USER MOD reduce.3.24.130724 H: found=0, std=0, add=762, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 762 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 31 SER OG : rot -157:sc= 0.0882 USER MOD Set 1.2: A 60 TYR OH : rot 180:sc= 0.0867 USER MOD Set 2.1: A 15 ASN : amide:sc= 0.398 K(o=0.36,f=-5.3!) USER MOD Set 2.2: A 43 CYS SG : rot 180:sc= -0.0378 USER MOD Set 3.1: A 16 SER OG : rot 79:sc= 2.28 USER MOD Set 3.2: A 72 LYS NZ :NH3+ 168:sc= 2.45 (180deg=1.18) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -118:sc= 0.749 (180deg=0.0727) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.23) USER MOD Single : A 7 LYS NZ :NH3+ -170:sc= -0.367 (180deg=-0.707) USER MOD Single : A 11 SER OG : rot -99:sc= 1.32 USER MOD Single : A 13 ASN : amide:sc= 0.415 K(o=0.41,f=-3.6!) USER MOD Single : A 17 TYR OH : rot 150:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -164:sc= -0.0266 (180deg=-0.257) USER MOD Single : A 21 SER OG : rot 180:sc= 0.0376 USER MOD Single : A 23 LYS NZ :NH3+ -141:sc= 1.25 (180deg=0.703) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -1.28 K(o=-1.3,f=-2.3) USER MOD Single : A 30 LYS NZ :NH3+ 156:sc= 1.16 (180deg=0.691) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.0491 X(o=-0.049,f=-0.18) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.00322 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 159:sc= -0.166 (180deg=-0.758) USER MOD Single : A 53 LYS NZ :NH3+ 168:sc= -0.078 (180deg=-0.379) USER MOD Single : A 55 GLN : amide:sc= -0.145 K(o=-0.15,f=-0.83) USER MOD Single : A 62 ASN : amide:sc= -0.222 X(o=-0.22,f=-0.2) USER MOD Single : A 64 ASN : amide:sc= 1.15 K(o=1.2,f=-0.0034) USER MOD Single : A 65 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.04) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -119:sc= 1.13 (180deg=-1.33!) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= -0.263 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=-0.0052) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=-0.0069) USER MOD Single : A 92 HIS : no HD1:sc=-0.00704 X(o=-0.007,f=-0.0073) USER MOD Single : A 93 HIS : no HD1:sc= -0.163 X(o=-0.16,f=-0.41) USER MOD Single : A 94 HIS : no HD1:sc=-0.00932 X(o=-0.0093,f=-0.018) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.647 6.329 10.708 1.00 0.00 N ATOM 2 CA MET A 1 19.545 5.636 9.404 1.00 0.00 C ATOM 3 C MET A 1 19.481 6.637 8.258 1.00 0.00 C ATOM 4 O MET A 1 20.057 6.404 7.194 1.00 0.00 O ATOM 5 CB MET A 1 18.299 4.741 9.346 1.00 0.00 C ATOM 6 CG MET A 1 18.280 3.610 10.365 1.00 0.00 C ATOM 7 SD MET A 1 17.962 4.179 12.044 1.00 0.00 S ATOM 8 CE MET A 1 17.967 2.624 12.933 1.00 0.00 C ATOM 0 H1 MET A 1 20.543 6.071 11.169 1.00 0.00 H new ATOM 0 H2 MET A 1 19.618 7.358 10.558 1.00 0.00 H new ATOM 0 H3 MET A 1 18.851 6.046 11.315 1.00 0.00 H new ATOM 0 HA MET A 1 20.438 5.019 9.301 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.415 5.361 9.496 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.222 4.313 8.347 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.516 2.886 10.082 1.00 0.00 H new ATOM 0 HG3 MET A 1 19.237 3.089 10.339 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.783 2.809 13.991 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.185 1.976 12.537 1.00 0.00 H new ATOM 0 HE3 MET A 1 18.936 2.139 12.813 1.00 0.00 H new ATOM 20 N VAL A 2 18.789 7.753 8.486 1.00 0.00 N ATOM 21 CA VAL A 2 18.500 8.723 7.432 1.00 0.00 C ATOM 22 C VAL A 2 17.683 8.053 6.326 1.00 0.00 C ATOM 23 O VAL A 2 18.157 7.839 5.208 1.00 0.00 O ATOM 24 CB VAL A 2 19.780 9.369 6.840 1.00 0.00 C ATOM 25 CG1 VAL A 2 19.428 10.490 5.869 1.00 0.00 C ATOM 26 CG2 VAL A 2 20.679 9.895 7.951 1.00 0.00 C ATOM 0 H VAL A 2 18.416 8.008 9.400 1.00 0.00 H new ATOM 0 HA VAL A 2 17.924 9.531 7.884 1.00 0.00 H new ATOM 0 HB VAL A 2 20.320 8.598 6.290 1.00 0.00 H new ATOM 0 HG11 VAL A 2 20.344 10.926 5.469 1.00 0.00 H new ATOM 0 HG12 VAL A 2 18.829 10.088 5.051 1.00 0.00 H new ATOM 0 HG13 VAL A 2 18.859 11.259 6.392 1.00 0.00 H new ATOM 0 HG21 VAL A 2 21.571 10.344 7.515 1.00 0.00 H new ATOM 0 HG22 VAL A 2 20.141 10.646 8.530 1.00 0.00 H new ATOM 0 HG23 VAL A 2 20.969 9.072 8.604 1.00 0.00 H new ATOM 36 N LYS A 3 16.461 7.681 6.673 1.00 0.00 N ATOM 37 CA LYS A 3 15.557 7.026 5.740 1.00 0.00 C ATOM 38 C LYS A 3 14.235 7.782 5.684 1.00 0.00 C ATOM 39 O LYS A 3 13.759 8.294 6.700 1.00 0.00 O ATOM 40 CB LYS A 3 15.325 5.569 6.166 1.00 0.00 C ATOM 41 CG LYS A 3 14.430 4.777 5.224 1.00 0.00 C ATOM 42 CD LYS A 3 14.245 3.346 5.711 1.00 0.00 C ATOM 43 CE LYS A 3 13.270 2.572 4.836 1.00 0.00 C ATOM 44 NZ LYS A 3 13.052 1.188 5.336 1.00 0.00 N ATOM 0 H LYS A 3 16.069 7.823 7.604 1.00 0.00 H new ATOM 0 HA LYS A 3 16.005 7.029 4.746 1.00 0.00 H new ATOM 0 HB2 LYS A 3 16.289 5.066 6.241 1.00 0.00 H new ATOM 0 HB3 LYS A 3 14.883 5.560 7.162 1.00 0.00 H new ATOM 0 HG2 LYS A 3 13.459 5.265 5.145 1.00 0.00 H new ATOM 0 HG3 LYS A 3 14.865 4.770 4.225 1.00 0.00 H new ATOM 0 HD2 LYS A 3 15.209 2.837 5.719 1.00 0.00 H new ATOM 0 HD3 LYS A 3 13.882 3.356 6.739 1.00 0.00 H new ATOM 0 HE2 LYS A 3 12.317 3.099 4.801 1.00 0.00 H new ATOM 0 HE3 LYS A 3 13.651 2.533 3.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 12.382 0.695 4.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 13.957 0.676 5.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 12.665 1.224 6.300 1.00 0.00 H new ATOM 58 N ASP A 4 13.662 7.876 4.496 1.00 0.00 N ATOM 59 CA ASP A 4 12.391 8.559 4.315 1.00 0.00 C ATOM 60 C ASP A 4 11.246 7.712 4.848 1.00 0.00 C ATOM 61 O ASP A 4 11.084 6.549 4.466 1.00 0.00 O ATOM 62 CB ASP A 4 12.176 8.891 2.841 1.00 0.00 C ATOM 63 CG ASP A 4 10.754 9.306 2.529 1.00 0.00 C ATOM 64 OD1 ASP A 4 10.307 10.357 3.033 1.00 0.00 O ATOM 65 OD2 ASP A 4 10.084 8.583 1.762 1.00 0.00 O ATOM 0 H ASP A 4 14.058 7.487 3.640 1.00 0.00 H new ATOM 0 HA ASP A 4 12.414 9.491 4.880 1.00 0.00 H new ATOM 0 HB2 ASP A 4 12.854 9.694 2.552 1.00 0.00 H new ATOM 0 HB3 ASP A 4 12.436 8.022 2.237 1.00 0.00 H new ATOM 70 N LYS A 5 10.452 8.302 5.729 1.00 0.00 N ATOM 71 CA LYS A 5 9.383 7.581 6.401 1.00 0.00 C ATOM 72 C LYS A 5 8.289 7.176 5.415 1.00 0.00 C ATOM 73 O LYS A 5 7.693 6.111 5.552 1.00 0.00 O ATOM 74 CB LYS A 5 8.797 8.434 7.530 1.00 0.00 C ATOM 75 CG LYS A 5 7.928 7.654 8.508 1.00 0.00 C ATOM 76 CD LYS A 5 8.732 6.586 9.235 1.00 0.00 C ATOM 77 CE LYS A 5 7.906 5.888 10.307 1.00 0.00 C ATOM 78 NZ LYS A 5 8.705 4.872 11.045 1.00 0.00 N ATOM 0 H LYS A 5 10.529 9.283 5.996 1.00 0.00 H new ATOM 0 HA LYS A 5 9.803 6.671 6.829 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.614 8.902 8.079 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.204 9.238 7.094 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.490 8.339 9.234 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.102 7.187 7.971 1.00 0.00 H new ATOM 0 HD2 LYS A 5 9.092 5.850 8.516 1.00 0.00 H new ATOM 0 HD3 LYS A 5 9.611 7.041 9.692 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.521 6.628 11.009 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.043 5.407 9.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.109 4.418 11.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.051 4.152 10.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 9.514 5.335 11.506 1.00 0.00 H new ATOM 92 N GLN A 6 8.045 8.019 4.414 1.00 0.00 N ATOM 93 CA GLN A 6 7.010 7.746 3.421 1.00 0.00 C ATOM 94 C GLN A 6 7.292 6.436 2.688 1.00 0.00 C ATOM 95 O GLN A 6 6.416 5.581 2.575 1.00 0.00 O ATOM 96 CB GLN A 6 6.902 8.898 2.419 1.00 0.00 C ATOM 97 CG GLN A 6 5.748 8.745 1.444 1.00 0.00 C ATOM 98 CD GLN A 6 4.400 8.743 2.139 1.00 0.00 C ATOM 99 OE1 GLN A 6 3.903 7.700 2.555 1.00 0.00 O ATOM 100 NE2 GLN A 6 3.799 9.914 2.273 1.00 0.00 N ATOM 0 H GLN A 6 8.549 8.894 4.270 1.00 0.00 H new ATOM 0 HA GLN A 6 6.059 7.651 3.946 1.00 0.00 H new ATOM 0 HB2 GLN A 6 6.785 9.834 2.965 1.00 0.00 H new ATOM 0 HB3 GLN A 6 7.834 8.970 1.858 1.00 0.00 H new ATOM 0 HG2 GLN A 6 5.779 9.558 0.719 1.00 0.00 H new ATOM 0 HG3 GLN A 6 5.868 7.816 0.887 1.00 0.00 H new ATOM 0 HE21 GLN A 6 4.243 10.759 1.914 1.00 0.00 H new ATOM 0 HE22 GLN A 6 2.891 9.972 2.735 1.00 0.00 H new ATOM 109 N LYS A 7 8.520 6.273 2.203 1.00 0.00 N ATOM 110 CA LYS A 7 8.908 5.038 1.528 1.00 0.00 C ATOM 111 C LYS A 7 8.842 3.844 2.474 1.00 0.00 C ATOM 112 O LYS A 7 8.564 2.724 2.048 1.00 0.00 O ATOM 113 CB LYS A 7 10.306 5.160 0.919 1.00 0.00 C ATOM 114 CG LYS A 7 10.312 5.920 -0.394 1.00 0.00 C ATOM 115 CD LYS A 7 11.682 5.934 -1.041 1.00 0.00 C ATOM 116 CE LYS A 7 12.640 6.849 -0.304 1.00 0.00 C ATOM 117 NZ LYS A 7 12.110 8.232 -0.213 1.00 0.00 N ATOM 0 H LYS A 7 9.258 6.974 2.264 1.00 0.00 H new ATOM 0 HA LYS A 7 8.195 4.870 0.721 1.00 0.00 H new ATOM 0 HB2 LYS A 7 10.963 5.664 1.628 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.715 4.163 0.758 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.594 5.467 -1.077 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.984 6.945 -0.220 1.00 0.00 H new ATOM 0 HD2 LYS A 7 12.086 4.922 -1.059 1.00 0.00 H new ATOM 0 HD3 LYS A 7 11.592 6.260 -2.077 1.00 0.00 H new ATOM 0 HE2 LYS A 7 12.818 6.460 0.698 1.00 0.00 H new ATOM 0 HE3 LYS A 7 13.602 6.860 -0.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 12.854 8.866 0.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 11.805 8.550 -1.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 11.299 8.251 0.438 1.00 0.00 H new ATOM 131 N ALA A 8 9.074 4.091 3.757 1.00 0.00 N ATOM 132 CA ALA A 8 8.995 3.037 4.760 1.00 0.00 C ATOM 133 C ALA A 8 7.546 2.632 5.010 1.00 0.00 C ATOM 134 O ALA A 8 7.264 1.482 5.334 1.00 0.00 O ATOM 135 CB ALA A 8 9.660 3.479 6.055 1.00 0.00 C ATOM 0 H ALA A 8 9.318 5.010 4.127 1.00 0.00 H new ATOM 0 HA ALA A 8 9.529 2.166 4.380 1.00 0.00 H new ATOM 0 HB1 ALA A 8 9.591 2.678 6.791 1.00 0.00 H new ATOM 0 HB2 ALA A 8 10.709 3.708 5.866 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.158 4.368 6.437 1.00 0.00 H new ATOM 141 N ILE A 9 6.633 3.581 4.864 1.00 0.00 N ATOM 142 CA ILE A 9 5.208 3.305 5.003 1.00 0.00 C ATOM 143 C ILE A 9 4.686 2.597 3.760 1.00 0.00 C ATOM 144 O ILE A 9 4.027 1.564 3.855 1.00 0.00 O ATOM 145 CB ILE A 9 4.398 4.602 5.228 1.00 0.00 C ATOM 146 CG1 ILE A 9 4.877 5.307 6.499 1.00 0.00 C ATOM 147 CG2 ILE A 9 2.906 4.295 5.310 1.00 0.00 C ATOM 148 CD1 ILE A 9 4.281 6.684 6.687 1.00 0.00 C ATOM 0 H ILE A 9 6.854 4.553 4.648 1.00 0.00 H new ATOM 0 HA ILE A 9 5.082 2.663 5.875 1.00 0.00 H new ATOM 0 HB ILE A 9 4.560 5.267 4.380 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.627 4.691 7.363 1.00 0.00 H new ATOM 0 HG13 ILE A 9 5.963 5.391 6.471 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.352 5.220 5.469 1.00 0.00 H new ATOM 0 HG22 ILE A 9 2.578 3.831 4.380 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.720 3.614 6.140 1.00 0.00 H new ATOM 0 HD11 ILE A 9 4.665 7.124 7.607 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.552 7.316 5.842 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.196 6.605 6.748 1.00 0.00 H new ATOM 160 N PHE A 10 5.012 3.156 2.597 1.00 0.00 N ATOM 161 CA PHE A 10 4.594 2.592 1.315 1.00 0.00 C ATOM 162 C PHE A 10 4.997 1.121 1.208 1.00 0.00 C ATOM 163 O PHE A 10 4.175 0.269 0.865 1.00 0.00 O ATOM 164 CB PHE A 10 5.212 3.396 0.164 1.00 0.00 C ATOM 165 CG PHE A 10 4.845 2.889 -1.205 1.00 0.00 C ATOM 166 CD1 PHE A 10 3.624 3.216 -1.773 1.00 0.00 C ATOM 167 CD2 PHE A 10 5.719 2.086 -1.921 1.00 0.00 C ATOM 168 CE1 PHE A 10 3.284 2.753 -3.029 1.00 0.00 C ATOM 169 CE2 