USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 801 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 78 MET CE :methyl 168:sc= -0.84 (180deg=-1.07) USER MOD Set 1.2: A 85 LYS NZ :NH3+ 153:sc= 0.0361 (180deg=-0.00953) USER MOD Set 2.1: A 7 ASN : amide:sc= -0.585 K(o=0.37,f=-1.5!) USER MOD Set 2.2: A 62 SER OG : rot 83:sc= 0.951 USER MOD Single : A 10 THR OG1 : rot -160:sc= 0.748 USER MOD Single : A 12 LYS NZ :NH3+ 160:sc= 0.802 (180deg=0.578) USER MOD Single : A 13 ASN : amide:sc= -0.0147 X(o=-0.015,f=0) USER MOD Single : A 18 SER OG : rot -118:sc= 1.26 USER MOD Single : A 19 SER OG : rot 180:sc= 0.422 USER MOD Single : A 48 TYR OH : rot -21:sc= 1.31 USER MOD Single : A 49 LYS NZ :NH3+ -142:sc= 1.14 (180deg=0.0927) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 CYS SG : rot -166:sc= -0.803 USER MOD Single : A 56 LYS NZ :NH3+ -173:sc= 0.722 (180deg=0.691) USER MOD Single : A 58 ASN : amide:sc= 0.285 K(o=0.28,f=-9.5!) USER MOD Single : A 59 THR OG1 : rot 85:sc= 1.09 USER MOD Single : A 64 ASN : amide:sc= 1.15 K(o=1.1,f=-0.78) USER MOD Single : A 67 SER OG : rot 77:sc= 1.2 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0.398 USER MOD Single : A 76 THR OG1 : rot 115:sc= 1.13 USER MOD Single : A 81 LYS NZ :NH3+ -168:sc= 0.298 (180deg=0.202) USER MOD Single : A 84 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0386) USER MOD Single : A 86 CYS SG : rot 180:sc= -0.0146 USER MOD Single : A 88 THR OG1 : rot 33:sc= 1.21 USER MOD Single : A 95 LYS NZ :NH3+ 172:sc= 1.47 (180deg=1.41) USER MOD Single : A 97 THR OG1 : rot -150:sc=0.000934 USER MOD Single : A 100 GLN : amide:sc= 0.473 X(o=0.47,f=0) USER MOD Single : A 101 THR OG1 : rot 89:sc= 1.2 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 TYR OH : rot -55:sc= 1.04 USER MOD ----------------------------------------------------------------- ATOM 35 N ALA A 3 -3.832 -0.852 -9.356 1.00 0.00 N ATOM 36 CA ALA A 3 -2.873 -0.413 -8.356 1.00 0.00 C ATOM 37 C ALA A 3 -1.643 0.113 -9.096 1.00 0.00 C ATOM 38 O ALA A 3 -1.196 -0.531 -10.053 1.00 0.00 O ATOM 39 CB ALA A 3 -2.458 -1.576 -7.458 1.00 0.00 C ATOM 0 HA ALA A 3 -3.320 0.359 -7.730 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -1.740 -1.225 -6.717 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.336 -1.976 -6.951 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -2.001 -2.358 -8.064 1.00 0.00 H new ATOM 45 N GLY A 4 -1.098 1.259 -8.675 1.00 0.00 N ATOM 46 CA GLY A 4 0.108 1.799 -9.286 1.00 0.00 C ATOM 47 C GLY A 4 1.358 1.169 -8.666 1.00 0.00 C ATOM 48 O GLY A 4 1.270 0.331 -7.768 1.00 0.00 O ATOM 0 H GLY A 4 -1.476 1.825 -7.915 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.094 1.610 -10.359 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.136 2.881 -9.153 1.00 0.00 H new ATOM 52 N ALA A 5 2.535 1.596 -9.127 1.00 0.00 N ATOM 53 CA ALA A 5 3.828 1.176 -8.605 1.00 0.00 C ATOM 54 C ALA A 5 4.551 2.444 -8.165 1.00 0.00 C ATOM 55 O ALA A 5 4.465 3.448 -8.873 1.00 0.00 O ATOM 56 CB ALA A 5 4.614 0.435 -9.688 1.00 0.00 C ATOM 0 H ALA A 5 2.612 2.262 -9.895 1.00 0.00 H new ATOM 0 HA ALA A 5 3.720 0.490 -7.765 1.00 0.00 H new ATOM 0 HB1 ALA A 5 5.580 0.125 -9.289 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.054 -0.444 -10.007 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.769 1.096 -10.541 1.00 0.00 H new ATOM 62 N VAL A 6 5.219 2.427 -7.009 1.00 0.00 N ATOM 63 CA VAL A 6 5.929 3.592 -6.494 1.00 0.00 C ATOM 64 C VAL A 6 7.314 3.216 -5.979 1.00 0.00 C ATOM 65 O VAL A 6 7.642 2.048 -5.765 1.00 0.00 O ATOM 66 CB VAL A 6 5.118 4.308 -5.388 1.00 0.00 C ATOM 67 CG1 VAL A 6 4.131 5.303 -5.995 1.00 0.00 C ATOM 68 CG2 VAL A 6 4.385 3.356 -4.435 1.00 0.00 C ATOM 0 H VAL A 6 5.281 1.605 -6.408 1.00 0.00 H new ATOM 0 HA VAL A 6 6.051 4.285 -7.326 1.00 0.00 H new ATOM 0 HB VAL A 6 5.855 4.839 -4.785 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.573 5.794 -5.198 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.676 6.051 -6.570 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.439 4.775 -6.651 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.840 3.935 -3.689 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.684 2.743 -5.001 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.109 2.712 -3.936 1.00 0.00 H new ATOM 78 N ASN A 7 8.117 4.263 -5.795 1.00 0.00 N ATOM 79 CA ASN A 7 9.449 4.247 -5.225 1.00 0.00 C ATOM 80 C ASN A 7 9.571 5.535 -4.426 1.00 0.00 C ATOM 81 O ASN A 7 8.729 6.415 -4.568 1.00 0.00 O ATOM 82 CB ASN A 7 10.512 4.195 -6.331 1.00 0.00 C ATOM 83 CG ASN A 7 11.909 4.641 -5.900 1.00 0.00 C ATOM 84 OD1 ASN A 7 12.340 5.743 -6.228 1.00 0.00 O ATOM 85 ND2 ASN A 7 12.592 3.839 -5.090 1.00 0.00 N ATOM 0 H ASN A 7 7.828 5.204 -6.060 1.00 0.00 H new ATOM 0 HA ASN A 7 9.605 3.369 -4.598 1.00 0.00 H new ATOM 0 HB2 ASN A 7 10.573 3.175 -6.709 1.00 0.00 H new ATOM 0 HB3 ASN A 7 10.185 4.823 -7.159 1.00 0.00 H new ATOM 0 HD21 ASN A 7 13.498 4.134 -4.725 1.00 0.00 H new ATOM 0 HD22 ASN A 7 12.211 2.928 -4.833 1.00 0.00 H new ATOM 92 N ASP A 8 10.622 5.644 -3.620 1.00 0.00 N ATOM 93 CA ASP A 8 10.952 6.809 -2.802 1.00 0.00 C ATOM 94 C ASP A 8 10.682 8.117 -3.540 1.00 0.00 C ATOM 95 O ASP A 8 10.101 9.048 -2.990 1.00 0.00 O ATOM 96 CB ASP A 8 12.437 6.744 -2.434 1.00 0.00 C ATOM 97 CG ASP A 8 12.833 7.780 -1.384 1.00 0.00 C ATOM 98 OD1 ASP A 8 11.952 8.187 -0.598 1.00 0.00 O ATOM 99 OD2 ASP A 8 14.033 8.127 -1.369 1.00 0.00 O ATOM 0 H ASP A 8 11.299 4.889 -3.513 1.00 0.00 H new ATOM 0 HA ASP A 8 10.323 6.790 -1.912 1.00 0.00 H new ATOM 0 HB2 ASP A 8 12.671 5.747 -2.060 1.00 0.00 H new ATOM 0 HB3 ASP A 8 13.036 6.896 -3.332 1.00 0.00 H new ATOM 104 N ASP A 9 11.118 8.167 -4.797 1.00 0.00 N ATOM 105 CA ASP A 9 10.911 9.319 -5.663 1.00 0.00 C ATOM 106 C ASP A 9 9.420 9.653 -5.805 1.00 0.00 C ATOM 107 O ASP A 9 8.936 10.656 -5.285 1.00 0.00 O ATOM 108 CB ASP A 9 11.519 9.022 -7.037 1.00 0.00 C ATOM 109 CG ASP A 9 11.263 10.170 -8.005 1.00 0.00 C ATOM 110 OD1 ASP A 9 11.911 11.222 -7.821 1.00 0.00 O ATOM 111 OD2 ASP A 9 10.417 9.975 -8.905 1.00 0.00 O ATOM 0 H ASP A 9 11.627 7.404 -5.243 1.00 0.00 H new ATOM 0 HA ASP A 9 11.399 10.186 -5.217 1.00 0.00 H new ATOM 0 HB2 ASP A 9 12.592 8.858 -6.937 1.00 0.00 H new ATOM 0 HB3 ASP A 9 11.092 8.102 -7.437 1.00 0.00 H new ATOM 116 N THR A 10 8.690 8.797 -6.518 1.00 0.00 N ATOM 117 CA THR A 10 7.283 8.985 -6.843 1.00 0.00 C ATOM 118 C THR A 10 6.406 9.098 -5.591 1.00 0.00 C ATOM 119 O THR A 10 5.420 9.835 -5.595 1.00 0.00 O ATOM 120 CB THR A 10 6.850 7.832 -7.758 1.00 0.00 C ATOM 121 OG1 THR A 10 7.341 6.596 -7.269 1.00 0.00 O ATOM 122 CG2 THR A 10 7.423 8.036 -9.165 1.00 0.00 C ATOM 0 H THR A 10 9.075 7.931 -6.895 1.00 0.00 H new ATOM 0 HA THR A 10 7.152 9.933 -7.364 1.00 0.00 H new ATOM 0 HB THR A 10 5.760 7.819 -7.784 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.341 5.935 -7.992 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.111 7.213 -9.808 1.00 0.00 H new ATOM 0 HG22 THR A 10 7.055 8.977 -9.575 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.511 8.064 -9.114 1.00 0.00 H new ATOM 130 N PHE A 11 6.775 8.384 -4.524 1.00 0.00 N ATOM 131 CA PHE A 11 6.124 8.365 -3.217 1.00 0.00 C ATOM 132 C PHE A 11 5.720 9.771 -2.779 1.00 0.00 C ATOM 133 O PHE A 11 4.606 10.024 -2.324 1.00 0.00 O ATOM 134 CB PHE A 11 7.111 7.784 -2.201 1.00 0.00 C ATOM 135 CG PHE A 11 6.536 7.460 -0.845 1.00 0.00 C ATOM 136 CD1 PHE A 11 5.983 6.191 -0.612 1.00 0.00 C ATOM 137 CD2 PHE A 11 6.679 8.368 0.216 1.00 0.00 C ATOM 138 CE1 PHE A 11 5.598 5.818 0.685 1.00 0.00 C ATOM 139 CE2 PHE A 11 6.287 8.000 1.512 1.00 0.00 C ATOM 140 CZ PHE A 11 5.746 6.724 1.749 1.00 0.00 C ATOM 0 H PHE A 11 7.587 7.767 -4.555 1.00 0.00 H new ATOM 0 HA PHE A 11 5.220 7.759 -3.278 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.542 6.875 -2.620 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.928 8.493 -2.069 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.854 5.500 -1.432 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.091 9.350 0.035 1.00 0.00 H new ATOM 0 HE1 PHE A 11 5.188 4.835 0.865 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.401 8.698 2.328 1.00 0.00 H new ATOM 0 HZ PHE A 11 5.445 6.441 2.747 1.00 0.00 H new ATOM 150 N LYS A 12 6.663 10.690 -2.933 1.00 0.00 N ATOM 151 CA LYS A 12 6.513 12.098 -2.594 1.00 0.00 C ATOM 152 C LYS A 12 5.198 12.650 -3.150 1.00 0.00 C ATOM 153 O LYS A 12 4.427 13.285 -2.438 1.00 0.00 O ATOM 154 CB LYS A 12 7.699 12.887 -3.162 1.00 0.00 C ATOM 155 CG LYS A 12 9.048 12.390 -2.615 1.00 0.00 C ATOM 156 CD LYS A 12 9.299 12.781 -1.149 1.00 0.00 C ATOM 157 CE LYS A 12 9.678 11.561 -0.297 1.00 0.00 C ATOM 158 NZ LYS A 12 10.878 10.873 -0.810 1.00 0.00 N ATOM 0 H LYS A 12 7.584 10.468 -3.310 1.00 0.00 H new ATOM 0 HA LYS A 12 6.494 12.201 -1.509 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.699 12.806 -4.249 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.579 13.943 -2.921 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.090 11.305 -2.705 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.851 12.792 -3.232 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.097 13.522 -1.101 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.404 13.249 -0.738 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.855 11.879 0.731 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.842 10.862 -0.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.294 10.291 -0.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.614 10.265 -1.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.574 11.578 -1.126 1.00 0.00 H new ATOM 172 N ASN A 13 4.939 12.377 -4.427 1.00 0.00 N ATOM 173 CA ASN A 13 3.747 12.825 -5.124 1.00 0.00 C ATOM 174 C ASN A 13 2.567 11.907 -4.845 1.00 0.00 C ATOM 175 O ASN A 13 1.540 12.311 -4.308 1.00 0.00 O ATOM 176 CB ASN A 13 4.015 12.805 -6.637 1.00 0.00 C ATOM 177 CG ASN A 13 4.866 13.987 -7.092 1.00 0.00 C ATOM 178 OD1 ASN A 13 5.939 13.800 -7.653 1.00 0.00 O ATOM 179 ND2 ASN A 13 4.421 15.214 -6.845 1.00 0.00 N ATOM 0 H ASN A 13 5.567 11.827 -5.013 1.00 0.00 H new ATOM 0 HA ASN A 13 3.508 13.830 -4.775 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.518 11.875 -6.902 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.065 12.817 -7.172 1.00 0.00 H new ATOM 0 HD21 ASN A 13 4.976 16.023 -7.124 1.00 0.00 H new ATOM 0 HD22 ASN A 13 3.525 15.347 -6.377 1.00 0.00 H new ATOM 186 N VAL A 14 2.726 10.661 -5.273 1.00 0.00 N ATOM 187 CA VAL A 14 1.676 9.665 -5.319 1.00 0.00 C ATOM 188 C VAL A 14 1.157 9.284 -3.933 1.00 0.00 C ATOM 189 O VAL A 14 -0.018 8.948 -3.804 1.00 0.00 O ATOM 190 CB VAL A 14 2.235 8.457 -6.093 1.00 0.00 C ATOM 191 CG1 VAL A 14 1.205 7.334 -6.201 1.00 0.00 C ATOM 192 CG2 VAL A 14 2.648 8.852 -7.520 1.00 0.00 C ATOM 0 H VAL A 14 3.623 10.309 -5.608 1.00 0.00 H new ATOM 0 HA VAL A 14 0.801 10.069 -5.828 1.00 0.00 H new ATOM 0 HB VAL A 14 3.103 8.111 -5.532 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.635 6.498 -6.753 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.923 7.002 -5.202 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.322 7.700 -6.725 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.039 7.978 -8.041 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.781 9.237 -8.057 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.418 9.622 -7.476 1.00 0.00 H new ATOM 202 N VAL A 15 2.012 9.323 -2.908 1.00 0.00 N ATOM 203 CA VAL A 15 1.666 8.871 -1.571 1.00 0.00 C ATOM 204 C VAL A 15 1.535 10.035 -0.594 1.00 0.00 C ATOM 205 O VAL A 15 0.470 10.212 -0.010 1.00 0.00 O ATOM 206 CB VAL A 15 2.699 7.838 -1.099 1.00 0.00 C ATOM 207 CG1 VAL A 15 2.279 7.271 0.259 1.00 0.00 C ATOM 208 CG2 VAL A 15 2.845 6.721 -2.142 1.00 0.00 C ATOM 0 H VAL A 15 2.967 9.672 -2.989 1.00 0.00 H new ATOM 0 HA VAL A 15 0.686 8.394 -1.604 1.00 0.00 H new ATOM 0 HB VAL A 15 3.669 8.322 -0.986 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.015 6.538 0.591 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.218 