USER MOD reduce.3.24.130724 H: found=0, std=0, add=999, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1000 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 Single : A 4 LYS NZ :NH3+ 148:sc= -0.065 (180deg=-0.898) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -42:sc= 1.04 USER MOD Single : A 16 THR OG1 : rot 14:sc= 0.853! USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.0911 K(o=-0.091,f=-0.8) USER MOD Single : A 26 LYS NZ :NH3+ -131:sc= -2.56! (180deg=-4.97!) USER MOD Single : A 31 ASN : amide:sc= -0.732! C(o=-0.73!,f=-3.7!) USER MOD Single : A 32 ASN :FLIP amide:sc= -8.69! C(o=-13!,f=-8.7!) USER MOD Single : A 44 ASN : amide:sc= 0.369 X(o=0.37,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 51 TYR OH : rot 180:sc= -2.11 USER MOD Single : A 56 SER OG : rot -140:sc= -0.169 USER MOD Single : A 59 ASN : amide:sc= -8.13! C(o=-8.1!,f=-9.9!) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN :FLIP amide:sc= -1.36 F(o=-6.9!,f=-1.4) USER MOD Single : A 63 MET CE :methyl -154:sc= -0.199 (180deg=-1.43!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot -103:sc= -1.65! USER MOD Single : A 78 MET CE :methyl 179:sc= -0.951 (180deg=-1.08) USER MOD Single : A 79 SER OG : rot 72:sc= -0.0146 USER MOD Single : A 85 MET CE :methyl -157:sc= -2.34 (180deg=-2.85!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.445 USER MOD Single : A 91 LYS NZ :NH3+ 152:sc= -0.197 (180deg=-1.03) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN :FLIP amide:sc= -5.37! C(o=-6.6!,f=-5.4!) USER MOD Single : A 100 GLN : amide:sc=-0.00535 X(o=-0.0054,f=0) USER MOD Single : A 104 SER OG : rot 1:sc= -6.1! USER MOD Single : A 106 TYR OH : rot 15:sc= -0.693 USER MOD Single : A 109 LYS NZ :NH3+ 142:sc= -4.51! (180deg=-7.92!) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 53:sc= -1.48! USER MOD Single : A 119 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0246) USER MOD Single : A 121 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 LYS NZ :NH3+ -151:sc= -1.05 (180deg=-1.8) USER MOD Single : A 126 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0183) USER MOD Single : A 129 MET CE :methyl -159:sc= -0.723 (180deg=-1.29) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -14.552 -0.080 9.316 1.00 0.00 N ATOM 2 CA ALA A 2 -13.229 0.587 9.474 1.00 0.00 C ATOM 3 C ALA A 2 -13.391 2.101 9.310 1.00 0.00 C ATOM 4 O ALA A 2 -13.483 2.831 10.278 1.00 0.00 O ATOM 5 CB ALA A 2 -12.259 0.054 8.418 1.00 0.00 C ATOM 0 HA ALA A 2 -12.834 0.375 10.467 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.291 0.542 8.534 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.140 -1.022 8.543 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -12.654 0.262 7.423 1.00 0.00 H new ATOM 11 N ASP A 3 -13.424 2.584 8.096 1.00 0.00 N ATOM 12 CA ASP A 3 -13.576 4.054 7.887 1.00 0.00 C ATOM 13 C ASP A 3 -14.075 4.329 6.465 1.00 0.00 C ATOM 14 O ASP A 3 -13.709 3.658 5.526 1.00 0.00 O ATOM 15 CB ASP A 3 -12.224 4.740 8.092 1.00 0.00 C ATOM 16 CG ASP A 3 -12.276 5.605 9.352 1.00 0.00 C ATOM 17 OD1 ASP A 3 -12.854 5.158 10.329 1.00 0.00 O ATOM 18 OD2 ASP A 3 -11.739 6.700 9.318 1.00 0.00 O ATOM 0 H ASP A 3 -13.353 2.028 7.244 1.00 0.00 H new ATOM 0 HA ASP A 3 -14.299 4.445 8.603 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -11.435 3.993 8.183 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -11.981 5.355 7.226 1.00 0.00 H new ATOM 23 N LYS A 4 -14.909 5.315 6.300 1.00 0.00 N ATOM 24 CA LYS A 4 -15.423 5.635 4.938 1.00 0.00 C ATOM 25 C LYS A 4 -14.491 6.648 4.275 1.00 0.00 C ATOM 26 O LYS A 4 -14.798 7.203 3.238 1.00 0.00 O ATOM 27 CB LYS A 4 -16.825 6.239 5.037 1.00 0.00 C ATOM 28 CG LYS A 4 -17.764 5.278 5.778 1.00 0.00 C ATOM 29 CD LYS A 4 -18.327 4.240 4.802 1.00 0.00 C ATOM 30 CE LYS A 4 -18.423 2.883 5.500 1.00 0.00 C ATOM 31 NZ LYS A 4 -19.066 3.055 6.833 1.00 0.00 N ATOM 0 H LYS A 4 -15.258 5.914 7.048 1.00 0.00 H new ATOM 0 HA LYS A 4 -15.465 4.720 4.347 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.782 7.194 5.562 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -17.213 6.441 4.039 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -17.225 4.778 6.583 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -18.579 5.836 6.239 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -19.311 4.551 4.452 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -17.685 4.165 3.924 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -19.003 2.189 4.891 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -17.429 2.451 5.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -19.611 2.201 7.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -18.333 3.208 7.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -19.703 3.876 6.808 1.00 0.00 H new ATOM 45 N GLU A 5 -13.364 6.913 4.876 1.00 0.00 N ATOM 46 CA GLU A 5 -12.428 7.907 4.288 1.00 0.00 C ATOM 47 C GLU A 5 -11.019 7.669 4.829 1.00 0.00 C ATOM 48 O GLU A 5 -10.406 8.550 5.398 1.00 0.00 O ATOM 49 CB GLU A 5 -12.890 9.316 4.671 1.00 0.00 C ATOM 50 CG GLU A 5 -12.825 9.484 6.191 1.00 0.00 C ATOM 51 CD GLU A 5 -14.129 10.106 6.692 1.00 0.00 C ATOM 52 OE1 GLU A 5 -15.100 9.379 6.817 1.00 0.00 O ATOM 53 OE2 GLU A 5 -14.133 11.302 6.942 1.00 0.00 O ATOM 0 H GLU A 5 -13.053 6.484 5.747 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.418 7.803 3.203 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.259 10.061 4.186 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.908 9.483 4.320 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -12.664 8.517 6.668 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -11.980 10.117 6.462 1.00 0.00 H new ATOM 60 N LEU A 6 -10.490 6.489 4.654 1.00 0.00 N ATOM 61 CA LEU A 6 -9.122 6.224 5.148 1.00 0.00 C ATOM 62 C LEU A 6 -8.134 6.695 4.075 1.00 0.00 C ATOM 63 O LEU A 6 -8.181 6.259 2.951 1.00 0.00 O ATOM 64 CB LEU A 6 -8.962 4.727 5.425 1.00 0.00 C ATOM 65 CG LEU A 6 -7.563 4.435 5.970 1.00 0.00 C ATOM 66 CD1 LEU A 6 -7.336 5.203 7.273 1.00 0.00 C ATOM 67 CD2 LEU A 6 -7.431 2.938 6.243 1.00 0.00 C ATOM 0 H LEU A 6 -10.949 5.704 4.192 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.930 6.759 6.078 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.715 4.400 6.143 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -9.128 4.161 4.509 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.822 4.748 5.235 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.337 4.988 7.653 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.431 6.273 7.086 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -8.078 4.896 8.010 