PHE A 10 5.383 1.622 -3.177 1.00 0.00 C ATOM 170 CZ PHE A 10 4.163 1.954 -3.731 1.00 0.00 C ATOM 0 H PHE A 10 5.569 4.006 2.516 1.00 0.00 H new ATOM 0 HA PHE A 10 3.508 2.651 1.250 1.00 0.00 H new ATOM 0 HB2 PHE A 10 4.897 4.436 0.251 1.00 0.00 H new ATOM 0 HB3 PHE A 10 6.297 3.382 0.266 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.931 3.840 -1.228 1.00 0.00 H new ATOM 0 HD2 PHE A 10 6.674 1.820 -1.491 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.330 3.016 -3.462 1.00 0.00 H new ATOM 0 HE2 PHE A 10 6.074 1.000 -3.726 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.897 1.589 -4.712 1.00 0.00 H new ATOM 180 N SER A 11 6.257 0.826 1.514 1.00 0.00 N ATOM 181 CA SER A 11 6.752 -0.543 1.459 1.00 0.00 C ATOM 182 C SER A 11 6.062 -1.409 2.505 1.00 0.00 C ATOM 183 O SER A 11 5.671 -2.534 2.220 1.00 0.00 O ATOM 184 CB SER A 11 8.267 -0.574 1.657 1.00 0.00 C ATOM 185 OG SER A 11 8.656 0.210 2.774 1.00 0.00 O ATOM 0 H SER A 11 6.951 1.516 1.802 1.00 0.00 H new ATOM 0 HA SER A 11 6.523 -0.948 0.473 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.596 -1.603 1.800 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.761 -0.203 0.759 1.00 0.00 H new ATOM 0 HG SER A 11 8.971 1.085 2.466 1.00 0.00 H new ATOM 191 N GLU A 12 5.896 -0.865 3.705 1.00 0.00 N ATOM 192 CA GLU A 12 5.217 -1.568 4.790 1.00 0.00 C ATOM 193 C GLU A 12 3.817 -1.999 4.360 1.00 0.00 C ATOM 194 O GLU A 12 3.430 -3.159 4.529 1.00 0.00 O ATOM 195 CB GLU A 12 5.141 -0.654 6.020 1.00 0.00 C ATOM 196 CG GLU A 12 4.344 -1.218 7.189 1.00 0.00 C ATOM 197 CD GLU A 12 4.892 -2.530 7.711 1.00 0.00 C ATOM 198 OE1 GLU A 12 6.117 -2.631 7.918 1.00 0.00 O ATOM 199 OE2 GLU A 12 4.091 -3.469 7.916 1.00 0.00 O ATOM 0 H GLU A 12 6.225 0.068 3.953 1.00 0.00 H new ATOM 0 HA GLU A 12 5.783 -2.465 5.042 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.155 -0.441 6.359 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.698 0.296 5.722 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.335 -0.488 7.999 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.309 -1.363 6.878 1.00 0.00 H new ATOM 206 N ASN A 13 3.073 -1.067 3.786 1.00 0.00 N ATOM 207 CA ASN A 13 1.717 -1.343 3.328 1.00 0.00 C ATOM 208 C ASN A 13 1.719 -2.303 2.145 1.00 0.00 C ATOM 209 O ASN A 13 0.976 -3.286 2.134 1.00 0.00 O ATOM 210 CB ASN A 13 1.005 -0.044 2.940 1.00 0.00 C ATOM 211 CG ASN A 13 0.690 0.834 4.137 1.00 0.00 C ATOM 212 OD1 ASN A 13 1.380 0.796 5.158 1.00 0.00 O ATOM 213 ND2 ASN A 13 -0.362 1.622 4.024 1.00 0.00 N ATOM 0 H ASN A 13 3.385 -0.109 3.625 1.00 0.00 H new ATOM 0 HA ASN A 13 1.180 -1.812 4.152 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.630 0.513 2.241 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.079 -0.285 2.418 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -0.630 2.229 4.799 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -0.907 1.624 3.162 1.00 0.00 H new ATOM 220 N LEU A 14 2.564 -2.021 1.159 1.00 0.00 N ATOM 221 CA LEU A 14 2.655 -2.847 -0.041 1.00 0.00 C ATOM 222 C LEU A 14 3.048 -4.279 0.316 1.00 0.00 C ATOM 223 O LEU A 14 2.413 -5.237 -0.128 1.00 0.00 O ATOM 224 CB LEU A 14 3.676 -2.249 -1.017 1.00 0.00 C ATOM 225 CG LEU A 14 3.812 -2.975 -2.357 1.00 0.00 C ATOM 226 CD1 LEU A 14 2.509 -2.900 -3.144 1.00 0.00 C ATOM 227 CD2 LEU A 14 4.961 -2.387 -3.163 1.00 0.00 C ATOM 0 H LEU A 14 3.199 -1.223 1.167 1.00 0.00 H new ATOM 0 HA LEU A 14 1.675 -2.868 -0.519 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.402 -1.212 -1.212 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.652 -2.235 -0.531 1.00 0.00 H new ATOM 0 HG LEU A 14 4.030 -4.025 -2.161 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.627 -3.422 -4.093 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.709 -3.368 -2.569 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.257 -1.856 -3.333 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.046 -2.914 -4.114 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.771 -1.330 -3.349 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.891 -2.496 -2.604 1.00 0.00 H new ATOM 239 N ASN A 15 4.082 -4.408 1.139 1.00 0.00 N ATOM 240 CA ASN A 15 4.581 -5.710 1.574 1.00 0.00 C ATOM 241 C ASN A 15 3.498 -6.511 2.282 1.00 0.00 C ATOM 242 O ASN A 15 3.471 -7.736 2.190 1.00 0.00 O ATOM 243 CB ASN A 15 5.786 -5.533 2.501 1.00 0.00 C ATOM 244 CG ASN A 15 7.065 -5.223 1.747 1.00 0.00 C ATOM 245 OD1 ASN A 15 7.037 -4.785 0.597 1.00 0.00 O ATOM 246 ND2 ASN A 15 8.196 -5.426 2.397 1.00 0.00 N ATOM 0 H ASN A 15 4.598 -3.616 1.523 1.00 0.00 H new ATOM 0 HA ASN A 15 4.887 -6.262 0.685 1.00 0.00 H new ATOM 0 HB2 ASN A 15 5.581 -4.728 3.207 1.00 0.00 H new ATOM 0 HB3 ASN A 15 5.925 -6.442 3.086 1.00 0.00 H new ATOM 0 HD21 ASN A 15 9.087 -5.218 1.947 1.00 0.00 H new ATOM 0 HD22 ASN A 15 8.178 -5.790 3.350 1.00 0.00 H new ATOM 253 N SER A 16 2.603 -5.815 2.977 1.00 0.00 N ATOM 254 CA SER A 16 1.490 -6.466 3.654 1.00 0.00 C ATOM 255 C SER A 16 0.629 -7.232 2.649 1.00 0.00 C ATOM 256 O SER A 16 0.320 -8.404 2.851 1.00 0.00 O ATOM 257 CB SER A 16 0.637 -5.434 4.397 1.00 0.00 C ATOM 258 OG SER A 16 1.417 -4.689 5.321 1.00 0.00 O ATOM 0 H SER A 16 2.628 -4.801 3.085 1.00 0.00 H new ATOM 0 HA SER A 16 1.895 -7.172 4.379 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.174 -4.757 3.679 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.172 -5.940 4.925 1.00 0.00 H new ATOM 0 HG SER A 16 1.918 -3.996 4.842 1.00 0.00 H new ATOM 264 N TYR A 17 0.272 -6.572 1.553 1.00 0.00 N ATOM 265 CA TYR A 17 -0.570 -7.188 0.532 1.00 0.00 C ATOM 266 C TYR A 17 0.182 -8.289 -0.206 1.00 0.00 C ATOM 267 O TYR A 17 -0.374 -9.347 -0.495 1.00 0.00 O ATOM 268 CB TYR A 17 -1.068 -6.137 -0.461 1.00 0.00 C ATOM 269 CG TYR A 17 -1.975 -5.095 0.156 1.00 0.00 C ATOM 270 CD1 TYR A 17 -3.300 -5.389 0.455 1.00 0.00 C ATOM 271 CD2 TYR A 17 -1.509 -3.817 0.436 1.00 0.00 C ATOM 272 CE1 TYR A 17 -4.132 -4.440 1.019 1.00 0.00 C ATOM 273 CE2 TYR A 17 -2.336 -2.862 1.001 1.00 0.00 C ATOM 274 CZ TYR A 17 -3.646 -3.179 1.289 1.00 0.00 C ATOM 275 OH TYR A 17 -4.472 -2.233 1.854 1.00 0.00 O ATOM 0 H TYR A 17 0.551 -5.613 1.348 1.00 0.00 H new ATOM 0 HA TYR A 17 -1.429 -7.634 1.033 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.209 -5.638 -0.909 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.602 -6.638 -1.268 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.686 -6.375 0.243 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -0.484 -3.564 0.209 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -5.159 -4.686 1.247 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -1.957 -1.874 1.215 1.00 0.00 H new ATOM 0 HH TYR A 17 -3.940 -1.620 2.403 1.00 0.00 H new ATOM 285 N ILE A 18 1.453 -8.037 -0.495 1.00 0.00 N ATOM 286 CA ILE A 18 2.287 -9.003 -1.200 1.00 0.00 C ATOM 287 C ILE A 18 2.456 -10.282 -0.379 1.00 0.00 C ATOM 288 O ILE A 18 2.275 -11.386 -0.890 1.00 0.00 O ATOM 289 CB ILE A 18 3.677 -8.413 -1.516 1.00 0.00 C ATOM 290 CG1 ILE A 18 3.537 -7.178 -2.407 1.00 0.00 C ATOM 291 CG2 ILE A 18 4.561 -9.454 -2.189 1.00 0.00 C ATOM 292 CD1 ILE A 18 4.828 -6.407 -2.581 1.00 0.00 C ATOM 0 H ILE A 18 1.930 -7.169 -0.251 1.00 0.00 H new ATOM 0 HA ILE A 18 1.783 -9.242 -2.136 1.00 0.00 H new ATOM 0 HB ILE A 18 4.148 -8.117 -0.579 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.173 -7.487 -3.387 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.783 -6.516 -1.981 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.537 -9.019 -2.404 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.684 -10.310 -1.526 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.096 -9.779 -3.120 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.653 -5.545 -3.225 1.00 0.00 H new ATOM 0 HD12 ILE A 18 5.183 -6.067 -1.608 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.579 -7.053 -3.036 1.00 0.00 H new ATOM 304 N ALA A 19 2.768 -10.121 0.903 1.00 0.00 N ATOM 305 CA ALA A 19 3.005 -11.259 1.785 1.00 0.00 C ATOM 306 C ALA A 19 1.706 -11.972 2.143 1.00 0.00 C ATOM 307 O ALA A 19 1.720 -13.020 2.784 1.00 0.00 O ATOM 308 CB ALA A 19 3.725 -10.813 3.046 1.00 0.00 C ATOM 0 H ALA A 19 2.863 -9.212 1.355 1.00 0.00 H new ATOM 0 HA ALA A 19 3.636 -11.966 1.247 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.894 -11.674 3.693 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.683 -10.366 2.779 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.116 -10.078 3.572 1.00 0.00 H new ATOM 314 N LYS A 20 0.579 -11.396 1.748 1.00 0.00 N ATOM 315 CA LYS A 20 -0.709 -12.043 1.949 1.00 0.00 C ATOM 316 C LYS A 20 -1.055 -12.906 0.741 1.00 0.00 C ATOM 317 O LYS A 20 -1.989 -13.710 0.779 1.00 0.00 O ATOM 318 CB LYS A 20 -1.812 -11.008 2.197 1.00 0.00 C ATOM 319 CG LYS A 20 -2.338 -10.974 3.632 1.00 0.00 C ATOM 320 CD LYS A 20 -1.426 -10.206 4.587 1.00 0.00 C ATOM 321 CE LYS A 20 -0.167 -10.982 4.957 1.00 0.00 C ATOM 322 NZ LYS A 20 -0.474 -12.219 5.727 1.00 0.00 N ATOM 0 H LYS A 20 0.531 -10.486 1.289 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.638 -12.679 2.832 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.430 -10.020 1.940 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.644 -11.214 1.523 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.328 -10.518 3.639 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.455 -11.995 3.994 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.141 -9.259 4.127 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.979 -9.966 5.495 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.375 -11.247 4.049 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.491 -10.343 5.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.392 -12.567 6.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.189 -12.008 6.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.840 -12.948 5.082 1.00 0.00 H new ATOM 336 N SER A 21 -0.292 -12.735 -0.329 1.00 0.00 N ATOM 337 CA SER A 21 -0.477 -13.521 -1.535 1.00 0.00 C ATOM 338 C SER A 21 0.546 -14.647 -1.577 1.00 0.00 C ATOM 339 O SER A 21 1.572 -14.590 -0.899 1.00 0.00 O ATOM 340 CB SER A 21 -0.341 -12.631 -2.775 1.00 0.00 C ATOM 341 OG SER A 21 -0.643 -13.348 -3.964 1.00 0.00 O ATOM 0 H SER A 21 0.465 -12.054 -0.384 1.00 0.00 H new ATOM 0 HA SER A 21 -1.478 -13.952 -1.528 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.009 -11.775 -2.685 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.674 -12.238 -2.833 1.00 0.00 H new ATOM 0 HG SER A 21 -0.549 -12.753 -4.737 1.00 0.00 H new ATOM 347 N GLU A 22 0.259 -15.680 -2.353 1.00 0.00 N ATOM 348 CA GLU A 22 1.183 -16.792 -2.495 1.00 0.00 C ATOM 349 C GLU A 22 1.960 -16.676 -3.803 1.00 0.00 C ATOM 350 O GLU A 22 2.740 -17.563 -4.156 1.00 0.00 O ATOM 351 CB GLU A 22 0.447 -18.132 -2.421 1.00 0.00 C ATOM 352 CG GLU A 22 -0.363 -18.299 -1.145 1.00 0.00 C ATOM 353 CD GLU A 22 -0.696 -19.744 -0.839 1.00 0.00 C ATOM 354 OE1 GLU A 22 -1.055 -20.496 -1.770 1.00 0.00 O ATOM 355 OE2 GLU A 22 -0.580 -20.146 0.337 1.00 0.00 O ATOM 0 H GLU A 22 -0.602 -15.771 -2.892 1.00 0.00 H new ATOM 0 HA GLU A 22 1.891 -16.752 -1.667 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.217 -18.222 -3.280 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.172 -18.942 -2.492 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.195 -17.876 -0.309 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.288 -17.729 -1.232 1.00 0.00 H new ATOM 362 N LYS A 23 1.740 -15.578 -4.516 1.00 0.00 N ATOM 363 CA LYS A 23 2.505 -15.271 -5.708 1.00 0.00 C ATOM 364 C LYS A 23 3.760 -14.496 -5.325 1.00 0.00 C ATOM 365 O LYS A 23 3.699 -13.565 -4.522 1.00 0.00 O ATOM 366 CB LYS A 23 1.657 -14.459 -6.687 1.00 0.00 C ATOM 367 CG LYS A 23 0.758 -15.305 -7.581 1.00 0.00 C ATOM 368 CD LYS A 23 -0.051 -14.432 -8.529 1.00 0.00 C ATOM 369 CE LYS A 23 -0.853 -15.254 -9.530 1.00 0.00 C ATOM 370 NZ LYS A 23 0.024 -16.003 -10.470 1.00 0.00 N ATOM 0 H LYS A 23 1.031 -14.883 -4.283 1.00 0.00 H new ATOM 0 HA LYS A 23 2.796 -16.202 -6.195 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.038 -13.762 -6.123 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.318 -13.862 -7.315 1.00 0.00 H new ATOM 0 HG2 LYS A 23 1.366 -16.004 -8.155 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.084 -15.900 -6.965 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.730 -13.804 -7.951 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.621 -13.764 -9.067 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.491 -15.956 -8.993 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.510 -14.594 -10.