8.079 0.988 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.305 6.791 0.167 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.580 5.994 -1.796 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.884 6.226 -2.282 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.175 7.148 -3.089 1.00 0.00 H new ATOM 218 N LEU A 16 2.597 10.819 -0.392 1.00 0.00 N ATOM 219 CA LEU A 16 2.557 11.904 0.577 1.00 0.00 C ATOM 220 C LEU A 16 1.649 13.022 0.073 1.00 0.00 C ATOM 221 O LEU A 16 0.537 13.186 0.573 1.00 0.00 O ATOM 222 CB LEU A 16 3.974 12.421 0.863 1.00 0.00 C ATOM 223 CG LEU A 16 4.877 11.404 1.579 1.00 0.00 C ATOM 224 CD1 LEU A 16 6.267 12.017 1.780 1.00 0.00 C ATOM 225 CD2 LEU A 16 4.325 10.983 2.946 1.00 0.00 C ATOM 0 H LEU A 16 3.485 10.720 -0.884 1.00 0.00 H new ATOM 0 HA LEU A 16 2.146 11.529 1.514 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.442 12.708 -0.079 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.905 13.322 1.472 1.00 0.00 H new ATOM 0 HG LEU A 16 4.923 10.515 0.950 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.911 11.299 2.288 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.697 12.269 0.811 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.183 12.920 2.385 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.003 10.264 3.406 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.235 11.859 3.588 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.344 10.526 2.817 1.00 0.00 H new ATOM 237 N GLU A 17 2.074 13.760 -0.953 1.00 0.00 N ATOM 238 CA GLU A 17 1.346 14.908 -1.481 1.00 0.00 C ATOM 239 C GLU A 17 0.186 14.463 -2.384 1.00 0.00 C ATOM 240 O GLU A 17 0.009 14.979 -3.487 1.00 0.00 O ATOM 241 CB GLU A 17 2.339 15.785 -2.256 1.00 0.00 C ATOM 242 CG GLU A 17 3.519 16.267 -1.400 1.00 0.00 C ATOM 243 CD GLU A 17 4.544 17.004 -2.256 1.00 0.00 C ATOM 244 OE1 GLU A 17 5.278 16.308 -2.991 1.00 0.00 O ATOM 245 OE2 GLU A 17 4.567 18.251 -2.168 1.00 0.00 O ATOM 0 H GLU A 17 2.947 13.572 -1.446 1.00 0.00 H new ATOM 0 HA GLU A 17 0.907 15.476 -0.660 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.722 15.223 -3.107 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.812 16.651 -2.657 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.156 16.926 -0.611 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.992 15.415 -0.912 1.00 0.00 H new ATOM 252 N SER A 18 -0.614 13.514 -1.899 1.00 0.00 N ATOM 253 CA SER A 18 -1.776 12.970 -2.565 1.00 0.00 C ATOM 254 C SER A 18 -3.008 13.788 -2.172 1.00 0.00 C ATOM 255 O SER A 18 -3.078 14.328 -1.067 1.00 0.00 O ATOM 256 CB SER A 18 -1.913 11.508 -2.136 1.00 0.00 C ATOM 257 OG SER A 18 -1.901 11.421 -0.720 1.00 0.00 O ATOM 0 H SER A 18 -0.453 13.089 -0.986 1.00 0.00 H new ATOM 0 HA SER A 18 -1.677 13.019 -3.649 1.00 0.00 H new ATOM 0 HB2 SER A 18 -2.840 11.090 -2.528 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.096 10.919 -2.553 1.00 0.00 H new ATOM 0 HG SER A 18 -1.126 10.895 -0.431 1.00 0.00 H new ATOM 263 N SER A 19 -3.975 13.902 -3.083 1.00 0.00 N ATOM 264 CA SER A 19 -5.228 14.596 -2.850 1.00 0.00 C ATOM 265 C SER A 19 -6.184 13.632 -2.149 1.00 0.00 C ATOM 266 O SER A 19 -6.537 13.804 -0.986 1.00 0.00 O ATOM 267 CB SER A 19 -5.768 15.033 -4.216 1.00 0.00 C ATOM 268 OG SER A 19 -5.605 13.965 -5.140 1.00 0.00 O ATOM 0 H SER A 19 -3.901 13.505 -4.019 1.00 0.00 H new ATOM 0 HA SER A 19 -5.106 15.475 -2.217 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.821 15.304 -4.136 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.236 15.918 -4.566 1.00 0.00 H new ATOM 0 HG SER A 19 -5.950 14.235 -6.017 1.00 0.00 H new ATOM 274 N VAL A 20 -6.596 12.608 -2.894 1.00 0.00 N ATOM 275 CA VAL A 20 -7.469 11.545 -2.416 1.00 0.00 C ATOM 276 C VAL A 20 -6.628 10.544 -1.608 1.00 0.00 C ATOM 277 O VAL A 20 -5.406 10.521 -1.776 1.00 0.00 O ATOM 278 CB VAL A 20 -8.151 10.859 -3.616 1.00 0.00 C ATOM 279 CG1 VAL A 20 -8.973 11.868 -4.428 1.00 0.00 C ATOM 280 CG2 VAL A 20 -7.151 10.144 -4.539 1.00 0.00 C ATOM 0 H VAL A 20 -6.324 12.494 -3.870 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.249 11.951 -1.772 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.813 10.101 -3.198 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.444 11.360 -5.269 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -9.742 12.307 -3.792 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.318 12.655 -4.801 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.687 9.679 -5.366 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.436 10.868 -4.931 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.619 9.378 -3.975 1.00 0.00 H new ATOM 290 N PRO A 21 -7.239 9.732 -0.725 1.00 0.00 N ATOM 291 CA PRO A 21 -6.521 8.715 0.028 1.00 0.00 C ATOM 292 C PRO A 21 -5.700 7.778 -0.861 1.00 0.00 C ATOM 293 O PRO A 21 -5.908 7.696 -2.066 1.00 0.00 O ATOM 294 CB PRO A 21 -7.587 7.939 0.797 1.00 0.00 C ATOM 295 CG PRO A 21 -8.650 9.002 1.041 1.00 0.00 C ATOM 296 CD PRO A 21 -8.612 9.835 -0.242 1.00 0.00 C ATOM 0 HA PRO A 21 -5.792 9.184 0.689 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.976 7.100 0.219 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.199 7.530 1.730 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.632 8.559 1.205 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.422 9.605 1.920 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.318 9.454 -0.980 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.884 10.872 -0.046 1.00 0.00 H new ATOM 304 N VAL A 22 -4.787 7.036 -0.240 1.00 0.00 N ATOM 305 CA VAL A 22 -3.823 6.139 -0.858 1.00 0.00 C ATOM 306 C VAL A 22 -3.666 4.890 0.014 1.00 0.00 C ATOM 307 O VAL A 22 -3.778 4.988 1.236 1.00 0.00 O ATOM 308 CB VAL A 22 -2.459 6.856 -0.963 1.00 0.00 C ATOM 309 CG1 VAL A 22 -1.427 6.094 -1.802 1.00 0.00 C ATOM 310 CG2 VAL A 22 -2.575 8.294 -1.484 1.00 0.00 C ATOM 0 H VAL A 22 -4.698 7.049 0.776 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.169 5.854 -1.852 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.100 6.886 0.066 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.494 6.657 -1.831 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.246 5.116 -1.356 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.806 5.966 -2.816 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.583 8.744 -1.535 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.021 8.286 -2.478 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.203 8.876 -0.809 1.00 0.00 H new ATOM 320 N LEU A 23 -3.378 3.736 -0.596 1.00 0.00 N ATOM 321 CA LEU A 23 -3.067 2.486 0.094 1.00 0.00 C ATOM 322 C LEU A 23 -1.802 1.929 -0.555 1.00 0.00 C ATOM 323 O LEU A 23 -1.860 1.440 -1.678 1.00 0.00 O ATOM 324 CB LEU A 23 -4.252 1.512 0.015 1.00 0.00 C ATOM 325 CG LEU A 23 -4.013 0.195 0.783 1.00 0.00 C ATOM 326 CD1 LEU A 23 -5.356 -0.416 1.197 1.00 0.00 C ATOM 327 CD2 LEU A 23 -3.261 -0.861 -0.044 1.00 0.00 C ATOM 0 H LEU A 23 -3.355 3.646 -1.612 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.892 2.647 1.158 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.142 2.000 0.413 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.455 1.283 -1.031 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.401 0.457 1.646 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.181 -1.346 1.739 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.891 0.283 1.839 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.952 -0.621 0.308 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.125 -1.762 0.554 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.837 -1.101 -0.938 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.287 -0.469 -0.335 1.00 0.00 H new ATOM 339 N VAL A 24 -0.658 2.023 0.121 1.00 0.00 N ATOM 340 CA VAL A 24 0.619 1.560 -0.403 1.00 0.00 C ATOM 341 C VAL A 24 0.953 0.197 0.193 1.00 0.00 C ATOM 342 O VAL A 24 1.036 0.089 1.416 1.00 0.00 O ATOM 343 CB VAL A 24 1.727 2.562 -0.042 1.00 0.00 C ATOM 344 CG1 VAL A 24 3.073 2.136 -0.647 1.00 0.00 C ATOM 345 CG2 VAL A 24 1.383 3.960 -0.556 1.00 0.00 C ATOM 0 H VAL A 24 -0.595 2.427 1.056 1.00 0.00 H new ATOM 0 HA VAL A 24 0.550 1.476 -1.488 1.00 0.00 H new ATOM 0 HB VAL A 24 1.805 2.579 1.045 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.840 2.862 -0.376 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.351 1.155 -0.262 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.985 2.088 -1.732 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.181 4.652 -0.289 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.274 3.932 -1.640 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.448 4.293 -0.106 1.00 0.00 H new ATOM 355 N ASP A 25 1.169 -0.823 -0.646 1.00 0.00 N ATOM 356 CA ASP A 25 1.642 -2.122 -0.193 1.00 0.00 C ATOM 357 C ASP A 25 3.152 -2.165 -0.411 1.00 0.00 C ATOM 358 O ASP A 25 3.618 -2.044 -1.544 1.00 0.00 O ATOM 359 CB ASP A 25 0.962 -3.269 -0.945 1.00 0.00 C ATOM 360 CG ASP A 25 1.587 -4.611 -0.555 1.00 0.00 C ATOM 361 OD1 ASP A 25 1.744 -4.836 0.665 1.00 0.00 O ATOM 362 OD2 ASP A 25 1.912 -5.377 -1.487 1.00 0.00 O ATOM 0 H ASP A 25 1.019 -0.764 -1.653 1.00 0.00 H new ATOM 0 HA ASP A 25 1.397 -2.251 0.861 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.104 -3.278 -0.719 1.00 0.00 H new ATOM 0 HB3 ASP A 25 1.059 -3.115 -2.020 1.00 0.00 H new ATOM 367 N PHE A 26 3.936 -2.302 0.654 1.00 0.00 N ATOM 368 CA PHE A 26 5.381 -2.407 0.540 1.00 0.00 C ATOM 369 C PHE A 26 5.664 -3.848 0.141 1.00 0.00 C ATOM 370 O PHE A 26 5.405 -4.750 0.937 1.00 0.00 O ATOM 371 CB PHE A 26 6.053 -2.063 1.872 1.00 0.00 C ATOM 372 CG PHE A 26 6.084 -0.591 2.252 1.00 0.00 C ATOM 373 CD1 PHE A 26 4.907 0.183 2.297 1.00 0.00 C ATOM 374 CD2 PHE A 26 7.304 -0.015 2.651 1.00 0.00 C ATOM 375 CE1 PHE A 26 4.961 1.525 2.704 1.00 0.00 C ATOM 376 CE2 PHE A 26 7.339 1.297 3.151 1.00 0.00 C ATOM 377 CZ PHE A 26 6.168 2.072 3.167 1.00 0.00 C ATOM 0 H PHE A 26 3.588 -2.343 1.612 1.00 0.00 H new ATOM 0 HA PHE A 26 5.778 -1.709 -0.197 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.542 -2.610 2.664 1.00 0.00 H new ATOM 0 HB3 PHE A 26 7.079 -2.430 1.842 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.961 -0.258 2.018 1.00 0.00 H new ATOM 0 HD2 PHE A 26 8.218 -0.585 2.572 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.073 2.138 2.661 1.00 0.00 H new ATOM 0 HE2 PHE A 26 8.265 1.709 3.523 1.00 0.00 H new ATOM 0 HZ PHE A 26 6.196 3.087 3.535 1.00 0.00 H new ATOM 387 N TRP A 27 6.153 -4.061 -1.083 1.00 0.00 N ATOM 388 CA TRP A 27 6.410 -5.390 -1.615 1.00 0.00 C ATOM 389 C TRP A 27 7.846 -5.494 -2.107 1.00 0.00 C ATOM 390 O TRP A 27 8.638 -4.555 -2.023 1.00 0.00 O ATOM 391 CB TRP A 27 5.442 -5.680 -2.776 1.00 0.00 C ATOM 392 CG TRP A 27 5.796 -4.995 -4.056 1.00 0.00 C ATOM 393 CD1 TRP A 27 5.710 -3.669 -4.280 1.00 0.00 C ATOM 394 CD2 TRP A 27 6.449 -5.556 -5.231 1.00 0.00 C ATOM 395 NE1 TRP A 27 6.343 -3.349 -5.465 1.00 0.00 N ATOM 396 CE2 TRP A 27 6.844 -4.480 -6.079 1.00 0.00 C ATOM 397 CE3 TRP A 27 6.792 -6.861 -5.646 1.00 0.00 C ATOM 398 CZ2 TRP A 27 7.588 -4.692 -7.248 1.00 0.00 C ATOM 399 CZ3 TRP A 27 7.471 -7.083 -6.855 1.00 0.00 C ATOM 400 CH2 TRP A 27 7.878 -6.002 -7.653 1.00 0.00 C ATOM 0 H TRP A 27 6.381 -3.308 -1.732 1.00 0.00 H new ATOM 0 HA TRP A 27 6.256 -6.122 -0.822 1.00 0.00 H new ATOM 0 HB2 TRP A 27 5.412 -6.756 -2.949 1.00 0.00 H new ATOM 0 HB3 TRP A 27 4.437 -5.377 -2.481 1.00 0.00 H new ATOM 0 HD1 TRP A 27 5.219 -2.961 -3.629 1.00 0.00 H new ATOM 0 HE1 TRP A 27 6.429 -2.403 -5.837 1.00 0.00 H new ATOM 0 HE3 TRP A 27 6.528 -7.703 -5.023 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 7.935 -3.852 -7.832 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 7.682 -8.093 -7.173 1.00 0.00 H new ATOM 0 HH2 TRP A 27 8.412 -6.179 -8.575 1.00 0.00 H new ATOM 411 N ALA A 28 8.172 -6.649 -2.675 1.00 0.00 N ATOM 412 CA ALA A 28 9.436 -6.911 -3.338 1.00 0.00 C ATOM 413 C ALA A 28 9.296 -8.248 -4.059 1.00 0.00 C ATOM 414 O ALA A 28 8.578 -9.113 -3.559 1.00 0.00 O ATOM 415 