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -6.435 2.725 6.632 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -8.179 2.634 6.976 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.585 2.384 5.317 1.00 0.00 H new ATOM 79 N LYS A 7 -7.269 7.614 4.403 1.00 0.00 N ATOM 80 CA LYS A 7 -6.314 8.145 3.386 1.00 0.00 C ATOM 81 C LYS A 7 -5.464 7.029 2.767 1.00 0.00 C ATOM 82 O LYS A 7 -4.610 6.454 3.416 1.00 0.00 O ATOM 83 CB LYS A 7 -5.392 9.165 4.055 1.00 0.00 C ATOM 84 CG LYS A 7 -6.118 10.506 4.178 1.00 0.00 C ATOM 85 CD LYS A 7 -5.320 11.438 5.091 1.00 0.00 C ATOM 86 CE LYS A 7 -5.395 12.867 4.551 1.00 0.00 C ATOM 87 NZ LYS A 7 -4.807 13.806 5.547 1.00 0.00 N ATOM 0 H LYS A 7 -7.181 8.022 5.334 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.892 8.610 2.587 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.093 8.809 5.041 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.480 9.285 3.470 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.237 10.959 3.194 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.119 10.354 4.582 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.718 11.400 6.105 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.281 11.112 5.144 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.857 12.939 3.606 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.432 13.137 4.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.858 14.778 5.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.339 13.744 6.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.813 13.552 5.719 1.00 0.00 H new ATOM 101 N PHE A 8 -5.671 6.749 1.499 1.00 0.00 N ATOM 102 CA PHE A 8 -4.861 5.706 0.812 1.00 0.00 C ATOM 103 C PHE A 8 -3.886 6.394 -0.136 1.00 0.00 C ATOM 104 O PHE A 8 -4.172 7.447 -0.670 1.00 0.00 O ATOM 105 CB PHE A 8 -5.759 4.804 -0.052 1.00 0.00 C ATOM 106 CG PHE A 8 -6.554 3.836 0.790 1.00 0.00 C ATOM 107 CD1 PHE A 8 -6.025 2.584 1.121 1.00 0.00 C ATOM 108 CD2 PHE A 8 -7.830 4.190 1.226 1.00 0.00 C ATOM 109 CE1 PHE A 8 -6.777 1.688 1.895 1.00 0.00 C ATOM 110 CE2 PHE A 8 -8.578 3.298 1.996 1.00 0.00 C ATOM 111 CZ PHE A 8 -8.054 2.048 2.331 1.00 0.00 C ATOM 0 H PHE A 8 -6.371 7.204 0.914 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.349 5.113 1.569 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.440 5.422 -0.637 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -5.144 4.250 -0.761 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -5.038 2.307 0.781 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -8.240 5.155 0.968 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -6.369 0.722 2.153 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -9.566 3.576 2.334 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.636 1.360 2.927 1.00 0.00 H new ATOM 121 N LEU A 9 -2.758 5.786 -0.379 1.00 0.00 N ATOM 122 CA LEU A 9 -1.777 6.372 -1.335 1.00 0.00 C ATOM 123 C LEU A 9 -1.525 5.338 -2.431 1.00 0.00 C ATOM 124 O LEU A 9 -0.876 4.334 -2.214 1.00 0.00 O ATOM 125 CB LEU A 9 -0.470 6.712 -0.615 1.00 0.00 C ATOM 126 CG LEU A 9 0.573 7.203 -1.626 1.00 0.00 C ATOM 127 CD1 LEU A 9 0.027 8.407 -2.391 1.00 0.00 C ATOM 128 CD2 LEU A 9 1.838 7.616 -0.880 1.00 0.00 C ATOM 0 H LEU A 9 -2.472 4.904 0.046 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.169 7.294 -1.764 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.649 7.480 0.138 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.095 5.833 -0.091 1.00 0.00 H new ATOM 0 HG LEU A 9 0.799 6.401 -2.329 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.773 8.751 -3.108 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.881 8.120 -2.921 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.201 9.210 -1.690 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.584 7.966 -1.594 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.602 8.417 -0.179 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.233 6.760 -0.333 1.00 0.00 H new ATOM 140 N VAL A 10 -2.058 5.560 -3.599 1.00 0.00 N ATOM 141 CA VAL A 10 -1.876 4.570 -4.698 1.00 0.00 C ATOM 142 C VAL A 10 -0.614 4.898 -5.505 1.00 0.00 C ATOM 143 O VAL A 10 -0.549 5.903 -6.187 1.00 0.00 O ATOM 144 CB VAL A 10 -3.102 4.621 -5.611 1.00 0.00 C ATOM 145 CG1 VAL A 10 -3.448 3.212 -6.088 1.00 0.00 C ATOM 146 CG2 VAL A 10 -4.291 5.193 -4.833 1.00 0.00 C ATOM 0 H VAL A 10 -2.611 6.382 -3.841 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.766 3.571 -4.275 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.884 5.253 -6.471 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.322 3.252 -6.738 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.604 2.797 -6.639 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.665 2.580 -5.227 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.166 5.230 -5.482 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.503 4.557 -3.974 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.051 6.199 -4.489 1.00 0.00 H new ATOM 156 N VAL A 11 0.385 4.046 -5.437 1.00 0.00 N ATOM 157 CA VAL A 11 1.641 4.283 -6.199 1.00 0.00 C ATOM 158 C VAL A 11 1.863 3.131 -7.180 1.00 0.00 C ATOM 159 O VAL A 11 2.215 2.035 -6.792 1.00 0.00 O ATOM 160 CB VAL A 11 2.831 4.368 -5.238 1.00 0.00 C ATOM 161 CG1 VAL A 11 4.101 4.762 -6.003 1.00 0.00 C ATOM 162 CG2 VAL A 11 2.546 5.417 -4.165 1.00 0.00 C ATOM 0 H VAL A 11 0.377 3.192 -4.880 1.00 0.00 H new ATOM 0 HA VAL A 11 1.556 5.223 -6.745 1.00 0.00 H new ATOM 0 HB VAL A 11 2.980 3.393 -4.773 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.940 4.819 -5.310 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.312 4.014 -6.767 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.954 5.733 -6.476 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.393 5.477 -3.481 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.391 6.387 -4.637 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.651 5.136 -3.610 1.00 0.00 H new ATOM 172 N ASP A 12 1.660 3.369 -8.445 1.00 0.00 N ATOM 173 CA ASP A 12 1.860 2.286 -9.447 1.00 0.00 C ATOM 174 C ASP A 12 2.163 2.906 -10.811 1.00 0.00 C ATOM 175 O ASP A 12 1.428 3.741 -11.300 1.00 0.00 O ATOM 176 CB ASP A 12 0.588 1.441 -9.543 1.00 0.00 C ATOM 177 CG ASP A 12 -0.635 2.339 -9.348 1.00 0.00 C ATOM 178 OD1 ASP A 12 -0.895 2.714 -8.217 1.00 0.00 O ATOM 179 OD2 ASP A 12 -1.289 2.636 -10.333 1.00 0.00 O ATOM 0 H ASP A 12 1.364 4.267 -8.829 1.00 0.00 H new ATOM 0 HA ASP A 12 2.694 1.655 -9.140 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.539 0.947 -10.513 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.601 0.657 -8.786 1.00 0.00 H new ATOM 184 N ASP A 13 3.238 2.504 -11.432 1.00 0.00 N ATOM 185 CA ASP A 13 3.582 3.071 -12.765 1.00 0.00 C ATOM 186 C ASP A 13 2.424 2.821 -13.734 1.00 0.00 C ATOM 187 O ASP A 13 1.385 3.444 -13.647 1.00 0.00 O ATOM 188 CB ASP A 13 4.850 2.399 -13.295 1.00 0.00 C ATOM 189 CG ASP A 13 5.206 2.984 -14.663 1.00 0.00 C ATOM 190 OD1 ASP A 13 4.461 3.826 -15.137 1.00 0.00 O ATOM 191 OD2 ASP A 13 6.220 2.582 -15.212 1.00 0.00 O ATOM 0 H ASP A 13 3.892 1.808 -11.074 1.00 0.00 H new ATOM 0 HA ASP A 13 3.755 4.143 -12.673 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.674 2.551 -12.597 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.697 1.323 -13.377 1.00 0.00 H new ATOM 196 N PHE A 14 2.595 1.913 -14.656 1.00 0.00 N ATOM 197 CA PHE A 14 1.502 1.622 -15.626 1.00 0.00 C ATOM 198 C PHE A 14 0.950 2.941 -16.177 1.00 0.00 C ATOM 199 O PHE A 14 1.619 3.956 -16.168 1.00 0.00 O ATOM 200 CB PHE A 14 0.385 0.846 -14.913 1.00 0.00 C ATOM 201 CG PHE A 14 -0.013 -0.364 -15.733 1.00 0.00 C ATOM 202 CD1 PHE A 14 -0.258 -0.239 -17.107 1.00 0.00 C ATOM 203 CD2 PHE A 14 -0.139 -1.613 -15.112 1.00 0.00 C ATOM 204 CE1 PHE A 14 -0.628 -1.361 -17.858 1.00 0.00 C ATOM 205 CE2 PHE A 14 -0.510 -2.735 -15.865 1.00 0.00 C ATOM 206 CZ PHE A 14 -0.754 -2.610 -17.237 1.00 0.00 C ATOM 0 H PHE A 14 3.444 1.361 -14.779 1.00 0.00 H new ATOM 0 HA PHE A 14 1.888 1.022 -16.450 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.723 0.531 -13.926 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.479 1.493 -14.762 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.161 0.724 -17.587 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.050 -1.711 -14.053 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.816 -1.263 -18.917 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.608 -3.698 -15.386 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.039 -3.476 -17.816 1.00 0.00 H new ATOM 216 N SER A 15 -0.265 2.938 -16.653 1.00 0.00 N ATOM 217 CA SER A 15 -0.858 4.191 -17.198 1.00 0.00 C ATOM 218 C SER A 15 -2.373 4.157 -16.996 1.00 0.00 C ATOM 219 O SER A 15 -3.121 4.792 -17.713 1.00 0.00 O ATOM 220 CB SER A 15 -0.543 4.298 -18.691 1.00 0.00 C ATOM 221 OG SER A 15 -1.072 5.516 -19.196 1.00 0.00 O ATOM 0 H SER A 15 -0.873 2.120 -16.688 1.00 0.00 H new ATOM 0 HA SER A 15 -0.438 5.053 -16.679 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.535 4.262 -18.851 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.973 3.452 -19.227 1.00 0.00 H new ATOM 0 HG SER A 15 -1.966 5.664 -18.823 1.00 0.00 H new ATOM 227 N THR A 16 -2.833 3.415 -16.025 1.00 0.00 N ATOM 228 CA THR A 16 -4.300 3.334 -15.776 1.00 0.00 C ATOM 229 C THR A 16 -4.566 2.432 -14.571 1.00 0.00 C ATOM 230 O THR A 16 -5.699 2.156 -14.229 1.00 0.00 O ATOM 231 CB THR A 16 -4.990 2.748 -17.010 1.00 0.00 C ATOM 232 OG1 THR A 16 -6.206 2.126 -16.619 1.00 0.00 O ATOM 233 CG2 THR A 16 -4.074 1.715 -17.666 1.00 0.00 C ATOM 0 H THR A 16 -2.255 2.861 -15.393 1.00 0.00 H new ATOM 0 HA THR A 16 -4.690 4.332 -15.575 1.00 0.00 H new ATOM 0 HB THR A 16 -5.202 3.546 -17.722 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.435 2.400 -15.706 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.566 1.298 -18.545 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.141 2.194 -17.965 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.860 0.916 -16.957 1.00 0.00 H new ATOM 241 N MET A 17 -3.533 1.968 -13.921 1.00 0.00 N ATOM 242 CA MET A 17 -3.739 1.085 -12.740 1.00 0.00 C ATOM 243 C MET A 17 -4.346 1.906 -11.600 1.00 0.00 C ATOM 244 O MET A 17 -5.267 1.474 -10.935 1.00 0.00 O ATOM 245 CB MET A 17 -2.392 0.499 -12.296 1.00 0.00 C ATOM 246 CG MET A 17 -2.516 -0.110 -10.892 1.00 0.00 C ATOM 247 SD MET A 17 -3.996 -1.150 -10.800 1.00 0.00 S ATOM 248 CE MET A 17 -3.147 -2.742 -10.666 1.00 0.00 C ATOM 0 H MET A 17 -2.560 2.162 -14.156 1.00 0.00 H new ATOM 0 HA MET A 17 -4.414 0.270 -13.003 1.00 0.00 H new ATOM 0 HB2 MET A 17 -2.068 -0.264 -13.004 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.630 1.279 -12.296 1.00 0.00 H new ATOM 0 HG2 MET A 17 -1.630 -0.702 -10.663 1.00 0.00 H new ATOM 0 HG3 MET A 17 -2.571 0.683 -10.146 1.00 0.00 H new ATOM 0 HE1 MET A 17 -3.884 -3.542 -10.596 1.00 0.00 H new ATOM 0 HE2 MET A 17 -2.524 -2.898 -11.547 1.00 0.00 H new ATOM 0 HE3 MET A 17 -2.521 -2.746 -9.774 1.00 0.00 H new ATOM 258 N ARG A 18 -3.830 3.085 -11.369 1.00 0.00 N ATOM 259 CA ARG A 18 -4.371 3.938 -10.271 1.00 0.00 C ATOM 260 C ARG A 18 -5.899 3.923 -10.307 1.00 0.00 C ATOM 261 O ARG A 18 -6.552 3.758 -9.297 1.00 0.00 O ATOM 262 CB ARG A 18 -3.891 5.380 -10.444 1.00 0.00 C ATOM 263 CG ARG A 18 -2.721 5.426 -11.429 1.00 0.00 C ATOM 264 CD ARG A 18 -2.167 6.851 -11.499 1.00 0.00 C ATOM 265 NE ARG A 18 -3.191 7.754 -12.097 1.00 0.00 N ATOM 266 CZ ARG A 18 -3.659 7.509 -13.290 1.00 0.00 C ATOM 267 NH1 ARG A 18 -2.860 7.086 -14.231 1.00 0.00 N ATOM 268 NH2 ARG A 18 -4.928 7.688 -13.542 1.00 0.00 N ATOM 0 H ARG A 18 -3.057 3.494 -11.894 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.018 3.544 -9.318 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.708 6.003 -10.807 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.583 5.788 -9.481 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.939 4.736 -11.113 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.051 5.104 -12.417 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.899 7.198 -10.501 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.256 6.869 -12.098 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.526 8.563 -11.574 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.869 6.947 -14.034 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.227 6.895 -15.163 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.552 8.019 -12.806 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.295 7.497 -14.474 1.00 0.00 H new ATOM 282 N ARG A 19 -6.474 4.105 -11.464 1.00 0.00 N ATOM 283 CA ARG A 19 -7.960 4.114 -11.560 1.00 0.00 C ATOM 284 C ARG A 19 -8.527 2.808 -10.997 1.00 0.00 C ATOM 285 O ARG A 19 -9.415 2.811 -10.167 1.00 0.00 O ATOM 286 CB ARG A 19 -8.374 4.261 -13.025 1.00 0.00 C ATOM 287 CG ARG A 19 -9.869 3.970 -13.166 1.00 0.00 C ATOM 288 CD ARG A 19 -10.431 4.748 -14.357 1.00 0.00 C ATOM 289 NE ARG A 19 -9.482 4.656 -15.503 1.00 0.00 N ATOM 290 CZ ARG A 19 -9.460 5.597 -16.407 1.00 0.00 C ATOM 291 NH1 ARG A 19 -10.372 6.531 -16.401 1.00 0.00 N ATOM 292 NH2 ARG A 19 -8.526 5.604 -17.318 1.00 0.00 N ATOM 0 H ARG A 19 -5.980 4.248 -12.345 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.352 4.952 -10.983 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.155 