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.393 -15.986 -11.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.964 -15.559 -10.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.115 -16.988 -10.149 1.00 0.00 H new ATOM 384 N THR A 24 4.890 -14.892 -5.891 1.00 0.00 N ATOM 385 CA THR A 24 6.166 -14.280 -5.562 1.00 0.00 C ATOM 386 C THR A 24 6.284 -12.874 -6.137 1.00 0.00 C ATOM 387 O THR A 24 5.502 -12.470 -7.003 1.00 0.00 O ATOM 388 CB THR A 24 7.336 -15.142 -6.071 1.00 0.00 C ATOM 389 OG1 THR A 24 7.164 -15.434 -7.465 1.00 0.00 O ATOM 390 CG2 THR A 24 7.430 -16.439 -5.283 1.00 0.00 C ATOM 0 H THR A 24 4.948 -15.638 -6.584 1.00 0.00 H new ATOM 0 HA THR A 24 6.214 -14.212 -4.475 1.00 0.00 H new ATOM 0 HB THR A 24 8.260 -14.581 -5.932 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.914 -15.981 -7.780 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.263 -17.033 -5.659 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.591 -16.213 -4.229 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.503 -17.001 -5.396 1.00 0.00 H new ATOM 398 N GLN A 25 7.267 -12.135 -5.640 1.00 0.00 N ATOM 399 CA GLN A 25 7.570 -10.803 -6.144 1.00 0.00 C ATOM 400 C GLN A 25 7.847 -10.859 -7.641 1.00 0.00 C ATOM 401 O GLN A 25 7.463 -9.964 -8.397 1.00 0.00 O ATOM 402 CB GLN A 25 8.786 -10.214 -5.413 1.00 0.00 C ATOM 403 CG GLN A 25 8.561 -9.926 -3.932 1.00 0.00 C ATOM 404 CD GLN A 25 8.566 -11.172 -3.068 1.00 0.00 C ATOM 405 OE1 GLN A 25 7.534 -11.801 -2.851 1.00 0.00 O ATOM 406 NE2 GLN A 25 9.735 -11.538 -2.570 1.00 0.00 N ATOM 0 H GLN A 25 7.874 -12.441 -4.879 1.00 0.00 H new ATOM 0 HA GLN A 25 6.707 -10.162 -5.963 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.622 -10.906 -5.512 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.078 -9.288 -5.909 1.00 0.00 H new ATOM 0 HG2 GLN A 25 9.337 -9.246 -3.580 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.607 -9.412 -3.810 1.00 0.00 H new ATOM 0 HE21 GLN A 25 10.570 -10.989 -2.773 1.00 0.00 H new ATOM 0 HE22 GLN A 25 9.801 -12.369 -1.983 1.00 0.00 H new ATOM 415 N LEU A 26 8.496 -11.938 -8.056 1.00 0.00 N ATOM 416 CA LEU A 26 8.835 -12.152 -9.458 1.00 0.00 C ATOM 417 C LEU A 26 7.573 -12.393 -10.289 1.00 0.00 C ATOM 418 O LEU A 26 7.526 -12.075 -11.479 1.00 0.00 O ATOM 419 CB LEU A 26 9.784 -13.346 -9.581 1.00 0.00 C ATOM 420 CG LEU A 26 11.084 -13.075 -10.342 1.00 0.00 C ATOM 421 CD1 LEU A 26 11.977 -14.307 -10.322 1.00 0.00 C ATOM 422 CD2 LEU A 26 10.792 -12.652 -11.774 1.00 0.00 C ATOM 0 H LEU A 26 8.802 -12.687 -7.435 1.00 0.00 H new ATOM 0 HA LEU A 26 9.329 -11.258 -9.840 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.035 -13.694 -8.579 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.255 -14.159 -10.077 1.00 0.00 H new ATOM 0 HG LEU A 26 11.608 -12.258 -9.845 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.897 -14.098 -10.867 1.00 0.00 H new ATOM 0 HD12 LEU A 26 12.217 -14.566 -9.291 1.00 0.00 H new ATOM 0 HD13 LEU A 26 11.457 -15.141 -10.794 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.730 -12.464 -12.296 1.00 0.00 H new ATOM 0 HD22 LEU A 26 10.245 -13.445 -12.283 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.191 -11.743 -11.769 1.00 0.00 H new ATOM 434 N GLU A 27 6.554 -12.957 -9.649 1.00 0.00 N ATOM 435 CA GLU A 27 5.266 -13.193 -10.291 1.00 0.00 C ATOM 436 C GLU A 27 4.533 -11.880 -10.532 1.00 0.00 C ATOM 437 O GLU A 27 4.117 -11.584 -11.652 1.00 0.00 O ATOM 438 CB GLU A 27 4.401 -14.112 -9.421 1.00 0.00 C ATOM 439 CG GLU A 27 4.326 -15.545 -9.919 1.00 0.00 C ATOM 440 CD GLU A 27 3.585 -15.656 -11.233 1.00 0.00 C ATOM 441 OE1 GLU A 27 2.419 -15.213 -11.301 1.00 0.00 O ATOM 442 OE2 GLU A 27 4.166 -16.167 -12.211 1.00 0.00 O ATOM 0 H GLU A 27 6.597 -13.262 -8.677 1.00 0.00 H new ATOM 0 HA GLU A 27 5.450 -13.673 -11.252 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.797 -14.112 -8.405 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.392 -13.703 -9.370 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.335 -15.939 -10.039 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.829 -16.162 -9.171 1.00 0.00 H new ATOM 449 N ILE A 28 4.392 -11.095 -9.474 1.00 0.00 N ATOM 450 CA ILE A 28 3.655 -9.839 -9.537 1.00 0.00 C ATOM 451 C ILE A 28 4.335 -8.852 -10.488 1.00 0.00 C ATOM 452 O ILE A 28 3.664 -8.116 -11.214 1.00 0.00 O ATOM 453 CB ILE A 28 3.515 -9.205 -8.134 1.00 0.00 C ATOM 454 CG1 ILE A 28 2.936 -10.229 -7.151 1.00 0.00 C ATOM 455 CG2 ILE A 28 2.633 -7.962 -8.192 1.00 0.00 C ATOM 456 CD1 ILE A 28 2.843 -9.727 -5.726 1.00 0.00 C ATOM 0 H ILE A 28 4.781 -11.307 -8.555 1.00 0.00 H new ATOM 0 HA ILE A 28 2.659 -10.063 -9.919 1.00 0.00 H new ATOM 0 HB ILE A 28 4.503 -8.904 -7.786 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.941 -10.520 -7.489 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.555 -11.126 -7.170 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.547 -7.530 -7.195 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.078 -7.231 -8.867 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.643 -8.235 -8.556 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.424 -10.508 -5.092 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.838 -9.463 -5.368 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.200 -8.848 -5.691 1.00 0.00 H new ATOM 468 N ALA A 29 5.662 -8.860 -10.494 1.00 0.00 N ATOM 469 CA ALA A 29 6.444 -7.951 -11.328 1.00 0.00 C ATOM 470 C ALA A 29 6.071 -8.064 -12.805 1.00 0.00 C ATOM 471 O ALA A 29 5.962 -7.052 -13.503 1.00 0.00 O ATOM 472 CB ALA A 29 7.928 -8.219 -11.141 1.00 0.00 C ATOM 0 H ALA A 29 6.225 -9.492 -9.925 1.00 0.00 H new ATOM 0 HA ALA A 29 6.214 -6.934 -11.010 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.503 -7.536 -11.767 1.00 0.00 H new ATOM 0 HB2 ALA A 29 8.196 -8.066 -10.096 1.00 0.00 H new ATOM 0 HB3 ALA A 29 8.151 -9.247 -11.426 1.00 0.00 H new ATOM 478 N LYS A 30 5.857 -9.289 -13.279 1.00 0.00 N ATOM 479 CA LYS A 30 5.544 -9.510 -14.690 1.00 0.00 C ATOM 480 C LYS A 30 4.146 -8.999 -15.020 1.00 0.00 C ATOM 481 O LYS A 30 3.916 -8.433 -16.090 1.00 0.00 O ATOM 482 CB LYS A 30 5.642 -10.991 -15.059 1.00 0.00 C ATOM 483 CG LYS A 30 6.963 -11.641 -14.688 1.00 0.00 C ATOM 484 CD LYS A 30 7.095 -13.008 -15.335 1.00 0.00 C ATOM 485 CE LYS A 30 8.011 -13.919 -14.536 1.00 0.00 C ATOM 486 NZ LYS A 30 7.419 -14.263 -13.215 1.00 0.00 N ATOM 0 H LYS A 30 5.894 -10.137 -12.714 1.00 0.00 H new ATOM 0 HA LYS A 30 6.279 -8.956 -15.274 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.834 -11.531 -14.566 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.487 -11.097 -16.133 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.788 -11.003 -15.005 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.033 -11.739 -13.605 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.110 -13.467 -15.422 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.485 -12.896 -16.347 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.200 -14.832 -15.100 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.974 -13.430 -14.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.825 -15.158 -12.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.629 -13.506 -12.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.389 -14.365 -13.312 1.00 0.00 H new ATOM 500 N SER A 31 3.220 -9.201 -14.090 1.00 0.00 N ATOM 501 CA SER A 31 1.840 -8.769 -14.264 1.00 0.00 C ATOM 502 C SER A 31 1.752 -7.244 -14.328 1.00 0.00 C ATOM 503 O SER A 31 0.974 -6.684 -15.104 1.00 0.00 O ATOM 504 CB SER A 31 0.983 -9.306 -13.115 1.00 0.00 C ATOM 505 OG SER A 31 1.116 -10.715 -12.996 1.00 0.00 O ATOM 0 H SER A 31 3.403 -9.665 -13.201 1.00 0.00 H new ATOM 0 HA SER A 31 1.464 -9.167 -15.207 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.280 -8.829 -12.181 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.062 -9.049 -13.285 1.00 0.00 H new ATOM 0 HG SER A 31 0.332 -11.080 -12.534 1.00 0.00 H new ATOM 511 N ILE A 32 2.567 -6.583 -13.514 1.00 0.00 N ATOM 512 CA ILE A 32 2.619 -5.128 -13.497 1.00 0.00 C ATOM 513 C ILE A 32 3.312 -4.610 -14.753 1.00 0.00 C ATOM 514 O ILE A 32 2.843 -3.670 -15.396 1.00 0.00 O ATOM 515 CB ILE A 32 3.356 -4.603 -12.239 1.00 0.00 C ATOM 516 CG1 ILE A 32 2.653 -5.091 -10.967 1.00 0.00 C ATOM 517 CG2 ILE A 32 3.433 -3.080 -12.255 1.00 0.00 C ATOM 518 CD1 ILE A 32 1.198 -4.672 -10.870 1.00 0.00 C ATOM 0 H ILE A 32 3.202 -7.034 -12.856 1.00 0.00 H new ATOM 0 HA ILE A 32 1.593 -4.760 -13.470 1.00 0.00 H new ATOM 0 HB ILE A 32 4.373 -4.996 -12.248 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.711 -6.179 -10.926 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.189 -4.710 -10.098 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.954 -2.733 -11.363 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.975 -2.752 -13.142 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.425 -2.665 -12.271 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.770 -5.055 -9.943 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.131 -3.584 -10.878 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.646 -5.076 -11.719 1.00 0.00 H new ATOM 530 N GLY A 33 4.423 -5.242 -15.105 1.00 0.00 N ATOM 531 CA GLY A 33 5.165 -4.840 -16.278 1.00 0.00 C ATOM 532 C GLY A 33 6.503 -4.234 -15.923 1.00 0.00 C ATOM 533 O GLY A 33 6.948 -3.278 -16.557 1.00 0.00 O ATOM 0 H GLY A 33 4.823 -6.029 -14.595 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.319 -5.705 -16.923 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.580 -4.118 -16.847 1.00 0.00 H new ATOM 537 N VAL A 34 7.143 -4.783 -14.900 1.00 0.00 N ATOM 538 CA VAL A 34 8.432 -4.286 -14.449 1.00 0.00 C ATOM 539 C VAL A 34 9.419 -5.434 -14.291 1.00 0.00 C ATOM 540 O VAL A 34 9.068 -6.599 -14.490 1.00 0.00 O ATOM 541 CB VAL A 34 8.317 -3.524 -13.110 1.00 0.00 C ATOM 542 CG1 VAL A 34 7.483 -2.265 -13.283 1.00 0.00 C ATOM 543 CG2 VAL A 34 7.724 -4.416 -12.025 1.00 0.00 C ATOM 0 H VAL A 34 6.787 -5.576 -14.366 1.00 0.00 H new ATOM 0 HA VAL A 34 8.792 -3.592 -15.209 1.00 0.00 H new ATOM 0 HB VAL A 34 9.320 -3.233 -12.798 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.413 -1.741 -12.330 1.00 0.00 H new ATOM 0 HG12 VAL A 34 7.954 -1.615 -14.020 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.483 -2.535 -13.623 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.653 -3.856 -11.092 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.730 -4.744 -12.327 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.364 -5.286 -11.879 1.00 0.00 H new ATOM 553 N SER A 35 10.652 -5.104 -13.955 1.00 0.00 N ATOM 554 CA SER A 35 11.671 -6.110 -13.724 1.00 0.00 C ATOM 555 C SER A 35 11.745 -6.453 -12.239 1.00 0.00 C ATOM 556 O SER A 35 11.413 -5.621 -11.390 1.00 0.00 O ATOM 557 CB SER A 35 13.016 -5.600 -14.234 1.00 0.00 C ATOM 558 OG SER A 35 12.927 -5.241 -15.604 1.00 0.00 O ATOM 0 H SER A 35 10.973 -4.143 -13.836 1.00 0.00 H new ATOM 0 HA SER A 35 11.414 -7.019 -14.267 1.00 0.00 H new ATOM 0 HB2 SER A 35 13.331 -4.738 -13.646 1.00 0.00 H new ATOM 0 HB3 SER A 35 13.776 -6.370 -14.103 1.00 0.00 H new ATOM 0 HG SER A 35 13.798 -4.915 -15.914 1.00 0.00 H new ATOM 564 N PRO A 36 12.174 -7.685 -11.902 1.00 0.00 N ATOM 565 CA PRO A 36 12.249 -8.151 -10.511 1.00 0.00 C ATOM 566 C PRO A 36 13.106 -7.243 -9.629 1.00 0.00 C ATOM 567 O PRO A 36 12.797 -7.034 -8.458 1.00 0.00 O ATOM 568 CB PRO A 36 12.872 -9.551 -10.617 1.00 0.00 C ATOM 569 CG PRO A 36 13.458 -9.622 -11.988 1.00 0.00 C ATOM 570 CD PRO A 36 12.611 -8.730 -12.846 1.00 0.00 C ATOM 0 HA PRO A 36 11.266 -8.151 -10.040 1.00 0.00 H new ATOM 0 HB2 PRO A 36 13.637 -9.699 -9.855 1.00 0.00 H new ATOM 0 HB3 PRO A 36 12.121 -10.327 -10.470 1.00 0.00 H new ATOM 0 HG2 PRO A 36 14.496 -9.290 -11.986 1.00 0.00 H new ATOM 0 HG3 PRO A 36 13.451 -10.645 -12.363 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.178 -8.312 -13.678 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.765 -9.267 -13.275 1.00 0.00 H new ATOM 578 N GLN A 37 14.170 -6.690 -10.205 1.00 0.00 N ATOM 579 CA GLN A 37 15.047 -5.770 -9.483 1.00 0.00 C ATOM 580 C GLN A 37 14.325 -4.467 -9.148 1.00 0.00 C ATOM 581 O GLN A 37 14.602 -3.838 -8.126 1.00 0.00 O ATOM 582 CB GLN A 37 16.296 -5.473 -10.309 1.00 0.00 C ATOM 583 CG GLN A 37 17.255 -6.644 -10.411 1.00 0.00 C ATOM 584 CD GLN A 37 17.940 -6.946 -9.094 1.00 0.00 C ATOM 585 OE1 GLN A 37 17.455 -7.745 -8.291 1.00 0.00 O ATOM 586 NE2 GLN A 37 19.069 -6.301 -8.862 1.00 0.00 N ATOM 0 H GLN A 37 14.447 -6.863 -11.171 1.00 0.00 H new ATOM 0 HA GLN A 37 15.339 -6.250 -8.549 1.00 0.00 H new ATOM 0 HB2 GLN A 37 15.994 -5.174 -11.313 1.00 0.00 H new ATOM 0 HB3 GLN A 37 16.819 -4.624 -9.868 1.00 0.00 H new ATOM 0 HG2 GLN A 37 16.711 -7.527 -10.745 1.00 0.00 H new ATOM 0 HG3 GLN A 37 18.009 -6.428 -11.168 1.00 0.00 H new ATOM 0 HE21 GLN A 37 19.435 -5.648 -9.555 1.00 0.00 H new ATOM 0 HE22 GLN A 37 19.575 -6.456 -7.990 1.00 0.00 H new ATOM 595 N THR A 38 13.392 -4.074 -10.008 1.00 0.00 N ATOM 596 CA THR A 38 12.614 -2.864 -9.791 1.00 0.00 C ATOM 597 C THR A 38 11.615 -3.095 -8.664 1.00 0.00 C ATOM 598 O THR A 38 11.388 -2.229 -7.824 1.00 0.00 O ATOM 599 CB THR A 38 11.858 -2.440 -11.072 1.00 0.00 C ATOM 600 OG1 THR A 38 12.767 -2.351 -12.180 1.00 0.00 O ATOM 601 CG2 THR A 38 11.169 -1.097 -10.884 1.00 0.00 C ATOM 0 H THR A 38 13.157 -4.578 -10.863 1.00 0.00 H new ATOM 0 HA THR A 38 13.303 -2.063 -9.522 1.00 0.00 H new ATOM 0 HB THR A 38 11.102 -3.198 -11.276 1.00 0.00 H new ATOM 0 HG1 THR A 38 12.276 -2.084 -12.985 1.00 0.00 H new ATOM 0 HG21 THR A 38 10.646 -0.825 -11.801 1.00 0.00 H new ATOM 0 HG22 THR A 38 10.453 -1.167 -10.065 1.00 0.00 H new ATOM 0 HG23 THR A 38 11.913 -0.336 -10.651 1.00 0.00 H new ATOM 609 N PHE A 39 11.041 -4.288 -8.646 1.00 0.00 N ATOM 610 CA PHE A 39 10.076 -4.659 -7.626 1.00 0.00 C ATOM 611 C PHE A 39 10.778 -4.850 -6.280 1.00 0.00 C ATOM 612 O PHE A 39 10.232 -4.532 -5.224 1.00 0.00 O ATOM 613 CB PHE A 39 9.367 -5.946 -8.048 1.00 0.00 C ATOM 614 CG PHE A 39 8.038 -6.157 -7.382 1.00 0.00 C ATOM 615 CD1 PHE A 39 7.948 -6.835 -6.179 1.00 0.00 C ATOM 616 CD2 PHE A 39 6.875 -5.679 -7.965 1.00 0.00 C ATOM 617 CE1 PHE A 39 6.724 -7.035 -5.570 1.00 0.00 C ATOM 618 CE2 PHE A 39 5.648 -5.877 -7.360 1.00 0.00 C ATOM 619 CZ PHE A 39 5.575 -6.555 -6.161 1.00 0.00 C ATOM 0 H PHE A 39 11.229 -5.019 -9.332 1.00 0.00 H new ATOM 0 HA PHE A 39 9.339 -3.864 -7.516 1.00 0.00 H new ATOM 0 HB2 PHE A 39 9.222 -5.932 -9.128 1.00 0.00 H new ATOM 0 HB3 PHE A 39 10.013 -6.795 -7.824 1.00 0.00 H new ATOM 0 HD1 PHE A 39 8.845 -7.212 -5.711 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.928 -5.146 -8.903 1.00 0.00 H new ATOM 0 HE1 PHE A 39 6.668 -7.567 -4.632 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.748 -5.502 -7.825 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.618 -6.710 -5.685 1.00 0.00 H new ATOM 629 N ASN A 40 12.003 -5.359 -6.341 1.00 0.00 N ATOM 630 CA ASN A 40 12.809 -5.619 -5.151 1.00 0.00 C ATOM 631 C ASN A 40 13.052 -4.346 -4.342 1.00 0.00 C ATOM 632 O ASN A 40 12.950 -4.352 -3.114 1.00 0.00 O ATOM 633 CB ASN A 40 14.143 -6.253 -5.563 1.00 0.00 C ATOM 634 CG ASN A 40 15.135 -6.377 -4.417 1.00 0.00 C ATOM 635 OD1 ASN A 40 15.107 -7.343 -3.654 1.00 0.00 O ATOM 636 ND2 ASN A 40 16.043 -5.416 -4.316 1.00 0.00 N ATOM 0 H ASN A 40 12.467 -5.604 -7.216 1.00 0.00 H new ATOM 0 HA ASN A 40 12.258 -6.309 -4.512 1.00 0.00 H new ATOM 0 HB2 ASN A 40 13.953 -7.243 -5.977 1.00 0.00 H new ATOM 0 HB3 ASN A 40 14.590 -5.655 -6.357 1.00 0.00 H new ATOM 0 HD21 ASN A 40 16.753 -5.460 -3.585 1.00 0.00 H new ATOM 0 HD22 ASN A 40 16.031 -4.632 -4.969 1.00 0.00 H new ATOM 643 N THR A 41 13.355 -3.251 -5.029 1.00 0.00 N ATOM 644 CA THR A 41 13.651 -1.993 -4.358 1.00 0.00 C ATOM 645 C THR A 41 12.396 -1.393 -3.734 1.00 0.00 C ATOM 646 O THR A 41 12.474 -0.673 -2.738 1.00 0.00 O ATOM 647 CB THR A 41 14.295 -0.978 -5.319 1.00 0.00 C ATOM 648 OG1 THR A 41 13.541 -0.908 -6.530 1.00 0.00 O ATOM 649 CG2 THR A 41 15.733 -1.367 -5.630 1.00 0.00 C ATOM 0 H THR A 41 13.402 -3.209 -6.047 1.00 0.00 H new ATOM 0 HA THR A 41 14.365 -2.215 -3.565 1.00 0.00 H new ATOM 0 HB THR A 41 14.297 -0.001 -4.836 1.00 0.00 H new ATOM 0 HG1 THR A 41 13.955 -0.259 -7.136 1.00 0.00 H new ATOM 0 HG21 THR A 41 16.169 -0.636 -6.311 1.00 0.00 H new ATOM 0 HG22 THR A 41 16.311 -1.392 -4.706 1.00 0.00 H new ATOM 0 HG23 THR A 41 15.751 -2.352 -6.096 1.00 0.00 H new ATOM 657 N TRP A 42 11.239 -1.700 -4.311 1.00 0.00 N ATOM 658 CA TRP A 42 9.971 -1.254 -3.748 1.00 0.00 C ATOM 659 C TRP A 42 9.696 -1.991 -2.446 1.00 0.00 C ATOM 660 O TRP A 42 9.313 -1.389 -1.443 1.00 0.00 O ATOM 661 CB TRP A 42 8.810 -1.501 -4.715 1.00 0.00 C ATOM 662 CG TRP A 42 8.949 -0.822 -6.040 1.00 0.00 C ATOM 663 CD1 TRP A 42 9.796 0.201 -6.365 1.00 0.00 C ATOM 664 CD2 TRP A 42 8.200 -1.114 -7.223 1.00 0.00 C ATOM 665 NE1 TRP A 42 9.625 0.553 -7.680 1.00 0.00 N ATOM 666 CE2 TRP A 42 8.649 -0.239 -8.227 1.00 0.00 C ATOM 667 CE3 TRP A 42 7.196 -2.035 -7.531 1.00 0.00 C ATOM 668 CZ2 TRP A 42 8.127 -0.257 -9.517 1.00 0.00 C ATOM 669 CZ3 TRP A 42 6.680 -2.050 -8.812 1.00 0.00 C ATOM 670 CH2 TRP A 42 7.146 -1.166 -9.789 1.00 0.00 C ATOM 0 H TRP A 42 11.154 -2.253 -5.164 1.00 0.00 H new ATOM 0 HA TRP A 42 10.049 -0.182 -3.566 1.00 0.00 H new ATOM 0 HB2 TRP A 42 8.713 -2.574 -4.880 1.00 0.00 H new ATOM 0 HB3 TRP A 42 7.885 -1.166 -4.245 1.00 0.00 H new ATOM 0 HD1 TRP A 42 10.497 0.664 -5.686 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.140 1.284 -8.170 1.00 0.00 H new ATOM 0 HE3 TRP A 42 6.830 -2.722 -6.782 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 8.485 0.424 -10.275 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 5.903 -2.757 -9.063 1.00 0.00 H new ATOM 0 HH2 TRP A 42 6.721 -1.203 -10.781 1.00 0.00 H new ATOM 681 N CYS A 43 9.917 -3.299 -2.474 1.00 0.00 N ATOM 682 CA CYS A 43 9.649 -4.154 -1.327 1.00 0.00 C ATOM 683 C CYS A 43 10.608 -3.843 -0.180 1.00 0.00 C ATOM 684 O CYS A 43 10.280 -4.046 0.989 1.00 0.00 O ATOM 685 CB CYS A 43 9.766 -5.624 -1.738 1.00 0.00 C ATOM 686 SG CYS A 43 9.212 -6.797 -0.482 1.00 0.00 S ATOM 0 H CYS A 43 10.285 -3.794 -3.287 1.00 0.00 H new ATOM 0 HA CYS A 43 8.635 -3.961 -0.978 1.00 0.00 H new ATOM 0 HB2 CYS A 43 9.185 -5.782 -2.646 1.00 0.00 H new ATOM 0 HB3 CYS A 43 10.806 -5.838 -1.984 1.00 0.00 H new ATOM 0 HG CYS A 43 9.351 -8.010 -0.929 1.00 0.00 H new ATOM 692 N LYS A 44 11.790 -3.346 -0.520 1.00 0.00 N ATOM 693 CA LYS A 44 12.770 -2.964 0.479 1.00 0.00 C ATOM 694 C LYS A 44 12.582 -1.514 0.915 1.00 0.00 C ATOM 695 O LYS A 44 13.320 -1.013 1.765 1.00 0.00 O ATOM 696 CB LYS A 44 14.177 -3.173 -0.069 1.00 0.00 C ATOM 697 CG LYS A 44 14.619 -4.625 -0.066 1.00 0.00 C ATOM 698 CD LYS A 44 16.076 -4.760 -0.479 1.00 0.00 C ATOM 699 CE LYS A 44 16.577 -6.184 -0.304 1.00 0.00 C ATOM 700 NZ LYS A 44 18.035 -6.298 -0.584 1.00 0.00 N ATOM 0 H LYS A 44 12.091 -3.199 -1.484 1.00 0.00 H new ATOM 0 HA LYS A 44 12.627 -3.596 1.355 1.00 0.00 H new ATOM 0 HB2 LYS A 44 14.222 -2.790 -1.089 1.00 0.00 H new ATOM 0 HB3 LYS A 44 14.880 -2.586 0.523 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.480 -5.047 0.929 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.991 -5.200 -0.747 1.00 0.00 H new ATOM 0 HD2 LYS A 44 16.189 -4.459 -1.521 1.00 0.00 H new ATOM 0 HD3 LYS A 44 16.688 -4.083 0.117 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.376 -6.517 0.714 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.026 -6.847 -0.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 18.337 -7.284 -0.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 18.224 -6.004 -1.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 18.563 -5.685 0.069 1.00 0.00 H new ATOM 714 N GLY A 45 11.588 -0.852 0.332 1.00 0.00 N ATOM 715 CA GLY A 45 11.304 0.534 0.670 1.00 0.00 C ATOM 716 C GLY A 45 12.431 1.479 0.305 1.00 0.00 C ATOM 717 O GLY A 45 12.674 2.466 0.999 1.00 0.00 O ATOM 0 H GLY A 45 10.969 -1.252 -0.373 1.00 0.00 H new ATOM 0 HA2 GLY A 45 10.395 0.848 0.157 1.00 0.00 H new ATOM 0 HA3 GLY A 45 11.108 0.608 1.740 1.00 0.00 H new ATOM 721 N ILE A 46 13.111 1.179 -0.791 1.00 0.00 N ATOM 722 CA ILE A 46 14.237 1.985 -1.236 1.00 0.00 C ATOM 723 C ILE A 46 13.759 3.099 -2.162 1.00 0.00 C ATOM 724 O ILE A 46 14.316 4.201 -2.172 1.00 0.00 O ATOM 725 CB ILE A 46 15.288 1.122 -1.972 1.00 0.00 C ATOM 726 CG1 ILE A 46 15.742 -0.038 -1.084 1.00 0.00 C ATOM 727 CG2 ILE A 46 16.481 1.971 -2.389 1.00 0.00 C ATOM 728 CD1 ILE A 46 16.721 -0.974 -1.760 1.00 0.00 C ATOM 0 H ILE A 46 12.902 0.381 -1.390 1.00 0.00 H new ATOM 0 HA ILE A 46 14.701 2.420 -0.351 1.00 0.00 H new ATOM 0 HB ILE A 46 14.828 0.711 -2.871 1.00 0.00 H new ATOM 0 HG12 ILE A 46 16.202 0.365 -0.182 1.00 0.00 H new ATOM 0 HG13 ILE A 46 14.867 -0.607 -0.769 1.00 0.00 H new ATOM 0 HG21 ILE A 46 17.210 1.346 -2.905 1.00 0.00 H new ATOM 0 HG22 ILE A 46 16.147 2.765 -3.056 1.00 0.00 H new ATOM 0 HG23 ILE A 46 16.942 2.410 -1.504 1.00 0.00 H new ATOM 0 HD11 ILE A 46 16.998 -1.771 -1.070 1.00 0.00 H new ATOM 0 HD12 ILE A 46 16.258 -1.406 -2.647 1.00 0.00 H new ATOM 0 HD13 ILE A 46 17.613 -0.419 -2.051 1.00 0.00 H new ATOM 740 N ALA A 47 12.722 2.811 -2.936 1.00 0.00 N ATOM 741 CA ALA A 47 12.201 3.771 -3.895 1.00 0.00 C ATOM 742 C ALA A 47 10.702 3.585 -4.099 1.00 0.00 C ATOM 743 O ALA A 47 10.176 2.484 -3.931 1.00 0.00 O ATOM 744 CB ALA A 47 12.934 3.642 -5.223 1.00 0.00 C ATOM 0 H ALA A 47 12.226 1.920 -2.918 1.00 0.00 H new ATOM 0 HA ALA A 47 12.367 4.771 -3.495 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.533 4.367 -5.932 1.00 0.00 H new ATOM 0 HB2 ALA A 47 13.997 3.831 -5.072 1.00 0.00 H new ATOM 0 HB3 ALA A 47 12.797 2.635 -5.618 1.00 0.00 H new ATOM 750 N ILE A 48 10.023 4.671 -4.435 1.00 0.00 N ATOM 751 CA ILE A 48 8.610 4.613 -4.777 1.00 0.00 C ATOM 752 C ILE A 48 8.431 4.822 -6.277 1.00 0.00 C ATOM 753 O ILE A 48 8.937 5.797 -6.840 1.00 0.00 O ATOM 754 CB ILE A 48 7.783 5.668 -4.003 1.00 0.00 C ATOM 755 CG1 ILE A 48 7.761 5.338 -2.510 1.00 0.00 C ATOM 756 CG2 ILE A 48 6.360 5.754 -4.548 1.00 0.00 C ATOM 757 CD1 ILE A 48 7.014 6.358 -1.672 1.00 0.00 C ATOM 0 H ILE A 48 10.429 5.606 -4.478 1.00 0.00 H new ATOM 0 HA ILE A 48 8.243 3.627 -4.492 1.00 0.00 H new ATOM 0 HB ILE A 48 8.259 6.639 -4.141 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.302 4.359 -2.370 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.786 5.264 -2.148 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.800 6.502 -3.987 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.390 6.037 -5.600 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.872 4.785 -4.446 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.040 6.058 -0.624 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.486 7.335 -1.782 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.978 6.416 -2.007 1.00 0.00 H new ATOM 769 N PRO A 49 7.720 3.898 -6.941 1.00 0.00 N ATOM 770 CA PRO A 49 7.458 3.972 -8.380 1.00 0.00 C ATOM 771 C PRO A 49 6.650 5.209 -8.754 1.00 0.00 C ATOM 772 O PRO A 49 6.087 5.881 -7.890 1.00 0.00 O ATOM 773 CB PRO A 49 6.651 2.702 -8.669 1.00 0.00 C ATOM 774 CG PRO A 49 6.085 2.297 -7.352 1.00 0.00 C ATOM 775 CD PRO A 49 7.106 2.708 -6.333 1.00 0.00 C ATOM 0 HA PRO A 49 8.380 4.043 -8.956 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.862 2.893 -9.396 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.284 1.918 -9.084 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.129 2.787 -7.169 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.905 1.223 -7.316 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.647 2.937 -5.371 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.839 1.921 -6.156 1.00 0.00 H new ATOM 783 N ARG A 50 6.600 5.512 -10.041 1.00 0.00 N ATOM 784 CA ARG A 50 5.832 6.653 -10.515 1.00 0.00 C ATOM 785 C ARG A 50 4.342 6.327 -10.500 1.00 0.00 C ATOM 786 O ARG A 50 3.957 5.169 -10.313 1.00 0.00 O ATOM 787 CB ARG A 50 6.282 7.067 -11.919 1.00 0.00 C ATOM 788 CG ARG A 50 7.740 7.517 -12.012 1.00 0.00 C ATOM 789 CD ARG A 50 8.051 8.691 -11.086 1.00 0.00 C ATOM 790 NE ARG A 50 8.193 8.273 -9.689 1.00 0.00 N ATOM 791 CZ ARG A 50 7.777 8.993 -8.646 1.00 0.00 C ATOM 792 NH1 ARG A 50 7.223 10.184 -8.839 1.00 0.00 N ATOM 793 NH2 ARG A 50 7.909 8.519 -7.411 1.00 0.00 N ATOM 0 H ARG A 50 7.079 4.987 -10.773 1.00 0.00 H new ATOM 0 HA ARG A 50 6.011 7.493 -9.844 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.130 6.227 -12.597 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.642 7.878 -12.267 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.392 6.680 -11.763 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.964 7.800 -13.040 1.00 0.00 H new ATOM 0 HD2 ARG A 50 8.971 9.176 -11.413 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.255 9.432 -11.162 1.00 0.00 H new ATOM 0 HE ARG A 50 8.638 7.375 -9.502 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.115 10.549 -9.785 1.00 0.00 H new ATOM 0 HH12 ARG A 50 6.905 10.734 -8.041 1.00 0.00 H new ATOM 0 HH21 ARG A 50 8.329 7.602 -7.259 1.00 0.00 H new ATOM 0 HH22 ARG A 50 7.590 9.072 -6.616 1.00 0.00 H new ATOM 807 N MET A 51 3.515 7.346 -10.715 1.00 0.00 N ATOM 808 CA MET A 51 2.061 7.212 -10.614 1.00 0.00 C ATOM 809 C MET A 51 1.534 6.075 -11.483 1.00 0.00 C ATOM 810 O MET A 51 0.638 5.335 -11.072 1.00 0.00 O ATOM 811 CB MET A 51 1.383 8.524 -11.014 1.00 0.00 C ATOM 812 CG MET A 51 -0.135 8.468 -10.950 1.00 0.00 C ATOM 813 SD MET A 51 -0.911 9.996 -11.505 1.00 0.00 S ATOM 814 CE MET A 51 -0.378 10.049 -13.214 1.00 0.00 C ATOM 0 H MET A 51 3.829 8.284 -10.963 1.00 0.00 H new ATOM 0 HA MET A 51 1.825 6.977 -9.576 1.00 0.00 H new ATOM 0 HB2 MET A 51 1.737 9.321 -10.360 1.00 0.00 H new ATOM 0 HB3 MET A 51 1.686 8.786 -12.028 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.490 7.641 -11.565 1.00 0.00 H new ATOM 0 HG3 MET A 51 -0.444 8.260 -9.926 1.00 0.00 H new ATOM 0 HE1 MET A 51 -1.046 10.695 -13.784 1.00 0.00 H new ATOM 0 HE2 MET A 51 0.638 10.441 -13.266 1.00 0.00 H new ATOM 0 HE3 MET A 51 -0.400 9.043 -13.633 1.00 0.00 H new ATOM 824 N GLY A 52 2.108 5.929 -12.673 1.00 0.00 N ATOM 825 CA GLY A 52 1.662 4.904 -13.600 1.00 0.00 C ATOM 826 C GLY A 52 1.814 3.499 -13.043 1.00 0.00 C ATOM 827 O GLY A 52 1.042 2.604 -13.381 1.00 0.00 O ATOM 0 H GLY A 52 2.878 6.505 -13.013 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.616 5.079 -13.852 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.231 4.986 -14.526 1.00 0.00 H new ATOM 831 N LYS A 53 2.802 3.308 -12.182 1.00 0.00 N ATOM 832 CA LYS A 53 3.066 2.001 -11.608 1.00 0.00 C ATOM 833 C LYS A 53 2.375 1.834 -10.263 1.00 0.00 C ATOM 834 O LYS A 53 1.930 0.737 -9.925 1.00 0.00 O ATOM 835 CB LYS A 53 4.570 1.779 -11.478 1.00 0.00 C ATOM 836 CG LYS A 53 5.250 1.579 -12.820 1.00 0.00 C ATOM 837 CD LYS A 53 6.764 1.593 -12.702 1.00 0.00 C ATOM 838 CE LYS A 53 7.421 1.335 -14.051 1.00 0.00 C ATOM 839 NZ LYS A 53 6.918 2.260 -15.105 1.00 0.00 N ATOM 0 H LYS A 53 3.434 4.044 -11.866 1.00 0.00 H new ATOM 0 HA LYS A 53 2.657 1.246 -12.280 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.017 2.635 -10.973 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.752 0.907 -10.850 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.929 0.630 -13.250 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.933 2.364 -13.507 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.093 2.556 -12.312 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.083 0.834 -11.987 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.501 1.448 -13.955 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.234 0.305 -14.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.526 2.192 -15.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.944 1.999 -15.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.932 3.236 -14.746 1.00 0.00 H new ATOM 853 N VAL A 54 2.268 2.919 -9.502 1.00 0.00 N ATOM 854 CA VAL A 54 1.557 2.881 -8.226 1.00 0.00 C ATOM 855 C VAL A 54 0.092 2.533 -8.461 1.00 0.00 C ATOM 856 O VAL A 54 -0.487 1.697 -7.762 1.00 0.00 O ATOM 857 CB VAL A 54 1.652 4.228 -7.473 1.00 0.00 C ATOM 858 CG1 VAL A 54 0.880 4.175 -6.163 1.00 0.00 C ATOM 859 CG2 VAL A 54 3.104 4.599 -7.215 1.00 0.00 C ATOM 0 H VAL A 54 2.661 3.829 -9.743 1.00 0.00 H new ATOM 0 HA VAL A 54 2.029 2.117 -7.609 1.00 0.00 H new ATOM 0 HB VAL A 54 1.204 4.996 -8.104 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.963 5.135 -5.653 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.169 3.962 -6.367 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.293 3.390 -5.529 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.148 5.550 -6.684 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.576 3.824 -6.611 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.631 4.689 -8.165 1.00 0.00 H new ATOM 869 N GLN A 55 -0.496 3.163 -9.470 1.00 0.00 N ATOM 870 CA GLN A 55 -1.872 2.885 -9.839 1.00 0.00 C ATOM 871 C GLN A 55 -2.012 1.445 -10.322 1.00 0.00 C ATOM 872 O GLN A 55 -2.992 0.777 -10.010 1.00 0.00 O ATOM 873 CB GLN A 55 -2.336 3.867 -10.915 1.00 0.00 C ATOM 874 CG GLN A 55 -3.757 3.631 -11.413 1.00 0.00 C ATOM 875 CD GLN A 55 -4.796 3.600 -10.300 1.00 0.00 C ATOM 876 OE1 GLN A 55 -4.629 4.223 -9.251 1.00 0.00 O ATOM 877 NE2 GLN A 55 -5.882 2.873 -10.524 1.00 0.00 N ATOM 0 H GLN A 55 -0.039 3.870 -10.046 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.505 3.011 -8.961 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.266 4.880 -10.519 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.653 3.808 -11.762 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -4.020 4.416 -12.122 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.791 2.687 -11.956 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -5.986 2.370 -11.405 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -6.613 2.817 -9.815 1.00 0.00 H new ATOM 886 N ALA A 56 -1.011 0.966 -11.058 1.00 0.00 N ATOM 887 CA ALA A 56 -1.016 -0.401 -11.572 1.00 0.00 C ATOM 888 C ALA A 56 -0.990 -1.413 -10.428 1.00 0.00 C ATOM 889 O ALA A 56 -1.693 -2.424 -10.467 1.00 0.00 O ATOM 890 CB ALA A 56 0.166 -0.615 -12.509 1.00 0.00 C ATOM 0 H ALA A 56 -0.184 1.507 -11.312 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.937 -0.555 -12.134 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.151 -1.638 -12.886 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.098 0.081 -13.345 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.096 -0.441 -11.967 1.00 0.00 H new ATOM 896 N LEU A 57 -0.184 -1.128 -9.409 1.00 0.00 N ATOM 897 CA LEU A 57 -0.091 -1.984 -8.234 1.00 0.00 C ATOM 898 C LEU A 57 -1.444 -2.088 -7.540 1.00 0.00 C ATOM 899 O LEU A 57 -1.951 -3.184 -7.305 1.00 0.00 O ATOM 900 CB LEU A 57 0.954 -1.431 -7.258 1.00 0.00 C ATOM 901 CG LEU A 57 2.403 -1.475 -7.749 1.00 0.00 C ATOM 902 CD1 LEU A 57 3.319 -0.764 -6.765 1.00 0.00 C ATOM 903 CD2 LEU A 57 2.856 -2.914 -7.954 1.00 0.00 C ATOM 0 H LEU A 57 0.417 -0.305 -9.375 1.00 0.00 H new ATOM 0 HA LEU A 57 0.214 -2.979 -8.557 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.698 -0.397 -7.027 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.888 -1.992 -6.326 1.00 0.00 H new ATOM 0 HG LEU A 57 2.457 -0.959 -8.707 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.346 -0.804 -7.129 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.010 0.277 -6.667 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.259 -1.254 -5.793 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.889 -2.924 -8.303 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.787 -3.455 -7.010 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.218 -3.394 -8.695 1.00 0.00 H new ATOM 915 N ALA A 58 -2.039 -0.936 -7.255 1.00 0.00 N ATOM 916 CA ALA A 58 -3.324 -0.885 -6.571 1.00 0.00 C ATOM 917 C ALA A 58 -4.428 -1.505 -7.422 1.00 0.00 C ATOM 918 O ALA A 58 -5.316 -2.188 -6.911 1.00 0.00 O ATOM 919 CB ALA A 58 -3.673 0.550 -6.217 1.00 0.00 C ATOM 0 H ALA A 58 -1.650 -0.022 -7.488 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.242 -1.467 -5.653 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.636 0.575 -5.706 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.904 0.961 -5.562 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.730 1.146 -7.128 1.00 0.00 H new ATOM 925 N ASP A 59 -4.351 -1.274 -8.724 1.00 0.00 N ATOM 926 CA ASP A 59 -5.348 -1.772 -9.669 1.00 0.00 C ATOM 927 C ASP A 59 -5.320 -3.296 -9.736 1.00 0.00 C ATOM 928 O ASP A 59 -6.357 -3.945 -9.866 1.00 0.00 O ATOM 929 CB ASP A 59 -5.078 -1.176 -11.054 1.00 0.00 C ATOM 930 CG ASP A 59 -6.198 -1.408 -12.043 1.00 0.00 C ATOM 931 OD1 ASP A 59 -7.232 -0.710 -11.949 1.00 0.00 O ATOM 932 OD2 ASP A 59 -6.038 -2.261 -12.940 1.00 0.00 O ATOM 0 H ASP A 59 -3.599 -0.738 -9.158 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.338 -1.468 -9.329 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.911 -0.104 -10.952 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.159 -1.606 -11.452 1.00 0.00 H new ATOM 937 N TYR A 60 -4.127 -3.862 -9.620 1.00 0.00 N ATOM 938 CA TYR A 60 -3.955 -5.307 -9.706 1.00 0.00 C ATOM 939 C TYR A 60 -4.440 -5.999 -8.433 1.00 0.00 C ATOM 940 O TYR A 60 -4.974 -7.104 -8.485 1.00 0.00 O ATOM 941 CB TYR A 60 -2.488 -5.651 -9.953 1.00 0.00 C ATOM 942 CG TYR A 60 -2.262 -7.091 -10.362 1.00 0.00 C ATOM 943 CD1 TYR A 60 -2.517 -7.509 -11.663 1.00 0.00 C ATOM 944 CD2 TYR A 60 -1.796 -8.032 -9.450 1.00 0.00 C ATOM 945 CE1 TYR A 60 -2.317 -8.822 -12.042 1.00 0.00 C ATOM 946 CE2 TYR A 60 -1.594 -9.348 -9.822 1.00 0.00 C ATOM 947 CZ TYR A 60 -1.855 -9.737 -11.119 1.00 0.00 C ATOM 948 OH TYR A 60 -1.653 -11.045 -11.497 1.00 0.00 O ATOM 0 H TYR A 60 -3.263 -3.343 -9.466 1.00 0.00 H new ATOM 0 HA TYR A 60 -4.556 -5.665 -10.542 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.096 -4.996 -10.731 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.918 -5.446 -9.047 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.877 -6.795 -12.389 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.588 -7.730 -8.434 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -2.521 -9.131 -13.056 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -1.234 -10.067 -9.101 1.00 0.00 H new ATOM 0 HH TYR A 60 -1.325 -11.560 -10.731 1.00 0.00 H new ATOM 958 N PHE A 61 -4.256 -5.340 -7.296 1.00 0.00 N ATOM 959 CA PHE A 61 -4.663 -5.905 -6.009 1.00 0.00 C ATOM 960 C PHE A 61 -6.126 -5.591 -5.715 1.00 0.00 C ATOM 961 O PHE A 61 -6.687 -6.079 -4.731 1.00 0.00 O ATOM 962 CB PHE A 61 -3.785 -5.368 -4.872 1.00 0.00 C ATOM 963 CG PHE A 61 -2.416 -5.989 -4.788 1.00 0.00 C ATOM 964 CD1 PHE A 61 -2.242 -7.241 -4.218 1.00 0.00 C ATOM 965 CD2 PHE A 61 -1.306 -5.310 -5.255 1.00 0.00 C ATOM 966 CE1 PHE A 61 -0.983 -7.803 -4.117 1.00 0.00 C ATOM 967 CE2 PHE A 61 -0.044 -5.866 -5.162 1.00 0.00 C ATOM 968 CZ PHE A 61 0.118 -7.114 -4.591 1.00 0.00 C ATOM 0 H PHE A 61 -3.829 -4.416 -7.235 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.538 -6.986 -6.072 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.674 -4.291 -4.995 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.301 -5.529 -3.925 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.100 -7.783 -3.849 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -1.427 -4.333 -5.698 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.860 -8.778 -3.669 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.814 -5.326 -5.535 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.103 -7.550 -4.515 1.00 0.00 H new ATOM 978 N ASN A 62 -6.731 -4.787 -6.587 1.00 0.00 N ATOM 979 CA ASN A 62 -8.096 -4.296 -6.399 1.00 0.00 C ATOM 980 C ASN A 62 -8.186 -3.498 -5.098 1.00 0.00 C ATOM 981 O ASN A 62 -8.979 -3.804 -4.208 1.00 0.00 O ATOM 982 CB ASN A 62 -9.110 -5.453 -6.410 1.00 0.00 C ATOM 983 CG ASN A 62 -10.557 -4.976 -6.440 1.00 0.00 C ATOM 984 OD1 ASN A 62 -11.171 -4.752 -5.399 1.00 0.00 O ATOM 985 ND2 ASN A 62 -11.125 -4.845 -7.630 1.00 0.00 N ATOM 0 H ASN A 62 -6.289 -4.457 -7.445 1.00 0.00 H new ATOM 0 HA ASN A 62 -8.346 -3.638 -7.231 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -8.923 -6.084 -7.279 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -8.956 -6.073 -5.527 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -12.099 -4.551 -7.701 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -10.588 -5.039 -8.475 1.00 0.00 H new ATOM 992 N ILE A 63 -7.333 -2.491 -4.989 1.00 0.00 N ATOM 993 CA ILE A 63 -7.305 -1.614 -3.828 1.00 0.00 C ATOM 994 C ILE A 63 -7.123 -0.169 -4.278 1.00 0.00 C ATOM 995 O ILE A 63 -6.949 0.099 -5.469 1.00 0.00 O ATOM 996 CB ILE A 63 -6.172 -1.982 -2.837 1.00 0.00 C ATOM 997 CG1 ILE A 63 -4.806 -1.939 -3.538 1.00 0.00 C ATOM 998 CG2 ILE A 63 -6.424 -3.352 -2.218 1.00 0.00 C ATOM 999 CD1 ILE A 63 -3.630 -2.163 -2.607 1.00 0.00 C ATOM 0 H ILE A 63 -6.641 -2.259 -5.702 1.00 0.00 H new ATOM 0 HA ILE A 63 -8.256 -1.737 -3.309 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.164 -1.245 -2.034 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.786 -2.697 -4.321 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.690 -0.972 -4.028 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -5.617 -3.592 -1.525 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.372 -3.340 -1.681 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -6.463 -4.105 -3.005 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.702 -2.118 -3.176 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.622 -1.390 -1.838 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.720 -3.142 -2.136 1.00 0.00 H new ATOM 1011 N ASN A 64 -7.161 0.754 -3.332 1.00 0.00 N ATOM 1012 CA ASN A 64 -6.976 2.164 -3.638 1.00 0.00 C ATOM 1013 C ASN A 64 -5.510 2.524 -3.459 1.00 0.00 C ATOM 1014 O ASN A 64 -4.831 1.955 -2.605 1.00 0.00 O ATOM 1015 CB ASN A 64 -7.830 3.045 -2.715 1.00 0.00 C ATOM 1016 CG ASN A 64 -9.263 2.560 -2.582 1.00 0.00 C ATOM 1017 OD1 ASN A 64 -10.143 2.949 -3.350 1.00 0.00 O ATOM 1018 ND2 ASN A 64 -9.510 1.717 -1.590 1.00 0.00 N ATOM 0 H ASN A 64 -7.318 0.553 -2.344 1.00 0.00 H new ATOM 0 HA ASN A 64 -7.287 2.340 -4.668 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.371 3.077 -1.727 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.833 4.065 -3.098 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -10.457 1.367 -1.442 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -8.754 1.418 -0.975 1.00 0.00 H new ATOM 1025 N LYS A 65 -5.013 3.461 -4.257 1.00 0.00 N ATOM 1026 CA LYS A 65 -3.640 3.926 -4.094 1.00 0.00 C ATOM 1027 C LYS A 65 -3.459 4.548 -2.712 1.00 0.00 C ATOM 1028 O LYS A 65 -2.379 4.486 -2.129 1.00 0.00 O ATOM 1029 CB LYS A 65 -3.250 4.926 -5.190 1.00 0.00 C ATOM 1030 CG LYS A 65 -4.143 6.152 -5.267 1.00 0.00 C ATOM 1031 CD LYS A 65 -3.527 7.228 -6.145 1.00 0.00 C ATOM 1032 CE LYS A 65 -4.460 8.416 -6.323 1.00 0.00 C ATOM 1033 NZ LYS A 65 -5.620 8.091 -7.193 1.00 0.00 N ATOM 0 H LYS A 65 -5.531 3.909 -5.013 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.979 3.064 -4.186 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.223 5.250 -5.021 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.269 4.416 -6.153 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.118 5.870 -5.664 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.309 6.548 -4.265 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -2.590 7.565 -5.703 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.285 6.806 -7.121 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.820 8.743 -5.347 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.906 9.250 -6.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -6.155 8.959 -7.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.280 7.676 -8.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.238 7.410 -6.707 1.00 0.00 H new ATOM 1047 N SER A 66 -4.539 5.121 -2.186 1.00 0.00 N ATOM 1048 CA SER A 66 -4.536 5.715 -0.857 1.00 0.00 C ATOM 1049 C SER A 66 -4.181 4.682 0.215 1.00 0.00 C ATOM 1050 O SER A 66 -3.608 5.026 1.247 1.00 0.00 O ATOM 1051 CB SER A 66 -5.907 6.324 -0.567 1.00 0.00 C ATOM 1052 OG SER A 66 -6.314 7.175 -1.627 1.00 0.00 O ATOM 0 H SER A 66 -5.435 5.185 -2.668 1.00 0.00 H new ATOM 0 HA SER A 66 -3.775 6.495 -0.831 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.641 5.530 -0.430 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.870 6.888 0.365 1.00 0.00 H new ATOM 0 HG SER A 66 -7.195 7.553 -1.423 1.00 0.00 H new ATOM 1058 N ASP A 67 -4.493 3.413 -0.052 1.00 0.00 N ATOM 1059 CA ASP A 67 -4.208 2.339 0.896 1.00 0.00 C ATOM 1060 C ASP A 67 -2.707 2.105 1.014 1.00 0.00 C ATOM 1061 O ASP A 67 -2.228 1.584 2.018 1.00 0.00 O ATOM 1062 CB ASP A 67 -4.894 1.032 0.479 1.00 0.00 C ATOM 1063 CG ASP A 67 -6.405 1.092 0.579 1.00 0.00 C ATOM 1064 OD1 ASP A 67 -6.925 1.244 1.703 1.00 0.00 O ATOM 1065 OD2 ASP A 67 -7.083 0.959 -0.463 1.00 0.00 O ATOM 0 H ASP A 67 -4.942 3.106 -0.915 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.601 2.649 1.864 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.614 0.793 -0.547 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.527 0.220 1.107 1.00 0.00 H new ATOM 1070 N LEU A 68 -1.970 2.475 -0.026 1.00 0.00 N ATOM 1071 CA LEU A 68 -0.523 2.291 -0.044 1.00 0.00 C ATOM 1072 C LEU A 68 0.202 3.542 0.445 1.00 0.00 C ATOM 1073 O LEU A 68 1.339 3.470 0.904 1.00 0.00 O ATOM 1074 CB LEU A 68 -0.057 1.946 -1.460 1.00 0.00 C ATOM 1075 CG LEU A 68 -0.621 0.647 -2.035 1.00 0.00 C ATOM 1076 CD1 LEU A 68 -0.148 0.451 -3.468 1.00 0.00 C ATOM 1077 CD2 LEU A 68 -0.217 -0.539 -1.172 1.00 0.00 C ATOM 0 H LEU A 68 -2.350 2.905 -0.869 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.281 1.470 0.631 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.329 2.766 -2.124 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.031 1.882 -1.461 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.709 0.714 -2.037 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.558 -0.478 -3.863 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.487 1.286 -4.081 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.941 0.404 -3.489 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.628 -1.455 -1.597 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.870 -0.610 -1.138 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.604 -0.403 -0.162 1.00 0.00 H new ATOM 1089 N ILE A 69 -0.462 4.685 0.336 1.00 0.00 N ATOM 1090 CA ILE A 69 0.153 5.964 0.672 1.00 0.00 C ATOM 1091 C ILE A 69 -0.036 6.310 2.151 1.00 0.00 C ATOM 1092 O ILE A 69 0.888 6.794 2.808 1.00 0.00 O ATOM 1093 CB ILE A 69 -0.422 7.106 -0.198 1.00 0.00 C ATOM 1094 CG1 ILE A 69 -0.199 6.805 -1.684 1.00 0.00 C ATOM 1095 CG2 ILE A 69 0.210 8.441 0.174 1.00 0.00 C ATOM 1096 CD1 ILE A 69 1.261 6.655 -2.071 1.00 0.00 C ATOM 0 H ILE A 69 -1.428 4.753 0.017 1.00 0.00 H new ATOM 0 HA ILE A 69 1.219 5.862 0.470 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.494 7.173 -0.011 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.729 5.888 -1.942 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.641 7.606 -2.277 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.210 9.229 -0.451 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.005 8.661 1.222 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.288 8.390 0.018 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.335 6.443 -3.138 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.794 7.579 -1.847 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.705 5.835 -1.507 1.00 0.00 H new ATOM 1108 N GLU A 70 -1.232 6.069 2.671 1.00 0.00 N ATOM 1109 CA GLU A 70 -1.546 6.419 4.041 1.00 0.00 C ATOM 1110 C GLU A 70 -1.159 5.297 4.997 1.00 0.00 C ATOM 1111 O GLU A 70 -1.183 4.126 4.634 1.00 0.00 O ATOM 1112 CB GLU A 70 -3.028 6.739 4.148 1.00 0.00 C ATOM 1113 CG GLU A 70 -3.450 7.878 3.236 1.00 0.00 C ATOM 1114 CD GLU A 70 -4.928 8.173 3.309 1.00 0.00 C ATOM 1115 OE1 GLU A 70 -5.719 7.414 2.718 1.00 0.00 O ATOM 1116 OE2 GLU A 70 -5.308 9.176 3.944 1.00 0.00 O ATOM 0 H GLU A 70 -1.999 5.632 2.160 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.968 7.298 4.325 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.606 5.849 3.902 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.266 6.998 5.180 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -2.892 8.776 3.502 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.184 7.631 2.208 1.00 0.00 H new ATOM 1123 N ASP A 71 -0.811 5.676 6.218 1.00 0.00 N ATOM 1124 CA ASP A 71 -0.308 4.734 7.216 1.00 0.00 C ATOM 1125 C ASP A 71 -1.402 3.755 7.637 1.00 0.00 C ATOM 1126 O ASP A 71 -2.588 4.078 7.581 1.00 0.00 O ATOM 1127 CB ASP A 71 0.198 5.506 8.441 1.00 0.00 C ATOM 1128 CG ASP A 71 1.051 4.666 9.376 1.00 0.00 C ATOM 1129 OD1 ASP A 71 0.500 3.803 10.092 1.00 0.00 O ATOM 1130 OD2 ASP A 71 2.276 4.884 9.421 1.00 0.00 O ATOM 0 H ASP A 71 -0.868 6.640 6.547 1.00 0.00 H new ATOM 0 HA ASP A 71 0.512 4.165 6.777 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.779 6.365 8.105 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.657 5.896 8.994 1.00 0.00 H new ATOM 1135 N LYS A 72 -1.000 2.570 8.083 1.00 0.00 N ATOM 1136 CA LYS A 72 -1.944 1.542 8.512 1.00 0.00 C ATOM 1137 C LYS A 72 -2.472 1.825 9.922 1.00 0.00 C ATOM 1138 O LYS A 72 -2.647 0.913 10.732 1.00 0.00 O ATOM 1139 CB LYS A 72 -1.291 0.158 8.458 1.00 0.00 C ATOM 1140 CG LYS A 72 -1.098 -0.369 7.044 1.00 0.00 C ATOM 1141 CD LYS A 72 -0.537 -1.781 7.041 1.00 0.00 C ATOM 1142 CE LYS A 72 0.898 -1.817 7.540 1.00 0.00 C ATOM 1143 NZ LYS A 72 1.403 -3.209 7.683 1.00 0.00 N ATOM 0 H LYS A 72 -0.020 2.295 8.157 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.790 1.559 7.825 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.322 0.203 8.956 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.905 -0.547 9.019 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.052 -0.356 6.518 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.424 0.291 6.499 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.157 -2.420 7.670 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.581 -2.188 6.031 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.537 -1.269 6.847 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.960 -1.308 8.