A 17 2.925 9.339 -5.379 1.00 0.00 N ATOM 202 CA GLN A 17 2.736 9.995 -6.668 1.00 0.00 C ATOM 203 C GLN A 17 1.489 9.468 -7.370 1.00 0.00 C ATOM 204 O GLN A 17 1.411 8.290 -7.716 1.00 0.00 O ATOM 205 CB GLN A 17 3.964 9.783 -7.555 1.00 0.00 C ATOM 206 CG GLN A 17 4.126 10.844 -8.632 1.00 0.00 C ATOM 207 CD GLN A 17 5.544 10.927 -9.161 1.00 0.00 C ATOM 208 OE1 GLN A 17 6.017 10.020 -9.845 1.00 0.00 O ATOM 209 NE2 GLN A 17 6.232 12.018 -8.844 1.00 0.00 N ATOM 0 H GLN A 17 3.300 8.392 -5.438 1.00 0.00 H new ATOM 0 HA GLN A 17 2.605 11.062 -6.489 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.857 9.773 -6.929 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.895 8.804 -8.029 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.447 10.626 -9.456 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.836 11.814 -8.228 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.800 12.746 -8.274 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.192 12.128 -9.170 1.00 0.00 H new ATOM 218 N LEU A 18 0.515 10.350 -7.574 1.00 0.00 N ATOM 219 CA LEU A 18 -0.730 9.973 -8.236 1.00 0.00 C ATOM 220 C LEU A 18 -0.624 10.162 -9.745 1.00 0.00 C ATOM 221 O LEU A 18 -1.040 9.299 -10.518 1.00 0.00 O ATOM 222 CB LEU A 18 -1.893 10.802 -7.687 1.00 0.00 C ATOM 223 CG LEU A 18 -2.384 10.390 -6.298 1.00 0.00 C ATOM 224 CD1 LEU A 18 -3.471 11.337 -5.814 1.00 0.00 C ATOM 225 CD2 LEU A 18 -2.891 8.957 -6.317 1.00 0.00 C ATOM 0 H LEU A 18 0.563 11.329 -7.291 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.915 8.918 -8.033 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.589 11.848 -7.652 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.728 10.736 -8.385 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.546 10.448 -5.604 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.808 11.028 -4.824 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.074 12.351 -5.762 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.311 11.312 -6.508 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.236 8.680 -5.321 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.716 8.872 -7.024 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.084 8.290 -6.620 1.00 0.00 H new ATOM 237 N ARG A 19 -0.066 11.295 -10.158 1.00 0.00 N ATOM 238 CA ARG A 19 0.094 11.597 -11.576 1.00 0.00 C ATOM 239 C ARG A 19 1.392 11.006 -12.114 1.00 0.00 C ATOM 240 O ARG A 19 2.217 10.495 -11.356 1.00 0.00 O ATOM 241 CB ARG A 19 0.078 13.109 -11.801 1.00 0.00 C ATOM 242 CG ARG A 19 -0.589 13.523 -13.104 1.00 0.00 C ATOM 243 CD ARG A 19 -1.678 14.559 -12.871 1.00 0.00 C ATOM 244 NE ARG A 19 -2.268 15.025 -14.123 1.00 0.00 N ATOM 245 CZ ARG A 19 -3.446 15.640 -14.204 1.00 0.00 C ATOM 246 NH1 ARG A 19 -4.161 15.863 -13.109 1.00 0.00 N ATOM 247 NH2 ARG A 19 -3.910 16.032 -15.383 1.00 0.00 N ATOM 0 H ARG A 19 0.283 12.020 -9.531 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.740 11.147 -12.114 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.440 13.586 -10.969 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.103 13.480 -11.793 1.00 0.00 H new ATOM 0 HG2 ARG A 19 0.160 13.928 -13.784 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.018 12.646 -13.589 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.457 14.130 -12.241 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -1.261 15.408 -12.329 1.00 0.00 H new ATOM 0 HE ARG A 19 -1.747 14.870 -14.986 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -3.809 15.563 -12.200 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.063 16.335 -13.176 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.364 15.862 -16.228 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.813 16.503 -15.445 1.00 0.00 H new ATOM 261 N SER A 20 1.568 11.078 -13.430 1.00 0.00 N ATOM 262 CA SER A 20 2.766 10.550 -14.071 1.00 0.00 C ATOM 263 C SER A 20 3.952 11.487 -13.861 1.00 0.00 C ATOM 264 O SER A 20 4.347 12.218 -14.769 1.00 0.00 O ATOM 265 CB SER A 20 2.520 10.346 -15.568 1.00 0.00 C ATOM 266 OG SER A 20 3.687 9.875 -16.218 1.00 0.00 O ATOM 0 H SER A 20 0.896 11.497 -14.073 1.00 0.00 H new ATOM 0 HA SER A 20 3.000 9.589 -13.614 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.707 9.634 -15.712 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.203 11.287 -16.019 1.00 0.00 H new ATOM 0 HG SER A 20 3.503 9.752 -17.173 1.00 0.00 H new ATOM 272 N GLY A 21 4.514 11.459 -12.657 1.00 0.00 N ATOM 273 CA GLY A 21 5.649 12.309 -12.349 1.00 0.00 C ATOM 274 C GLY A 21 5.302 13.784 -12.406 1.00 0.00 C ATOM 275 O GLY A 21 5.758 14.502 -13.296 1.00 0.00 O ATOM 0 H GLY A 21 4.204 10.863 -11.889 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.022 12.065 -11.354 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.456 12.101 -13.052 1.00 0.00 H new ATOM 279 N GLU A 22 4.493 14.238 -11.453 1.00 0.00 N ATOM 280 CA GLU A 22 4.087 15.637 -11.399 1.00 0.00 C ATOM 281 C GLU A 22 4.225 16.189 -9.984 1.00 0.00 C ATOM 282 O GLU A 22 4.932 17.171 -9.756 1.00 0.00 O ATOM 283 CB GLU A 22 2.642 15.789 -11.879 1.00 0.00 C ATOM 284 CG GLU A 22 2.401 17.051 -12.691 1.00 0.00 C ATOM 285 CD GLU A 22 1.629 18.103 -11.920 1.00 0.00 C ATOM 286 OE1 GLU A 22 1.687 18.087 -10.672 1.00 0.00 O ATOM 287 OE2 GLU A 22 0.968 18.945 -12.563 1.00 0.00 O ATOM 0 H GLU A 22 4.107 13.657 -10.709 1.00 0.00 H new ATOM 0 HA GLU A 22 4.743 16.206 -12.057 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.375 14.922 -12.483 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.979 15.791 -11.014 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.359 17.466 -13.004 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.853 16.796 -13.598 1.00 0.00 H new ATOM 294 N GLU A 23 3.544 15.553 -9.035 1.00 0.00 N ATOM 295 CA GLU A 23 3.591 15.981 -7.643 1.00 0.00 C ATOM 296 C GLU A 23 3.250 14.824 -6.707 1.00 0.00 C ATOM 297 O GLU A 23 2.271 14.109 -6.918 1.00 0.00 O ATOM 298 CB GLU A 23 2.623 17.143 -7.412 1.00 0.00 C ATOM 299 CG GLU A 23 3.284 18.510 -7.488 1.00 0.00 C ATOM 300 CD GLU A 23 2.312 19.643 -7.219 1.00 0.00 C ATOM 301 OE1 GLU A 23 1.445 19.483 -6.334 1.00 0.00 O ATOM 302 OE2 GLU A 23 2.419 20.689 -7.892 1.00 0.00 O ATOM 0 H GLU A 23 2.953 14.739 -9.206 1.00 0.00 H new ATOM 0 HA GLU A 23 4.605 16.314 -7.425 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.825 17.093 -8.153 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.157 17.028 -6.433 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.099 18.556 -6.766 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.726 18.642 -8.476 1.00 0.00 H new ATOM 309 N LYS A 24 4.064 14.649 -5.671 1.00 0.00 N ATOM 310 CA LYS A 24 3.848 13.580 -4.702 1.00 0.00 C ATOM 311 C LYS A 24 3.236 14.127 -3.417 1.00 0.00 C ATOM 312 O LYS A 24 3.748 15.081 -2.831 1.00 0.00 O ATOM 313 CB LYS A 24 5.167 12.871 -4.390 1.00 0.00 C ATOM 314 CG LYS A 24 5.642 11.952 -5.505 1.00 0.00 C ATOM 315 CD LYS A 24 6.274 10.684 -4.951 1.00 0.00 C ATOM 316 CE LYS A 24 7.508 10.284 -5.744 1.00 0.00 C ATOM 317 NZ LYS A 24 7.839 8.843 -5.566 1.00 0.00 N ATOM 0 H LYS A 24 4.878 15.233 -5.481 1.00 0.00 H new ATOM 0 HA LYS A 24 3.153 12.863 -5.139 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.935 13.619 -4.195 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.050 12.289 -3.476 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.800 11.690 -6.146 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.365 12.478 -6.128 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.545 10.838 -3.907 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.546 9.873 -4.975 1.00 0.00 H new ATOM 0 HE2 LYS A 24 7.343 10.491 -6.801 1.00 0.00 H new ATOM 0 HE3 LYS A 24 8.355 10.893 -5.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.686 8.610 -6.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.022 8.650 -4.