5.269 -13.376 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.799 3.575 -13.647 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.030 2.901 -13.308 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.393 4.253 -12.253 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.403 4.345 -14.642 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.587 5.791 -14.083 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.851 3.859 -15.580 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -11.103 6.526 -15.689 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -10.354 7.266 -17.108 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -7.813 4.874 -17.323 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.508 6.339 -18.025 1.00 0.00 H new ATOM 306 N ILE A 20 -8.027 1.690 -11.448 1.00 0.00 N ATOM 307 CA ILE A 20 -8.540 0.382 -10.948 1.00 0.00 C ATOM 308 C ILE A 20 -8.568 0.381 -9.417 1.00 0.00 C ATOM 309 O ILE A 20 -9.596 0.170 -8.804 1.00 0.00 O ATOM 310 CB ILE A 20 -7.624 -0.742 -11.450 1.00 0.00 C ATOM 311 CG1 ILE A 20 -8.120 -1.226 -12.815 1.00 0.00 C ATOM 312 CG2 ILE A 20 -7.633 -1.916 -10.463 1.00 0.00 C ATOM 313 CD1 ILE A 20 -7.051 -2.107 -13.465 1.00 0.00 C ATOM 0 H ILE A 20 -7.283 1.626 -12.143 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.553 0.224 -11.318 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.607 -0.359 -11.537 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -9.047 -1.787 -12.699 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -8.342 -0.373 -13.456 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -6.979 -2.706 -10.832 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.279 -1.576 -9.490 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.648 -2.301 -10.365 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.405 -2.451 -14.437 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.135 -1.531 -13.596 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.851 -2.967 -12.826 1.00 0.00 H new ATOM 325 N VAL A 21 -7.441 0.590 -8.797 1.00 0.00 N ATOM 326 CA VAL A 21 -7.397 0.576 -7.306 1.00 0.00 C ATOM 327 C VAL A 21 -8.276 1.697 -6.732 1.00 0.00 C ATOM 328 O VAL A 21 -8.961 1.510 -5.747 1.00 0.00 O ATOM 329 CB VAL A 21 -5.951 0.749 -6.832 1.00 0.00 C ATOM 330 CG1 VAL A 21 -5.510 -0.516 -6.095 1.00 0.00 C ATOM 331 CG2 VAL A 21 -5.038 0.966 -8.039 1.00 0.00 C ATOM 0 H VAL A 21 -6.548 0.770 -9.256 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.781 -0.380 -6.951 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.888 1.610 -6.167 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.481 -0.399 -5.755 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.160 -0.681 -5.235 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.575 -1.371 -6.768 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.009 1.089 -7.700 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.101 0.103 -8.702 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.352 1.861 -8.577 1.00 0.00 H new ATOM 341 N ARG A 22 -8.271 2.855 -7.336 1.00 0.00 N ATOM 342 CA ARG A 22 -9.121 3.968 -6.813 1.00 0.00 C ATOM 343 C ARG A 22 -10.560 3.475 -6.687 1.00 0.00 C ATOM 344 O ARG A 22 -11.153 3.500 -5.627 1.00 0.00 O ATOM 345 CB ARG A 22 -9.095 5.136 -7.800 1.00 0.00 C ATOM 346 CG ARG A 22 -8.432 6.364 -7.166 1.00 0.00 C ATOM 347 CD ARG A 22 -8.641 7.572 -8.082 1.00 0.00 C ATOM 348 NE ARG A 22 -7.460 8.475 -7.999 1.00 0.00 N ATOM 349 CZ ARG A 22 -7.466 9.612 -8.639 1.00 0.00 C ATOM 350 NH1 ARG A 22 -8.228 10.589 -8.229 1.00 0.00 N ATOM 351 NH2 ARG A 22 -6.712 9.773 -9.693 1.00 0.00 N ATOM 0 H ARG A 22 -7.719 3.079 -8.164 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.742 4.291 -5.843 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.552 4.847 -8.700 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -10.111 5.383 -8.107 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -8.861 6.558 -6.183 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.367 6.183 -7.019 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.786 7.240 -9.110 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.543 8.110 -7.791 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.648 8.205 -7.443 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -8.820 10.464 -7.408 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -8.232 11.477 -8.730 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.118 9.010 -10.016 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.717 10.662 -10.193 1.00 0.00 H new ATOM 365 N ASN A 23 -11.115 3.014 -7.771 1.00 0.00 N ATOM 366 CA ASN A 23 -12.498 2.502 -7.758 1.00 0.00 C ATOM 367 C ASN A 23 -12.588 1.380 -6.741 1.00 0.00 C ATOM 368 O ASN A 23 -13.413 1.384 -5.852 1.00 0.00 O ATOM 369 CB ASN A 23 -12.769 1.933 -9.135 1.00 0.00 C ATOM 370 CG ASN A 23 -14.148 2.374 -9.629 1.00 0.00 C ATOM 371 OD1 ASN A 23 -15.041 2.613 -8.840 1.00 0.00 O ATOM 372 ND2 ASN A 23 -14.361 2.494 -10.911 1.00 0.00 N ATOM 0 H ASN A 23 -10.654 2.973 -8.680 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.212 3.286 -7.505 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.001 2.268 -9.832 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -12.717 0.845 -9.103 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -15.277 2.788 -11.250 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -13.612 2.294 -11.573 1.00 0.00 H new ATOM 379 N LEU A 24 -11.727 0.422 -6.895 1.00 0.00 N ATOM 380 CA LEU A 24 -11.693 -0.747 -5.973 1.00 0.00 C ATOM 381 C LEU A 24 -11.947 -0.282 -4.535 1.00 0.00 C ATOM 382 O LEU A 24 -12.844 -0.761 -3.870 1.00 0.00 O ATOM 383 CB LEU A 24 -10.305 -1.384 -6.078 1.00 0.00 C ATOM 384 CG LEU A 24 -10.286 -2.801 -5.461 1.00 0.00 C ATOM 385 CD1 LEU A 24 -9.758 -3.788 -6.504 1.00 0.00 C ATOM 386 CD2 LEU A 24 -9.378 -2.870 -4.217 1.00 0.00 C ATOM 0 H LEU A 24 -11.028 0.396 -7.637 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.464 -1.469 -6.242 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.006 -1.437 -7.125 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.575 -0.754 -5.570 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.303 -3.051 -5.159 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.740 -4.792 -6.079 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.408 -3.776 -7.379 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.749 -3.501 -6.798 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.391 -3.882 -3.812 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.358 -2.604 -4.496 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.741 -2.173 -3.462 1.00 0.00 H