CB ALA A 28 10.592 -6.995 -2.341 1.00 0.00 C ATOM 0 H ALA A 28 7.542 -7.451 -2.685 1.00 0.00 H new ATOM 0 HA ALA A 28 9.660 -6.097 -4.028 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.521 -7.192 -2.876 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.677 -6.051 -1.802 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.403 -7.802 -1.632 1.00 0.00 H new ATOM 421 N PRO A 29 9.964 -8.457 -5.200 1.00 0.00 N ATOM 422 CA PRO A 29 9.891 -9.713 -5.931 1.00 0.00 C ATOM 423 C PRO A 29 10.216 -10.922 -5.052 1.00 0.00 C ATOM 424 O PRO A 29 9.501 -11.920 -5.090 1.00 0.00 O ATOM 425 CB PRO A 29 10.862 -9.561 -7.104 1.00 0.00 C ATOM 426 CG PRO A 29 11.751 -8.372 -6.728 1.00 0.00 C ATOM 427 CD PRO A 29 10.798 -7.503 -5.912 1.00 0.00 C ATOM 0 HA PRO A 29 8.877 -9.907 -6.282 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.452 -10.466 -7.248 1.00 0.00 H new ATOM 0 HB3 PRO A 29 10.329 -9.376 -8.037 1.00 0.00 H new ATOM 0 HG2 PRO A 29 12.620 -8.681 -6.146 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.126 -7.850 -7.608 1.00 0.00 H new ATOM 0 HD2 PRO A 29 11.341 -6.857 -5.222 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.202 -6.855 -6.554 1.00 0.00 H new ATOM 435 N TRP A 30 11.276 -10.847 -4.244 1.00 0.00 N ATOM 436 CA TRP A 30 11.646 -11.950 -3.364 1.00 0.00 C ATOM 437 C TRP A 30 10.605 -12.176 -2.262 1.00 0.00 C ATOM 438 O TRP A 30 10.550 -13.268 -1.695 1.00 0.00 O ATOM 439 CB TRP A 30 13.026 -11.688 -2.749 1.00 0.00 C ATOM 440 CG TRP A 30 13.186 -10.406 -1.988 1.00 0.00 C ATOM 441 CD1 TRP A 30 13.838 -9.316 -2.444 1.00 0.00 C ATOM 442 CD2 TRP A 30 12.720 -10.055 -0.646 1.00 0.00 C ATOM 443 NE1 TRP A 30 13.796 -8.314 -1.501 1.00 0.00 N ATOM 444 CE2 TRP A 30 13.096 -8.705 -0.379 1.00 0.00 C ATOM 445 CE3 TRP A 30 12.028 -10.738 0.379 1.00 0.00 C ATOM 446 CZ2 TRP A 30 12.765 -8.056 0.821 1.00 0.00 C ATOM 447 CZ3 TRP A 30 11.660 -10.086 1.571 1.00 0.00 C ATOM 448 CH2 TRP A 30 12.008 -8.742 1.784 1.00 0.00 C ATOM 0 H TRP A 30 11.890 -10.035 -4.183 1.00 0.00 H new ATOM 0 HA TRP A 30 11.684 -12.858 -3.966 1.00 0.00 H new ATOM 0 HB2 TRP A 30 13.264 -12.514 -2.079 1.00 0.00 H new ATOM 0 HB3 TRP A 30 13.765 -11.704 -3.550 1.00 0.00 H new ATOM 0 HD1 TRP A 30 14.321 -9.241 -3.407 1.00 0.00 H new ATOM 0 HE1 TRP A 30 14.228 -7.398 -1.618 1.00 0.00 H new ATOM 0 HE3 TRP A 30 11.777 -11.780 0.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 13.089 -7.042 1.001 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 11.106 -10.623 2.327 1.00 0.00 H new ATOM 0 HH2 TRP A 30 11.694 -8.238 2.686 1.00 0.00 H new ATOM 459 N CYS A 31 9.768 -11.184 -1.945 1.00 0.00 N ATOM 460 CA CYS A 31 8.802 -11.325 -0.865 1.00 0.00 C ATOM 461 C CYS A 31 7.629 -12.197 -1.310 1.00 0.00 C ATOM 462 O CYS A 31 6.594 -11.692 -1.737 1.00 0.00 O ATOM 463 CB CYS A 31 8.326 -9.957 -0.378 1.00 0.00 C ATOM 464 SG CYS A 31 7.038 -10.087 0.881 1.00 0.00 S ATOM 0 H CYS A 31 9.744 -10.282 -2.421 1.00 0.00 H new ATOM 0 HA CYS A 31 9.290 -11.820 -0.026 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.173 -9.404 0.028 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.947 -9.384 -1.224 1.00 0.00 H new ATOM 469 N GLY A 32 7.796 -13.515 -1.186 1.00 0.00 N ATOM 470 CA GLY A 32 6.790 -14.529 -1.488 1.00 0.00 C ATOM 471 C GLY A 32 5.348 -14.104 -1.175 1.00 0.00 C ATOM 472 O GLY A 32 4.536 -14.024 -2.099 1.00 0.00 O ATOM 0 H GLY A 32 8.673 -13.919 -0.859 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.858 -14.788 -2.545 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.021 -15.432 -0.923 1.00 0.00 H new ATOM 476 N PRO A 33 4.995 -13.830 0.097 1.00 0.00 N ATOM 477 CA PRO A 33 3.637 -13.442 0.450 1.00 0.00 C ATOM 478 C PRO A 33 3.198 -12.195 -0.318 1.00 0.00 C ATOM 479 O PRO A 33 2.088 -12.145 -0.842 1.00 0.00 O ATOM 480 CB PRO A 33 3.615 -13.241 1.968 1.00 0.00 C ATOM 481 CG PRO A 33 5.082 -13.121 2.371 1.00 0.00 C ATOM 482 CD PRO A 33 5.837 -13.886 1.285 1.00 0.00 C ATOM 0 HA PRO A 33 2.920 -14.214 0.170 1.00 0.00 H new ATOM 0 HB2 PRO A 33 3.056 -12.345 2.240 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.135 -14.081 2.471 1.00 0.00 H new ATOM 0 HG2 PRO A 33 5.398 -12.079 2.416 1.00 0.00 H new ATOM 0 HG3 PRO A 33 5.260 -13.551 3.357 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.811 -13.435 1.095 1.00 0.00 H new ATOM 0 HD3 PRO A 33 6.017 -14.918 1.588 1.00 0.00 H new ATOM 490 N CYS A 34 4.081 -11.200 -0.416 1.00 0.00 N ATOM 491 CA CYS A 34 3.781 -9.964 -1.127 1.00 0.00 C ATOM 492 C CYS A 34 3.458 -10.285 -2.586 1.00 0.00 C ATOM 493 O CYS A 34 2.501 -9.761 -3.146 1.00 0.00 O ATOM 494 CB CYS A 34 4.947 -8.968 -1.112 1.00 0.00 C ATOM 495 SG CYS A 34 5.757 -8.509 0.437 1.00 0.00 S ATOM 0 H CYS A 34 5.015 -11.230 -0.008 1.00 0.00 H new ATOM 0 HA CYS A 34 2.935 -9.506 -0.615 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.718 -9.369 -1.769 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.586 -8.047 -1.569 1.00 0.00 H new ATOM 500 N ARG A 35 4.274 -11.142 -3.203 1.00 0.00 N ATOM 501 CA ARG A 35 4.148 -11.554 -4.592 1.00 0.00 C ATOM 502 C ARG A 35 2.758 -12.120 -4.858 1.00 0.00 C ATOM 503 O ARG A 35 2.076 -11.682 -5.780 1.00 0.00 O ATOM 504 CB ARG A 35 5.227 -12.602 -4.900 1.00 0.00 C ATOM 505 CG ARG A 35 5.476 -12.774 -6.403 1.00 0.00 C ATOM 506 CD ARG A 35 6.343 -14.015 -6.647 1.00 0.00 C ATOM 507 NE ARG A 35 7.596 -13.938 -5.880 1.00 0.00 N ATOM 508 CZ ARG A 35 8.173 -14.921 -5.175 1.00 0.00 C ATOM 509 NH1 ARG A 35 7.720 -16.178 -5.219 1.00 0.00 N ATOM 510 NH2 ARG A 35 9.224 -14.610 -4.412 1.00 0.00 N ATOM 0 H ARG A 35 5.064 -11.579 -2.729 1.00 0.00 H new ATOM 0 HA ARG A 35 4.285 -10.690 -5.242 1.00 0.00 H new ATOM 0 HB2 ARG A 35 6.158 -12.312 -4.413 1.00 0.00 H new ATOM 0 HB3 ARG A 35 4.929 -13.560 -4.474 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.527 -12.873 -6.929 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.971 -11.889 -6.803 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.792 -14.911 -6.362 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.567 -14.104 -7.710 1.00 0.00 H new ATOM 0 HE ARG A 35 8.078 -13.039 -5.885 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.915 -16.410 -5.800 1.00 0.00 H new ATOM 0 HH12 ARG A 35 8.180 -16.905 -4.671 1.00 0.00 H new ATOM 0 HH21 ARG A 35 9.564 -13.649 -4.379 1.00 0.00 H new ATOM 0 HH22 ARG A 35 9.687 -15.334 -3.862 1.00 0.00 H new ATOM 524 N ILE A 36 2.343 -13.105 -4.059 1.00 0.00 N ATOM 525 CA ILE A 36 1.040 -13.736 -4.255 1.00 0.00 C ATOM 526 C ILE A 36 -0.104 -12.780 -3.897 1.00 0.00 C ATOM 527 O ILE A 36 -1.189 -12.905 -4.455 1.00 0.00 O ATOM 528 CB ILE A 36 0.945 -15.062 -3.484 1.00 0.00 C ATOM 529 CG1 ILE A 36 1.109 -14.842 -1.976 1.00 0.00 C ATOM 530 CG2 ILE A 36 2.018 -16.025 -4.014 1.00 0.00 C ATOM 531 CD1 ILE A 36 0.707 -16.052 -1.144 1.00 0.00 C ATOM 0 H ILE A 36 2.884 -13.478 -3.279 1.00 0.00 H new ATOM 0 HA ILE A 36 0.938 -13.971 -5.315 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.043 -15.494 -3.640 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.148 -14.592 -1.763 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.507 -13.985 -1.673 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.959 -16.969 -3.473 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.853 -16.205 -5.076 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.005 -15.585 -3.869 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.847 -15.829 -0.086 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.341 -16.289 -1.329 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.326 -16.905 -1.420 1.00 0.00 H new ATOM 543 N ILE A 37 0.112 -11.853 -2.958 1.00 0.00 N ATOM 544 CA ILE A 37 -0.886 -10.855 -2.571 1.00 0.00 C ATOM 545 C ILE A 37 -1.032 -9.756 -3.645 1.00 0.00 C ATOM 546 O ILE A 37 -2.134 -9.274 -3.883 1.00 0.00 O ATOM 547 CB ILE A 37 -0.524 -10.313 -1.170 1.00 0.00 C ATOM 548 CG1 ILE A 37 -0.965 -11.362 -0.133 1.00 0.00 C ATOM 549 CG2 ILE A 37 -1.190 -8.969 -0.859 1.00 0.00 C ATOM 550 CD1 ILE A 37 -0.391 -11.118 1.264 1.00 0.00 C ATOM 0 H ILE A 37 0.989 -11.775 -2.443 1.00 0.00 H new ATOM 0 HA ILE A 37 -1.873 -11.313 -2.507 1.00 0.00 H new ATOM 0 HB ILE A 37 0.551 -10.139 -1.136 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.053 -11.368 -0.074 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.659 -12.351 -0.475 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.898 -8.640 0.138 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.874 -8.228 -1.593 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.273 -9.081 -0.901 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.743 -11.895 1.943 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.698 -11.142 1.219 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.718 -10.144 1.627 1.00 0.00 H new ATOM 562 N ALA A 38 0.044 -9.358 -4.326 1.00 0.00 N ATOM 563 CA ALA A 38 0.069 -8.297 -5.337 1.00 0.00 C ATOM 564 C ALA A 38 -1.141 -8.269 -6.295 1.00 0.00 C ATOM 565 O ALA A 38 -1.698 -7.190 -6.500 1.00 0.00 O ATOM 566 CB ALA A 38 1.384 -8.364 -6.124 1.00 0.00 C ATOM 0 H ALA A 38 0.960 -9.783 -4.183 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.001 -7.361 -4.783 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.399 -7.574 -6.875 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.224 -8.232 -5.441 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.465 -9.333 -6.616 1.00 0.00 H new ATOM 572 N PRO A 39 -1.578 -9.384 -6.906 1.00 0.00 N ATOM 573 CA PRO A 39 -2.738 -9.390 -7.786 1.00 0.00 C ATOM 574 C PRO A 39 -3.984 -8.972 -7.002 1.00 0.00 C ATOM 575 O PRO A 39 -4.853 -8.277 -7.521 1.00 0.00 O ATOM 576 CB PRO A 39 -2.878 -10.824 -8.318 1.00 0.00 C ATOM 577 CG PRO A 39 -1.538 -11.479 -7.981 1.00 0.00 C ATOM 578 CD PRO A 39 -1.144 -10.747 -6.704 1.00 0.00 C ATOM 0 HA PRO A 39 -2.622 -8.687 -8.611 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -3.708 -11.346 -7.842 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -3.068 -10.834 -9.391 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -1.637 -12.553 -7.823 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -0.804 -11.340 -8.775 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.625 -11.189 -5.831 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.068 -10.798 -6.536 1.00 0.00 H new ATOM 586 N VAL A 40 -4.057 -9.397 -5.738 1.00 0.00 N ATOM 587 CA VAL A 40 -5.136 -9.066 -4.831 1.00 0.00 C ATOM 588 C VAL A 40 -5.068 -7.565 -4.545 1.00 0.00 C ATOM 589 O VAL A 40 -6.085 -6.884 -4.604 1.00 0.00 O ATOM 590 CB VAL A 40 -5.055 -9.923 -3.551 1.00 0.00 C ATOM 591 CG1 VAL A 40 -6.337 -9.780 -2.736 1.00 0.00 C ATOM 592 CG2 VAL A 40 -4.848 -11.411 -3.869 1.00 0.00 C ATOM 0 H VAL A 40 -3.346 -9.994 -5.316 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.103 -9.292 -5.279 1.00 0.00 H new ATOM 0 HB VAL A 40 -4.198 -9.562 -2.983 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.266 -10.390 -1.836 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -6.476 -8.736 -2.456 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.187 -10.112 -3.333 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.797 -11.978 -2.939 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.682 -11.774 -4.470 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.918 -11.539 -4.424 1.00 0.00 H new ATOM 602 N VAL A 41 -3.875 -7.025 -4.273 1.00 0.00 N ATOM 603 CA VAL A 41 -3.704 -5.584 -4.076 1.00 0.00 C ATOM 604 C VAL A 41 -4.287 -4.848 -5.293 1.00 0.00 C ATOM 605 O VAL A 41 -5.004 -3.854 -5.156 1.00 0.00 O ATOM 606 CB VAL A 41 -2.215 -5.230 -3.876 1.00 0.00 C ATOM 607 CG1 VAL A 41 -2.025 -3.732 -3.621 1.00 0.00 C ATOM 608 CG2 VAL A 41 -1.603 -6.000 -2.707 1.00 0.00 C ATOM 0 H VAL A 41 -3.014 -7.565 -4.185 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.234 -5.272 -3.176 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.709 -5.512 -4.799 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.965 -3.518 -3.485 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.403 -3.167 -4.473 