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.433 -3.192 7.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.947 -3.661 8.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.182 -3.749 6.822 1.00 0.00 H new ATOM 1157 N LYS A 73 -2.768 3.091 10.186 1.00 0.00 N ATOM 1158 CA LYS A 73 -3.350 3.518 11.449 1.00 0.00 C ATOM 1159 C LYS A 73 -4.860 3.328 11.415 1.00 0.00 C ATOM 1160 O LYS A 73 -5.619 4.221 11.790 1.00 0.00 O ATOM 1161 CB LYS A 73 -3.024 4.988 11.704 1.00 0.00 C ATOM 1162 CG LYS A 73 -1.552 5.265 11.953 1.00 0.00 C ATOM 1163 CD LYS A 73 -1.064 4.608 13.235 1.00 0.00 C ATOM 1164 CE LYS A 73 0.369 5.005 13.546 1.00 0.00 C ATOM 1165 NZ LYS A 73 1.333 4.495 12.535 1.00 0.00 N ATOM 0 H LYS A 73 -2.610 3.853 9.526 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.930 2.913 12.253 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -3.353 5.575 10.847 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -3.598 5.332 12.565 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -0.965 4.899 11.110 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.389 6.341 12.011 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -1.712 4.896 14.063 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.131 3.524 13.139 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.439 6.092 13.595 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.643 4.624 14.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.015 3.860 12.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.818 3.974 11.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.840 5.294 12.105 1.00 0.00 H new ATOM 1179 N LEU A 74 -5.280 2.155 10.958 1.00 0.00 N ATOM 1180 CA LEU A 74 -6.680 1.858 10.723 1.00 0.00 C ATOM 1181 C LEU A 74 -7.472 1.728 12.021 1.00 0.00 C ATOM 1182 O LEU A 74 -7.796 0.629 12.468 1.00 0.00 O ATOM 1183 CB LEU A 74 -6.806 0.579 9.899 1.00 0.00 C ATOM 1184 CG LEU A 74 -6.195 0.643 8.495 1.00 0.00 C ATOM 1185 CD1 LEU A 74 -6.356 -0.690 7.784 1.00 0.00 C ATOM 1186 CD2 LEU A 74 -6.837 1.761 7.686 1.00 0.00 C ATOM 0 H LEU A 74 -4.652 1.381 10.740 1.00 0.00 H new ATOM 0 HA LEU A 74 -7.105 2.696 10.171 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.332 -0.235 10.447 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -7.863 0.328 9.807 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.130 0.855 8.591 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.917 -0.627 6.788 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.852 -1.470 8.354 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.416 -0.931 7.698 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -6.392 1.793 6.692 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -7.908 1.578 7.598 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.672 2.714 8.188 1.00 0.00 H new ATOM 1198 N ASN A 75 -7.734 2.866 12.635 1.00 0.00 N ATOM 1199 CA ASN A 75 -8.661 2.959 13.747 1.00 0.00 C ATOM 1200 C ASN A 75 -9.803 3.869 13.335 1.00 0.00 C ATOM 1201 O ASN A 75 -9.627 5.084 13.229 1.00 0.00 O ATOM 1202 CB ASN A 75 -7.972 3.506 15.002 1.00 0.00 C ATOM 1203 CG ASN A 75 -8.909 3.569 16.201 1.00 0.00 C ATOM 1204 OD1 ASN A 75 -9.607 4.559 16.409 1.00 0.00 O ATOM 1205 ND2 ASN A 75 -8.922 2.521 17.012 1.00 0.00 N ATOM 0 H ASN A 75 -7.308 3.756 12.376 1.00 0.00 H new ATOM 0 HA ASN A 75 -9.035 1.965 13.991 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.116 2.877 15.246 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.585 4.504 14.795 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -9.523 2.521 17.836 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -8.331 1.714 16.812 1.00 0.00 H new ATOM 1212 N ILE A 76 -10.957 3.271 13.064 1.00 0.00 N ATOM 1213 CA ILE A 76 -12.094 4.004 12.523 1.00 0.00 C ATOM 1214 C ILE A 76 -12.507 5.154 13.439 1.00 0.00 C ATOM 1215 O ILE A 76 -12.720 4.973 14.639 1.00 0.00 O ATOM 1216 CB ILE A 76 -13.308 3.079 12.283 1.00 0.00 C ATOM 1217 CG1 ILE A 76 -12.907 1.882 11.412 1.00 0.00 C ATOM 1218 CG2 ILE A 76 -14.448 3.854 11.634 1.00 0.00 C ATOM 1219 CD1 ILE A 76 -12.392 2.268 10.039 1.00 0.00 C ATOM 0 H ILE A 76 -11.130 2.277 13.211 1.00 0.00 H new ATOM 0 HA ILE A 76 -11.770 4.413 11.566 1.00 0.00 H new ATOM 0 HB ILE A 76 -13.652 2.703 13.247 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -12.138 1.309 11.930 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -13.769 1.225 11.295 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -15.295 3.187 11.472 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -14.750 4.672 12.288 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -14.116 4.257 10.678 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -12.129 1.368 9.483 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -13.166 2.814 9.500 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -11.510 2.899 10.146 1.00 0.00 H new ATOM 1231 N ASP A 77 -12.613 6.326 12.845 1.00 0.00 N ATOM 1232 CA ASP A 77 -13.023 7.531 13.522 1.00 0.00 C ATOM 1233 C ASP A 77 -13.926 8.287 12.577 1.00 0.00 C ATOM 1234 O ASP A 77 -13.546 8.560 11.433 1.00 0.00 O ATOM 1235 CB ASP A 77 -11.814 8.387 13.920 1.00 0.00 C ATOM 1236 CG ASP A 77 -12.215 9.680 14.605 1.00 0.00 C ATOM 1237 OD1 ASP A 77 -12.669 9.626 15.768 1.00 0.00 O ATOM 1238 OD2 ASP A 77 -12.072 10.758 13.986 1.00 0.00 O ATOM 0 H ASP A 77 -12.411 6.466 11.855 1.00 0.00 H new ATOM 0 HA ASP A 77 -13.547 7.285 14.445 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -11.170 7.812 14.585 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -11.228 8.618 13.030 1.00 0.00 H new ATOM 1243 N THR A 78 -15.115 8.583 13.061 1.00 0.00 N ATOM 1244 CA THR A 78 -16.189 9.152 12.254 1.00 0.00 C ATOM 1245 C THR A 78 -15.689 10.252 11.316 1.00 0.00 C ATOM 1246 O THR A 78 -15.040 11.217 11.731 1.00 0.00 O ATOM 1247 CB THR A 78 -17.333 9.687 13.146 1.00 0.00 C ATOM 1248 OG1 THR A 78 -18.375 10.246 12.337 1.00 0.00 O ATOM 1249 CG2 THR A 78 -16.837 10.732 14.138 1.00 0.00 C ATOM 0 H THR A 78 -15.371 8.435 14.037 1.00 0.00 H new ATOM 0 HA THR A 78 -16.576 8.343 11.635 1.00 0.00 H new ATOM 0 HB THR A 78 -17.724 8.843 13.714 1.00 0.00 H new ATOM 0 HG1 THR A 78 -19.094 10.579 12.914 1.00 0.00 H new ATOM 0 HG21 THR A 78 -17.672 11.082 14.745 1.00 0.00 H new ATOM 0 HG22 THR A 78 -16.079 10.289 14.784 1.00 0.00 H new ATOM 0 HG23 THR A 78 -16.405 11.573 13.595 1.00 0.00 H new ATOM 1257 N VAL A 79 -15.991 10.070 10.038 1.00 0.00 N ATOM 1258 CA VAL A 79 -15.499 10.941 8.986 1.00 0.00 C ATOM 1259 C VAL A 79 -16.657 11.629 8.254 1.00 0.00 C ATOM 1260 O VAL A 79 -17.209 11.097 7.291 1.00 0.00 O ATOM 1261 CB VAL A 79 -14.592 10.166 7.989 1.00 0.00 C ATOM 1262 CG1 VAL A 79 -15.265 8.889 7.501 1.00 0.00 C ATOM 1263 CG2 VAL A 79 -14.191 11.047 6.812 1.00 0.00 C ATOM 0 H VAL A 79 -16.586 9.312 9.703 1.00 0.00 H new ATOM 0 HA VAL A 79 -14.891 11.714 9.455 1.00 0.00 H new ATOM 0 HB VAL A 79 -13.686 9.883 8.525 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -14.604 8.372 6.806 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -15.476 8.241 8.352 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -16.198 9.140 6.996 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -13.557 10.479 6.131 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -15.085 11.378 6.284 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -13.643 11.916 7.178 1.00 0.00 H new ATOM 1273 N PRO A 80 -17.090 12.795 8.758 1.00 0.00 N ATOM 1274 CA PRO A 80 -18.154 13.575 8.126 1.00 0.00 C ATOM 1275 C PRO A 80 -17.814 13.914 6.679 1.00 0.00 C ATOM 1276 O PRO A 80 -16.791 14.547 6.400 1.00 0.00 O ATOM 1277 CB PRO A 80 -18.225 14.850 8.972 1.00 0.00 C ATOM 1278 CG PRO A 80 -17.632 14.469 10.283 1.00 0.00 C ATOM 1279 CD PRO A 80 -16.573 13.452 9.971 1.00 0.00 C ATOM 0 HA PRO A 80 -19.098 13.031 8.089 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -17.669 15.664 8.508 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -19.254 15.192 9.087 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -17.205 15.337 10.786 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -18.389 14.054 10.949 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -15.604 13.919 9.795 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -16.441 12.743 10.789 1.00 0.00 H new ATOM 1287 N ILE A 81 -18.659 13.467 5.766 1.00 0.00 N ATOM 1288 CA ILE A 81 -18.466 13.718 4.351 1.00 0.00 C ATOM 1289 C ILE A 81 -19.736 14.302 3.748 1.00 0.00 C ATOM 1290 O ILE A 81 -20.846 13.905 4.107 1.00 0.00 O ATOM 1291 CB ILE A 81 -18.049 12.429 3.600 1.00 0.00 C ATOM 1292 CG1 ILE A 81 -17.821 12.714 2.113 1.00 0.00 C ATOM 1293 CG2 ILE A 81 -19.087 11.330 3.786 1.00 0.00 C ATOM 1294 CD1 ILE A 81 -17.261 11.536 1.346 1.00 0.00 C ATOM 0 H ILE A 81 -19.494 12.923 5.984 1.00 0.00 H new ATOM 0 HA ILE A 81 -17.656 14.439 4.241 1.00 0.00 H new ATOM 0 HB ILE A 81 -17.109 12.081 4.027 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -18.766 13.014 1.661 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -17.138 13.558 2.015 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -18.770 10.436 3.249 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -19.187 11.100 4.847 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -20.047 11.667 3.396 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -17.126 11.813 0.301 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -16.300 11.248 1.772 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -17.953 10.696 1.412 1.00 0.00 H new ATOM 1306 N GLU A 82 -19.568 15.255 2.847 1.00 0.00 N ATOM 1307 CA GLU A 82 -20.698 15.956 2.253 1.00 0.00 C ATOM 1308 C GLU A 82 -21.298 15.151 1.103 1.00 0.00 C ATOM 1309 O GLU A 82 -21.195 15.531 -0.066 1.00 0.00 O ATOM 1310 CB GLU A 82 -20.268 17.350 1.785 1.00 0.00 C ATOM 1311 CG GLU A 82 -19.834 18.252 2.929 1.00 0.00 C ATOM 1312 CD GLU A 82 -19.232 19.555 2.452 1.00 0.00 C ATOM 1313 OE1 GLU A 82 -19.915 20.301 1.720 1.00 0.00 O ATOM 1314 OE2 GLU A 82 -18.068 19.844 2.804 1.00 0.00 O ATOM 0 H GLU A 82 -18.657 15.563 2.508 1.00 0.00 H new ATOM 0 HA GLU A 82 -21.472 16.071 3.012 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -19.447 17.252 1.075 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -21.095 17.820 1.253 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -20.694 18.465 3.564 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -19.106 17.725 3.545 1.00 0.00 