new ATOM 398 N LEU A 25 -11.172 0.652 -4.052 1.00 0.00 N ATOM 399 CA LEU A 25 -11.389 1.144 -2.661 1.00 0.00 C ATOM 400 C LEU A 25 -12.781 1.763 -2.568 1.00 0.00 C ATOM 401 O LEU A 25 -13.571 1.413 -1.716 1.00 0.00 O ATOM 402 CB LEU A 25 -10.343 2.209 -2.313 1.00 0.00 C ATOM 403 CG LEU A 25 -8.979 1.554 -2.066 1.00 0.00 C ATOM 404 CD1 LEU A 25 -7.930 2.646 -1.852 1.00 0.00 C ATOM 405 CD2 LEU A 25 -9.037 0.661 -0.819 1.00 0.00 C ATOM 0 H LEU A 25 -10.403 1.093 -4.557 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.298 0.311 -1.964 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.265 2.931 -3.125 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.656 2.760 -1.426 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.715 0.943 -2.930 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.957 2.187 -1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.877 3.279 -2.738 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.207 3.252 -0.989 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.062 0.202 -0.655 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.305 1.264 0.048 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.785 -0.118 -0.964 1.00 0.00 H new ATOM 417 N LYS A 26 -13.086 2.684 -3.437 1.00 0.00 N ATOM 418 CA LYS A 26 -14.422 3.322 -3.394 1.00 0.00 C ATOM 419 C LYS A 26 -15.499 2.237 -3.399 1.00 0.00 C ATOM 420 O LYS A 26 -16.580 2.422 -2.876 1.00 0.00 O ATOM 421 CB LYS A 26 -14.596 4.234 -4.611 1.00 0.00 C ATOM 422 CG LYS A 26 -13.689 5.457 -4.462 1.00 0.00 C ATOM 423 CD LYS A 26 -13.482 6.114 -5.830 1.00 0.00 C ATOM 424 CE LYS A 26 -14.826 6.601 -6.374 1.00 0.00 C ATOM 425 NZ LYS A 26 -15.566 5.454 -6.971 1.00 0.00 N ATOM 0 H LYS A 26 -12.466 3.020 -4.174 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.514 3.919 -2.487 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.348 3.692 -5.524 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -15.636 4.547 -4.699 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -14.135 6.170 -3.769 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.728 5.161 -4.041 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -12.789 6.951 -5.742 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -13.034 5.401 -6.523 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -15.414 7.049 -5.573 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -14.667 7.375 -7.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -15.910 5.717 -7.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -14.931 4.634 -7.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -16.375 5.209 -6.365 1.00 0.00 H new ATOM 439 N GLU A 27 -15.215 1.099 -3.979 1.00 0.00 N ATOM 440 CA GLU A 27 -16.224 0.013 -4.002 1.00 0.00 C ATOM 441 C GLU A 27 -16.660 -0.286 -2.568 1.00 0.00 C ATOM 442 O GLU A 27 -17.792 -0.644 -2.311 1.00 0.00 O ATOM 443 CB GLU A 27 -15.616 -1.243 -4.629 1.00 0.00 C ATOM 444 CG GLU A 27 -16.731 -2.115 -5.210 1.00 0.00 C ATOM 445 CD GLU A 27 -16.949 -1.753 -6.682 1.00 0.00 C ATOM 446 OE1 GLU A 27 -17.509 -0.699 -6.935 1.00 0.00 O ATOM 447 OE2 GLU A 27 -16.553 -2.537 -7.529 1.00 0.00 O ATOM 0 H GLU A 27 -14.329 0.881 -4.435 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.086 0.322 -4.593 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -14.911 -0.966 -5.413 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.056 -1.802 -3.879 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -16.468 -3.169 -5.119 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -17.653 -1.967 -4.648 1.00 0.00 H new ATOM 454 N LEU A 28 -15.765 -0.137 -1.629 1.00 0.00 N ATOM 455 CA LEU A 28 -16.119 -0.405 -0.209 1.00 0.00 C ATOM 456 C LEU A 28 -16.822 0.820 0.375 1.00 0.00 C ATOM 457 O LEU A 28 -18.004 0.796 0.655 1.00 0.00 O ATOM 458 CB LEU A 28 -14.844 -0.693 0.591 1.00 0.00 C ATOM 459 CG LEU A 28 -14.645 -2.206 0.739 1.00 0.00 C ATOM 460 CD1 LEU A 28 -15.729 -2.796 1.647 1.00 0.00 C ATOM 461 CD2 LEU A 28 -14.721 -2.870 -0.639 1.00 0.00 C ATOM 0 H LEU A 28 -14.802 0.160 -1.786 1.00 0.00 H new ATOM 0 HA LEU A 28 -16.782 -1.268 -0.154 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -13.983 -0.253 0.088 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.910 -0.229 1.575 1.00 0.00 H new ATOM 0 HG LEU A 28 -13.667 -2.391 1.184 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -15.577 -3.871 1.744 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -15.672 -2.331 2.631 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -16.710 -2.606 1.212 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -14.579 -3.946 -0.533 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -15.697 -2.675 -1.084 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -13.941 -2.463 -1.282 1.00 0.00 H new ATOM 473 N GLY A 29 -16.105 1.893 0.559 1.00 0.00 N ATOM 474 CA GLY A 29 -16.730 3.115 1.121 1.00 0.00 C ATOM 475 C GLY A 29 -15.682 4.213 1.353 1.00 0.00 C ATOM 476 O GLY A 29 -15.918 5.149 2.089 1.00 0.00 O ATOM 0 H GLY A 29 -15.111 1.973 0.343 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.499 3.480 0.441 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.225 2.875 2.062 1.00 0.00 H new ATOM 480 N PHE A 30 -14.535 4.120 0.731 1.00 0.00 N ATOM 481 CA PHE A 30 -13.492 5.171 0.924 1.00 0.00 C ATOM 482 C PHE A 30 -13.591 6.190 -0.217 1.00 0.00 C ATOM 483 O PHE A 30 -14.067 5.879 -1.290 1.00 0.00 O ATOM 484 CB PHE A 30 -12.105 4.524 0.896 1.00 0.00 C ATOM 485 CG PHE A 30 -12.081 3.301 1.785 1.00 0.00 C ATOM 486 CD1 PHE A 30 -11.978 3.433 3.179 1.00 0.00 C ATOM 487 CD2 PHE A 30 -12.145 2.029 1.210 1.00 0.00 C ATOM 488 CE1 PHE A 30 -11.942 2.288 3.988 1.00 0.00 C ATOM 489 CE2 PHE A 30 -12.109 0.887 2.019 1.00 0.00 C ATOM 490 CZ PHE A 30 -12.006 1.016 3.408 1.00 0.00 C ATOM 0 H PHE A 30 -14.276 3.363 0.099 1.00 0.00 H new ATOM 0 HA PHE A 30 -13.646 5.667 1.882 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -11.846 4.245 -0.125 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -11.355 5.240 1.230 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.927 4.414 3.627 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -12.223 1.927 0.138 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -11.865 2.388 5.061 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -12.161 -0.094 1.570 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.976 0.135 4.032 1.00 0.00 H new ATOM 500 N ASN A 31 -13.169 7.408 0.002 1.00 0.00 N ATOM 501 CA ASN A 31 -13.269 8.425 -1.070 1.00 0.00 C ATOM 502 C ASN A 31 -12.129 9.452 -0.960 1.00 0.00 C ATOM 503 O ASN A 31 -12.240 10.555 -1.458 1.00 0.00 O ATOM 504 CB ASN A 31 -14.609 