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.572 -3.443 -2.723 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.554 -5.724 -2.598 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.139 -5.756 -1.790 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.678 -7.071 -2.897 1.00 0.00 H new ATOM 618 N ASP A 42 -3.989 -5.363 -6.489 1.00 0.00 N ATOM 619 CA ASP A 42 -4.463 -4.788 -7.737 1.00 0.00 C ATOM 620 C ASP A 42 -5.985 -4.898 -7.874 1.00 0.00 C ATOM 621 O ASP A 42 -6.648 -3.915 -8.196 1.00 0.00 O ATOM 622 CB ASP A 42 -3.747 -5.453 -8.920 1.00 0.00 C ATOM 623 CG ASP A 42 -3.356 -4.415 -9.965 1.00 0.00 C ATOM 624 OD1 ASP A 42 -4.218 -3.589 -10.327 1.00 0.00 O ATOM 625 OD2 ASP A 42 -2.173 -4.410 -10.371 1.00 0.00 O ATOM 0 H ASP A 42 -3.410 -6.193 -6.612 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.226 -3.724 -7.735 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.857 -5.974 -8.567 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.397 -6.203 -9.370 1.00 0.00 H new ATOM 630 N GLU A 43 -6.573 -6.074 -7.643 1.00 0.00 N ATOM 631 CA GLU A 43 -8.018 -6.209 -7.772 1.00 0.00 C ATOM 632 C GLU A 43 -8.713 -5.310 -6.745 1.00 0.00 C ATOM 633 O GLU A 43 -9.699 -4.650 -7.066 1.00 0.00 O ATOM 634 CB GLU A 43 -8.444 -7.680 -7.677 1.00 0.00 C ATOM 635 CG GLU A 43 -8.801 -8.172 -6.269 1.00 0.00 C ATOM 636 CD GLU A 43 -9.055 -9.671 -6.262 1.00 0.00 C ATOM 637 OE1 GLU A 43 -10.129 -10.065 -6.765 1.00 0.00 O ATOM 638 OE2 GLU A 43 -8.185 -10.398 -5.739 1.00 0.00 O ATOM 0 H GLU A 43 -6.081 -6.926 -7.372 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.331 -5.873 -8.760 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.306 -7.834 -8.327 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.637 -8.300 -8.066 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.990 -7.934 -5.581 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.687 -7.648 -5.911 1.00 0.00 H new ATOM 645 N ILE A 44 -8.187 -5.257 -5.517 1.00 0.00 N ATOM 646 CA ILE A 44 -8.703 -4.380 -4.480 1.00 0.00 C ATOM 647 C ILE A 44 -8.660 -2.952 -5.017 1.00 0.00 C ATOM 648 O ILE A 44 -9.634 -2.215 -4.869 1.00 0.00 O ATOM 649 CB ILE A 44 -7.918 -4.577 -3.168 1.00 0.00 C ATOM 650 CG1 ILE A 44 -8.319 -5.940 -2.571 1.00 0.00 C ATOM 651 CG2 ILE A 44 -8.223 -3.463 -2.154 1.00 0.00 C ATOM 652 CD1 ILE A 44 -7.576 -6.266 -1.272 1.00 0.00 C ATOM 0 H ILE A 44 -7.392 -5.824 -5.222 1.00 0.00 H new ATOM 0 HA ILE A 44 -9.738 -4.617 -4.231 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.850 -4.542 -3.384 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.392 -5.945 -2.380 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.121 -6.723 -3.303 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.652 -3.635 -1.242 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.946 -2.498 -2.579 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.288 -3.464 -1.921 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.901 -7.238 -0.901 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.503 -6.291 -1.463 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.794 -5.501 -0.526 1.00 0.00 H new ATOM 664 N ALA A 45 -7.560 -2.549 -5.662 1.00 0.00 N ATOM 665 CA ALA A 45 -7.508 -1.239 -6.296 1.00 0.00 C ATOM 666 C ALA A 45 -8.682 -1.094 -7.262 1.00 0.00 C ATOM 667 O ALA A 45 -9.412 -0.115 -7.196 1.00 0.00 O ATOM 668 CB ALA A 45 -6.198 -1.060 -7.051 1.00 0.00 C ATOM 0 H ALA A 45 -6.710 -3.105 -5.755 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.570 -0.473 -5.523 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.179 -0.075 -7.518 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.363 -1.149 -6.356 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.114 -1.828 -7.820 1.00 0.00 H new ATOM 674 N GLY A 46 -8.876 -2.079 -8.142 1.00 0.00 N ATOM 675 CA GLY A 46 -9.993 -2.087 -9.074 1.00 0.00 C ATOM 676 C GLY A 46 -11.320 -1.836 -8.352 1.00 0.00 C ATOM 677 O GLY A 46 -12.135 -1.040 -8.812 1.00 0.00 O ATOM 0 H GLY A 46 -8.262 -2.889 -8.224 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.840 -1.322 -9.835 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.033 -3.046 -9.590 1.00 0.00 H new ATOM 681 N GLU A 47 -11.537 -2.506 -7.217 1.00 0.00 N ATOM 682 CA GLU A 47 -12.742 -2.355 -6.420 1.00 0.00 C ATOM 683 C GLU A 47 -12.892 -0.949 -5.821 1.00 0.00 C ATOM 684 O GLU A 47 -13.984 -0.388 -5.878 1.00 0.00 O ATOM 685 CB GLU A 47 -12.734 -3.402 -5.299 1.00 0.00 C ATOM 686 CG GLU A 47 -12.845 -4.841 -5.825 1.00 0.00 C ATOM 687 CD GLU A 47 -12.694 -5.890 -4.724 1.00 0.00 C ATOM 688 OE1 GLU A 47 -12.118 -5.552 -3.666 1.00 0.00 O ATOM 689 OE2 GLU A 47 -13.149 -7.028 -4.968 1.00 0.00 O ATOM 0 H GLU A 47 -10.871 -3.173 -6.828 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.595 -2.504 -7.082 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.815 -3.301 -4.721 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.562 -3.204 -4.618 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.811 -4.970 -6.313 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.080 -5.005 -6.584 1.00 0.00 H new ATOM 696 N TYR A 48 -11.827 -0.400 -5.227 1.00 0.00 N ATOM 697 CA TYR A 48 -11.878 0.859 -4.468 1.00 0.00 C ATOM 698 C TYR A 48 -11.129 2.042 -5.113 1.00 0.00 C ATOM 699 O TYR A 48 -10.750 2.995 -4.425 1.00 0.00 O ATOM 700 CB TYR A 48 -11.359 0.578 -3.051 1.00 0.00 C ATOM 701 CG TYR A 48 -12.232 -0.401 -2.291 1.00 0.00 C ATOM 702 CD1 TYR A 48 -13.457 0.035 -1.754 1.00 0.00 C ATOM 703 CD2 TYR A 48 -11.901 -1.767 -2.252 1.00 0.00 C ATOM 704 CE1 TYR A 48 -14.344 -0.889 -1.179 1.00 0.00 C ATOM 705 CE2 TYR A 48 -12.797 -2.694 -1.691 1.00 0.00 C ATOM 706 CZ TYR A 48 -14.016 -2.255 -1.151 1.00 0.00 C ATOM 707 OH TYR A 48 -14.868 -3.152 -0.581 1.00 0.00 O ATOM 0 H TYR A 48 -10.897 -0.818 -5.258 1.00 0.00 H new ATOM 0 HA TYR A 48 -12.917 1.188 -4.454 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -10.345 0.183 -3.112 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -11.303 1.515 -2.497 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -13.716 1.083 -1.784 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -10.957 -2.105 -2.654 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -15.279 -0.550 -0.758 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -12.547 -3.745 -1.676 1.00 0.00 H new ATOM 0 HH TYR A 48 -15.468 -2.686 0.038 1.00 0.00 H new ATOM 717 N LYS A 49 -10.941 2.001 -6.432 1.00 0.00 N ATOM 718 CA LYS A 49 -10.262 3.029 -7.210 1.00 0.00 C ATOM 719 C LYS A 49 -10.895 4.410 -7.026 1.00 0.00 C ATOM 720 O LYS A 49 -11.980 4.558 -6.462 1.00 0.00 O ATOM 721 CB LYS A 49 -10.259 2.639 -8.698 1.00 0.00 C ATOM 722 CG LYS A 49 -11.662 2.344 -9.246 1.00 0.00 C ATOM 723 CD LYS A 49 -11.561 1.829 -10.686 1.00 0.00 C ATOM 724 CE LYS A 49 -12.944 1.562 -11.292 1.00 0.00 C ATOM 725 NZ LYS A 49 -13.725 0.611 -10.481 1.00 0.00 N ATOM 0 H LYS A 49 -11.270 1.223 -7.005 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.237 3.095 -6.844 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -9.811 3.446 -9.278 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.629 1.760 -8.836 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -12.158 1.603 -8.619 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -12.271 3.247 -9.215 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -11.031 2.559 -11.297 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -10.973 0.912 -10.704 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -13.491 2.501 -11.377 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -12.828 1.168 -12.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -14.267 -0.017 -11.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -13.080 0.043 -9.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -14.380 1.135 -9.866 1.00 0.00 H new ATOM 739 N ASP A 50 -10.183 5.428 -7.517 1.00 0.00 N ATOM 740 CA ASP A 50 -10.522 6.851 -7.490 1.00 0.00 C ATOM 741 C ASP A 50 -10.406 7.419 -6.079 1.00 0.00 C ATOM 742 O ASP A 50 -9.728 8.421 -5.880 1.00 0.00 O ATOM 743 CB ASP A 50 -11.905 7.138 -8.100 1.00 0.00 C ATOM 744 CG ASP A 50 -11.941 6.830 -9.593 1.00 0.00 C ATOM 745 OD1 ASP A 50 -11.474 7.697 -10.362 1.00 0.00 O ATOM 746 OD2 ASP A 50 -12.424 5.729 -9.936 1.00 0.00 O ATOM 0 H ASP A 50 -9.288 5.265 -7.978 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.793 7.361 -8.119 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.659 6.541 -7.588 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -12.163 8.185 -7.939 1.00 0.00 H new ATOM 751 N LYS A 51 -11.054 6.795 -5.098 1.00 0.00 N ATOM 752 CA LYS A 51 -10.988 7.260 -3.716 1.00 0.00 C ATOM 753 C LYS A 51 -9.691 6.789 -3.066 1.00 0.00 C ATOM 754 O LYS A 51 -8.973 7.566 -2.438 1.00 0.00 O ATOM 755 CB LYS A 51 -12.189 6.746 -2.914 1.00 0.00 C ATOM 756 CG LYS A 51 -13.518 7.169 -3.555 1.00 0.00 C ATOM 757 CD LYS A 51 -14.710 6.936 -2.616 1.00 0.00 C ATOM 758 CE LYS A 51 -14.897 5.454 -2.272 1.00 0.00 C ATOM 759 NZ LYS A 51 -16.107 5.241 -1.460 1.00 0.00 N ATOM 0 H LYS A 51 -11.631 5.965 -5.235 1.00 0.00 H new ATOM 0 HA LYS A 51 -11.012 8.350 -3.719 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -12.145 5.659 -2.849 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -12.138 7.129 -1.895 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -13.470 8.224 -3.825 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -13.669 6.610 -4.478 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -14.563 7.504 -1.698 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -15.618 7.316 -3.084 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -14.966 4.871 -3.191 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -14.024 5.092 -1.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -16.206 4.229 -1.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -16.029 5.779 -0.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -16.942 5.565 -1.989 1.00 0.00 H new ATOM 773 N LEU A 52 -9.427 5.490 -3.200 1.00 0.00 N ATOM 774 CA LEU A 52 -8.268 4.853 -2.611 1.00 0.00 C ATOM 775 C LEU A 52 -7.220 4.647 -3.698 1.00 0.00 C ATOM 776 O LEU A 52 -7.349 3.766 -4.548 1.00 0.00 O ATOM 777 CB LEU A 52 -8.703 3.534 -1.963 1.00 0.00 C ATOM 778 CG LEU A 52 -7.668 3.000 -0.965 1.00 0.00 C ATOM 779 CD1 LEU A 52 -7.653 3.828 0.329 1.00 0.00 C ATOM 780 CD2 LEU A 52 -8.048 1.554 -0.635 1.00 0.00 C ATOM 0 H LEU A 52 -10.022 4.851 -3.727 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.825 5.474 -1.832 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.654 3.681 -1.451 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.871 2.789 -2.741 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.674 3.062 -1.408 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.908 3.421 1.013 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.404 4.863 0.096 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.636 3.788 0.798 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.330 1.142 0.075 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.046 1.531 -0.197 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.039 0.958 -1.548 1.00 0.00 H new ATOM 792 N LYS A 53 -6.160 5.447 -3.668 1.00 0.00 N ATOM 793 CA LYS A 53 -5.083 5.361 -4.631 1.00 0.00 C ATOM 794 C LYS A 53 -4.223 4.178 -4.190 1.00 0.00 C ATOM 795 O LYS A 53 -3.303 4.304 -3.387 1.00 0.00 O ATOM 796 CB LYS A 53 -4.313 6.693 -4.672 1.00 0.00 C ATOM 797 CG LYS A 53 -3.797 7.029 -6.078 1.00 0.00 C ATOM 798 CD LYS A 53 -2.723 6.035 -6.541 1.00 0.00 C ATOM 799 CE LYS A 53 -2.228 6.388 -7.946 1.00 0.00 C ATOM 800 NZ LYS A 53 -1.190 5.444 -8.395 1.00 0.00 N ATOM 0 H LYS A 53 -6.029 6.177 -2.967 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.434 5.196 -5.650 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.963 7.496 -4.325 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.471 6.644 -3.981 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.629 7.021 -6.783 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.385 8.038 -6.083 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.886 6.044 -5.842 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.130 5.024 -6.537 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.065 6.372 -8.644 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.828 7.402 -7.