H new ATOM 1321 N SER A 83 -21.898 14.020 1.454 1.00 0.00 N ATOM 1322 CA SER A 83 -22.546 13.139 0.495 1.00 0.00 C ATOM 1323 C SER A 83 -23.279 12.031 1.239 1.00 0.00 C ATOM 1324 O SER A 83 -23.234 11.974 2.471 1.00 0.00 O ATOM 1325 CB SER A 83 -21.517 12.542 -0.471 1.00 0.00 C ATOM 1326 OG SER A 83 -20.411 12.005 0.233 1.00 0.00 O ATOM 0 H SER A 83 -21.948 13.688 2.417 1.00 0.00 H new ATOM 0 HA SER A 83 -23.263 13.716 -0.089 1.00 0.00 H new ATOM 0 HB2 SER A 83 -21.985 11.761 -1.070 1.00 0.00 H new ATOM 0 HB3 SER A 83 -21.174 13.311 -1.163 1.00 0.00 H new ATOM 0 HG SER A 83 -19.769 11.628 -0.405 1.00 0.00 H new ATOM 1332 N GLY A 84 -23.949 11.157 0.503 1.00 0.00 N ATOM 1333 CA GLY A 84 -24.663 10.059 1.119 1.00 0.00 C ATOM 1334 C GLY A 84 -23.824 8.800 1.183 1.00 0.00 C ATOM 1335 O GLY A 84 -24.193 7.766 0.625 1.00 0.00 O ATOM 0 H GLY A 84 -24.011 11.189 -0.515 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -24.966 10.344 2.126 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -25.575 9.859 0.556 1.00 0.00 H new ATOM 1339 N TYR A 85 -22.690 8.890 1.860 1.00 0.00 N ATOM 1340 CA TYR A 85 -21.779 7.762 1.983 1.00 0.00 C ATOM 1341 C TYR A 85 -22.037 7.043 3.303 1.00 0.00 C ATOM 1342 O TYR A 85 -22.460 7.666 4.279 1.00 0.00 O ATOM 1343 CB TYR A 85 -20.328 8.249 1.908 1.00 0.00 C ATOM 1344 CG TYR A 85 -19.363 7.214 1.372 1.00 0.00 C ATOM 1345 CD1 TYR A 85 -19.250 6.996 0.005 1.00 0.00 C ATOM 1346 CD2 TYR A 85 -18.568 6.458 2.224 1.00 0.00 C ATOM 1347 CE1 TYR A 85 -18.373 6.056 -0.499 1.00 0.00 C ATOM 1348 CE2 TYR A 85 -17.687 5.514 1.727 1.00 0.00 C ATOM 1349 CZ TYR A 85 -17.595 5.317 0.365 1.00 0.00 C ATOM 1350 OH TYR A 85 -16.722 4.375 -0.136 1.00 0.00 O ATOM 0 H TYR A 85 -22.377 9.737 2.335 1.00 0.00 H new ATOM 0 HA TYR A 85 -21.949 7.065 1.162 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -20.284 9.135 1.275 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -20.005 8.552 2.904 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -19.859 7.572 -0.676 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -18.639 6.609 3.291 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -18.297 5.901 -1.565 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -17.075 4.934 2.402 1.00 0.00 H new ATOM 0 HH TYR A 85 -16.248 3.942 0.604 1.00 0.00 H new ATOM 1360 N THR A 86 -21.811 5.737 3.325 1.00 0.00 N ATOM 1361 CA THR A 86 -22.052 4.943 4.521 1.00 0.00 C ATOM 1362 C THR A 86 -20.922 5.115 5.539 1.00 0.00 C ATOM 1363 O THR A 86 -19.741 5.154 5.179 1.00 0.00 O ATOM 1364 CB THR A 86 -22.228 3.443 4.173 1.00 0.00 C ATOM 1365 OG1 THR A 86 -22.553 2.689 5.347 1.00 0.00 O ATOM 1366 CG2 THR A 86 -20.970 2.865 3.535 1.00 0.00 C ATOM 0 H THR A 86 -21.461 5.205 2.528 1.00 0.00 H new ATOM 0 HA THR A 86 -22.978 5.306 4.967 1.00 0.00 H new ATOM 0 HB THR A 86 -23.045 3.371 3.455 1.00 0.00 H new ATOM 0 HG1 THR A 86 -22.662 1.745 5.109 1.00 0.00 H new ATOM 0 HG21 THR A 86 -21.130 1.812 3.304 1.00 0.00 H new ATOM 0 HG22 THR A 86 -20.746 3.407 2.617 1.00 0.00 H new ATOM 0 HG23 THR A 86 -20.134 2.962 4.227 1.00 0.00 H new ATOM 1374 N LEU A 87 -21.296 5.245 6.806 1.00 0.00 N ATOM 1375 CA LEU A 87 -20.330 5.324 7.891 1.00 0.00 C ATOM 1376 C LEU A 87 -20.830 4.513 9.081 1.00 0.00 C ATOM 1377 O LEU A 87 -22.036 4.408 9.308 1.00 0.00 O ATOM 1378 CB LEU A 87 -20.058 6.780 8.311 1.00 0.00 C ATOM 1379 CG LEU A 87 -21.235 7.540 8.936 1.00 0.00 C ATOM 1380 CD1 LEU A 87 -20.725 8.739 9.718 1.00 0.00 C ATOM 1381 CD2 LEU A 87 -22.214 8.003 7.868 1.00 0.00 C ATOM 0 H LEU A 87 -22.269 5.298 7.107 1.00 0.00 H new ATOM 0 HA LEU A 87 -19.387 4.908 7.535 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -19.233 6.782 9.023 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -19.722 7.332 7.433 1.00 0.00 H new ATOM 0 HG LEU A 87 -21.756 6.861 9.611 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -21.568 9.272 10.158 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -20.057 8.400 10.510 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -20.183 9.407 9.048 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -23.039 8.539 8.338 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -21.703 8.665 7.168 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -22.603 7.138 7.331 1.00 0.00 H new ATOM 1393 N GLU A 88 -19.906 3.931 9.828 1.00 0.00 N ATOM 1394 CA GLU A 88 -20.255 3.062 10.943 1.00 0.00 C ATOM 1395 C GLU A 88 -19.839 3.662 12.281 1.00 0.00 C ATOM 1396 O GLU A 88 -19.012 4.573 12.338 1.00 0.00 O ATOM 1397 CB GLU A 88 -19.592 1.698 10.760 1.00 0.00 C ATOM 1398 CG GLU A 88 -20.475 0.674 10.073 1.00 0.00 C ATOM 1399 CD GLU A 88 -21.551 0.146 10.997 1.00 0.00 C ATOM 1400 OE1 GLU A 88 -22.567 0.844 11.203 1.00 0.00 O ATOM 1401 OE2 GLU A 88 -21.379 -0.969 11.533 1.00 0.00 O ATOM 0 H GLU A 88 -18.903 4.045 9.682 1.00 0.00 H new ATOM 0 HA GLU A 88 -21.339 2.950 10.952 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -18.678 1.824 10.179 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -19.298 1.313 11.737 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -20.939 1.125 9.196 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -19.862 -0.155 9.719 1.00 0.00 H new ATOM 1408 N HIS A 89 -20.418 3.140 13.355 1.00 0.00 N ATOM 1409 CA HIS A 89 -20.073 3.560 14.708 1.00 0.00 C ATOM 1410 C HIS A 89 -19.894 2.339 15.598 1.00 0.00 C ATOM 1411 O HIS A 89 -20.568 1.327 15.412 1.00 0.00 O ATOM 1412 CB HIS A 89 -21.154 4.474 15.294 1.00 0.00 C ATOM 1413 CG HIS A 89 -21.209 5.828 14.659 1.00 0.00 C ATOM 1414 ND1 HIS A 89 -22.167 6.188 13.740 1.00 0.00 N ATOM 1415 CD2 HIS A 89 -20.427 6.918 14.832 1.00 0.00 C ATOM 1416 CE1 HIS A 89 -21.972 7.438 13.370 1.00 0.00 C ATOM 1417 NE2 HIS A 89 -20.924 7.909 14.019 1.00 0.00 N ATOM 0 H HIS A 89 -21.136 2.417 13.314 1.00 0.00 H new ATOM 0 HA HIS A 89 -19.139 4.120 14.663 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -22.125 3.991 15.183 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -20.977 4.591 16.363 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -19.572 6.995 15.487 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -22.570 7.985 12.656 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -20.545 8.852 13.932 1.00 0.00 H new ATOM 1426 N HIS A 90 -18.989 2.435 16.558 1.00 0.00 N ATOM 1427 CA HIS A 90 -18.696 1.319 17.450 1.00 0.00 C ATOM 1428 C HIS A 90 -19.320 1.538 18.821 1.00 0.00 C ATOM 1429 O HIS A 90 -20.295 0.876 19.177 1.00 0.00 O ATOM 1430 CB HIS A 90 -17.183 1.118 17.598 1.00 0.00 C ATOM 1431 CG HIS A 90 -16.520 0.543 16.381 1.00 0.00 C ATOM 1432 ND1 HIS A 90 -15.539 1.200 15.672 1.00 0.00 N ATOM 1433 CD2 HIS A 90 -16.693 -0.648 15.762 1.00 0.00 C ATOM 1434 CE1 HIS A 90 -15.137 0.439 14.671 1.00 0.00 C ATOM 1435 NE2 HIS A 90 -15.820 -0.688 14.702 1.00 0.00 N ATOM 0 H HIS A 90 -18.442 3.276 16.742 1.00 0.00 H new ATOM 0 HA HIS A 90 -19.129 0.423 17.006 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -16.721 2.077 17.831 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -16.996 0.459 18.446 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -17.388 -1.423 16.048 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -14.377 0.696 13.948 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -15.717 -1.463 14.046 1.00 0.00 H new ATOM 1444 N HIS A 91 -18.750 2.482 19.571 1.00 0.00 N ATOM 1445 CA HIS A 91 -19.188 2.792 20.933 1.00 0.00 C ATOM 1446 C HIS A 91 -18.890 1.656 21.904 1.00 0.00 C ATOM 1447 O HIS A 91 -19.583 0.641 21.933 1.00 0.00 O ATOM 1448 CB HIS A 91 -20.676 3.147 20.988 1.00 0.00 C ATOM 1449 CG HIS A 91 -20.946 4.608 20.826 1.00 0.00 C ATOM 1450 ND1 HIS A 91 -21.234 5.433 21.890 1.00 0.00 N ATOM 1451 CD2 HIS A 91 -20.973 5.394 19.723 1.00 0.00 C ATOM 1452 CE1 HIS A 91 -21.425 6.661 21.452 1.00 0.00 C ATOM 1453 NE2 HIS A 91 -21.274 6.666 20.142 1.00 0.00 N ATOM 0 H HIS A 91 -17.969 3.055 19.250 1.00 0.00 H new ATOM 0 HA HIS A 91 -18.613 3.665 21.243 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -21.201 2.599 20.206 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -21.086 2.813 21.941 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -20.792 5.079 18.706 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -21.665 7.519 22.063 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -21.366 7.483 19.538 1.00 0.00 H new ATOM 1462 N HIS A 92 -17.838 1.835 22.682 1.00 0.00 N ATOM 1463 CA HIS A 92 -17.508 0.926 23.768 1.00 0.00 C ATOM 1464 C HIS A 92 -16.973 1.729 24.939 1.00 0.00 C ATOM 1465 O HIS A 92 -16.125 2.604 24.758 1.00 0.00 O ATOM 1466 CB HIS A 92 -16.479 -0.121 23.326 1.00 0.00 C ATOM 1467 CG HIS A 92 -17.091 -1.402 22.846 1.00 0.00 C ATOM 1468 ND1 HIS A 92 -16.916 -1.897 21.574 1.00 0.00 N ATOM 1469 CD2 HIS A 92 -17.863 -2.306 23.493 1.00 0.00 C ATOM 1470 CE1 HIS A 92 -17.556 -3.046 21.460 1.00 0.00 C ATOM 1471 NE2 HIS A 92 -18.139 -3.319 22.610 1.00 0.00 N ATOM 0 H HIS A 92 -17.188 2.614 22.580 1.00 0.00 H new ATOM 0 HA HIS A 92 -18.410 0.392 24.066 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -15.866 0.299 22.529 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -15.812 -0.338 24.161 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -18.200 -2.242 24.517 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -17.595 -3.660 20.572 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -18.702 -4.146 22.810 1.00 0.00 H new ATOM 1480 N HIS A 93 -17.480 1.460 26.128 1.00 0.00 N ATOM 1481 CA HIS A 93 -17.051 2.198 27.304 1.00 0.00 C ATOM 1482 C HIS A 93 -15.707 1.670 27.800 1.00 0.00 C ATOM 1483 O HIS A 93 -15.597 0.533 28.265 1.00 0.00 O ATOM 1484 CB HIS A 93 -18.124 2.170 28.410 1.00 0.00 C ATOM 1485 CG HIS A 93 -18.511 0.806 28.910 1.00 0.00 C ATOM 1486 ND1 HIS A 93 -19.495 0.036 28.324 1.00 0.00 N ATOM 1487 CD2 HIS A 93 -18.063 0.092 29.970 1.00 0.00 C ATOM 1488 CE1 HIS A 93 -19.636 -1.087 29.007 1.00 0.00 C ATOM 1489 NE2 HIS A 93 -18.776 -1.075 30.006 1.00 0.00 N ATOM 0 H HIS A 93 -18.183 0.743 26.306 1.00 0.00 H new ATOM 0 HA HIS A 93 -16.918 3.243 27.024 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -17.764 2.757 29.255 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -19.019 2.666 28.035 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -17.286 0.389 30.659 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -20.336 -1.879 28.785 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -18.661 -1.817 30.696 1.00 0.00 H new ATOM 1498 N HIS A 94 -14.679 2.496 27.653 1.00 0.00 N ATOM 1499 CA HIS A 94 -13.322 2.124 28.026 1.00 0.00 C ATOM 1500 C HIS A 94 -12.455 3.375 28.109 1.00 0.00 C ATOM 1501 O HIS A 94 -11.753 3.687 27.126 1.00 0.00 O ATOM 1502 CB HIS A 94 -12.745 1.133 27.003 1.00 0.00 C ATOM 1503 CG HIS A 94 -11.342 0.695 27.298 1.00 0.00 C ATOM 1504 ND1 HIS A 94 -10.280 0.995 26.478 1.00 0.00 N ATOM 1505 CD2 HIS A 94 -10.832 -0.029 28.320 1.00 0.00 C ATOM 1506 CE1 HIS A 94 -9.178 0.480 26.982 1.00 0.00 C ATOM 1507 NE2 HIS A 94 -9.482 -0.147 28.102 1.00 0.00 N ATOM 1508 OXT HIS A 94 -12.516 4.066 29.142 1.00 0.00 O ATOM 0 H HIS A 94 -14.763 3.439 27.273 1.00 0.00 H new ATOM 0 HA HIS A 94 -13.336 1.639 29.002 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -13.388 0.254 26.963 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -12.771 1.592 26.015 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -11.384 -0.438 29.153 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -8.191 0.558 26.551 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -8.823 -0.638 28.706 1.00 0.00 H new TER 1517 HIS A 94