9.132 -0.910 1.00 0.00 C ATOM 505 CG ASN A 31 -15.055 9.051 0.551 1.00 0.00 C ATOM 506 OD1 ASN A 31 -14.240 9.094 1.451 1.00 0.00 O ATOM 507 ND2 ASN A 31 -16.326 8.936 0.828 1.00 0.00 N ATOM 0 H ASN A 31 -12.761 7.736 0.877 1.00 0.00 H new ATOM 0 HA ASN A 31 -13.192 7.943 -2.045 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -14.522 10.174 -1.218 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -15.356 8.670 -1.556 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -16.634 8.882 1.799 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -17.011 8.900 0.073 1.00 0.00 H new ATOM 514 N ASN A 32 -11.043 9.114 -0.305 1.00 0.00 N ATOM 515 CA ASN A 32 -9.928 10.089 -0.161 1.00 0.00 C ATOM 516 C ASN A 32 -8.567 9.406 -0.360 1.00 0.00 C ATOM 517 O ASN A 32 -8.099 8.677 0.493 1.00 0.00 O ATOM 518 CB ASN A 32 -9.987 10.665 1.245 1.00 0.00 C ATOM 519 CG ASN A 32 -10.040 9.534 2.268 1.00 0.00 C ATOM 520 OD1 ASN A 32 -10.061 8.294 1.860 1.00 0.00 O flip ATOM 521 ND2 ASN A 32 -10.048 9.781 3.454 1.00 0.00 N flip ATOM 0 H ASN A 32 -10.886 8.206 0.133 1.00 0.00 H new ATOM 0 HA ASN A 32 -10.034 10.868 -0.916 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -9.114 11.292 1.428 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -10.865 11.303 1.349 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -10.032 10.750 3.773 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -10.071 9.020 4.133 1.00 0.00 H new ATOM 528 N VAL A 33 -7.916 9.660 -1.468 1.00 0.00 N ATOM 529 CA VAL A 33 -6.573 9.045 -1.708 1.00 0.00 C ATOM 530 C VAL A 33 -5.715 9.996 -2.545 1.00 0.00 C ATOM 531 O VAL A 33 -6.164 11.041 -2.971 1.00 0.00 O ATOM 532 CB VAL A 33 -6.721 7.713 -2.465 1.00 0.00 C ATOM 533 CG1 VAL A 33 -8.061 7.065 -2.128 1.00 0.00 C ATOM 534 CG2 VAL A 33 -6.644 7.946 -3.982 1.00 0.00 C ATOM 0 H VAL A 33 -8.255 10.265 -2.216 1.00 0.00 H new ATOM 0 HA VAL A 33 -6.098 8.862 -0.744 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.908 7.055 -2.160 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.156 6.123 -2.669 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.114 6.875 -1.056 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -8.872 7.733 -2.418 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.750 6.994 -4.502 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.446 8.618 -4.288 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.681 8.391 -4.233 1.00 0.00 H new ATOM 544 N GLU A 34 -4.494 9.618 -2.808 1.00 0.00 N ATOM 545 CA GLU A 34 -3.606 10.465 -3.649 1.00 0.00 C ATOM 546 C GLU A 34 -2.866 9.543 -4.608 1.00 0.00 C ATOM 547 O GLU A 34 -3.229 8.395 -4.773 1.00 0.00 O ATOM 548 CB GLU A 34 -2.614 11.225 -2.766 1.00 0.00 C ATOM 549 CG GLU A 34 -3.303 12.425 -2.095 1.00 0.00 C ATOM 550 CD GLU A 34 -2.604 13.716 -2.523 1.00 0.00 C ATOM 551 OE1 GLU A 34 -1.385 13.738 -2.510 1.00 0.00 O ATOM 552 OE2 GLU A 34 -3.300 14.662 -2.857 1.00 0.00 O ATOM 0 H GLU A 34 -4.072 8.752 -2.473 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.189 11.200 -4.204 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.210 10.558 -2.005 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.773 11.570 -3.367 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.356 12.458 -2.376 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.266 12.320 -1.011 1.00 0.00 H new ATOM 559 N GLU A 35 -1.848 10.021 -5.257 1.00 0.00 N ATOM 560 CA GLU A 35 -1.125 9.142 -6.217 1.00 0.00 C ATOM 561 C GLU A 35 0.346 9.534 -6.309 1.00 0.00 C ATOM 562 O GLU A 35 0.723 10.663 -6.067 1.00 0.00 O ATOM 563 CB GLU A 35 -1.766 9.270 -7.603 1.00 0.00 C ATOM 564 CG GLU A 35 -3.128 8.569 -7.614 1.00 0.00 C ATOM 565 CD GLU A 35 -3.667 8.524 -9.044 1.00 0.00 C ATOM 566 OE1 GLU A 35 -3.077 9.165 -9.898 1.00 0.00 O ATOM 567 OE2 GLU A 35 -4.661 7.850 -9.260 1.00 0.00 O ATOM 0 H GLU A 35 -1.486 10.970 -5.169 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.192 8.113 -5.863 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.887 10.322 -7.862 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.114 8.829 -8.357 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.032 7.558 -7.218 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.827 9.099 -6.967 1.00 0.00 H new ATOM 574 N ALA A 36 1.173 8.596 -6.677 1.00 0.00 N ATOM 575 CA ALA A 36 2.627 8.875 -6.815 1.00 0.00 C ATOM 576 C ALA A 36 3.137 8.171 -8.070 1.00 0.00 C ATOM 577 O ALA A 36 2.363 7.781 -8.922 1.00 0.00 O ATOM 578 CB ALA A 36 3.368 8.355 -5.585 1.00 0.00 C ATOM 0 H ALA A 36 0.899 7.637 -6.890 1.00 0.00 H new ATOM 0 HA ALA A 36 2.799 9.948 -6.898 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.433 8.560 -5.688 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.987 8.853 -4.693 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.213 7.280 -5.494 1.00 0.00 H new ATOM 584 N GLU A 37 4.426 8.016 -8.198 1.00 0.00 N ATOM 585 CA GLU A 37 4.980 7.347 -9.414 1.00 0.00 C ATOM 586 C GLU A 37 6.072 6.348 -9.025 1.00 0.00 C ATOM 587 O GLU A 37 6.595 5.645 -9.864 1.00 0.00 O ATOM 588 CB GLU A 37 5.576 8.405 -10.346 1.00 0.00 C ATOM 589 CG GLU A 37 5.306 9.799 -9.776 1.00 0.00 C ATOM 590 CD GLU A 37 5.848 10.857 -10.740 1.00 0.00 C ATOM 591 OE1 GLU A 37 6.856 10.591 -11.373 1.00 0.00 O ATOM 592 OE2 GLU A 37 5.245 11.914 -10.826 1.00 0.00 O ATOM 0 H GLU A 37 5.120 8.322 -7.516 1.00 0.00 H new ATOM 0 HA GLU A 37 4.175 6.813 -9.919 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.649 8.246 -10.454 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.139 8.316 -11.341 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.236 9.942 -9.627 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.781 9.903 -8.800 1.00 0.00 H new ATOM 599 N ASP A 38 6.424 6.272 -7.766 1.00 0.00 N ATOM 600 CA ASP A 38 7.487 5.308 -7.354 1.00 0.00 C ATOM 601 C ASP A 38 7.718 5.416 -5.849 1.00 0.00 C ATOM 602 O ASP A 38 7.008 6.110 -5.150 1.00 0.00 O ATOM 603 CB ASP A 38 8.798 5.627 -8.082 1.00 0.00 C ATOM 604 CG ASP A 38 9.032 7.139 -8.090 1.00 0.00 C ATOM 605 OD1 ASP A 38 8.120 7.860 -8.459 1.00 0.00 O ATOM 606 OD2 ASP A 38 10.121 7.551 -7.729 1.00 0.00 O ATOM 0 H ASP A 38 6.025 6.831 -7.012 1.00 0.00 H new ATOM 0 HA ASP A 38 7.166 4.299 -7.611 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.630 5.124 -7.589 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.758 5.251 -9.104 1.00 0.00 H new ATOM 611 N GLY A 39 8.711 4.737 -5.343 1.00 0.00 N ATOM 612 CA GLY A 39 8.989 4.807 -3.884 1.00 0.00 C ATOM 613 C GLY A 39 9.612 6.162 -3.548 1.00 0.00 C ATOM 614 O GLY A 39 9.473 6.664 -2.454 1.00 0.00 O ATOM 0 H GLY A 39 9.340 4.138 -5.878 