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.872 5.706 -9.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.383 5.478 -7.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.581 4.481 -8.413 1.00 0.00 H new ATOM 814 N CYS A 54 -4.547 2.993 -4.690 1.00 0.00 N ATOM 815 CA CYS A 54 -3.815 1.802 -4.302 1.00 0.00 C ATOM 816 C CYS A 54 -2.494 1.769 -5.070 1.00 0.00 C ATOM 817 O CYS A 54 -2.446 2.118 -6.254 1.00 0.00 O ATOM 818 CB CYS A 54 -4.656 0.576 -4.600 1.00 0.00 C ATOM 819 SG CYS A 54 -3.747 -0.877 -4.042 1.00 0.00 S ATOM 0 H CYS A 54 -5.303 2.835 -5.357 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.600 1.812 -3.234 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -5.618 0.642 -4.091 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -4.864 0.508 -5.668 1.00 0.00 H new ATOM 0 HG CYS A 54 -4.295 -1.948 -4.536 1.00 0.00 H new ATOM 825 N VAL A 55 -1.406 1.407 -4.393 1.00 0.00 N ATOM 826 CA VAL A 55 -0.076 1.424 -4.964 1.00 0.00 C ATOM 827 C VAL A 55 0.773 0.321 -4.347 1.00 0.00 C ATOM 828 O VAL A 55 0.444 -0.209 -3.287 1.00 0.00 O ATOM 829 CB VAL A 55 0.598 2.797 -4.738 1.00 0.00 C ATOM 830 CG1 VAL A 55 1.096 3.340 -6.075 1.00 0.00 C ATOM 831 CG2 VAL A 55 -0.288 3.870 -4.096 1.00 0.00 C ATOM 0 H VAL A 55 -1.432 1.092 -3.423 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.161 1.252 -6.037 1.00 0.00 H new ATOM 0 HB VAL A 55 1.404 2.600 -4.031 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.572 4.308 -5.920 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.818 2.645 -6.504 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.254 3.455 -6.757 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.282 4.792 -3.983 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.154 4.054 -4.731 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.622 3.528 -3.117 1.00 0.00 H new ATOM 841 N LYS A 56 1.881 -0.003 -5.011 1.00 0.00 N ATOM 842 CA LYS A 56 2.838 -1.002 -4.574 1.00 0.00 C ATOM 843 C LYS A 56 4.246 -0.395 -4.561 1.00 0.00 C ATOM 844 O LYS A 56 4.774 -0.017 -5.609 1.00 0.00 O ATOM 845 CB LYS A 56 2.716 -2.211 -5.507 1.00 0.00 C ATOM 846 CG LYS A 56 1.750 -3.233 -4.894 1.00 0.00 C ATOM 847 CD LYS A 56 1.414 -4.390 -5.842 1.00 0.00 C ATOM 848 CE LYS A 56 0.417 -3.952 -6.924 1.00 0.00 C ATOM 849 NZ LYS A 56 -0.038 -5.090 -7.741 1.00 0.00 N ATOM 0 H LYS A 56 2.140 0.439 -5.893 1.00 0.00 H new ATOM 0 HA LYS A 56 2.636 -1.335 -3.556 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.355 -1.894 -6.485 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.695 -2.666 -5.661 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.188 -3.636 -3.981 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.828 -2.726 -4.608 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.327 -4.755 -6.312 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.995 -5.220 -5.273 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.443 -3.475 -6.454 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.883 -3.206 -7.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.615 -4.740 -8.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.787 -5.602 -8.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.608 -5.733 -7.154 1.00 0.00 H new ATOM 863 N LEU A 57 4.854 -0.285 -3.374 1.00 0.00 N ATOM 864 CA LEU A 57 6.195 0.263 -3.210 1.00 0.00 C ATOM 865 C LEU A 57 7.217 -0.862 -3.279 1.00 0.00 C ATOM 866 O LEU A 57 7.206 -1.773 -2.450 1.00 0.00 O ATOM 867 CB LEU A 57 6.326 1.009 -1.875 1.00 0.00 C ATOM 868 CG LEU A 57 7.731 1.616 -1.670 1.00 0.00 C ATOM 869 CD1 LEU A 57 7.761 3.087 -2.090 1.00 0.00 C ATOM 870 CD2 LEU A 57 8.131 1.502 -0.199 1.00 0.00 C ATOM 0 H LEU A 57 4.422 -0.577 -2.498 1.00 0.00 H new ATOM 0 HA LEU A 57 6.379 0.975 -4.015 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.581 1.804 -1.832 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.108 0.323 -1.057 1.00 0.00 H new ATOM 0 HG LEU A 57 8.435 1.063 -2.292 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.762 3.489 -1.935 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.496 3.170 -3.144 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.047 3.651 -1.491 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.123 1.931 -0.057 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.411 2.041 0.417 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.145 0.452 0.094 1.00 0.00 H new ATOM 882 N ASN A 58 8.126 -0.801 -4.258 1.00 0.00 N ATOM 883 CA ASN A 58 9.204 -1.778 -4.302 1.00 0.00 C ATOM 884 C ASN A 58 10.199 -1.420 -3.197 1.00 0.00 C ATOM 885 O ASN A 58 10.943 -0.447 -3.293 1.00 0.00 O ATOM 886 CB ASN A 58 9.866 -1.850 -5.677 1.00 0.00 C ATOM 887 CG ASN A 58 10.908 -2.970 -5.669 1.00 0.00 C ATOM 888 OD1 ASN A 58 11.825 -2.974 -4.856 1.00 0.00 O ATOM 889 ND2 ASN A 58 10.765 -3.964 -6.536 1.00 0.00 N ATOM 0 H ASN A 58 8.135 -0.107 -5.005 1.00 0.00 H new ATOM 0 HA ASN A 58 8.804 -2.777 -4.130 1.00 0.00 H new ATOM 0 HB2 ASN A 58 9.117 -2.038 -6.446 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.338 -0.898 -5.918 1.00 0.00 H new ATOM 0 HD21 ASN A 58 11.423 -4.744 -6.531 1.00 0.00 H new ATOM 0 HD22 ASN A 58 9.997 -3.949 -7.208 1.00 0.00 H new ATOM 896 N THR A 59 10.196 -2.229 -2.143 1.00 0.00 N ATOM 897 CA THR A 59 10.966 -2.023 -0.925 1.00 0.00 C ATOM 898 C THR A 59 12.463 -2.176 -1.191 1.00 0.00 C ATOM 899 O THR A 59 13.276 -1.456 -0.620 1.00 0.00 O ATOM 900 CB THR A 59 10.479 -3.036 0.122 1.00 0.00 C ATOM 901 OG1 THR A 59 9.067 -2.997 0.198 1.00 0.00 O ATOM 902 CG2 THR A 59 11.028 -2.733 1.516 1.00 0.00 C ATOM 0 H THR A 59 9.634 -3.080 -2.114 1.00 0.00 H new ATOM 0 HA THR A 59 10.816 -1.009 -0.555 1.00 0.00 H new ATOM 0 HB THR A 59 10.836 -4.017 -0.193 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.686 -3.579 -0.492 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.657 -3.475 2.223 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.117 -2.767 1.493 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.702 -1.741 1.828 1.00 0.00 H new ATOM 910 N ASP A 60 12.819 -3.103 -2.080 1.00 0.00 N ATOM 911 CA ASP A 60 14.194 -3.412 -2.451 1.00 0.00 C ATOM 912 C ASP A 60 14.840 -2.193 -3.118 1.00 0.00 C ATOM 913 O ASP A 60 16.003 -1.868 -2.893 1.00 0.00 O ATOM 914 CB ASP A 60 14.153 -4.621 -3.392 1.00 0.00 C ATOM 915 CG ASP A 60 15.430 -5.440 -3.322 1.00 0.00 C ATOM 916 OD1 ASP A 60 16.386 -5.088 -4.044 1.00 0.00 O ATOM 917 OD2 ASP A 60 15.399 -6.423 -2.548 1.00 0.00 O ATOM 0 H ASP A 60 12.135 -3.675 -2.575 1.00 0.00 H new ATOM 0 HA ASP A 60 14.798 -3.653 -1.576 1.00 0.00 H new ATOM 0 HB2 ASP A 60 13.303 -5.252 -3.134 1.00 0.00 H new ATOM 0 HB3 ASP A 60 13.997 -4.279 -4.415 1.00 0.00 H new ATOM 922 N GLU A 61 14.027 -1.515 -3.931 1.00 0.00 N ATOM 923 CA GLU A 61 14.344 -0.299 -4.660 1.00 0.00 C ATOM 924 C GLU A 61 14.185 0.937 -3.765 1.00 0.00 C ATOM 925 O GLU A 61 14.807 1.966 -4.021 1.00 0.00 O ATOM 926 CB GLU A 61 13.391 -0.228 -5.857 1.00 0.00 C ATOM 927 CG GLU A 61 13.768 0.864 -6.861 1.00 0.00 C ATOM 928 CD GLU A 61 12.806 0.879 -8.045 1.00 0.00 C ATOM 929 OE1 GLU A 61 11.584 0.923 -7.782 1.00 0.00 O ATOM 930 OE2 GLU A 61 13.307 0.837 -9.190 1.00 0.00 O ATOM 0 H GLU A 61 13.071 -1.826 -4.104 1.00 0.00 H new ATOM 0 HA GLU A 61 15.382 -0.315 -4.994 1.00 0.00 H new ATOM 0 HB2 GLU A 61 13.382 -1.193 -6.365 1.00 0.00 H new ATOM 0 HB3 GLU A 61 12.378 -0.048 -5.497 1.00 0.00 H new ATOM 0 HG2 GLU A 61 13.757 1.836 -6.367 1.00 0.00 H new ATOM 0 HG3 GLU A 61 14.785 0.699 -7.217 1.00 0.00 H new ATOM 937 N SER A 62 13.345 0.846 -2.725 1.00 0.00 N ATOM 938 CA SER A 62 13.037 1.932 -1.801 1.00 0.00 C ATOM 939 C SER A 62 13.361 1.612 -0.332 1.00 0.00 C ATOM 940 O SER A 62 12.510 1.812 0.540 1.00 0.00 O ATOM 941 CB SER A 62 11.556 2.257 -1.944 1.00 0.00 C ATOM 942 OG SER A 62 11.195 2.274 -3.310 1.00 0.00 O ATOM 0 H SER A 62 12.848 -0.016 -2.501 1.00 0.00 H new ATOM 0 HA SER A 62 13.669 2.781 -2.063 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.960 1.517 -1.411 1.00 0.00 H new ATOM 0 HB3 SER A 62 11.342 3.225 -1.491 1.00 0.00 H new ATOM 0 HG SER A 62 11.013 1.359 -3.612 1.00 0.00 H new ATOM 948 N PRO A 63 14.598 1.193 -0.029 1.00 0.00 N ATOM 949 CA PRO A 63 15.055 0.918 1.320 1.00 0.00 C ATOM 950 C PRO A 63 15.012 2.204 2.141 1.00 0.00 C ATOM 951 O PRO A 63 14.884 2.160 3.360 1.00 0.00 O ATOM 952 CB PRO A 63 16.476 0.367 1.183 1.00 0.00 C ATOM 953 CG PRO A 63 16.955 0.914 -0.159 1.00 0.00 C ATOM 954 CD PRO A 63 15.669 1.001 -0.978 1.00 0.00 C ATOM 0 HA PRO A 63 14.425 0.195 1.838 1.00 0.00 H new ATOM 0 HB2 PRO A 63 17.114 0.701 2.001 1.00 0.00 H new ATOM 0 HB3 PRO A 63 16.485 -0.723 1.196 1.00 0.00 H new ATOM 0 HG2 PRO A 63 17.430 1.889 -0.050 1.00 0.00 H new ATOM 0 HG3 PRO A 63 17.686 0.254 -0.626 1.00 0.00 H new ATOM 0 HD2 PRO A 63 15.714 1.828 -1.686 1.00 0.00 H new ATOM 0 HD3 PRO A 63 15.516 0.092 -1.559 1.00 0.00 H new ATOM 962 N ASN A 64 15.114 3.348 1.459 1.00 0.00 N ATOM 963 CA ASN A 64 15.018 4.678 2.044 1.00 0.00 C ATOM 964 C ASN A 64 13.757 4.774 2.898 1.00 0.00 C ATOM 965 O ASN A 64 13.814 4.810 4.126 1.00 0.00 O ATOM 966 CB ASN A 64 14.971 5.721 0.917 1.00 0.00 C ATOM 967 CG ASN A 64 16.342 6.037 0.323 1.00 0.00 C ATOM 968 OD1 ASN A 64 17.332 5.376 0.617 1.00 0.00 O ATOM 969 ND2 ASN A 64 16.411 7.038 -0.547 1.00 0.00 N ATOM 0 H ASN A 64 15.271 3.369 0.451 1.00 0.00 H new ATOM 0 HA ASN A 64 15.886 4.866 2.676 1.00 0.00 H new ATOM 0 HB2 ASN A 64 14.315 5.359 0.125 1.00 0.00 H new ATOM 0 HB3 ASN A 64 14.530 6.640 1.302 1.00 0.00 H new ATOM 0 HD21 ASN A 64 17.301 7.271 -0.987 1.00 0.00 H new ATOM 0 HD22 ASN A 64 15.574 7.574 -0.776 1.00 0.00 H new ATOM 976 N VAL A 65 12.610 4.782 2.218 1.00 0.00 N ATOM 977 CA VAL A 65 11.287 4.853 2.814 1.00 0.00 C ATOM 978 C VAL A 65 11.163 3.778 3.888 1.00 0.00 C ATOM 979 O VAL A 65 10.770 4.042 5.025 1.00 0.00 O ATOM 980 CB VAL A 65 10.249 4.640 1.699 1.00 0.00 C ATOM 981 CG1 VAL A 65 8.824 4.641 2.249 1.00 0.00 C ATOM 982 CG2 VAL A 65 10.366 5.734 0.635 1.00 0.00 C ATOM 0 H VAL A 65 12.582 4.737 1.199 1.00 0.00 H new ATOM 0 HA VAL A 65 11.119 5.823 3.282 1.00 0.00 H new ATOM 0 HB VAL A 65 10.456 3.666 1.255 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.119 4.488 1.432 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.715 3.838 2.978 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.620 5.598 2.730 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.623 5.565 -0.144 1.00 0.00 H new ATOM 0 HG22 VAL A 65 10.195 6.708 1.094 1.00 0.00 H new ATOM 0 HG23 VAL A 65 11.364 5.710 0.197 1.00 0.00 H new ATOM 992 N ALA A 66 11.516 2.556 3.493 1.00 0.00 N ATOM 993 CA ALA A 66 11.455 1.387 4.358 1.00 0.00 C ATOM 994 C ALA A 66 12.136 1.655 5.701 1.00 0.00 C ATOM 995 O ALA A 66 11.557 1.363 6.744 1.00 0.00 O ATOM 996 CB ALA A 66 12.103 0.190 3.663 1.00 0.00 C ATOM 0 H ALA A 66 11.855 2.351 2.553 1.00 0.00 H new ATOM 0 HA ALA A 66 10.407 1.162 4.555 1.00 0.00 H new ATOM 0 HB1 ALA A 66 12.053 -0.681 4.317 1.00 0.00 H new ATOM 0 HB2 ALA A 66 11.573 -0.022 2.735 1.00 0.00 H new ATOM 0 HB3 ALA A 66 13.146 0.418 3.441 1.00 0.00 H new ATOM 1002 N SER A 67 13.347 2.218 5.671 1.00 0.00 N ATOM 1003 CA SER A 67 14.129 2.526 6.859 1.00 0.00 C ATOM 1004 C SER A 67 13.538 3.711 7.618 1.00 0.00 C ATOM 1005 O SER A 67 13.465 3.680 8.842 1.00 0.00 O ATOM 1006 CB SER A 67 15.580 2.819 6.464 1.00 0.00 C ATOM 1007 OG SER A 67 16.124 1.719 5.764 1.00 0.00 O ATOM 0 H SER A 67 13.815 2.475 4.802 1.00 0.00 H new ATOM 0 HA SER A 67 14.103 1.660 7.520 1.00 0.00 H new ATOM 0 HB2 SER A 67 15.622 3.713 5.842 1.00 0.00 H new ATOM 0 HB3 SER A 67 16.174 3.023 7.355 1.00 0.00 H new ATOM 0 HG SER A 67 15.791 1.721 4.842 1.00 0.00 H new ATOM 1013 N GLU A 68 13.137 4.758 6.892 1.00 0.00 N ATOM 1014 CA GLU A 68 12.545 