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.041 8.261 -5.891 1.00 0.00 H new ATOM 331 N PHE A 25 2.136 13.517 -2.984 1.00 0.00 N ATOM 332 CA PHE A 25 1.454 13.945 -1.768 1.00 0.00 C ATOM 333 C PHE A 25 1.946 13.148 -0.560 1.00 0.00 C ATOM 334 O PHE A 25 1.985 11.919 -0.596 1.00 0.00 O ATOM 335 CB PHE A 25 -0.058 13.774 -1.922 1.00 0.00 C ATOM 336 CG PHE A 25 -0.657 14.638 -2.995 1.00 0.00 C ATOM 337 CD1 PHE A 25 -0.501 16.015 -2.962 1.00 0.00 C ATOM 338 CD2 PHE A 25 -1.374 14.074 -4.037 1.00 0.00 C ATOM 339 CE1 PHE A 25 -1.051 16.812 -3.948 1.00 0.00 C ATOM 340 CE2 PHE A 25 -1.926 14.866 -5.026 1.00 0.00 C ATOM 341 CZ PHE A 25 -1.763 16.237 -4.981 1.00 0.00 C ATOM 0 H PHE A 25 1.699 12.726 -3.457 1.00 0.00 H new ATOM 0 HA PHE A 25 1.680 14.999 -1.604 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -0.276 12.730 -2.145 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.539 14.004 -0.972 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.057 16.470 -2.157 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -1.503 13.003 -4.077 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.924 17.884 -3.910 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -2.484 14.414 -5.833 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.192 16.858 -5.753 1.00 0.00 H new ATOM 351 N PRO A 26 2.330 13.838 0.530 1.00 0.00 N ATOM 352 CA PRO A 26 2.819 13.180 1.745 1.00 0.00 C ATOM 353 C PRO A 26 1.689 12.562 2.563 1.00 0.00 C ATOM 354 O PRO A 26 0.624 13.158 2.719 1.00 0.00 O ATOM 355 CB PRO A 26 3.476 14.322 2.516 1.00 0.00 C ATOM 356 CG PRO A 26 2.724 15.537 2.099 1.00 0.00 C ATOM 357 CD PRO A 26 2.319 15.309 0.666 1.00 0.00 C ATOM 0 HA PRO A 26 3.492 12.352 1.523 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.409 14.164 3.592 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.535 14.408 2.272 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.849 15.690 2.731 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.343 16.429 2.191 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.333 15.723 0.458 1.00 0.00 H new ATOM 0 HD3 PRO A 26 3.016 15.781 -0.027 1.00 0.00 H new ATOM 365 N GLY A 27 1.930 11.362 3.084 1.00 0.00 N ATOM 366 CA GLY A 27 0.925 10.684 3.880 1.00 0.00 C ATOM 367 C GLY A 27 1.523 9.649 4.813 1.00 0.00 C ATOM 368 O GLY A 27 2.572 9.075 4.523 1.00 0.00 O ATOM 0 H GLY A 27 2.804 10.848 2.968 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.373 11.419 4.465 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.208 10.200 3.218 1.00 0.00 H new ATOM 372 N VAL A 28 0.852 9.410 5.934 1.00 0.00 N ATOM 373 CA VAL A 28 1.322 8.438 6.914 1.00 0.00 C ATOM 374 C VAL A 28 0.713 7.062 6.656 1.00 0.00 C ATOM 375 O VAL A 28 -0.499 6.932 6.479 1.00 0.00 O ATOM 376 CB VAL A 28 0.985 8.880 8.352 1.00 0.00 C ATOM 377 CG1 VAL A 28 -0.521 8.983 8.545 1.00 0.00 C ATOM 378 CG2 VAL A 28 1.597 7.923 9.364 1.00 0.00 C ATOM 0 H VAL A 28 -0.019 9.876 6.187 1.00 0.00 H new ATOM 0 HA VAL A 28 2.405 8.378 6.808 1.00 0.00 H new ATOM 0 HB VAL A 28 1.415 9.868 8.516 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.736 9.296 9.567 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.928 9.715 7.848 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.979 8.011 8.359 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.348 8.252 10.373 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.202 6.920 9.202 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.680 7.910 9.244 1.00 0.00 H new ATOM 388 N VAL A 29 1.561 6.039 6.633 1.00 0.00 N ATOM 389 CA VAL A 29 1.106 4.675 6.396 1.00 0.00 C ATOM 390 C VAL A 29 0.199 4.196 7.525 1.00 0.00 C ATOM 391 O VAL A 29 0.446 4.482 8.696 1.00 0.00 O ATOM 392 CB VAL A 29 2.292 3.702 6.256 1.00 0.00 C ATOM 393 CG1 VAL A 29 1.806 2.325 5.827 1.00 0.00 C ATOM 394 CG2 VAL A 29 3.316 4.244 5.269 1.00 0.00 C ATOM 0 H VAL A 29 2.567 6.129 6.776 1.00 0.00 H new ATOM 0 HA VAL A 29 0.545 4.686 5.462 1.00 0.00 H new ATOM 0 HB VAL A 29 2.775 3.606 7.229 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.658 1.651 5.733 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.115 1.934 6.574 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.297 2.402 4.866 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.146 3.543 5.184 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.848 4.373 4.293 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.688 5.206 5.622 1.00 0.00 H new ATOM 404 N ARG A 30 -0.851 3.466 7.165 1.00 0.00 N ATOM 405 CA ARG A 30 -1.797 2.949 8.148 1.00 0.00 C ATOM 406 C ARG A 30 -1.894 1.428 8.068 1.00 0.00 C ATOM 407 O ARG A 30 -1.959 0.746 9.091 1.00 0.00 O ATOM 408 CB ARG A 30 -3.177 3.572 7.935 1.00 0.00 C ATOM 409 CG ARG A 30 -3.197 5.082 8.107 1.00 0.00 C ATOM 410 CD ARG A 30 -2.663 5.495 9.469 1.00 0.00 C ATOM 411 NE ARG A 30 -3.382 6.643 10.013 1.00 0.00 N ATOM 412 CZ ARG A 30 -2.916 7.412 10.994 1.00 0.00 C ATOM 413 NH1 ARG A 30 -1.733 7.158 11.541 1.00 0.00 N ATOM 414 NH2 ARG A 30 -3.634 8.438 11.432 1.00 0.00 N ATOM 0 H ARG A 30 -1.069 3.219 6.200 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.433 3.218 9.140 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -3.527 3.324 6.933 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.880 3.125 8.638 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.598 5.546 7.324 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.216 5.449 7.988 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.744 4.656 10.160 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.604 5.737 9.385 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.295 6.869 9.618 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.176 6.370 11.210 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.381 7.751 12.293 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -4.544 8.638 11.017 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -3.276 9.027 12.184 1.00 0.00 H new ATOM 428 N PHE A 31 -1.908 0.903 6.847 1.00 0.00 N ATOM 429 CA PHE A 31 -2.000 -0.537 6.636 1.00 0.00 C ATOM 430 C PHE A 31 -1.060 -0.986 5.522 1.00 0.00 C ATOM 431 O PHE A 31 -0.566 -0.168 4.746 1.00 0.00 O ATOM 432 CB PHE A 31 -3.439 -0.930 6.295 1.00 0.00 C ATOM 433 CG PHE A 31 -3.668 -2.415 6.271 1.00 0.00 C ATOM 434 CD1 PHE A 31 -3.827 -3.122 7.452 1.00 0.00 C ATOM 435 CD2 PHE A 31 -3.721 -3.102 5.069 1.00 0.00 C ATOM 436 CE1 PHE A 31 -4.037 -4.488 7.433 1.00 0.00 C ATOM 437 CE2 PHE A 31 -3.930 -4.467 5.045 1.00 0.00 C ATOM 438 CZ PHE A 31 -4.088 -5.162 6.228 1.00 0.00 C ATOM 0 H PHE A 31 -1.857 1.453 5.989 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.702 -1.035 7.559 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.112 -0.479 7.024 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.699 -0.515 5.321 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -3.786 -2.600 8.397 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.598 -2.564 4.141 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.161 -5.028 8.360 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.970 -4.991 4.101 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.251 -6.229 6.211 1.00 0.00 H new ATOM 448 N ARG A 32 -0.815 -2.291 5.451 1.00 0.00 N ATOM 449 CA ARG A 32 0.067 -2.849 4.433 1.00 0.00 C ATOM 450 C ARG A 32 -0.226 -4.330 4.213 1.00 0.00 C ATOM 451 O ARG A 32 -0.510 -5.063 5.160 1.00 0.00 O ATOM 452 CB ARG A 32 1.531 -2.659 4.834 1.00 0.00 C ATOM 453 CG ARG A 32 2.519 -3.199 3.813 1.00 0.00 C ATOM 454 CD ARG A 32 3.770 -3.743 4.482 1.00 0.00 C ATOM 455 NE ARG A 32 3.724 -5.196 4.631 1.00 0.00 N ATOM 456 CZ ARG A 32 4.797 -5.952 4.854 1.00 0.00 C ATOM 457 NH1 ARG A 32 5.999 -5.399 4.954 1.00 0.00 N ATOM 458 NH2 ARG A 32 4.666 -7.266 4.977 1.00 0.00 N ATOM 0 H ARG A 32 -1.215 -2.981 6.087 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.116 -2.318 3.499 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.722 -1.597 4.985 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.704 -3.153 5.790 1.00 0.00 H new ATOM 0 HG2 ARG A 32 2.045 -3.988 3.229 1.00 0.00 H new ATOM 0 HG3 ARG A 32 2.793 -2.407 3.116 1.00 0.00 H new ATOM 0 HD2 ARG A 32 4.645 -3.467 3.894 1.00 0.00 H new ATOM 0 HD3 ARG A 32 3.886 -3.282 5.463 1.00 0.00 H new ATOM 0 HE ARG A 32 2.817 -5.658 4.560 1.00 0.00 H new ATOM 0 HH11 ARG A 32 6.105 -4.389 4.860 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.817 -5.984 5.125 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.744 -7.696 4.901 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.487 -7.847 5.148 1.00 0.00 H new ATOM 472 N GLY A 33 -0.152 -4.763 2.959 1.00 0.00 N ATOM 473 CA GLY A 33 -0.410 -6.154 2.639 1.00 0.00 C ATOM 474 C GLY A 33 -1.030 -6.328 1.264 1.00 0.00 C ATOM 475 O GLY A 33 -1.758 -5.453 0.796 1.00 0.00 O ATOM 0 H GLY A 33 0.082 -4.175 2.159 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.524 -6.714 2.687 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.075 -6.579 3.391 1.00 0.00 H new ATOM 479 N PRO A 34 -0.757 -7.456 0.587 1.00 0.00 N ATOM 480 CA PRO A 34 -1.301 -7.728 -0.747 1.00 0.00 C ATOM 481 C PRO A 34 -2.798 -8.014 -0.715 1.00 0.00 C ATOM 482 O PRO A 34 -3.333 -8.462 0.298 1.00 0.00 O ATOM 483 CB PRO A 34 -0.530 -8.969 -1.200 1.00 0.00 C ATOM 484 CG PRO A 34 -0.135 -9.650 0.064 1.00 0.00 C ATOM 485 CD PRO A 34 0.101 -8.555 1.068 1.00 0.00 C ATOM 0 HA PRO A 34 -1.189 -6.873 -1.414 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.150 -9.616 -1.821 1.00 0.00 H new ATOM 0 HB3 PRO A 34 0.343 -8.698 -1.794 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -0.918 -10.328 0.403 1.00 0.00 H new ATOM 0 HG3 PRO A 34 0.765 -10.248 -0.080 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -0.174 -8.868 2.075 1.00 0.00 H new ATOM 0 HD3 PRO A 34 1.150 -8.260 1.101 1.00 0.00 H new ATOM 493 N LEU A 35 -3.471 -7.750 -1.832 1.00 0.00 N ATOM 494 CA LEU A 35 -4.907 -7.979 -1.930 1.00 0.00 C ATOM 495 C LEU A 35 -5.202 -9.431 -2.295 1.00 0.00 C ATOM 496 O LEU A 35 -5.849 -9.711 -3.305 1.00 0.00 O ATOM 497 CB LEU A 35 -5.523 -7.041 -2.971 1.00 0.00 C ATOM 498 CG LEU A 35 -5.870 -5.642 -2.457 1.00 0.00 C ATOM 499 CD1 LEU A 35 -5.881 -4.642 -3.602 1.00 0.00 C ATOM 500 CD2 LEU A 35 -7.214 -5.656 -1.744 1.00 0.00 C ATOM 0 H LEU A 35 -3.044 -7.378 -2.680 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.352 -7.772 -0.957 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.829 -6.943 -3.806 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.429 -7.503 -3.363 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.106 -5.336 -1.743 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.130 -3.652 -3.218 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.897 -4.613 -4.069 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.625 -4.942 -4.340 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.446 -4.653 -1.385 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.990 -5.982 -2.437 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.170 -6.343 -0.899 1.00 0.00 H new ATOM 512 N LEU A 36 -4.724 -10.353 -1.465 1.00 0.00 N ATOM 513 CA LEU A 36 -4.934 -11.776 -1.699 1.00 0.00 C ATOM 514 C LEU A 36 -4.336 -12.203 -3.036 1.00 0.00 C ATOM 515 O LEU A 36 -3.882 -11.369 -3.819 1.00 0.00 O ATOM 516 CB LEU A 36 -6.430 -12.103 -1.669 1.00 0.00 C ATOM 517 CG LEU A 36 -7.138 -11.771 -0.355 1.00 0.00 C ATOM 518 CD1 LEU A 36 -8.623 -12.078 -0.458 1.00 0.00 C ATOM 519 CD2 LEU A 36 -6.511 -12.541 0.797 1.00 0.00 C ATOM 0 H LEU A 36 -4.188 -10.139 -0.624 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.431 -12.327 -0.904 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.921 -11.560 -2.476 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.558 -13.166 -1.875 1.00 0.00 H new ATOM 0 HG LEU A 36 -7.021 -10.705 -0.160 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.111 -11.836 0.486 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.063 -11.482 -1.257 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.761 -13.137 -0.677 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.027 -12.293 1.724 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.597 -13.611 0.609 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.458 -12.272 0.884 1.00 0.00 H new ATOM 531 N ALA A 37 -4.338 -13.507 -3.290 1.00 0.00 N ATOM 532 CA ALA A 37 -3.796 -14.046 -4.531 1.00 0.00 C ATOM 533 C ALA A 37 -4.377 -15.423 -4.834 1.00 0.00 C ATOM 534 O ALA A 37 -4.939 -16.077 -3.954 1.00 0.00 O ATOM 535 CB ALA A 37 -2.278 -14.116 -4.457 1.00 0.00 C ATOM 0 H ALA A 37 -4.709 -14.211 -2.652 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.079 -13.376 -5.343 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.886 -14.520 -5.390 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.875 -13.116 -4.297 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.983 -14.762 -3.630 1.00 0.00 H new ATOM 541 N GLU A 38 -4.237 -15.856 -6.081 1.00 0.00 N ATOM 542 CA GLU A 38 -4.749 -17.156 -6.500 1.00 0.00 C ATOM 543 C GLU A 38 -3.683 -18.236 -6.344 1.00 0.00 C ATOM 544 O GLU A 38 -3.814 -19.135 -5.514 1.00 0.00 O ATOM 545 CB GLU A 38 -5.223 -17.098 -7.953 1.00 0.00 C ATOM 546 CG GLU A 38 -6.159 -15.934 -8.240 1.00 0.00 C ATOM 547 CD GLU A 38 -7.621 -16.313 -8.102 1.00 0.00 C ATOM 548 OE1 GLU A 38 -7.915 -17.284 -7.373 1.00 0.00 O ATOM 549 OE2 GLU A 38 -8.470 -15.638 -8.720 1.00 0.00 O ATOM 0 H GLU A 38 -3.774 -15.327 -6.820 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.594 -17.409 -5.860 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.354 -17.025 -8.608 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.730 -18.031 -8.199 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.934 -15.115 -7.557 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.977 -15.566 -9.250 1.00 0.00 H new ATOM 556 N ARG A 39 -2.628 -18.141 -7.147 1.00 0.00 N ATOM 557 CA ARG A 39 -1.540 -19.110 -7.098 1.00 0.00 C ATOM 558 C ARG A 39 -0.257 -18.466 -6.584 1.00 0.00 C ATOM 559 O ARG A 39 0.546 -19.111 -5.910 1.00 0.00 O ATOM 560 CB ARG A 39 -1.302 -19.712 -8.484 1.00 0.00 C ATOM 561 CG ARG A 39 -1.210 -18.674 -9.592 1.00 0.00 C ATOM 562 CD ARG A 39 -2.433 -18.711 -10.495 1.00 0.00 C ATOM 563 NE ARG A 39 -2.321 -17.768 -11.606 1.00 0.00 N ATOM 564 CZ ARG A 39 -1.490 -17.929 -12.634 1.00 0.00 C ATOM 565 NH1 ARG A 39 -0.698 -18.993 -12.696 1.00 0.00 N ATOM 566 NH2 ARG A 39 -1.451 -17.025 -13.602 1.00 0.00 N ATOM 0 H ARG A 39 -2.504 -17.402 -7.839 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.827 -19.904 -6.408 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.380 -20.293 -8.465 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.111 -20.405 -8.714 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.110 -17.681 -9.154 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.313 -18.852 -10.185 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.564 -19.720 -10.887 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -3.323 -18.478 -9.910 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.914 -16.938 -11.593 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.724 -19.692 -11.954 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.063 -19.111 -13.486 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.057 -16.206 -13.560 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.815 -17.148 -14.389 1.00 0.00 H new ATOM 580 N THR A 40 -0.071 -17.190 -6.905 1.00 0.00 N ATOM 581 CA THR A 40 1.117 -16.459 -6.476 1.00 0.00 C ATOM 582 C THR A 40 0.740 -15.099 -5.898 1.00 0.00 C ATOM 583 O THR A 40 -0.163 -14.430 -6.399 1.00 0.00 O ATOM 584 CB THR A 40 2.082 -16.279 -7.648 1.00 0.00 C ATOM 585 OG1 THR A 40 3.123 -15.381 -7.306 1.00 0.00 O ATOM 586 CG2 THR A 40 1.413 -15.751 -8.898 1.00 0.00 C ATOM 0 H THR A 40 -0.727 -16.641 -7.460 1.00 0.00 H new ATOM 0 HA THR A 40 1.609 -17.041 -5.696 1.00 0.00 H new ATOM 0 HB THR A 40 2.472 -17.275 -7.857 1.00 0.00 H new ATOM 0 HG1 THR A 40 2.958 -14.512 -7.728 1.00 0.00 H new ATOM 0 HG21 THR A 40 2.154 -15.647 -9.691 1.00 0.00 H new ATOM 0 HG22 THR A 40 0.636 -16.446 -9.216 1.00 0.00 H new ATOM 0 HG23 THR A 40 0.966 -14.779 -8.689 1.00 0.00 H new ATOM 594 N VAL A 41 1.439 -14.696 -4.842 1.00 0.00 N ATOM 595 CA VAL A 41 1.179 -13.417 -4.196 1.00 0.00 C ATOM 596 C VAL A 41 1.901 -12.282 -4.916 1.00 0.00 C ATOM 597 O VAL A 41 2.927 -11.789 -4.447 1.00 0.00 O ATOM 598 CB VAL A 41 1.616 -13.435 -2.719 1.00 0.00 C ATOM 599 CG1 VAL A 41 0.671 -14.292 -1.892 1.00 0.00 C ATOM 600 CG2 VAL A 41 3.048 -13.933 -2.592 1.00 0.00 C ATOM 0 H VAL A 41 2.191 -15.238 -4.416 1.00 0.00 H new ATOM 0 HA VAL A 41 0.103 -13.249 -4.246 1.00 0.00 H new ATOM 0 HB VAL A 41 1.574 -12.416 -2.335 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.996 -14.292 -0.852 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.339 -13.886 -1.956 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.677 -15.313 -2.274 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.339 -13.939 -1.542 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.119 -14.944 -2.994 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.713 -13.274 -3.149 1.00 0.00 H new ATOM 610 N SER A 42 1.359 -11.874 -6.059 1.00 0.00 N ATOM 611 CA SER A 42 1.951 -10.797 -6.844 1.00 0.00 C ATOM 612 C SER A 42 1.043 -9.572 -6.862 1.00 0.00 C ATOM 613 O SER A 42 0.156 -9.458 -7.708 1.00 0.00 O ATOM 614 CB SER A 42 2.219 -11.269 -8.274 1.00 0.00 C ATOM 615 OG SER A 42 3.235 -12.256 -8.306 1.00 0.00 O ATOM 0 H SER A 42 0.511 -12.273 -6.462 1.00 0.00 H new ATOM 0 HA SER A 42 2.896 -10.518 -6.377 1.00 0.00 H new ATOM 0 HB2 SER A 42 1.302 -11.673 -8.704 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.514 -10.420 -8.891 1.00 0.00 H new ATOM 0 HG SER A 42 3.385 -12.541 -9.232 1.00 0.00 H new ATOM 621 N GLY A 43 1.271 -8.659 -5.923 1.00 0.00 N ATOM 622 CA GLY A 43 0.464 -7.454 -5.850 1.00 0.00 C ATOM 623 C GLY A 43 0.333 -6.928 -4.434 1.00 0.00 C ATOM 624 O GLY A 43 -0.704 -7.100 -3.794 1.00 0.00 O ATOM 0 H GLY A 43 1.999 -8.732 -5.212 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.909 -6.684 -6.480 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.528 -7.660 -6.251 1.00 0.00 H new ATOM 628 N ILE A 44 1.388 -6.284 -3.945 1.00 0.00 N ATOM 629 CA ILE A 44 1.386 -5.729 -2.597 1.00 0.00 C ATOM 630 C ILE A 44 0.892 -4.287 -2.599 1.00 0.00 C ATOM 631 O ILE A 44 1.060 -3.565 -3.583 1.00 0.00 O ATOM 632 CB ILE A 44 2.791 -5.780 -1.965 1.00 0.00 C ATOM 633 CG1 ILE A 44 3.389 -7.182 -2.103 1.00 0.00 C ATOM 634 CG2 ILE A 44 2.729 -5.366 -0.501 1.00 0.00 C ATOM 635 CD1 ILE A 44 4.831 -7.181 -2.562 1.00 0.00 C ATOM 0 H ILE A 44 2.254 -6.134 -4.462 1.00 0.00 H new ATOM 0 HA ILE A 44 0.708 -6.342 -2.003 1.00 0.00 H new ATOM 0 HB ILE A 44 3.436 -5.078 -2.495 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.322 -7.693 -1.143 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.791 -7.755 -2.811 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.729 -5.407 -0.069 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.343 -4.349 -0.426 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.071 -6.045 0.042 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.189 -8.208 -2.638 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.902 -6.699 -3.537 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.442 -6.636 -1.842 1.00 0.00 H new ATOM 647 N PHE A 45 0.283 -3.872 -1.493 1.00 0.00 N ATOM 648 CA PHE A 45 -0.235 -2.514 -1.372 1.00 0.00 C ATOM 649 C PHE A 45 0.098 -1.923 -0.005 1.00 0.00 C ATOM 650 O PHE A 45 0.155 -2.638 0.995 1.00 0.00 O ATOM 651 CB PHE A 45 -1.748 -2.502 -1.591 1.00 0.00 C ATOM 652 CG PHE A 45 -2.151 -2.785 -3.009 1.00 0.00 C ATOM 653 CD1 PHE A 45 -2.282 -4.090 -3.460 1.00 0.00 C ATOM 654 CD2 PHE A 45 -2.400 -1.747 -3.893 1.00 0.00 C ATOM 655 CE1 PHE A 45 -2.654 -4.353 -4.764 1.00 0.00 C ATOM 656 CE2 PHE A 45 -2.770 -2.005 -5.199 1.00 0.00 C ATOM 657 CZ PHE A 45 -2.898 -3.309 -5.635 1.00 0.00 C ATOM 0 H PHE A 45 0.136 -4.455 -0.669 1.00 0.00 H new ATOM 0 HA PHE A 45 0.241 -1.901 -2.138 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.208 -3.243 -0.937 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.142 -1.529 -1.297 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.091 -4.910 -2.784 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.304 -0.725 -3.557 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.754 -5.374 -5.102 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.959 -1.187 -5.879 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.188 -3.512 -6.655 1.00 0.00 H new ATOM 667 N PHE A 46 0.315 -0.611 0.028 1.00 0.00 N ATOM 668 CA PHE A 46 0.641 0.080 1.270 1.00 0.00 C ATOM 669 C PHE A 46 -0.345 1.213 1.536 1.00 0.00 C ATOM 670 O PHE A 46 -0.342 2.227 0.838 1.00 0.00 O ATOM 671 CB PHE A 46 2.066 0.634 1.213 1.00 0.00 C ATOM 672 CG PHE A 46 3.126 -0.417 1.382 1.00 0.00 C ATOM 673 CD1 PHE A 46 3.230 -1.468 0.485 1.00 0.00 C ATOM 674 CD2 PHE A 46 4.022 -0.350 2.438 1.00 0.00 C ATOM 675 CE1 PHE A 46 4.205 -2.435 0.640 1.00 0.00 C ATOM 676 CE2 PHE A 46 5.000 -1.314 2.596 1.00 0.00 C ATOM 677 CZ PHE A 46 5.091 -2.357 1.697 1.00 0.00 C ATOM 0 H PHE A 46 0.271 -0.006 -0.792 1.00 0.00 H new ATOM 0 HA PHE A 46 0.571 -0.640 2.085 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.214 1.137 0.257 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.186 1.388 1.991 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.541 -1.532 -0.345 1.00 0.00 H new ATOM 0 HD2 PHE A 46 3.955 0.464 3.145 1.00 0.00 H new ATOM 0 HE1 PHE A 46 4.274 -3.251 -0.064 1.00 0.00 H new ATOM 0 HE2 PHE A 46 5.692 -1.251 3.422 1.00 0.00 H new ATOM 0 HZ PHE A 46 5.854 -3.111 1.820 1.00 0.00 H new ATOM 687 N GLY A 47 -1.187 1.033 2.547 1.00 0.00 N ATOM 688 CA GLY A 47 -2.167 2.048 2.886 1.00 0.00 C ATOM 689 C GLY A 47 -1.534 3.286 3.490 1.00 0.00 C ATOM 690 O GLY A 47 -0.870 3.210 4.525 1.00 0.00 O ATOM 0 H GLY A 47 -1.209 0.202 3.138 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.721 2.327 1.990 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.888 1.632 3.590 1.00 0.00 H new ATOM 694 N VAL A 48 -1.739 4.429 2.844 1.00 0.00 N ATOM 695 CA VAL A 48 -1.184 5.689 3.323 1.00 0.00 C ATOM 696 C VAL A 48 -2.236 6.792 3.311 1.00 0.00 C ATOM 697 O VAL A 48 -2.957 6.967 2.328 1.00 0.00 O ATOM 698 CB VAL A 48 0.018 6.133 2.470 1.00 0.00 C ATOM 699 CG1 VAL A 48 0.705 7.336 3.098 1.00 0.00 C ATOM 700 CG2 VAL A 48 0.999 4.983 2.290 1.00 0.00 C ATOM 0 H VAL A 48 -2.286 4.508 1.987 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.851 5.519 4.347 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.348 6.426 1.486 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.552 7.635 2.480 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.002 8.163 3.169 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.058 7.074 4.095 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.842 5.315 1.684 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.359 4.656 3.265 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.499 4.153 1.791 1.00 0.00 H new ATOM 710 N GLU A 49 -2.320 7.536 4.410 1.00 0.00 N ATOM 711 CA GLU A 49 -3.284 8.623 4.525 1.00 0.00 C ATOM 712 C GLU A 49 -2.684 9.936 4.033 1.00 0.00 C ATOM 713 O GLU A 49 -1.714 10.438 4.601 1.00 0.00 O ATOM 714 CB GLU A 49 -3.746 8.772 5.975 1.00 0.00 C ATOM 715 CG GLU A 49 -4.839 9.812 6.161 1.00 0.00 C ATOM 716 CD GLU A 49 -5.117 10.111 7.622 1.00 0.00 C ATOM 717 OE1 GLU A 49 -4.163 10.074 8.428 1.00 0.00 O ATOM 718 OE2 GLU A 49 -6.288 10.383 7.959 1.00 0.00 O ATOM 0 H GLU A 49 -1.732 7.405 5.233 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.144 8.380 3.900 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.108 7.808 6.333 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.890 9.041 6.594 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.550 10.733 5.654 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.755 9.461 5.685 1.00 0.00 H new ATOM 725 N LEU A 50 -3.268 10.487 2.974 1.00 0.00 N ATOM 726 CA LEU A 50 -2.790 11.742 2.405 1.00 0.00 C ATOM 727 C LEU A 50 -2.869 12.870 3.429 1.00 0.00 C ATOM 728 O LEU A 50 -3.783 12.909 4.254 1.00 0.00 O ATOM 729 CB LEU A 50 -3.607 12.108 1.164 1.00 0.00 C ATOM 730 CG LEU A 50 -3.680 11.017 0.093 1.00 0.00 C ATOM 731 CD1 LEU A 50 -4.536 11.476 -1.078 1.00 0.00 C ATOM 732 CD2 LEU A 50 -2.284 10.641 -0.380 1.00 0.00 C ATOM 0 H LEU A 50 -4.072 10.085 2.493 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.747 11.607 2.119 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.621 12.358 1.476 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.180 13.006 0.718 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.144 10.133 0.532 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.577 10.688 -1.830 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.544 11.696 -0.727 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.101 12.374 -1.517 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.355 9.864 -1.141 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.794 11.519 -0.802 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.702 10.270 0.464 1.00 0.00 H new ATOM 744 N LEU A 51 -1.908 13.785 3.371 1.00 0.00 N ATOM 745 CA LEU A 51 -1.870 14.914 4.292 1.00 0.00 C ATOM 746 C LEU A 51 -2.713 16.072 3.769 1.00 0.00 C ATOM 747 O LEU A 51 -3.316 15.980 2.700 1.00 0.00 O ATOM 748 CB LEU A 51 -0.426 15.373 4.508 1.00 0.00 C ATOM 749 CG LEU A 51 0.292 14.714 5.688 1.00 0.00 C ATOM 750 CD1 LEU A 51 1.793 14.677 5.446 1.00 0.00 C ATOM 751 CD2 LEU A 51 -0.024 15.450 6.981 1.00 0.00 C ATOM 0 H LEU A 51 -1.144 13.767 2.695 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.287 14.589 5.245 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.142 15.174 3.599 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.422 16.453 4.657 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.065 13.688 5.780 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.287 14.205 6.295 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.002 14.106 4.541 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.168 15.694 5.327 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.495 14.968 7.810 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.305 16.486 6.900 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.099 15.424 7.161 1.00 0.00 H new ATOM 763 N GLU A 52 -2.750 17.162 4.529 1.00 0.00 N ATOM 764 CA GLU A 52 -3.521 18.340 4.144 1.00 0.00 C ATOM 765 C GLU A 52 -3.153 18.802 2.737 1.00 0.00 C ATOM 766 O GLU A 52 -3.978 19.376 2.026 1.00 0.00 O ATOM 767 CB GLU A 52 -3.286 19.476 5.142 1.00 0.00 C ATOM 768 CG GLU A 52 -1.818 19.801 5.358 1.00 0.00 C ATOM 769 CD GLU A 52 -1.610 20.913 6.369 1.00 0.00 C ATOM 770 OE1 GLU A 52 -2.305 21.946 6.266 1.00 0.00 O ATOM 771 OE2 GLU A 52 -0.753 20.751 7.262 1.00 0.00 O ATOM 0 H GLU A 52 -2.255 17.254 5.416 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.576 18.068 4.151 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.800 20.370 4.789 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.735 19.207 6.098 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.297 18.905 5.696 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.370 20.090 4.407 1.00 0.00 H new ATOM 778 N GLU A 53 -1.911 18.548 2.340 1.00 0.00 N ATOM 779 CA GLU A 53 -1.436 18.938 1.017 1.00 0.00 C ATOM 780 C GLU A 53 -2.232 18.233 -0.076 1.00 0.00 C ATOM 781 O GLU A 53 -2.751 18.875 -0.991 1.00 0.00 O ATOM 782 CB GLU A 53 0.052 18.613 0.870 1.00 0.00 C ATOM 783 CG GLU A 53 0.806 19.601 -0.005 1.00 0.00 C ATOM 784 CD GLU A 53 1.648 18.918 -1.065 1.00 0.00 C ATOM 785 OE1 GLU A 53 2.659 18.281 -0.701 1.00 0.00 O ATOM 786 OE2 GLU A 53 1.297 19.021 -2.259 1.00 0.00 O ATOM 0 H GLU A 53 -1.215 18.074 2.915 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.578 20.013 0.910 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.510 18.592 1.859 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.157 17.613 0.449 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.094 20.270 -0.488 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.449 20.219 