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.066 4.669 -3.320 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.664 4.002 -3.593 1.00 0.00 H new ATOM 618 N VAL A 40 10.295 6.771 -4.478 1.00 0.00 N ATOM 619 CA VAL A 40 10.906 8.098 -4.186 1.00 0.00 C ATOM 620 C VAL A 40 9.795 9.143 -4.107 1.00 0.00 C ATOM 621 O VAL A 40 9.786 9.995 -3.239 1.00 0.00 O ATOM 622 CB VAL A 40 11.889 8.477 -5.295 1.00 0.00 C ATOM 623 CG1 VAL A 40 12.795 9.608 -4.806 1.00 0.00 C ATOM 624 CG2 VAL A 40 12.742 7.260 -5.655 1.00 0.00 C ATOM 0 H VAL A 40 10.455 6.411 -5.419 1.00 0.00 H new ATOM 0 HA VAL A 40 11.445 8.053 -3.240 1.00 0.00 H new ATOM 0 HB VAL A 40 11.337 8.808 -6.175 1.00 0.00 H new ATOM 0 HG11 VAL A 40 13.496 9.879 -5.595 1.00 0.00 H new ATOM 0 HG12 VAL A 40 12.187 10.475 -4.547 1.00 0.00 H new ATOM 0 HG13 VAL A 40 13.348 9.277 -3.927 1.00 0.00 H new ATOM 0 HG21 VAL A 40 13.443 7.528 -6.445 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.295 6.930 -4.776 1.00 0.00 H new ATOM 0 HG23 VAL A 40 12.096 6.453 -6.001 1.00 0.00 H new ATOM 634 N ASP A 41 8.847 9.069 -4.999 1.00 0.00 N ATOM 635 CA ASP A 41 7.725 10.040 -4.974 1.00 0.00 C ATOM 636 C ASP A 41 6.879 9.771 -3.735 1.00 0.00 C ATOM 637 O ASP A 41 6.490 10.673 -3.020 1.00 0.00 O ATOM 638 CB ASP A 41 6.873 9.847 -6.225 1.00 0.00 C ATOM 639 CG ASP A 41 6.043 11.107 -6.484 1.00 0.00 C ATOM 640 OD1 ASP A 41 6.633 12.123 -6.813 1.00 0.00 O ATOM 641 OD2 ASP A 41 4.833 11.034 -6.348 1.00 0.00 O ATOM 0 H ASP A 41 8.803 8.375 -5.745 1.00 0.00 H new ATOM 0 HA ASP A 41 8.106 11.061 -4.949 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.512 9.638 -7.083 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.216 8.986 -6.100 1.00 0.00 H new ATOM 646 N ALA A 42 6.600 8.524 -3.471 1.00 0.00 N ATOM 647 CA ALA A 42 5.790 8.181 -2.272 1.00 0.00 C ATOM 648 C ALA A 42 6.606 8.477 -1.016 1.00 0.00 C ATOM 649 O ALA A 42 6.084 8.930 -0.025 1.00 0.00 O ATOM 650 CB ALA A 42 5.431 6.696 -2.298 1.00 0.00 C ATOM 0 H ALA A 42 6.899 7.729 -4.035 1.00 0.00 H new ATOM 0 HA ALA A 42 4.875 8.774 -2.271 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.838 6.450 -1.417 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.855 6.477 -3.197 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.344 6.101 -2.298 1.00 0.00 H new ATOM 656 N LEU A 43 7.885 8.224 -1.053 1.00 0.00 N ATOM 657 CA LEU A 43 8.735 8.490 0.142 1.00 0.00 C ATOM 658 C LEU A 43 8.494 9.922 0.621 1.00 0.00 C ATOM 659 O LEU A 43 8.119 10.156 1.752 1.00 0.00 O ATOM 660 CB LEU A 43 10.214 8.314 -0.235 1.00 0.00 C ATOM 661 CG LEU A 43 11.121 8.835 0.887 1.00 0.00 C ATOM 662 CD1 LEU A 43 10.684 8.239 2.227 1.00 0.00 C ATOM 663 CD2 LEU A 43 12.566 8.421 0.598 1.00 0.00 C ATOM 0 H LEU A 43 8.379 7.844 -1.860 1.00 0.00 H new ATOM 0 HA LEU A 43 8.480 7.791 0.939 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.425 7.261 -0.421 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.426 8.850 -1.160 1.00 0.00 H new ATOM 0 HG LEU A 43 11.048 9.921 0.935 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.332 8.613 3.020 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.653 8.527 2.434 1.00 0.00 H new ATOM 0 HD13 LEU A 43 10.755 7.152 2.182 1.00 0.00 H new ATOM 0 HD21 LEU A 43 13.216 8.789 1.392 1.00 0.00 H new ATOM 0 HD22 LEU A 43 12.630 7.334 0.550 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.882 8.845 -0.355 1.00 0.00 H new ATOM 675 N ASN A 44 8.715 10.881 -0.233 1.00 0.00 N ATOM 676 CA ASN A 44 8.508 12.300 0.167 1.00 0.00 C ATOM 677 C ASN A 44 7.023 12.559 0.431 1.00 0.00 C ATOM 678 O ASN A 44 6.657 13.269 1.347 1.00 0.00 O ATOM 679 CB ASN A 44 8.987 13.214 -0.961 1.00 0.00 C ATOM 680 CG ASN A 44 10.516 13.188 -1.026 1.00 0.00 C ATOM 681 OD1 ASN A 44 11.177 13.936 -0.333 1.00 0.00 O ATOM 682 ND2 ASN A 44 11.109 12.352 -1.834 1.00 0.00 N ATOM 0 H ASN A 44 9.031 10.743 -1.193 1.00 0.00 H new ATOM 0 HA ASN A 44 9.073 12.503 1.077 1.00 0.00 H new ATOM 0 HB2 ASN A 44 8.567 12.887 -1.912 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.637 14.232 -0.792 1.00 0.00 H new ATOM 0 HD21 ASN A 44 12.127 12.326 -1.884 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.554 11.724 -2.416 1.00 0.00 H new ATOM 689 N LYS A 45 6.167 11.997 -0.373 1.00 0.00 N ATOM 690 CA LYS A 45 4.702 12.216 -0.186 1.00 0.00 C ATOM 691 C LYS A 45 4.210 11.499 1.075 1.00 0.00 C ATOM 692 O LYS A 45 3.193 11.849 1.637 1.00 0.00 O ATOM 693 CB LYS A 45 3.950 11.672 -1.404 1.00 0.00 C ATOM 694 CG LYS A 45 2.596 12.378 -1.530 1.00 0.00 C ATOM 695 CD LYS A 45 2.724 13.574 -2.480 1.00 0.00 C ATOM 696 CE LYS A 45 2.837 13.088 -3.930 1.00 0.00 C ATOM 697 NZ LYS A 45 1.635 13.528 -4.694 1.00 0.00 N ATOM 0 H LYS A 45 6.417 11.392 -1.156 1.00 0.00 H new ATOM 0 HA LYS A 45 4.516 13.285 -0.079 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.539 11.829 -2.308 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.803 10.597 -1.303 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.846 11.682 -1.905 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.258 12.714 -0.550 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.857 14.227 -2.374 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.602 14.164 -2.217 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.741 13.488 -4.390 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.920 12.002 -3.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.710 13.199 -5.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.780 13.126 -4.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.575 14.566 -4.679 1.00 0.00 H new ATOM 711 N LEU A 46 4.913 10.496 1.527 1.00 0.00 N ATOM 712 CA LEU A 46 4.460 9.767 2.747 1.00 0.00 C ATOM 713 C LEU A 46 4.516 10.709 3.949 1.00 0.00 C ATOM 714 O LEU A 46 4.102 10.363 5.039 1.00 0.00 O ATOM 715 CB LEU A 46 5.370 8.554 2.995 1.00 0.00 C ATOM 716 CG LEU A 46 4.568 7.246 2.892 1.00 0.00 C ATOM 717 CD1 LEU A 46 3.511 7.199 3.995 1.00 0.00 C ATOM 718 CD2 LEU A 46 3.870 7.141 1.529 1.00 0.00 C ATOM 0 H LEU A 46 5.776 10.151 1.107 1.00 0.00 H new ATOM 0 HA LEU A 46 3.436 9.420 2.604 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.182 8.547 2.268 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.826 8.630 3.982 1.00 0.00 H new ATOM 0 HG LEU A 46 5.261 6.412 3.002 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.945 6.270 3.918 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.999 7.247 4.969 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.834 8.046 3.886 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.309 6.208 1.479 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.188 