5.959 7.476 1.00 0.00 C ATOM 1015 C GLU A 68 11.355 5.580 8.360 1.00 0.00 C ATOM 1016 O GLU A 68 11.251 6.049 9.490 1.00 0.00 O ATOM 1017 CB GLU A 68 12.111 6.918 6.361 1.00 0.00 C ATOM 1018 CG GLU A 68 13.318 7.564 5.665 1.00 0.00 C ATOM 1019 CD GLU A 68 12.954 8.111 4.287 1.00 0.00 C ATOM 1020 OE1 GLU A 68 11.818 8.615 4.152 1.00 0.00 O ATOM 1021 OE2 GLU A 68 13.818 8.010 3.390 1.00 0.00 O ATOM 0 H GLU A 68 13.216 4.794 5.876 1.00 0.00 H new ATOM 0 HA GLU A 68 13.286 6.462 8.097 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.515 6.376 5.627 1.00 0.00 H new ATOM 0 HB3 GLU A 68 11.472 7.696 6.779 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.706 8.372 6.286 1.00 0.00 H new ATOM 0 HG3 GLU A 68 14.116 6.828 5.565 1.00 0.00 H new ATOM 1028 N TYR A 69 10.457 4.739 7.841 1.00 0.00 N ATOM 1029 CA TYR A 69 9.312 4.272 8.613 1.00 0.00 C ATOM 1030 C TYR A 69 9.728 3.144 9.565 1.00 0.00 C ATOM 1031 O TYR A 69 9.196 3.037 10.667 1.00 0.00 O ATOM 1032 CB TYR A 69 8.210 3.804 7.658 1.00 0.00 C ATOM 1033 CG TYR A 69 7.417 4.948 7.052 1.00 0.00 C ATOM 1034 CD1 TYR A 69 6.464 5.629 7.833 1.00 0.00 C ATOM 1035 CD2 TYR A 69 7.715 5.414 5.759 1.00 0.00 C ATOM 1036 CE1 TYR A 69 5.812 6.765 7.320 1.00 0.00 C ATOM 1037 CE2 TYR A 69 7.064 6.550 5.247 1.00 0.00 C ATOM 1038 CZ TYR A 69 6.101 7.216 6.023 1.00 0.00 C ATOM 1039 OH TYR A 69 5.445 8.301 5.523 1.00 0.00 O ATOM 0 H TYR A 69 10.504 4.370 6.891 1.00 0.00 H new ATOM 0 HA TYR A 69 8.928 5.093 9.219 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.658 3.217 6.857 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.529 3.143 8.195 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.233 5.279 8.828 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.447 4.897 5.157 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.088 7.291 7.925 1.00 0.00 H new ATOM 0 HE2 TYR A 69 7.304 6.910 4.258 1.00 0.00 H new ATOM 0 HH TYR A 69 5.761 8.484 4.614 1.00 0.00 H new ATOM 1049 N GLY A 70 10.659 2.293 9.134 1.00 0.00 N ATOM 1050 CA GLY A 70 11.162 1.168 9.908 1.00 0.00 C ATOM 1051 C GLY A 70 10.104 0.081 9.986 1.00 0.00 C ATOM 1052 O GLY A 70 9.722 -0.383 11.058 1.00 0.00 O ATOM 0 H GLY A 70 11.092 2.372 8.214 1.00 0.00 H new ATOM 0 HA2 GLY A 70 12.068 0.774 9.447 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.432 1.497 10.911 1.00 0.00 H new ATOM 1056 N ILE A 71 9.627 -0.307 8.810 1.00 0.00 N ATOM 1057 CA ILE A 71 8.611 -1.323 8.632 1.00 0.00 C ATOM 1058 C ILE A 71 9.028 -2.659 9.255 1.00 0.00 C ATOM 1059 O ILE A 71 10.183 -3.082 9.163 1.00 0.00 O ATOM 1060 CB ILE A 71 8.344 -1.478 7.128 1.00 0.00 C ATOM 1061 CG1 ILE A 71 9.624 -1.914 6.390 1.00 0.00 C ATOM 1062 CG2 ILE A 71 7.807 -0.152 6.572 1.00 0.00 C ATOM 1063 CD1 ILE A 71 9.425 -1.928 4.876 1.00 0.00 C ATOM 0 H ILE A 71 9.950 0.093 7.929 1.00 0.00 H new ATOM 0 HA ILE A 71 7.700 -1.014 9.144 1.00 0.00 H new ATOM 0 HB ILE A 71 7.597 -2.256 6.970 1.00 0.00 H new ATOM 0 HG12 ILE A 71 10.439 -1.236 6.644 1.00 0.00 H new ATOM 0 HG13 ILE A 71 9.918 -2.908 6.728 1.00 0.00 H new ATOM 0 HG21 ILE A 71 7.616 -0.256 5.504 1.00 0.00 H new ATOM 0 HG22 ILE A 71 6.880 0.108 7.083 1.00 0.00 H new ATOM 0 HG23 ILE A 71 8.544 0.635 6.733 1.00 0.00 H new ATOM 0 HD11 ILE A 71 10.349 -2.240 4.390 1.00 0.00 H new ATOM 0 HD12 ILE A 71 8.627 -2.625 4.620 1.00 0.00 H new ATOM 0 HD13 ILE A 71 9.156 -0.928 4.535 1.00 0.00 H new ATOM 1075 N ARG A 72 8.067 -3.365 9.854 1.00 0.00 N ATOM 1076 CA ARG A 72 8.302 -4.678 10.430 1.00 0.00 C ATOM 1077 C ARG A 72 8.288 -5.698 9.285 1.00 0.00 C ATOM 1078 O ARG A 72 7.367 -6.500 9.161 1.00 0.00 O ATOM 1079 CB ARG A 72 7.241 -4.943 11.509 1.00 0.00 C ATOM 1080 CG ARG A 72 7.491 -6.246 12.281 1.00 0.00 C ATOM 1081 CD ARG A 72 6.430 -6.424 13.371 1.00 0.00 C ATOM 1082 NE ARG A 72 6.648 -7.671 14.115 1.00 0.00 N ATOM 1083 CZ ARG A 72 5.872 -8.103 15.119 1.00 0.00 C ATOM 1084 NH1 ARG A 72 4.817 -7.383 15.515 1.00 0.00 N ATOM 1085 NH2 ARG A 72 6.160 -9.260 15.724 1.00 0.00 N ATOM 0 H ARG A 72 7.106 -3.037 9.950 1.00 0.00 H new ATOM 0 HA ARG A 72 9.270 -4.752 10.925 1.00 0.00 H new ATOM 0 HB2 ARG A 72 7.225 -4.108 12.210 1.00 0.00 H new ATOM 0 HB3 ARG A 72 6.257 -4.986 11.042 1.00 0.00 H new ATOM 0 HG2 ARG A 72 7.466 -7.094 11.596 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.484 -6.227 12.729 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.461 -5.577 14.056 1.00 0.00 H new ATOM 0 HD3 ARG A 72 5.438 -6.433 12.920 1.00 0.00 H new ATOM 0 HE ARG A 72 7.445 -8.249 13.849 1.00 0.00 H new ATOM 0 HH11 ARG A 72 4.599 -6.500 15.053 1.00 0.00 H new ATOM 0 HH12 ARG A 72 4.230 -7.717 16.280 1.00 0.00 H new ATOM 0 HH21 ARG A 72 6.966 -9.807 15.421 1.00 0.00 H new ATOM 0 HH22 ARG A 72 5.574 -9.595 16.489 1.00 0.00 H new ATOM 1099 N SER A 73 9.324 -5.654 8.442 1.00 0.00 N ATOM 1100 CA SER A 73 9.457 -6.479 7.245 1.00 0.00 C ATOM 1101 C SER A 73 8.347 -6.119 6.248 1.00 0.00 C ATOM 1102 O SER A 73 7.769 -5.032 6.314 1.00 0.00 O ATOM 1103 CB SER A 73 9.451 -7.975 7.611 1.00 0.00 C ATOM 1104 OG SER A 73 9.859 -8.751 6.497 1.00 0.00 O ATOM 0 H SER A 73 10.114 -5.024 8.581 1.00 0.00 H new ATOM 0 HA SER A 73 10.416 -6.278 6.767 1.00 0.00 H new ATOM 0 HB2 SER A 73 10.120 -8.154 8.453 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.452 -8.276 7.927 1.00 0.00 H new ATOM 0 HG SER A 73 9.854 -9.700 6.740 1.00 0.00 H new ATOM 1110 N ILE A 74 8.067 -7.023 5.306 1.00 0.00 N ATOM 1111 CA ILE A 74 7.042 -6.866 4.293 1.00 0.00 C ATOM 1112 C ILE A 74 6.341 -8.218 4.131 1.00 0.00 C ATOM 1113 O ILE A 74 6.987 -9.251 4.315 1.00 0.00 O ATOM 1114 CB ILE A 74 7.654 -6.347 2.978 1.00 0.00 C ATOM 1115 CG1 ILE A 74 8.895 -7.126 2.520 1.00 0.00 C ATOM 1116 CG2 ILE A 74 7.998 -4.862 3.146 1.00 0.00 C ATOM 1117 CD1 ILE A 74 9.268 -6.729 1.087 1.00 0.00 C ATOM 0 H ILE A 74 8.568 -7.909 5.232 1.00 0.00 H new ATOM 0 HA ILE A 74 6.305 -6.120 4.590 1.00 0.00 H new ATOM 0 HB ILE A 74 6.908 -6.493 2.197 1.00 0.00 H new ATOM 0 HG12 ILE A 74 9.730 -6.922 3.191 1.00 0.00 H new ATOM 0 HG13 ILE A 74 8.700 -8.197 2.570 1.00 0.00 H new ATOM 0 HG21 ILE A 74 8.432 -4.482 2.221 1.00 0.00 H new ATOM 0 HG22 ILE A 74 7.092 -4.303 3.378 1.00 0.00 H new ATOM 0 HG23 ILE A 74 8.715 -4.744 3.959 1.00 0.00 H new ATOM 0 HD11 ILE A 74 10.150 -7.288 0.772 1.00 0.00 H new ATOM 0 HD12 ILE A 74 8.437 -6.956 0.419 1.00 0.00 H new ATOM 0 HD13 ILE A 74 9.483 -5.661 1.050 1.00 0.00 H new ATOM 1129 N PRO A 75 5.051 -8.265 3.762 1.00 0.00 N ATOM 1130 CA PRO A 75 4.202 -7.139 3.403 1.00 0.00 C ATOM 1131 C PRO A 75 3.848 -6.234 4.581 1.00 0.00 C ATOM 1132 O PRO A 75 3.662 -6.688 5.710 1.00 0.00 O ATOM 1133 CB PRO A 75 2.938 -7.741 2.788 1.00 0.00 C ATOM 1134 CG PRO A 75 2.879 -9.145 3.389 1.00 0.00 C ATOM 1135 CD PRO A 75 4.351 -9.517 3.554 1.00 0.00 C ATOM 0 HA PRO A 75 4.737 -6.491 2.709 1.00 0.00 H new ATOM 0 HB2 PRO A 75 2.052 -7.159 3.042 1.00 0.00 H new ATOM 0 HB3 PRO A 75 2.998 -7.773 1.700 1.00 0.00 H new ATOM 0 HG2 PRO A 75 2.353 -9.153 4.343 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.359 -9.842 2.732 1.00 0.00 H new ATOM 0 HD2 PRO A 75 4.492 -10.190 4.400 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.726 -10.033 2.670 1.00 0.00 H new ATOM 1143 N THR A 76 3.794 -4.943 4.259 1.00 0.00 N ATOM 1144 CA THR A 76 3.418 -3.857 5.141 1.00 0.00 C ATOM 1145 C THR A 76 2.576 -2.919 4.279 1.00 0.00 C ATOM 1146 O THR A 76 3.089 -2.303 3.345 1.00 0.00 O ATOM 1147 CB THR A 76 4.652 -3.173 5.760 1.00 0.00 C ATOM 1148 OG1 THR A 76 5.225 -4.015 6.742 1.00 0.00 O ATOM 1149 CG2 THR A 76 4.266 -1.863 6.455 1.00 0.00 C ATOM 0 H THR A 76 4.026 -4.616 3.321 1.00 0.00 H new ATOM 0 HA THR A 76 2.849 -4.202 6.004 1.00 0.00 H new ATOM 0 HB THR A 76 5.355 -2.973 4.951 1.00 0.00 H new ATOM 0 HG1 THR A 76 6.118 -4.295 6.452 1.00 0.00 H new ATOM 0 HG21 THR A 76 5.156 -1.402 6.883 1.00 0.00 H new ATOM 0 HG22 THR A 76 3.819 -1.184 5.729 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.548 -2.070 7.248 1.00 0.00 H new ATOM 1157 N ILE A 77 1.277 -2.862 4.555 1.00 0.00 N ATOM 1158 CA ILE A 77 0.332 -2.000 3.877 1.00 0.00 C ATOM 1159 C ILE A 77 0.233 -0.728 4.711 1.00 0.00 C ATOM 1160 O ILE A 77 0.136 -0.828 5.932 1.00 0.00 O ATOM 1161 CB ILE A 77 -1.026 -2.715 3.748 1.00 0.00 C ATOM 1162 CG1 ILE A 77 -0.875 -3.937 2.821 1.00 0.00 C ATOM 1163 CG2 ILE A 77 -2.075 -1.744 3.188 1.00 0.00 C ATOM 1164 CD1 ILE A 77 -2.105 -4.852 2.822 1.00 0.00 C ATOM 0 H ILE A 77 0.846 -3.435 5.280 1.00 0.00 H new ATOM 0 HA ILE A 77 0.652 -1.755 2.864 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.356 -3.053 4.730 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.688 -3.592 1.804 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.002 -4.512 3.129 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.033 -2.255 3.099 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.179 -0.893 3.861 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.758 -1.393 2.206 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.934 -5.693 2.149 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.280 -5.225 3.831 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.977 -4.290 2.486 1.00 0.00 H new ATOM 1176 N MET A 78 0.280 0.449 4.085 1.00 0.00 N ATOM 1177 CA MET A 78 0.127 1.742 4.739 1.00 0.00 C ATOM 1178 C MET A 78 -0.997 2.509 4.057 1.00 0.00 C ATOM 1179 O MET A 78 -0.991 2.653 2.835 1.00 0.00 O ATOM 1180 CB MET A 78 1.408 2.570 4.636 1.00 0.00 C ATOM 1181 CG MET A 78 2.552 1.997 5.464 1.00 0.00 C ATOM 1182 SD MET A 78 3.985 3.093 5.577 1.00 0.00 S ATOM 1183 CE MET A 78 5.162 1.941 6.305 1.00 0.00 C ATOM 0 H MET A 78 0.430 0.527 3.079 1.00 0.00 H new ATOM 0 HA MET A 78 -0.096 1.569 5.792 1.00 0.00 H new ATOM 0 HB2 MET A 78 1.715 2.627 3.592 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.203 3.589 4.964 1.00 0.00 H new ATOM 0 HG2 MET A 78 2.189 1.782 6.469 1.00 0.00 H new ATOM 0 HG3 MET A 78 2.865 1.048 5.028 1.00 0.00 H new ATOM 0 HE1 MET A 78 6.165 2.366 6.256 1.00 0.00 H new ATOM 0 HE2 MET A 78 4.896 1.758 7.346 1.00 0.00 H new ATOM 0 HE3 MET A 78 5.139 1.001 5.754 1.00 0.00 H new ATOM 1193 N VAL A 79 -1.947 3.003 4.846 1.00 0.00 N ATOM 1194 CA VAL A 79 -3.039 3.836 4.367 1.00 0.00 C ATOM 1195 C VAL A 79 -2.665 5.283 4.647 1.00 0.00 C ATOM 1196 O VAL A 79 -2.298 5.600 5.779 1.00 0.00 O ATOM 1197 CB VAL A 79 -4.359 3.509 5.088 1.00 0.00 C ATOM 1198 CG1 VAL A 79 -5.446 4.545 4.736 1.00 0.00 C ATOM 1199 CG2 VAL A 79 -4.840 2.098 4.726 1.00 0.00 C ATOM 0 H VAL A 79 -1.978 2.832 5.851 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.190 3.656 3.303 1.00 0.00 H new ATOM 0 HB VAL A 79 -4.174 3.550 6.161 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.370 4.294 5.257 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.115 5.538 5.042 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.622 4.537 3.660 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.774 1.887 5.246 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.002 2.034 3.650 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.086 1.369 5.024 1.00 0.00 H new ATOM 1209 N PHE A 80 -2.808 6.148 3.643 1.00 0.00 N ATOM 1210 CA PHE A 80 -2.632 7.584 3.770 1.00 0.00 C ATOM 1211 C PHE A 80 -3.966 8.204 3.381 1.00 0.00 C ATOM 1212 O PHE A 80 -4.566 7.808 2.387 1.00 0.00 O ATOM 1213 CB PHE A 80 -1.491 8.112 2.888 1.00 0.00 C ATOM 1214 CG PHE A 80 -0.129 7.489 3.137 1.00 0.00 C ATOM 1215 CD1 PHE A 80 0.130 6.170 2.718 1.00 0.00 C ATOM 1216 CD2 PHE A 80 0.910 8.254 3.702 1.00 0.00 C ATOM 1217 CE1 PHE A 80 1.395 5.598 2.931 1.00 0.00 C ATOM 1218 CE2 PHE A 80 2.171 7.674 3.931 1.00 0.00 C ATOM 1219 CZ PHE A 80 2.403 6.335 3.575 1.00 0.00 C ATOM 0 H PHE A 80 -3.056 5.856 2.698 1.00 0.00 H new ATOM 0 HA PHE A 80 -2.349 7.848 4.789 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -1.759 7.952 1.844 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -1.411 9.189 3.035 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -0.646 5.597 2.232 1.00 0.00 H new ATOM 0 HD2 PHE A 80 0.738 9.289 3.960 1.00 0.00 H new ATOM 0 HE1 PHE A 80 1.593 4.590 2.599 1.00 0.00 H new ATOM 0 HE2 PHE A 80 2.961 8.258 4.380 1.00 0.00 H new ATOM 0 HZ PHE A 80 3.354 5.873 3.796 1.00 0.00 H new ATOM 1229 N LYS A 81 -4.435 9.163 4.174 1.00 0.00 N ATOM 1230 CA LYS A 81 -5.714 9.850 3.966 1.00 0.00 C ATOM 1231 C LYS A 81 -5.485 11.257 3.405 1.00 0.00 C ATOM 1232 O LYS A 81 -6.306 12.153 3.601 1.00 0.00 O ATOM 1233 CB LYS A 81 -6.508 9.863 5.288 1.00 0.00 C ATOM 1234 CG LYS A 81 -6.059 10.877 6.355 1.00 0.00 C ATOM 1235 CD LYS A 81 -4.549 10.866 6.610 1.00 0.00 C ATOM 1236 CE LYS A 81 -4.133 11.880 7.677 1.00 0.00 C ATOM 1237 NZ LYS A 81 -4.246 13.259 7.169 1.00 0.00 N ATOM 0 H LYS A 81 -3.930 9.494 4.996 1.00 0.00 H new ATOM 0 HA LYS A 81 -6.307 9.313 3.225 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.555 10.057 5.054 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.458 8.865 5.724 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -6.360 11.877 6.044 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.579 10.664 7.289 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -4.243 9.867 6.922 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -4.024 11.085 5.680 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -4.761 11.762 8.560 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.106 11.686 7.