0.622 1.00 0.00 H new ATOM 793 N GLY A 54 -2.328 16.912 0.025 1.00 0.00 N ATOM 794 CA GLY A 54 -3.064 16.142 -0.962 1.00 0.00 C ATOM 795 C GLY A 54 -4.324 15.521 -0.392 1.00 0.00 C ATOM 796 O GLY A 54 -4.763 14.464 -0.845 1.00 0.00 O ATOM 0 H GLY A 54 -1.909 16.360 0.773 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.328 16.788 -1.799 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.422 15.355 -1.357 1.00 0.00 H new ATOM 800 N ARG A 55 -4.908 16.179 0.604 1.00 0.00 N ATOM 801 CA ARG A 55 -6.124 15.686 1.238 1.00 0.00 C ATOM 802 C ARG A 55 -7.307 15.758 0.276 1.00 0.00 C ATOM 803 O ARG A 55 -7.403 16.679 -0.537 1.00 0.00 O ATOM 804 CB ARG A 55 -6.428 16.491 2.503 1.00 0.00 C ATOM 805 CG ARG A 55 -6.786 15.628 3.702 1.00 0.00 C ATOM 806 CD ARG A 55 -6.175 16.173 4.983 1.00 0.00 C ATOM 807 NE ARG A 55 -6.892 15.713 6.171 1.00 0.00 N ATOM 808 CZ ARG A 55 -8.038 16.241 6.596 1.00 0.00 C ATOM 809 NH1 ARG A 55 -8.600 17.245 5.935 1.00 0.00 N ATOM 810 NH2 ARG A 55 -8.622 15.763 7.686 1.00 0.00 N ATOM 0 H ARG A 55 -4.558 17.056 0.989 1.00 0.00 H new ATOM 0 HA ARG A 55 -5.965 14.643 1.511 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.560 17.102 2.752 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -7.252 17.175 2.299 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -7.870 15.580 3.806 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.436 14.609 3.536 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -5.132 15.864 5.047 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.184 17.263 4.954 1.00 0.00 H new ATOM 0 HE ARG A 55 -6.491 14.942 6.706 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -8.154 17.616 5.096 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -9.478 17.645 6.266 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -8.193 14.992 8.198 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -9.500 16.166 8.013 1.00 0.00 H new ATOM 824 N GLY A 56 -8.204 14.783 0.374 1.00 0.00 N ATOM 825 CA GLY A 56 -9.368 14.756 -0.494 1.00 0.00 C ATOM 826 C GLY A 56 -9.056 14.193 -1.866 1.00 0.00 C ATOM 827 O GLY A 56 -9.560 14.687 -2.875 1.00 0.00 O ATOM 0 H GLY A 56 -8.147 14.011 1.038 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.151 14.157 -0.028 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.761 15.767 -0.601 1.00 0.00 H new ATOM 831 N GLN A 57 -8.223 13.158 -1.906 1.00 0.00 N ATOM 832 CA GLN A 57 -7.846 12.529 -3.166 1.00 0.00 C ATOM 833 C GLN A 57 -7.656 11.026 -2.988 1.00 0.00 C ATOM 834 O GLN A 57 -6.790 10.421 -3.621 1.00 0.00 O ATOM 835 CB GLN A 57 -6.562 13.158 -3.711 1.00 0.00 C ATOM 836 CG GLN A 57 -6.695 14.641 -4.017 1.00 0.00 C ATOM 837 CD GLN A 57 -7.721 14.922 -5.097 1.00 0.00 C ATOM 838 OE1 GLN A 57 -8.612 15.753 -4.922 1.00 0.00 O ATOM 839 NE2 GLN A 57 -7.600 14.229 -6.224 1.00 0.00 N ATOM 0 H GLN A 57 -7.796 12.737 -1.080 1.00 0.00 H new ATOM 0 HA GLN A 57 -8.653 12.692 -3.881 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.761 13.015 -2.986 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -6.267 12.633 -4.619 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.975 15.172 -3.107 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -5.727 15.032 -4.330 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -6.846 13.550 -6.327 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -8.261 14.376 -6.987 1.00 0.00 H new ATOM 848 N GLY A 58 -8.469 10.429 -2.123 1.00 0.00 N ATOM 849 CA GLY A 58 -8.374 9.002 -1.879 1.00 0.00 C ATOM 850 C GLY A 58 -9.426 8.213 -2.634 1.00 0.00 C ATOM 851 O GLY A 58 -10.505 8.727 -2.926 1.00 0.00 O ATOM 0 H GLY A 58 -9.192 10.908 -1.586 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.384 8.652 -2.170 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.478 8.811 -0.811 1.00 0.00 H new ATOM 855 N PHE A 59 -9.109 6.962 -2.951 1.00 0.00 N ATOM 856 CA PHE A 59 -10.036 6.101 -3.678 1.00 0.00 C ATOM 857 C PHE A 59 -10.572 4.993 -2.778 1.00 0.00 C ATOM 858 O PHE A 59 -11.767 4.698 -2.784 1.00 0.00 O ATOM 859 CB PHE A 59 -9.348 5.492 -4.901 1.00 0.00 C ATOM 860 CG PHE A 59 -8.197 4.590 -4.556 1.00 0.00 C ATOM 861 CD1 PHE A 59 -6.957 5.119 -4.237 1.00 0.00 C ATOM 862 CD2 PHE A 59 -8.354 3.213 -4.554 1.00 0.00 C ATOM 863 CE1 PHE A 59 -5.896 4.293 -3.919 1.00 0.00 C ATOM 864 CE2 PHE A 59 -7.297 2.381 -4.238 1.00 0.00 C ATOM 865 CZ PHE A 59 -6.066 2.922 -3.921 1.00 0.00 C ATOM 0 H PHE A 59 -8.219 6.522 -2.717 1.00 0.00 H new ATOM 0 HA PHE A 59 -10.875 6.713 -4.009 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -10.081 4.927 -5.477 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -8.989 6.296 -5.544 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -6.818 6.190 -4.237 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -9.314 2.785 -4.802 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.935 4.718 -3.669 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -7.433 1.310 -4.239 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.238 2.274 -3.675 1.00 0.00 H new ATOM 875 N THR A 60 -9.681 4.383 -2.003 1.00 0.00 N ATOM 876 CA THR A 60 -10.066 3.308 -1.096 1.00 0.00 C ATOM 877 C THR A 60 -10.736 3.866 0.156 1.00 0.00 C ATOM 878 O THR A 60 -11.716 3.307 0.650 1.00 0.00 O ATOM 879 CB THR A 60 -8.845 2.471 -0.710 1.00 0.00 C ATOM 880 OG1 THR A 60 -9.169 1.559 0.324 1.00 0.00 O ATOM 881 CG2 THR A 60 -7.671 3.302 -0.237 1.00 0.00 C ATOM 0 H THR A 60 -8.688 4.615 -1.985 1.00 0.00 H new ATOM 0 HA THR A 60 -10.782 2.670 -1.614 1.00 0.00 H new ATOM 0 HB THR A 60 -8.555 1.949 -1.622 1.00 0.00 H new ATOM 0 HG1 THR A 60 -8.376 1.032 0.556 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.840 2.645 0.020 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.363 3.982 -1.031 1.00 0.00 H new ATOM 0 HG23 THR A 60 -7.963 3.878 0.641 1.00 0.00 H new ATOM 889 N ASP A 61 -10.201 4.972 0.666 1.00 0.00 N ATOM 890 CA ASP A 61 -10.746 5.610 1.861 1.00 0.00 C ATOM 891 C ASP A 61 -10.914 4.605 2.999 1.00 0.00 C ATOM 892 O ASP A 61 -11.762 4.781 3.874 1.00 0.00 O ATOM 893 CB ASP A 61 -12.091 6.266 1.545 1.00 0.00 C ATOM 894 CG ASP A 61 -12.044 7.104 0.281 1.00 0.00 C ATOM 895 OD1 ASP A 61 -10.928 7.425 -0.177 1.00 0.00 O ATOM 896 OD2 ASP A 61 -13.124 7.438 -0.250 1.00 0.00 O ATOM 0 H ASP A 61 -9.389 5.446 0.270 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.039 6.375 2.182 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.852 5.493 1.437 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -12.391 6.895 2.383 1.00 0.00 H new ATOM 901 N GLY A 62 -10.100 3.554 2.983 1.00 0.00 N ATOM 902 CA GLY A 62 -10.178 2.542 4.020 1.00 0.00 C ATOM 903 C GLY A 62 -10.812 1.255 3.532 1.00 0.00 C ATOM 904 O GLY A 62 -10.469 0.169 4.000 1.00 0.00 O ATOM 0 H GLY A 62 -9.389 3.385 2.271 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.176 2.330 4.392 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.754 2.931 4.859 1.00 0.00 H new ATOM 908 N VAL A 63 -11.741 1.375 2.589 1.00 0.00 N ATOM 909 CA VAL A 63 -12.426 0.211 2.038 1.00 0.00 C ATOM 910 C VAL A 63 -12.033 -0.019 0.582 1.00 0.00 C ATOM 911 O VAL A 63 -12.091 0.895 -0.240 1.00 0.00 O ATOM 912 CB VAL A 63 -13.958 0.361 2.134 1.00 0.00 C ATOM 913 CG1 VAL A 63 -14.436 1.551 1.314 1.00 0.00 C ATOM 914 CG2 VAL A 63 -14.650 -0.918 1.685 1.00 0.00 C ATOM 0 H VAL A 63 -12.037 2.266 2.191 1.00 0.00 H new ATOM 0 HA VAL A 63 -12.119 -0.649 2.632 1.00 0.00 H new ATOM 0 HB VAL A 63 -14.219 0.542 3.177 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -15.519 1.638 1.396 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -13.969 2.462 1.689 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -14.162 1.406 0.269 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -15.730 -0.793 1.760 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -14.380 -1.134 0.651 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -14.336 -1.745 2.322 1.00 0.00 H new ATOM 924 N TYR A 64 -11.630 -1.248 0.271 1.00 0.00 N ATOM 925 CA TYR A 64 -11.224 -1.600 -1.085 1.00 0.00 C ATOM 926 C TYR A 64 -12.203 -2.592 -1.706 1.00 0.00 C ATOM 927 O TYR A 64 -12.266 -3.754 -1.301 1.00 0.00 O ATOM 928 CB TYR A 64 -9.814 -2.193 -1.078 1.00 0.00 C ATOM 929 CG TYR A 64 -9.195 -2.304 -2.453 1.00 0.00 C ATOM 930 CD1 TYR A 64 -9.489 -3.378 -3.283 1.00 0.00 C ATOM 931 CD2 TYR A 64 -8.317 -1.335 -2.920 1.00 0.00 C ATOM 932 CE1 TYR A 64 -8.923 -3.483 -4.540 1.00 0.00 C ATOM 933 CE2 TYR A 64 -7.748 -1.432 -4.176 1.00 0.00 C ATOM 934 CZ TYR A 64 -8.054 -2.508 -4.981 1.00 0.00 C ATOM 935 OH TYR A 64 -7.491 -2.609 -6.233 1.00 0.00 O ATOM 0 H TYR A 64 -11.576 -2.016 0.940 1.00 0.00 H new ATOM 0 HA TYR A 64 -11.226 -0.691 -1.687 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -9.173 -1.575 -0.449 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -9.848 -3.183 -0.623 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -10.170 -4.143 -2.941 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -8.075 -0.491 -2.291 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -9.161 -4.325 -5.173 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -7.068 -0.669 -4.524 1.00 0.00 H new ATOM 0 HH TYR A 64 -6.903 -1.841 -6.390 1.00 0.00 H new ATOM 945 N GLN A 65 -12.965 -2.127 -2.690 1.00 0.00 N ATOM 946 CA GLN A 65 -13.943 -2.972 -3.367 1.00 0.00 C ATOM 947 C GLN A 65 -14.949 -3.548 -2.375 1.00 0.00 C ATOM 948 O GLN A 65 -15.494 -4.630 -2.587 1.00 0.00 O ATOM 949 CB GLN A 65 -13.236 -4.109 -4.108 1.00 0.00 C ATOM 950 CG GLN A 65 -12.414 -3.642 -5.299 1.00 0.00 C ATOM 951 CD GLN A 65 -12.572 -4.544 -6.507 1.00 0.00 C ATOM 952 OE1 GLN A 65 -13.684 -4.776 -6.981 1.00 0.00 O ATOM 953 NE2 GLN A 65 -11.457 -5.058 -7.011 1.00 0.00 N ATOM 0 H GLN A 65 -12.924 -1.169 -3.037 1.00 0.00 H new ATOM 0 HA GLN A 65 -14.482 -2.355 -4.085 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -12.584 -4.635 -3.411 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -13.981 -4.827 -4.451 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -12.712 -2.628 -5.566 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -11.362 -3.601 -5.016 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -10.556 -4.838 -6.586 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -11.501 -5.673 -7.824 1.00 0.00 H new ATOM 962 N GLY A 66 -15.191 -2.816 -1.292 1.00 0.00 N ATOM 963 CA GLY A 66 -16.131 -3.272 -0.285 1.00 0.00 C ATOM 964 C GLY A 66 -15.440 -3.848 0.935 1.00 0.00 C ATOM 965 O GLY A 66 -15.989 -3.825 2.036 1.00 0.00 O ATOM 0 H GLY A 66 -14.753 -1.916 -1.094 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -16.765 -2.439 0.020 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -16.785 -4.028 -0.719 1.00 0.00 H new ATOM 969 N LYS A 67 -14.231 -4.365 0.739 1.00 0.00 N ATOM 970 CA LYS A 67 -13.464 -4.949 1.833 1.00 0.00 C ATOM 971 C LYS A 67 -12.741 -3.869 2.629 1.00 0.00 C ATOM 972 O LYS A 67 -11.876 -3.169 2.104 1.00 0.00 O ATOM 973 CB LYS A 67 -12.452 -5.960 1.290 1.00 0.00 C ATOM 974 CG LYS A 67 -12.170 -7.110 2.244 1.00 0.00 C ATOM 975 CD LYS A 67 -11.323 -6.661 3.424 1.00 0.00 C ATOM 976 CE LYS A 67 -10.979 -7.824 4.337 1.00 0.00 C ATOM 977 NZ LYS A 67 -10.539 -7.363 5.684 1.00 0.00 N ATOM 0 H LYS A 67 -13.762 -4.391 -0.166 1.00 0.00 H new ATOM 0 HA LYS A 67 -14.160 -5.461 2.498 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.823 -6.363 0.348 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.518 -5.444 1.070 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -13.112 -7.522 2.607 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.657 -7.910 1.710 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.405 -6.199 3.060 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.860 -5.900 3.990 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.849 -8.473 4.442 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.189 -8.421 3.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.314 -8.187 6.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.694 -6.765 5.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.302 -6.815 6.130 1.00 0.00 H new ATOM 991 N GLN A 68 -13.103 -3.739 3.901 1.00 0.00 N ATOM 992 CA GLN A 68 -12.490 -2.745 4.774 1.00 0.00 C ATOM 993 C GLN A 68 -11.126 -3.222 5.266 1.00 0.00 C ATOM 994 O GLN A 68 -11.035 -4.005 6.210 1.00 0.00 O ATOM 995 CB GLN A 68 -13.401 -2.450 5.967 1.00 0.00 C ATOM 996 CG GLN A 68 -13.265 -1.033 6.499 1.00 0.00 C ATOM 997 CD GLN A 68 -13.990 -0.015 5.640 1.00 0.00 C ATOM 998 OE1 GLN A 68 -15.105 -0.258 5.176 1.00 0.00 O ATOM 999 NE2 GLN A 68 -13.357 1.132 5.422 1.00 0.00 N ATOM 0 H GLN A 68 -13.819 -4.310 4.350 1.00 0.00 H new ATOM 0 HA GLN A 68 -12.350 -1.830 4.199 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -14.437 -2.622 5.674 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -13.176 -3.154 6.769 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -13.658 -0.991 7.515 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.209 -0.770 6.555 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -12.434 1.290 5.827 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -13.794 1.855 4.850 1.00 0.00 H new ATOM 1008 N LEU A 69 -10.069 -2.744 4.616 1.00 0.00 N ATOM 1009 CA LEU A 69 -8.710 -3.122 4.987 1.00 0.00 C ATOM 1010 C LEU A 69 -8.223 -2.305 6.179 1.00 0.00 C ATOM 1011 O LEU A 69 -7.525 -2.820 7.052 1.00 0.00 O ATOM 1012 CB LEU A 69 -7.763 -2.930 3.800 1.00 0.00 C ATOM 1013 CG LEU A 69 -7.934 -3.942 2.666 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -7.131 -3.517 1.447 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -7.514 -5.332 3.124 1.00 0.00 C ATOM 0 H LEU A 69 -10.128 -2.095 3.831 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.717 -4.174 5.271 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.908 -1.928 3.397 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.736 -2.982 4.162 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.988 -3.975 2.389 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.265 -4.249 0.650 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.477 -2.541 1.106 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.075 -3.456 1.710 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.642 -6.039 2.305 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.467 -5.314 3.428 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.131 -5.639 3.968 1.00 0.00 H new ATOM 1027 N PHE A 70 -8.593 -1.029 6.209 1.00 0.00 N ATOM 1028 CA PHE A 70 -8.190 -0.144 7.295 1.00 0.00 C ATOM 1029 C PHE A 70 -9.163 1.023 7.437 1.00 0.00 C ATOM 1030 O PHE A 70 -10.065 1.196 6.617 1.00 0.00 O ATOM 1031 CB PHE A 70 -6.771 0.382 7.055 1.00 0.00 C ATOM 1032 CG PHE A 70 -6.662 1.320 5.885 1.00 0.00 C ATOM 1033 CD1 PHE A 70 -7.004 0.901 4.609 1.00 0.00 C ATOM 1034 CD2 PHE A 70 -6.218 2.619 6.063 1.00 0.00 C ATOM 1035 CE1 PHE A 70 -6.905 1.762 3.532 1.00 0.00 C ATOM 1036 CE2 PHE A 70 -6.116 3.485 4.990 1.00 0.00 C ATOM 1037 CZ PHE A 70 -6.460 3.056 3.724 1.00 0.00 C ATOM 0 H PHE A 70 -9.170 -0.585 5.495 1.00 0.00 H new ATOM 0 HA PHE A 70 -8.204 -0.718 8.222 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.427 0.895 7.953 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.102 -0.464 6.894 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -7.352 -0.110 4.454 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.948 2.960 7.052 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -7.175 1.424 2.542 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.768 4.496 5.142 1.00 0.00 H new ATOM 0 HZ PHE A 70 -6.381 3.731 2.885 1.00 0.00 H new ATOM 1047 N GLN A 71 -8.973 1.820 8.484 1.00 0.00 N ATOM 1048 CA GLN A 71 -9.833 2.972 8.735 1.00 0.00 C ATOM 1049 C GLN A 71 -9.097 4.274 8.441 1.00 0.00 C ATOM 1050 O GLN A 71 -8.036 4.540 9.007 1.00 0.00 O ATOM 1051 CB GLN A 71 -10.322 2.962 10.185 1.00 0.00 C ATOM 1052 CG GLN A 71 -11.682 2.307 10.365 1.00 0.00 C ATOM 1053 CD GLN A 71 -12.788 3.315 10.609 1.00 0.00 C ATOM 1054 OE1 GLN A 71 -12.681 4.171 11.488 1.00 0.00 O ATOM 1055 NE2 GLN A 71 -13.860 3.218 9.831 1.00 0.00 N ATOM 0 H GLN A 71 -8.232 1.690 9.172 1.00 0.00 H new ATOM 0 HA GLN A 71 -10.693 2.905 8.069 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.592 2.439 10.802 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.371 3.988 10.550 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -11.919 1.721 9.477 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -11.638 1.612 11.203 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -13.907 2.493 9.115 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -14.637 3.868 9.950 1.00 0.00 H new ATOM 1064 N CYS A 72 -9.666 5.084 7.554 1.00 0.00 N ATOM 1065 CA CYS A 72 -9.063 6.359 7.185 1.00 0.00 C ATOM 1066 C CYS A 72 -10.126 7.444 7.046 1.00 0.00 C ATOM 1067 O CYS A 72 -11.320 7.178 7.188 1.00 0.00 O ATOM 1068 CB CYS A 72 -8.283 6.218 5.876 1.00 0.00 C ATOM 1069 SG CYS A 72 -6.619 6.924 5.930 1.00 0.00 S ATOM 0 H CYS A 72 -10.544 4.880 7.077 1.00 0.00 H new ATOM 0 HA CYS A 72 -8.375 6.651 7.979 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -8.210 5.161 5.621 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -8.845 6.700 5.076 1.00 0.00 H new ATOM 0 HG CYS A 72 -5.814 6.093 6.522 1.00 0.00 H new ATOM 1075 N ASP A 73 -9.685 8.665 6.768 1.00 0.00 N ATOM 1076 CA ASP A 73 -10.598 9.791 6.608 1.00 0.00 C ATOM 1077 C ASP A 73 -11.304 9.731 5.257 1.00 0.00 C ATOM 1078 O ASP A 73 -11.072 8.818 4.465 1.00 0.00 O ATOM 1079 CB ASP A 73 -9.841 11.113 6.743 1.00 0.00 C ATOM 1080 CG ASP A 73 -9.626 11.511 8.191 1.00 0.00 C ATOM 1081 OD1 ASP A 73 -10.478 11.163 9.035 1.00 0.00 O ATOM 1082 OD2 ASP A 73 -8.608 12.173 8.479 1.00 0.00 O ATOM 0 H ASP A 73 -8.700 8.901 6.649 1.00 0.00 H new ATOM 0 HA ASP A 73 -11.351 9.730 7.394 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.875 11.028 6.245 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.395 11.900 6.231 1.00 0.00 H new ATOM 1087 N GLU A 74 -12.165 10.710 5.001 1.00 0.00 N ATOM 1088 CA GLU