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -3.772 13.911 7.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -3.795 13.322 6.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.250 13.518 7.088 1.00 0.00 H new ATOM 1251 N GLY A 82 -4.348 11.439 2.724 1.00 0.00 N ATOM 1252 CA GLY A 82 -3.893 12.714 2.205 1.00 0.00 C ATOM 1253 C GLY A 82 -2.769 13.236 3.098 1.00 0.00 C ATOM 1254 O GLY A 82 -2.945 13.353 4.314 1.00 0.00 O ATOM 0 H GLY A 82 -3.706 10.673 2.518 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -3.539 12.600 1.180 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.717 13.427 2.180 1.00 0.00 H new ATOM 1258 N GLY A 83 -1.592 13.510 2.526 1.00 0.00 N ATOM 1259 CA GLY A 83 -0.464 14.069 3.257 1.00 0.00 C ATOM 1260 C GLY A 83 0.274 13.042 4.108 1.00 0.00 C ATOM 1261 O GLY A 83 1.450 12.771 3.871 1.00 0.00 O ATOM 0 H GLY A 83 -1.400 13.347 1.538 1.00 0.00 H new ATOM 0 HA2 GLY A 83 0.235 14.512 2.548 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.820 14.874 3.900 1.00 0.00 H new ATOM 1265 N LYS A 84 -0.408 12.505 5.121 1.00 0.00 N ATOM 1266 CA LYS A 84 0.165 11.594 6.104 1.00 0.00 C ATOM 1267 C LYS A 84 -0.635 10.294 6.213 1.00 0.00 C ATOM 1268 O LYS A 84 -1.696 10.131 5.604 1.00 0.00 O ATOM 1269 CB LYS A 84 0.236 12.312 7.463 1.00 0.00 C ATOM 1270 CG LYS A 84 1.064 13.607 7.439 1.00 0.00 C ATOM 1271 CD LYS A 84 2.551 13.343 7.156 1.00 0.00 C ATOM 1272 CE LYS A 84 3.379 14.632 7.221 1.00 0.00 C ATOM 1273 NZ LYS A 84 3.013 15.572 6.147 1.00 0.00 N ATOM 0 H LYS A 84 -1.397 12.698 5.281 1.00 0.00 H new ATOM 0 HA LYS A 84 1.168 11.315 5.781 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.776 12.545 7.793 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.663 11.632 8.200 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.665 14.277 6.677 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.964 14.118 8.397 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.937 12.626 7.880 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.659 12.891 6.170 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.231 15.111 8.189 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.439 14.388 7.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.661 16.385 6.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.081 15.092 5.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.038 15.904 6.293 1.00 0.00 H new ATOM 1287 N LYS A 85 -0.073 9.359 6.985 1.00 0.00 N ATOM 1288 CA LYS A 85 -0.650 8.052 7.237 1.00 0.00 C ATOM 1289 C LYS A 85 -1.932 8.164 8.063 1.00 0.00 C ATOM 1290 O LYS A 85 -2.212 9.191 8.678 1.00 0.00 O ATOM 1291 CB LYS A 85 0.352 7.168 7.991 1.00 0.00 C ATOM 1292 CG LYS A 85 1.518 6.744 7.095 1.00 0.00 C ATOM 1293 CD LYS A 85 2.531 5.872 7.847 1.00 0.00 C ATOM 1294 CE LYS A 85 1.937 4.555 8.358 1.00 0.00 C ATOM 1295 NZ LYS A 85 2.985 3.697 8.938 1.00 0.00 N ATOM 0 H LYS A 85 0.818 9.502 7.460 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.889 7.604 6.272 1.00 0.00 H new ATOM 0 HB2 LYS A 85 0.736 7.709 8.856 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.157 6.282 8.369 1.00 0.00 H new ATOM 0 HG2 LYS A 85 1.134 6.195 6.235 1.00 0.00 H new ATOM 0 HG3 LYS A 85 2.020 7.631 6.708 1.00 0.00 H new ATOM 0 HD2 LYS A 85 3.371 5.652 7.188 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.928 6.435 8.692 1.00 0.00 H new ATOM 0 HE2 LYS A 85 1.174 4.762 9.108 1.00 0.00 H new ATOM 0 HE3 LYS A 85 1.444 4.031 7.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.564 3.071 9.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.418 3.122 8.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.713 4.291 9.383 1.00 0.00 H new ATOM 1309 N CYS A 86 -2.691 7.070 8.075 1.00 0.00 N ATOM 1310 CA CYS A 86 -3.910 6.888 8.848 1.00 0.00 C ATOM 1311 C CYS A 86 -3.806 5.584 9.630 1.00 0.00 C ATOM 1312 O CYS A 86 -3.889 5.572 10.855 1.00 0.00 O ATOM 1313 CB CYS A 86 -5.110 6.830 7.906 1.00 0.00 C ATOM 1314 SG CYS A 86 -6.614 6.646 8.886 1.00 0.00 S ATOM 0 H CYS A 86 -2.458 6.248 7.517 1.00 0.00 H new ATOM 0 HA CYS A 86 -4.040 7.722 9.537 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -5.161 7.737 7.304 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -5.006 5.994 7.214 1.00 0.00 H new ATOM 0 HG CYS A 86 -7.644 6.597 8.095 1.00 0.00 H new ATOM 1320 N GLU A 87 -3.595 4.490 8.893 1.00 0.00 N ATOM 1321 CA GLU A 87 -3.485 3.131 9.406 1.00 0.00 C ATOM 1322 C GLU A 87 -2.379 2.384 8.657 1.00 0.00 C ATOM 1323 O GLU A 87 -1.857 2.881 7.659 1.00 0.00 O ATOM 1324 CB GLU A 87 -4.829 2.417 9.200 1.00 0.00 C ATOM 1325 CG GLU A 87 -5.936 2.949 10.122 1.00 0.00 C ATOM 1326 CD GLU A 87 -5.745 2.534 11.579 1.00 0.00 C ATOM 1327 OE1 GLU A 87 -5.418 1.344 11.794 1.00 0.00 O ATOM 1328 OE2 GLU A 87 -5.954 3.400 12.455 1.00 0.00 O ATOM 0 H GLU A 87 -3.492 4.534 7.879 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.237 3.153 10.467 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -5.141 2.533 8.162 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.698 1.349 9.376 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.962 4.037 10.060 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.901 2.586 9.769 1.00 0.00 H new ATOM 1335 N THR A 88 -2.027 1.184 9.124 1.00 0.00 N ATOM 1336 CA THR A 88 -1.041 0.323 8.492 1.00 0.00 C ATOM 1337 C THR A 88 -1.273 -1.103 8.997 1.00 0.00 C ATOM 1338 O THR A 88 -1.744 -1.268 10.120 1.00 0.00 O ATOM 1339 CB THR A 88 0.384 0.839 8.783 1.00 0.00 C ATOM 1340 OG1 THR A 88 1.365 -0.013 8.228 1.00 0.00 O ATOM 1341 CG2 THR A 88 0.668 0.956 10.286 1.00 0.00 C ATOM 0 H THR A 88 -2.431 0.781 9.969 1.00 0.00 H new ATOM 0 HA THR A 88 -1.147 0.329 7.407 1.00 0.00 H new ATOM 0 HB THR A 88 0.434 1.827 8.326 1.00 0.00 H new ATOM 0 HG1 THR A 88 1.025 -0.406 7.397 1.00 0.00 H new ATOM 0 HG21 THR A 88 1.683 1.323 10.437 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.040 1.651 10.737 1.00 0.00 H new ATOM 0 HG23 THR A 88 0.563 -0.023 10.753 1.00 0.00 H new ATOM 1349 N ILE A 89 -1.007 -2.117 8.173 1.00 0.00 N ATOM 1350 CA ILE A 89 -1.152 -3.528 8.514 1.00 0.00 C ATOM 1351 C ILE A 89 0.131 -4.212 8.063 1.00 0.00 C ATOM 1352 O ILE A 89 0.755 -3.750 7.113 1.00 0.00 O ATOM 1353 CB ILE A 89 -2.394 -4.124 7.823 1.00 0.00 C ATOM 1354 CG1 ILE A 89 -3.697 -3.506 8.361 1.00 0.00 C ATOM 1355 CG2 ILE A 89 -2.455 -5.653 7.977 1.00 0.00 C ATOM 1356 CD1 ILE A 89 -4.011 -3.816 9.831 1.00 0.00 C ATOM 0 H ILE A 89 -0.674 -1.972 7.220 1.00 0.00 H new ATOM 0 HA ILE A 89 -1.301 -3.671 9.584 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.299 -3.881 6.765 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -3.645 -2.424 8.238 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -4.527 -3.857 7.747 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.345 -6.034 7.476 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.567 -6.100 7.529 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.496 -5.911 9.035 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -4.948 -3.335 10.112 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -4.102 -4.894 9.964 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -3.206 -3.439 10.462 1.00 0.00 H new ATOM 1368 N ILE A 90 0.528 -5.288 8.744 1.00 0.00 N ATOM 1369 CA ILE A 90 1.743 -6.037 8.460 1.00 0.00 C ATOM 1370 C ILE A 90 1.379 -7.516 8.370 1.00 0.00 C ATOM 1371 O ILE A 90 0.505 -7.977 9.105 1.00 0.00 O ATOM 1372 CB ILE A 90 2.794 -5.779 9.563 1.00 0.00 C ATOM 1373 CG1 ILE A 90 3.180 -4.287 9.638 1.00 0.00 C ATOM 1374 CG2 ILE A 90 4.069 -6.592 9.291 1.00 0.00 C ATOM 1375 CD1 ILE A 90 2.392 -3.515 10.702 1.00 0.00 C ATOM 0 H ILE A 90 -0.003 -5.669 9.527 1.00 0.00 H new ATOM 0 HA ILE A 90 2.181 -5.717 7.514 1.00 0.00 H new ATOM 0 HB ILE A 90 2.345 -6.083 10.509 1.00 0.00 H new ATOM 0 HG12 ILE A 90 4.246 -4.204 9.852 1.00 0.00 H new ATOM 0 HG13 ILE A 90 3.013 -3.825 8.665 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.799 -6.398 10.077 1.00 0.00 H new ATOM 0 HG22 ILE A 90 3.826 -7.655 9.275 1.00 0.00 H new ATOM 0 HG23 ILE A 90 4.488 -6.301 8.328 1.00 0.00 H new ATOM 0 HD11 ILE A 90 2.710 -2.472 10.705 1.00 0.00 H new ATOM 0 HD12 ILE A 90 1.327 -3.569 10.477 1.00 0.00 H new ATOM 0 HD13 ILE A 90 2.578 -3.954 11.682 1.00 0.00 H new ATOM 1387 N GLY A 91 2.051 -8.251 7.481 1.00 0.00 N ATOM 1388 CA GLY A 91 1.859 -9.683 7.321 1.00 0.00 C ATOM 1389 C GLY A 91 0.737 -10.018 6.340 1.00 0.00 C ATOM 1390 O GLY A 91 -0.083 -9.173 5.986 1.00 0.00 O ATOM 0 H GLY A 91 2.749 -7.859 6.849 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.788 -10.134 6.973 1.00 0.00 H new ATOM 0 HA3 GLY A 91 1.633 -10.126 8.291 1.00 0.00 H new ATOM 1394 N ALA A 92 0.739 -11.266 5.865 1.00 0.00 N ATOM 1395 CA ALA A 92 -0.244 -11.767 4.919 1.00 0.00 C ATOM 1396 C ALA A 92 -1.566 -12.063 5.626 1.00 0.00 C ATOM 1397 O ALA A 92 -1.568 -12.741 6.651 1.00 0.00 O ATOM 1398 CB ALA A 92 0.298 -13.049 4.280 1.00 0.00 C ATOM 0 H ALA A 92 1.435 -11.961 6.134 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.426 -11.013 4.153 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -0.430 -13.436 3.567 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.232 -12.831 3.762 1.00 0.00 H new ATOM 0 HB3 ALA A 92 0.478 -13.794 5.055 1.00 0.00 H new ATOM 1404 N VAL A 93 -2.683 -11.579 5.072 1.00 0.00 N ATOM 1405 CA VAL A 93 -4.032 -11.849 5.552 1.00 0.00 C ATOM 1406 C VAL A 93 -4.925 -11.962 4.304 1.00 0.00 C ATOM 1407 O VAL A 93 -4.598 -11.335 3.295 1.00 0.00 O ATOM 1408 CB VAL A 93 -4.518 -10.750 6.520 1.00 0.00 C ATOM 1409 CG1 VAL A 93 -3.601 -10.609 7.742 1.00 0.00 C ATOM 1410 CG2 VAL A 93 -4.673 -9.382 5.846 1.00 0.00 C ATOM 0 H VAL A 93 -2.667 -10.971 4.253 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.066 -12.774 6.128 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.503 -11.080 6.849 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.983 -9.824 8.395 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.573 -11.553 8.287 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.594 -10.350 7.414 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.017 -8.652 6.579 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.712 -9.065 5.442 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -5.400 -9.455 5.037 1.00 0.00 H new ATOM 1420 N PRO A 94 -6.005 -12.763 4.316 1.00 0.00 N ATOM 1421 CA PRO A 94 -6.877 -12.926 3.159 1.00 0.00 C ATOM 1422 C PRO A 94 -7.495 -11.619 2.656 1.00 0.00 C ATOM 1423 O PRO A 94 -7.705 -10.684 3.427 1.00 0.00 O ATOM 1424 CB PRO A 94 -7.995 -13.870 3.609 1.00 0.00 C ATOM 1425 CG PRO A 94 -7.346 -14.685 4.725 1.00 0.00 C ATOM 1426 CD PRO A 94 -6.393 -13.683 5.377 1.00 0.00 C ATOM 0 HA PRO A 94 -6.288 -13.309 2.325 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -8.865 -13.320 3.968 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -8.335 -14.507 2.793 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -8.085 -15.058 5.434 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -6.814 -15.552 4.334 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -6.881 -13.154 6.196 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.522 -14.187 5.797 1.00 0.00 H new ATOM 1434 N LYS A 95 -7.861 -11.602 1.368 1.00 0.00 N ATOM 1435 CA LYS A 95 -8.525 -10.493 0.693 1.00 0.00 C ATOM 1436 C LYS A 95 -9.666 -9.973 1.557 1.00 0.00 C ATOM 1437 O LYS A 95 -9.761 -8.782 1.825 1.00 0.00 O ATOM 1438 CB LYS A 95 -9.095 -10.981 -0.650 1.00 0.00 C ATOM 1439 CG LYS A 95 -9.716 -9.829 -1.456 1.00 0.00 C ATOM 1440 CD LYS A 95 -10.441 -10.334 -2.707 1.00 0.00 C ATOM 1441 CE LYS A 95 -11.174 -9.163 -3.374 1.00 0.00 C ATOM 1442 NZ LYS A 95 -11.954 -9.601 -4.544 1.00 0.00 N ATOM 0 H LYS A 95 -7.693 -12.395 0.748 1.00 0.00 H new ATOM 0 HA LYS A 95 -7.804 -9.694 0.522 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -8.302 -11.448 -1.234 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.850 -11.746 -0.469 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -10.417 -9.282 -0.826 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -8.935 -9.127 -1.748 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -9.727 -10.775 -3.402 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -11.150 -11.117 -2.439 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -11.838 -8.691 -2.650 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -10.450 -8.409 -3.