A 74 -12.903 10.769 3.745 1.00 0.00 C ATOM 1089 C GLU A 74 -11.992 11.190 2.598 1.00 0.00 C ATOM 1090 O GLU A 74 -11.497 12.317 2.566 1.00 0.00 O ATOM 1091 CB GLU A 74 -14.077 11.742 3.863 1.00 0.00 C ATOM 1092 CG GLU A 74 -15.258 11.383 2.976 1.00 0.00 C ATOM 1093 CD GLU A 74 -16.197 12.551 2.755 1.00 0.00 C ATOM 1094 OE1 GLU A 74 -15.703 13.687 2.587 1.00 0.00 O ATOM 1095 OE2 GLU A 74 -17.427 12.332 2.748 1.00 0.00 O ATOM 0 H GLU A 74 -12.369 11.473 5.646 1.00 0.00 H new ATOM 0 HA GLU A 74 -13.288 9.772 3.532 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -14.409 11.773 4.901 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -13.734 12.745 3.608 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -14.890 11.030 2.013 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -15.810 10.559 3.428 1.00 0.00 H new ATOM 1102 N ASP A 75 -11.773 10.277 1.657 1.00 0.00 N ATOM 1103 CA ASP A 75 -10.919 10.555 0.506 1.00 0.00 C ATOM 1104 C ASP A 75 -9.497 10.885 0.950 1.00 0.00 C ATOM 1105 O ASP A 75 -8.890 11.839 0.464 1.00 0.00 O ATOM 1106 CB ASP A 75 -11.495 11.711 -0.313 1.00 0.00 C ATOM 1107 CG ASP A 75 -12.871 11.399 -0.868 1.00 0.00 C ATOM 1108 OD1 ASP A 75 -12.969 10.523 -1.754 1.00 0.00 O ATOM 1109 OD2 ASP A 75 -13.850 12.029 -0.418 1.00 0.00 O ATOM 0 H ASP A 75 -12.174 9.339 1.668 1.00 0.00 H new ATOM 0 HA ASP A 75 -10.885 9.661 -0.116 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -11.552 12.602 0.312 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -10.818 11.942 -1.136 1.00 0.00 H new ATOM 1114 N CYS A 76 -8.973 10.090 1.877 1.00 0.00 N ATOM 1115 CA CYS A 76 -7.622 10.296 2.387 1.00 0.00 C ATOM 1116 C CYS A 76 -6.789 9.026 2.249 1.00 0.00 C ATOM 1117 O CYS A 76 -5.643 9.071 1.800 1.00 0.00 O ATOM 1118 CB CYS A 76 -7.669 10.734 3.852 1.00 0.00 C ATOM 1119 SG CYS A 76 -8.217 12.439 4.095 1.00 0.00 S ATOM 0 H CYS A 76 -9.463 9.297 2.291 1.00 0.00 H new ATOM 0 HA CYS A 76 -7.153 11.082 1.795 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -8.337 10.068 4.398 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -6.676 10.617 4.287 1.00 0.00 H new ATOM 0 HG CYS A 76 -9.389 12.599 3.556 1.00 0.00 H new ATOM 1125 N GLY A 77 -7.370 7.897 2.639 1.00 0.00 N ATOM 1126 CA GLY A 77 -6.667 6.631 2.552 1.00 0.00 C ATOM 1127 C GLY A 77 -6.369 6.229 1.120 1.00 0.00 C ATOM 1128 O GLY A 77 -7.229 6.341 0.247 1.00 0.00 O ATOM 0 H GLY A 77 -8.316 7.836 3.014 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.732 6.699 3.109 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -7.265 5.854 3.027 1.00 0.00 H new ATOM 1132 N VAL A 78 -5.149 5.760 0.880 1.00 0.00 N ATOM 1133 CA VAL A 78 -4.741 5.342 -0.455 1.00 0.00 C ATOM 1134 C VAL A 78 -3.726 4.206 -0.390 1.00 0.00 C ATOM 1135 O VAL A 78 -2.821 4.216 0.445 1.00 0.00 O ATOM 1136 CB VAL A 78 -4.134 6.512 -1.250 1.00 0.00 C ATOM 1137 CG1 VAL A 78 -5.218 7.488 -1.679 1.00 0.00 C ATOM 1138 CG2 VAL A 78 -3.066 7.218 -0.428 1.00 0.00 C ATOM 0 H VAL A 78 -4.426 5.660 1.593 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.640 4.994 -0.965 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.664 6.111 -2.148 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.768 8.308 -2.240 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.943 6.973 -2.309 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.721 7.884 -0.797 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.648 8.042 -1.006 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.510 7.606 0.489 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.274 6.512 -0.177 1.00 0.00 H new ATOM 1148 N PHE A 79 -3.881 3.229 -1.276 1.00 0.00 N ATOM 1149 CA PHE A 79 -2.977 2.085 -1.321 1.00 0.00 C ATOM 1150 C PHE A 79 -2.025 2.191 -2.507 1.00 0.00 C ATOM 1151 O PHE A 79 -2.440 2.503 -3.623 1.00 0.00 O ATOM 1152 CB PHE A 79 -3.774 0.781 -1.407 1.00 0.00 C ATOM 1153 CG PHE A 79 -4.130 0.205 -0.067 1.00 0.00 C ATOM 1154 CD1 PHE A 79 -3.144 -0.260 0.788 1.00 0.00 C ATOM 1155 CD2 PHE A 79 -5.453 0.126 0.337 1.00 0.00 C ATOM 1156 CE1 PHE A 79 -3.471 -0.792 2.021 1.00 0.00 C ATOM 1157 CE2 PHE A 79 -5.787 -0.405 1.568 1.00 0.00 C ATOM 1158 CZ PHE A 79 -4.794 -0.865 2.412 1.00 0.00 C ATOM 0 H PHE A 79 -4.625 3.206 -1.974 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.388 2.083 -0.404 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -4.689 0.961 -1.971 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -3.194 0.047 -1.966 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.108 -0.206 0.488 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -6.233 0.484 -0.319 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -2.693 -1.150 2.678 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -6.822 -0.461 1.870 1.00 0.00 H new ATOM 0 HZ PHE A 79 -5.052 -1.281 3.375 1.00 0.00 H new ATOM 1168 N VAL A 80 -0.746 1.929 -2.258 1.00 0.00 N ATOM 1169 CA VAL A 80 0.265 1.995 -3.306 1.00 0.00 C ATOM 1170 C VAL A 80 1.468 1.121 -2.967 1.00 0.00 C ATOM 1171 O VAL A 80 1.599 0.640 -1.841 1.00 0.00 O ATOM 1172 CB VAL A 80 0.745 3.441 -3.537 1.00 0.00 C ATOM 1173 CG1 VAL A 80 -0.389 4.299 -4.075 1.00 0.00 C ATOM 1174 CG2 VAL A 80 1.306 4.028 -2.250 1.00 0.00 C ATOM 0 H VAL A 80 -0.386 1.669 -1.340 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.204 1.626 -4.218 1.00 0.00 H new ATOM 0 HB VAL A 80 1.542 3.427 -4.280 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.032 5.317 -4.232 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.739 3.887 -5.021 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.210 4.309 -3.358 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.640 5.049 -2.431 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.531 4.030 -1.483 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.149 3.425 -1.912 1.00 0.00 H new ATOM 1184 N ALA A 81 2.342 0.917 -3.947 1.00 0.00 N ATOM 1185 CA ALA A 81 3.534 0.101 -3.751 1.00 0.00 C ATOM 1186 C ALA A 81 4.690 0.935 -3.211 1.00 0.00 C ATOM 1187 O ALA A 81 4.685 2.162 -3.313 1.00 0.00 O ATOM 1188 CB ALA A 81 3.929 -0.575 -5.054 1.00 0.00 C ATOM 0 H ALA A 81 2.247 1.306 -4.885 1.00 0.00 H new ATOM 0 HA ALA A 81 3.302 -0.666 -3.013 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.821 -1.181 -4.894 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.113 -1.212 -5.395 1.00 0.00 H new ATOM 0 HB3 ALA A 81 4.137 0.183 -5.809 1.00 0.00 H new ATOM 1194 N LEU A 82 5.683 0.261 -2.636 1.00 0.00 N ATOM 1195 CA LEU A 82 6.851 0.938 -2.079 1.00 0.00 C ATOM 1196 C LEU A 82 7.441 1.921 -3.085 1.00 0.00 C ATOM 1197 O LEU A 82 7.778 3.053 -2.738 1.00 0.00 O ATOM 1198 CB LEU A 82 7.911 -0.084 -1.665 1.00 0.00 C ATOM 1199 CG LEU A 82 8.996 0.452 -0.730 1.00 0.00 C ATOM 1200 CD1 LEU A 82 8.537 0.378 0.718 1.00 0.00 C ATOM 1201 CD2 LEU A 82 10.291 -0.323 -0.920 1.00 0.00 C ATOM 0 H LEU A 82 5.702 -0.755 -2.544 1.00 0.00 H new ATOM 0 HA LEU A 82 6.531 1.495 -1.198 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.414 -0.923 -1.177 1.00 0.00 H new ATOM 0 HB3 LEU A 82 8.388 -0.475 -2.564 1.00 0.00 H new ATOM 0 HG LEU A 82 9.180 1.497 -0.978 1.00 0.00 H new ATOM 0 HD11 LEU A 82 9.322 0.764 1.369 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.634 0.976 0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.325 -0.659 0.980 1.00 0.00 H new ATOM 0 HD21 LEU A 82 11.053 0.071 -0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.121 -1.376 -0.698 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.629 -0.220 -1.951 1.00 0.00 H new ATOM 1213 N ASP A 83 7.554 1.481 -4.335 1.00 0.00 N ATOM 1214 CA ASP A 83 8.094 2.324 -5.395 1.00 0.00 C ATOM 1215 C ASP A 83 7.309 3.629 -5.498 1.00 0.00 C ATOM 1216 O ASP A 83 7.840 4.653 -5.927 1.00 0.00 O ATOM 1217 CB ASP A 83 8.058 1.585 -6.733 1.00 0.00 C ATOM 1218 CG ASP A 83 6.711 0.943 -7.002 1.00 0.00 C ATOM 1219 OD1 ASP A 83 6.521 -0.226 -6.606 1.00 0.00 O ATOM 1220 OD2 ASP A 83 5.846 1.609 -7.609 1.00 0.00 O ATOM 0 H ASP A 83 7.279 0.547 -4.638 1.00 0.00 H new ATOM 0 HA ASP A 83 9.129 2.560 -5.149 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.292 2.283 -7.537 1.00 0.00 H new ATOM 0 HB3 ASP A 83 8.832 0.817 -6.742 1.00 0.00 H new ATOM 1225 N LYS A 84 6.042 3.582 -5.095 1.00 0.00 N ATOM 1226 CA LYS A 84 5.185 4.760 -5.136 1.00 0.00 C ATOM 1227 C LYS A 84 5.160 5.464 -3.781 1.00 0.00 C ATOM 1228 O LYS A 84 4.251 6.243 -3.494 1.00 0.00 O ATOM 1229 CB LYS A 84 3.762 4.367 -5.544 1.00 0.00 C ATOM 1230 CG LYS A 84 3.653 3.883 -6.981 1.00 0.00 C ATOM 1231 CD LYS A 84 2.935 4.895 -7.860 1.00 0.00 C ATOM 1232 CE LYS A 84 2.201 4.215 -9.005 1.00 0.00 C ATOM 1233 NZ LYS A 84 1.224 5.129 -9.659 1.00 0.00 N ATOM 0 H LYS A 84 5.588 2.742 -4.737 1.00 0.00 H new ATOM 0 HA LYS A 84 5.593 5.449 -5.876 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.405 3.582 -4.877 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.104 5.225 -5.407 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.650 3.697 -7.379 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.118 2.934 -7.006 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.226 5.463 -7.258 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.656 5.607 -8.260 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.923 3.867 -9.744 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.679 3.334 -8.