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.540 -8.813 -4.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -11.306 -9.904 -5.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.567 -10.396 -4.274 1.00 0.00 H new ATOM 1456 N ALA A 96 -10.540 -10.887 1.976 1.00 0.00 N ATOM 1457 CA ALA A 96 -11.684 -10.571 2.818 1.00 0.00 C ATOM 1458 C ALA A 96 -11.250 -9.737 4.026 1.00 0.00 C ATOM 1459 O ALA A 96 -11.898 -8.748 4.372 1.00 0.00 O ATOM 1460 CB ALA A 96 -12.354 -11.871 3.273 1.00 0.00 C ATOM 0 H ALA A 96 -10.470 -11.876 1.736 1.00 0.00 H new ATOM 0 HA ALA A 96 -12.399 -9.982 2.244 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -13.211 -11.637 3.904 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -12.688 -12.433 2.401 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -11.640 -12.470 3.839 1.00 0.00 H new ATOM 1466 N THR A 97 -10.164 -10.143 4.685 1.00 0.00 N ATOM 1467 CA THR A 97 -9.635 -9.443 5.838 1.00 0.00 C ATOM 1468 C THR A 97 -9.123 -8.070 5.404 1.00 0.00 C ATOM 1469 O THR A 97 -9.482 -7.074 6.029 1.00 0.00 O ATOM 1470 CB THR A 97 -8.535 -10.296 6.485 1.00 0.00 C ATOM 1471 OG1 THR A 97 -8.969 -11.641 6.538 1.00 0.00 O ATOM 1472 CG2 THR A 97 -8.221 -9.812 7.903 1.00 0.00 C ATOM 0 H THR A 97 -9.629 -10.972 4.426 1.00 0.00 H new ATOM 0 HA THR A 97 -10.413 -9.284 6.584 1.00 0.00 H new ATOM 0 HB THR A 97 -7.629 -10.208 5.885 1.00 0.00 H new ATOM 0 HG1 THR A 97 -8.563 -12.085 7.312 1.00 0.00 H new ATOM 0 HG21 THR A 97 -7.438 -10.435 8.335 1.00 0.00 H new ATOM 0 HG22 THR A 97 -7.882 -8.777 7.867 1.00 0.00 H new ATOM 0 HG23 THR A 97 -9.119 -9.879 8.517 1.00 0.00 H new ATOM 1480 N ILE A 98 -8.312 -8.006 4.339 1.00 0.00 N ATOM 1481 CA ILE A 98 -7.777 -6.743 3.830 1.00 0.00 C ATOM 1482 C ILE A 98 -8.938 -5.769 3.590 1.00 0.00 C ATOM 1483 O ILE A 98 -8.982 -4.692 4.180 1.00 0.00 O ATOM 1484 CB ILE A 98 -6.947 -6.956 2.539 1.00 0.00 C ATOM 1485 CG1 ILE A 98 -5.735 -7.866 2.801 1.00 0.00 C ATOM 1486 CG2 ILE A 98 -6.454 -5.594 2.017 1.00 0.00 C ATOM 1487 CD1 ILE A 98 -4.858 -8.109 1.568 1.00 0.00 C ATOM 0 H ILE A 98 -8.012 -8.825 3.811 1.00 0.00 H new ATOM 0 HA ILE A 98 -7.099 -6.320 4.571 1.00 0.00 H new ATOM 0 HB ILE A 98 -7.586 -7.436 1.798 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -5.124 -7.422 3.587 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -6.089 -8.826 3.177 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -5.870 -5.742 1.109 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -7.311 -4.957 1.798 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -5.832 -5.117 2.775 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -4.026 -8.760 1.836 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -5.452 -8.583 0.787 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -4.472 -7.157 1.203 1.00 0.00 H new ATOM 1499 N VAL A 99 -9.885 -6.160 2.736 1.00 0.00 N ATOM 1500 CA VAL A 99 -11.043 -5.365 2.363 1.00 0.00 C ATOM 1501 C VAL A 99 -11.781 -4.885 3.611 1.00 0.00 C ATOM 1502 O VAL A 99 -11.976 -3.683 3.767 1.00 0.00 O ATOM 1503 CB VAL A 99 -11.952 -6.187 1.432 1.00 0.00 C ATOM 1504 CG1 VAL A 99 -13.292 -5.480 1.192 1.00 0.00 C ATOM 1505 CG2 VAL A 99 -11.268 -6.390 0.072 1.00 0.00 C ATOM 0 H VAL A 99 -9.861 -7.069 2.273 1.00 0.00 H new ATOM 0 HA VAL A 99 -10.722 -4.476 1.820 1.00 0.00 H new ATOM 0 HB VAL A 99 -12.133 -7.146 1.918 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -13.910 -6.087 0.531 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -13.806 -5.342 2.143 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -13.113 -4.508 0.731 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -11.919 -6.973 -0.579 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -11.072 -5.420 -0.385 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -10.327 -6.922 0.214 1.00 0.00 H new ATOM 1515 N GLN A 100 -12.188 -5.796 4.502 1.00 0.00 N ATOM 1516 CA GLN A 100 -12.905 -5.405 5.713 1.00 0.00 C ATOM 1517 C GLN A 100 -12.097 -4.390 6.524 1.00 0.00 C ATOM 1518 O GLN A 100 -12.633 -3.366 6.947 1.00 0.00 O ATOM 1519 CB GLN A 100 -13.210 -6.644 6.557 1.00 0.00 C ATOM 1520 CG GLN A 100 -14.376 -7.427 5.944 1.00 0.00 C ATOM 1521 CD GLN A 100 -14.564 -8.769 6.637 1.00 0.00 C ATOM 1522 OE1 GLN A 100 -15.529 -8.985 7.360 1.00 0.00 O ATOM 1523 NE2 GLN A 100 -13.628 -9.683 6.416 1.00 0.00 N ATOM 0 H GLN A 100 -12.033 -6.800 4.406 1.00 0.00 H new ATOM 0 HA GLN A 100 -13.843 -4.931 5.424 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -12.326 -7.280 6.616 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -13.457 -6.347 7.576 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -15.292 -6.842 6.024 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -14.192 -7.586 4.882 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -12.838 -9.467 5.808 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -13.698 -10.601 6.854 1.00 0.00 H new ATOM 1532 N THR A 101 -10.810 -4.674 6.729 1.00 0.00 N ATOM 1533 CA THR A 101 -9.919 -3.810 7.495 1.00 0.00 C ATOM 1534 C THR A 101 -9.833 -2.422 6.854 1.00 0.00 C ATOM 1535 O THR A 101 -9.858 -1.423 7.565 1.00 0.00 O ATOM 1536 CB THR A 101 -8.541 -4.473 7.626 1.00 0.00 C ATOM 1537 OG1 THR A 101 -8.687 -5.731 8.252 1.00 0.00 O ATOM 1538 CG2 THR A 101 -7.589 -3.638 8.482 1.00 0.00 C ATOM 0 H THR A 101 -10.358 -5.513 6.366 1.00 0.00 H new ATOM 0 HA THR A 101 -10.320 -3.672 8.499 1.00 0.00 H new ATOM 0 HB THR A 101 -8.127 -4.569 6.622 1.00 0.00 H new ATOM 0 HG1 THR A 101 -8.859 -6.416 7.573 1.00 0.00 H new ATOM 0 HG21 THR A 101 -6.625 -4.141 8.550 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.455 -2.657 8.026 1.00 0.00 H new ATOM 0 HG23 THR A 101 -8.008 -3.519 9.481 1.00 0.00 H new ATOM 1546 N VAL A 102 -9.735 -2.336 5.525 1.00 0.00 N ATOM 1547 CA VAL A 102 -9.720 -1.047 4.847 1.00 0.00 C ATOM 1548 C VAL A 102 -11.064 -0.356 5.076 1.00 0.00 C ATOM 1549 O VAL A 102 -11.114 0.751 5.610 1.00 0.00 O ATOM 1550 CB VAL A 102 -9.409 -1.244 3.351 1.00 0.00 C ATOM 1551 CG1 VAL A 102 -9.630 0.040 2.540 1.00 0.00 C ATOM 1552 CG2 VAL A 102 -7.948 -1.673 3.170 1.00 0.00 C ATOM 0 H VAL A 102 -9.665 -3.142 4.904 1.00 0.00 H new ATOM 0 HA VAL A 102 -8.936 -0.408 5.253 1.00 0.00 H new ATOM 0 HB VAL A 102 -10.090 -2.013 2.987 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -9.398 -0.147 1.492 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -10.670 0.354 2.631 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -8.979 0.827 2.920 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -7.738 -1.810 2.109 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -7.290 -0.904 3.574 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -7.776 -2.611 3.698 1.00 0.00 H new ATOM 1562 N GLU A 103 -12.146 -1.031 4.684 1.00 0.00 N ATOM 1563 CA GLU A 103 -13.510 -0.541 4.775 1.00 0.00 C ATOM 1564 C GLU A 103 -13.781 0.094 6.131 1.00 0.00 C ATOM 1565 O GLU A 103 -14.075 1.281 6.185 1.00 0.00 O ATOM 1566 CB GLU A 103 -14.488 -1.691 4.501 1.00 0.00 C ATOM 1567 CG GLU A 103 -14.559 -2.057 3.011 1.00 0.00 C ATOM 1568 CD GLU A 103 -15.573 -1.215 2.239 1.00 0.00 C ATOM 1569 OE1 GLU A 103 -15.699 -0.011 2.555 1.00 0.00 O ATOM 1570 OE2 GLU A 103 -16.209 -1.798 1.332 1.00 0.00 O ATOM 0 H GLU A 103 -12.087 -1.966 4.281 1.00 0.00 H new ATOM 0 HA GLU A 103 -13.653 0.234 4.022 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -14.184 -2.567 5.073 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -15.481 -1.411 4.851 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -13.573 -1.930 2.564 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -14.820 -3.111 2.913 1.00 0.00 H new ATOM 1577 N LYS A 104 -13.609 -0.665 7.213 1.00 0.00 N ATOM 1578 CA LYS A 104 -13.914 -0.189 8.561 1.00 0.00 C ATOM 1579 C LYS A 104 -13.134 1.078 8.955 1.00 0.00 C ATOM 1580 O LYS A 104 -13.530 1.748 9.906 1.00 0.00 O ATOM 1581 CB LYS A 104 -13.755 -1.337 9.576 1.00 0.00 C ATOM 1582 CG LYS A 104 -12.342 -1.913 9.712 1.00 0.00 C ATOM 1583 CD LYS A 104 -11.472 -1.228 10.773 1.00 0.00 C ATOM 1584 CE LYS A 104 -11.869 -1.620 12.200 1.00 0.00 C ATOM 1585 NZ LYS A 104 -10.970 -0.999 13.189 1.00 0.00 N ATOM 0 H LYS A 104 -13.256 -1.622 7.180 1.00 0.00 H new ATOM 0 HA LYS A 104 -14.957 0.127 8.570 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -14.077 -0.980 10.554 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -14.431 -2.144 9.293 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -12.418 -2.973 9.953 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -11.840 -1.840 8.747 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -10.427 -1.489 10.605 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -11.552 -0.147 10.661 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -12.896 -1.311 12.393 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -11.837 -2.704 12.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -11.261 -1.280 14.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -9.994 -1.314 13.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -11.020 0.036 13.102 1.00 0.00 H new ATOM 1599 N TYR A 105 -12.028 1.423 8.278 1.00 0.00 N ATOM 1600 CA TYR A 105 -11.321 2.669 8.568 1.00 0.00 C ATOM 1601 C TYR A 105 -12.013 3.857 7.887 1.00 0.00 C ATOM 1602 O TYR A 105 -11.838 4.996 8.315 1.00 0.00 O ATOM 1603 CB TYR A 105 -9.861 2.592 8.095 1.00 0.00 C ATOM 1604 CG TYR A 105 -9.032 1.434 8.612 1.00 0.00 C ATOM 1605 CD1 TYR A 105 -9.084 1.074 9.973 1.00 0.00 C ATOM 1606 CD2 TYR A 105 -8.019 0.902 7.792 1.00 0.00 C ATOM 1607 CE1 TYR A 105 -8.121 0.204 10.511 1.00 0.00 C ATOM 1608 CE2 TYR A 105 -7.061 0.025 8.329 1.00 0.00 C ATOM 1609 CZ TYR A 105 -7.096 -0.299 9.694 1.00 0.00 C ATOM 1610 OH TYR A 105 -6.004 -0.875 10.267 1.00 0.00 O ATOM 0 H TYR A 105 -11.612 0.861 7.536 1.00 0.00 H new ATOM 0 HA TYR A 105 -11.339 2.815 9.648 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -9.859 2.550 7.006 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -9.363 3.519 8.379 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -9.866 1.468 10.605 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -7.978 1.169 6.746 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -8.169 -0.078 11.552 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -6.299 -0.399 7.692 1.00 0.00 H new ATOM 0 HH TYR A 105 -5.601 -0.249 10.904 1.00 0.00 H new