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 0.745 4.628 -10.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 0.519 5.441 -8.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.725 5.957 -10.040 1.00 0.00 H new ATOM 1247 N LEU A 85 6.163 5.188 -2.951 1.00 0.00 N ATOM 1248 CA LEU A 85 6.251 5.798 -1.630 1.00 0.00 C ATOM 1249 C LEU A 85 7.629 6.412 -1.404 1.00 0.00 C ATOM 1250 O LEU A 85 8.651 5.745 -1.568 1.00 0.00 O ATOM 1251 CB LEU A 85 5.959 4.760 -0.544 1.00 0.00 C ATOM 1252 CG LEU A 85 4.565 4.133 -0.606 1.00 0.00 C ATOM 1253 CD1 LEU A 85 4.441 3.006 0.406 1.00 0.00 C ATOM 1254 CD2 LEU A 85 3.496 5.189 -0.366 1.00 0.00 C ATOM 0 H LEU A 85 6.925 4.546 -3.171 1.00 0.00 H new ATOM 0 HA LEU A 85 5.506 6.591 -1.575 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.702 3.965 -0.613 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.086 5.231 0.431 1.00 0.00 H new ATOM 0 HG LEU A 85 4.418 3.715 -1.602 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.443 2.572 0.347 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.184 2.238 0.188 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.608 3.398 1.409 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.510 4.726 -0.414 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.640 5.636 0.618 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.571 5.963 -1.130 1.00 0.00 H new ATOM 1266 N GLU A 86 7.650 7.686 -1.028 1.00 0.00 N ATOM 1267 CA GLU A 86 8.903 8.389 -0.778 1.00 0.00 C ATOM 1268 C GLU A 86 9.105 8.630 0.714 1.00 0.00 C ATOM 1269 O GLU A 86 8.397 9.430 1.324 1.00 0.00 O ATOM 1270 CB GLU A 86 8.920 9.722 -1.529 1.00 0.00 C ATOM 1271 CG GLU A 86 10.289 10.096 -2.075 1.00 0.00 C ATOM 1272 CD GLU A 86 10.206 10.962 -3.317 1.00 0.00 C ATOM 1273 OE1 GLU A 86 9.353 11.873 -3.348 1.00 0.00 O ATOM 1274 OE2 GLU A 86 10.993 10.726 -4.258 1.00 0.00 O ATOM 0 H GLU A 86 6.814 8.253 -0.890 1.00 0.00 H new ATOM 0 HA GLU A 86 9.720 7.764 -1.139 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.210 9.673 -2.354 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.577 10.511 -0.860 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.851 10.625 -1.305 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.844 9.187 -2.307 1.00 0.00 H new ATOM 1281 N LEU A 87 10.076 7.933 1.295 1.00 0.00 N ATOM 1282 CA LEU A 87 10.372 8.072 2.716 1.00 0.00 C ATOM 1283 C LEU A 87 10.929 9.457 3.025 1.00 0.00 C ATOM 1284 O LEU A 87 11.991 9.834 2.530 1.00 0.00 O ATOM 1285 CB LEU A 87 11.369 6.999 3.157 1.00 0.00 C ATOM 1286 CG LEU A 87 11.465 6.788 4.670 1.00 0.00 C ATOM 1287 CD1 LEU A 87 10.285 5.969 5.171 1.00 0.00 C ATOM 1288 CD2 LEU A 87 12.777 6.108 5.029 1.00 0.00 C ATOM 0 H LEU A 87 10.671 7.266 0.804 1.00 0.00 H new ATOM 0 HA LEU A 87 9.441 7.944 3.269 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.092 6.054 2.690 1.00 0.00 H new ATOM 0 HB3 LEU A 87 12.356 7.264 2.779 1.00 0.00 H new ATOM 0 HG LEU A 87 11.437 7.763 5.157 1.00 0.00 H new ATOM 0 HD11 LEU A 87 10.370 5.829 6.249 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.356 6.493 4.946 1.00 0.00 H new ATOM 0 HD13 LEU A 87 10.282 4.997 4.678 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.829 5.965 6.108 1.00 0.00 H new ATOM 0 HD22 LEU A 87 12.833 5.140 4.532 1.00 0.00 H new ATOM 0 HD23 LEU A 87 13.610 6.731 4.704 1.00 0.00 H new ATOM 1300 N ILE A 88 10.204 10.211 3.845 1.00 0.00 N ATOM 1301 CA ILE A 88 10.627 11.554 4.221 1.00 0.00 C ATOM 1302 C ILE A 88 11.567 11.519 5.420 1.00 0.00 C ATOM 1303 O ILE A 88 11.578 10.555 6.185 1.00 0.00 O ATOM 1304 CB ILE A 88 9.419 12.452 4.556 1.00 0.00 C ATOM 1305 CG1 ILE A 88 8.353 12.343 3.461 1.00 0.00 C ATOM 1306 CG2 ILE A 88 9.865 13.896 4.730 1.00 0.00 C ATOM 1307 CD1 ILE A 88 7.083 11.662 3.922 1.00 0.00 C ATOM 0 H ILE A 88 9.321 9.914 4.261 1.00 0.00 H new ATOM 0 HA ILE A 88 11.153 11.971 3.362 1.00 0.00 H new ATOM 0 HB ILE A 88 8.982 12.112 5.495 1.00 0.00 H new ATOM 0 HG12 ILE A 88 8.110 13.343 3.101 1.00 0.00 H new ATOM 0 HG13 ILE A 88 8.766 11.791 2.616 1.00 0.00 H new ATOM 0 HG21 ILE A 88 9.001 14.518 4.966 1.00 0.00 H new ATOM 0 HG22 ILE A 88 10.589 13.958 5.542 1.00 0.00 H new ATOM 0 HG23 ILE A 88 10.324 14.249 3.807 1.00 0.00 H new ATOM 0 HD11 ILE A 88 6.373 11.619 3.096 1.00 0.00 H new ATOM 0 HD12 ILE A 88 7.313 10.650 4.255 1.00 0.00 H new ATOM 0 HD13 ILE A 88 6.647 12.225 4.747 1.00 0.00 H new ATOM 1319 N GLU A 89 12.356 12.576 5.579 1.00 0.00 N ATOM 1320 CA GLU A 89 13.300 12.666 6.687 1.00 0.00 C ATOM 1321 C GLU A 89 13.462 14.111 7.149 1.00 0.00 C ATOM 1322 O GLU A 89 13.122 15.046 6.426 1.00 0.00 O ATOM 1323 CB GLU A 89 14.657 12.091 6.273 1.00 0.00 C ATOM 1324 CG GLU A 89 15.179 11.022 7.219 1.00 0.00 C ATOM 1325 CD GLU A 89 16.219 10.128 6.571 1.00 0.00 C ATOM 1326 OE1 GLU A 89 17.401 10.527 6.528 1.00 0.00 O ATOM 1327 OE2 GLU A 89 15.850 9.028 6.108 1.00 0.00 O ATOM 0 H GLU A 89 12.361 13.383 4.955 1.00 0.00 H new ATOM 0 HA GLU A 89 12.905 12.083 7.519 1.00 0.00 H new ATOM 0 HB2 GLU A 89 14.573 11.669 5.272 1.00 0.00 H new ATOM 0 HB3 GLU A 89 15.384 12.901 6.217 1.00 0.00 H new ATOM 0 HG2 GLU A 89 15.612 11.500 8.098 1.00 0.00 H new ATOM 0 HG3 GLU A 89 14.346 10.411 7.567 1.00 0.00 H new ATOM 1334 N SER A 90 13.983 14.283 8.359 1.00 0.00 N ATOM 1335 CA SER A 90 14.191 15.614 8.919 1.00 0.00 C ATOM 1336 C SER A 90 15.343 16.325 8.217 1.00 0.00 C ATOM 1337 O SER A 90 16.497 15.909 8.320 1.00 0.00 O ATOM 1338 CB SER A 90 14.471 15.521 10.420 1.00 0.00 C ATOM 1339 OG SER A 90 13.860 16.591 11.121 1.00 0.00 O ATOM 0 H SER A 90 14.269 13.518 8.971 1.00 0.00 H new ATOM 0 HA SER A 90 13.281 16.193 8.762 1.00 0.00 H new ATOM 0 HB2 SER A 90 14.099 14.571 10.804 1.00 0.00 H new ATOM 0 HB3 SER A 90 15.547 15.536 10.594 1.00 0.00 H new ATOM 0 HG SER A 90 14.053 16.507 12.078 1.00 0.00 H new ATOM 1345 N GLY A 91 15.023 17.399 7.504 1.00 0.00 N ATOM 1346 CA GLY A 91 16.042 18.151 6.795 1.00 0.00 C ATOM 1347 C GLY A 91 15.902 19.649 6.995 1.00 0.00 C ATOM 1348 O GLY A 91 15.490 20.096 8.066 1.00 0.00 O ATOM 0 H GLY A 91 14.075 17.763 7.404 1.00 0.00 H new ATOM 0 HA2 GLY A 91 17.027 17.833 7.136 1.00 0.00 H new ATOM 0 HA3 GLY A 91 15.983 17.923 5.731 1.00 0.00 H new ATOM 1352 N PRO A 92 16.240 20.458 5.976 1.00 0.00 N ATOM 1353 CA PRO A 92 16.142 21.919 6.063 1.00 0.00 C ATOM 1354 C PRO A 92 14.698 22.399 6.157 1.00 0.00 C ATOM 1355 O PRO A 92 14.421 23.464 6.706 1.00 0.00 O ATOM 1356 CB PRO A 92 16.784 22.403 4.759 1.00 0.00 C ATOM 1357 CG PRO A 92 16.643 21.256 3.818 1.00 0.00 C ATOM 1358 CD PRO A 92 16.740 20.016 4.661 1.00 0.00 C ATOM 0 HA PRO A 92 16.629 22.304 6.959 1.00 0.00 H new ATOM 0 HB2 PRO A 92 16.282 23.292 4.377 1.00 0.00 H new ATOM 0 HB3 PRO A 92 17.831 22.667 4.907 1.00 0.00 H new ATOM 0 HG2 PRO A 92 15.689 21.297 3.293 1.00 0.00 H new ATOM 0 HG3 PRO A 92 17.426 21.275 3.060 1.00 0.00 H new ATOM 0 HD2 PRO A 92 16.137 19.205 4.254 1.00 0.00 H new ATOM 0 HD3 PRO A 92 17.765 19.651 4.723 1.00 0.00 H new ATOM 1366 N SER A 93 13.779 21.603 5.616 1.00 0.00 N ATOM 1367 CA SER A 93 12.362 21.947 5.640 1.00 0.00 C ATOM 1368 C SER A 93 11.823 21.933 7.067 1.00 0.00 C ATOM 1369 O SER A 93 11.513 20.874 7.613 1.00 0.00 O ATOM 1370 CB SER A 93 11.565 20.972 4.771 1.00 0.00 C ATOM 1371 OG SER A 93 11.429 21.460 3.448 1.00 0.00 O ATOM 0 H SER A 93 13.991 20.717 5.157 1.00 0.00 H new ATOM 0 HA SER A 93 12.251 22.954 5.239 1.00 0.00 H new ATOM 0 HB2 SER A 93 12.064 20.003 4.755 1.00 0.00 H new ATOM 0 HB3 SER A 93 10.578 20.815 5.207 1.00 0.00 H new ATOM 0 HG SER A 93 10.917 20.818 2.913 1.00 0.00 H new ATOM 1377 N SER A 94 11.715 23.114 7.665 1.00 0.00 N ATOM 1378 CA SER A 94 11.214 23.237 9.029 1.00 0.00 C ATOM 1379 C SER A 94 12.108 22.480 10.006 1.00 0.00 C ATOM 1380 O SER A 94 13.091 21.854 9.608 1.00 0.00 O ATOM 1381 CB SER A 94 9.781 22.711 9.118 1.00 0.00 C ATOM 1382 OG SER A 94 8.841 23.752 8.911 1.00 0.00 O ATOM 0 H SER A 94 11.968 24.000 7.227 1.00 0.00 H new ATOM 0 HA SER A 94 11.223 24.293 9.299 1.00 0.00 H new ATOM 0 HB2 SER A 94 9.631 21.928 8.374 1.00 0.00 H new ATOM 0 HB3 SER A 94 9.617 22.258 10.096 1.00 0.00 H new ATOM 0 HG SER A 94 7.933 23.389 8.971 1.00 0.00 H new ATOM 1388 N GLY A 95 11.759 22.541 11.288 1.00 0.00 N ATOM 1389 CA GLY A 95 12.541 21.856 12.301 1.00 0.00 C ATOM 1390 C GLY A 95 11.933 21.982 13.685 1.00 0.00 C ATOM 1391 O GLY A 95 11.662 20.936 14.311 1.00 0.00 O ATOM 1392 OXT GLY A 95 11.731 23.125 14.142 1.00 0.00 O ATOM 0 H GLY A 95 10.950 23.052 11.642 1.00 0.00 H new ATOM 0 HA2 GLY A 95 12.626 20.801 12.039 1.00 0.00 H new ATOM 0 HA3 GLY A 95 13.552 22.264 12.313 1.00 0.00 H new TER 1396 GLY A 95