7.982 1.404 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.617 7.158 0.735 1.00 0.00 H new ATOM 730 N GLN A 47 5.017 11.901 3.754 1.00 0.00 N ATOM 731 CA GLN A 47 5.097 12.884 4.874 1.00 0.00 C ATOM 732 C GLN A 47 4.027 13.960 4.677 1.00 0.00 C ATOM 733 O GLN A 47 3.807 14.794 5.533 1.00 0.00 O ATOM 734 CB GLN A 47 6.481 13.538 4.878 1.00 0.00 C ATOM 735 CG GLN A 47 6.734 14.186 6.241 1.00 0.00 C ATOM 736 CD GLN A 47 8.120 14.833 6.252 1.00 0.00 C ATOM 737 OE1 GLN A 47 9.054 14.303 5.683 1.00 0.00 O ATOM 738 NE2 GLN A 47 8.295 15.964 6.878 1.00 0.00 N ATOM 0 H GLN A 47 5.376 12.237 2.861 1.00 0.00 H new ATOM 0 HA GLN A 47 4.933 12.373 5.823 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.248 12.792 4.670 1.00 0.00 H new ATOM 0 HB3 GLN A 47 6.543 14.288 4.089 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.970 14.936 6.446 1.00 0.00 H new ATOM 0 HG3 GLN A 47 6.665 13.437 7.030 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.511 16.409 7.356 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.215 16.403 6.890 1.00 0.00 H new ATOM 747 N ALA A 48 3.362 13.948 3.552 1.00 0.00 N ATOM 748 CA ALA A 48 2.309 14.968 3.292 1.00 0.00 C ATOM 749 C ALA A 48 1.419 15.114 4.528 1.00 0.00 C ATOM 750 O ALA A 48 1.396 16.149 5.165 1.00 0.00 O ATOM 751 CB ALA A 48 1.456 14.532 2.100 1.00 0.00 C ATOM 0 H ALA A 48 3.505 13.273 2.801 1.00 0.00 H new ATOM 0 HA ALA A 48 2.782 15.925 3.070 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.686 15.280 1.911 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.088 14.431 1.218 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.985 13.574 2.320 1.00 0.00 H new ATOM 757 N GLY A 49 0.684 14.088 4.870 1.00 0.00 N ATOM 758 CA GLY A 49 -0.205 14.173 6.065 1.00 0.00 C ATOM 759 C GLY A 49 -0.211 12.831 6.798 1.00 0.00 C ATOM 760 O GLY A 49 -0.947 12.634 7.744 1.00 0.00 O ATOM 0 H GLY A 49 0.661 13.197 4.374 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.141 14.962 6.733 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.218 14.436 5.759 1.00 0.00 H new ATOM 764 N GLY A 50 0.597 11.903 6.365 1.00 0.00 N ATOM 765 CA GLY A 50 0.626 10.575 7.036 1.00 0.00 C ATOM 766 C GLY A 50 -0.511 9.723 6.485 1.00 0.00 C ATOM 767 O GLY A 50 -1.538 9.553 7.110 1.00 0.00 O ATOM 0 H GLY A 50 1.237 12.007 5.577 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.584 10.085 6.862 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.520 10.694 8.114 1.00 0.00 H new ATOM 771 N TYR A 51 -0.337 9.198 5.308 1.00 0.00 N ATOM 772 CA TYR A 51 -1.403 8.369 4.695 1.00 0.00 C ATOM 773 C TYR A 51 -1.808 7.249 5.642 1.00 0.00 C ATOM 774 O TYR A 51 -1.046 6.344 5.914 1.00 0.00 O ATOM 775 CB TYR A 51 -0.885 7.775 3.393 1.00 0.00 C ATOM 776 CG TYR A 51 -0.919 8.842 2.339 1.00 0.00 C ATOM 777 CD1 TYR A 51 -2.103 9.103 1.645 1.00 0.00 C ATOM 778 CD2 TYR A 51 0.230 9.583 2.068 1.00 0.00 C ATOM 779 CE1 TYR A 51 -2.137 10.111 0.677 1.00 0.00 C ATOM 780 CE2 TYR A 51 0.201 10.592 1.103 1.00 0.00 C ATOM 781 CZ TYR A 51 -0.980 10.859 0.406 1.00 0.00 C ATOM 782 OH TYR A 51 -1.002 11.861 -0.541 1.00 0.00 O ATOM 0 H TYR A 51 0.504 9.309 4.742 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.275 8.993 4.497 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.131 7.403 3.524 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.499 6.926 3.093 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -2.991 8.526 1.856 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.144 9.377 2.605 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -3.051 10.314 0.139 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.092 11.166 0.895 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.116 12.276 -0.599 1.00 0.00 H new ATOM 792 N GLY A 52 -3.013 7.294 6.129 1.00 0.00 N ATOM 793 CA GLY A 52 -3.483 6.225 7.043 1.00 0.00 C ATOM 794 C GLY A 52 -3.337 4.878 6.340 1.00 0.00 C ATOM 795 O GLY A 52 -3.588 3.840 6.914 1.00 0.00 O ATOM 0 H GLY A 52 -3.694 8.028 5.932 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.902 6.234 7.965 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.523 6.395 7.320 1.00 0.00 H new ATOM 799 N PHE A 53 -2.945 4.886 5.093 1.00 0.00 N ATOM 800 CA PHE A 53 -2.802 3.600 4.358 1.00 0.00 C ATOM 801 C PHE A 53 -2.003 3.815 3.067 1.00 0.00 C ATOM 802 O PHE A 53 -2.163 4.815 2.395 1.00 0.00 O ATOM 803 CB PHE A 53 -4.192 3.099 4.007 1.00 0.00 C ATOM 804 CG PHE A 53 -4.308 1.625 4.279 1.00 0.00 C ATOM 805 CD1 PHE A 53 -4.681 1.170 5.546 1.00 0.00 C ATOM 806 CD2 PHE A 53 -4.073 0.712 3.252 1.00 0.00 C ATOM 807 CE1 PHE A 53 -4.821 -0.197 5.782 1.00 0.00 C ATOM 808 CE2 PHE A 53 -4.210 -0.656 3.483 1.00 0.00 C ATOM 809 CZ PHE A 53 -4.587 -1.116 4.751 1.00 0.00 C ATOM 0 H PHE A 53 -2.719 5.723 4.556 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.276 2.876 4.980 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.937 3.641 4.589 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.401 3.298 2.956 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.861 1.877 6.342 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.784 1.066 2.274 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.110 -0.548 6.762 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.026 -1.360 2.685 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.697 -2.175 4.933 1.00 0.00 H new ATOM 819 N VAL A 54 -1.149 2.883 2.713 1.00 0.00 N ATOM 820 CA VAL A 54 -0.347 3.049 1.456 1.00 0.00 C ATOM 821 C VAL A 54 -0.354 1.761 0.628 1.00 0.00 C ATOM 822 O VAL A 54 0.181 0.747 1.032 1.00 0.00 O ATOM 823 CB VAL A 54 1.106 3.380 1.809 1.00 0.00 C ATOM 824 CG1 VAL A 54 1.907 3.697 0.538 1.00 0.00 C ATOM 825 CG2 VAL A 54 1.156 4.584 2.752 1.00 0.00 C ATOM 0 H VAL A 54 -0.973 2.023 3.233 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.796 3.856 0.877 1.00 0.00 H new ATOM 0 HB VAL A 54 1.546 2.513 2.302 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.937 3.930 0.806 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.891 2.833 -0.127 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.461 4.553 0.031 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.193 4.811 2.997 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.701 5.447 2.265 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.609 4.353 3.666 1.00 0.00 H new ATOM 835 N ILE A 55 -0.917 1.814 -0.547 1.00 0.00 N ATOM 836 CA ILE A 55 -0.920 0.619 -1.438 1.00 0.00 C ATOM 837 C ILE A 55 0.232 0.802 -2.438 1.00 0.00 C ATOM 838 O ILE A 55 0.049 1.325 -3.525 1.00 0.00 O ATOM 839 CB ILE A 55 -2.250 0.546 -2.195 1.00 0.00 C ATOM 840 CG1 ILE A 55 -3.406 0.536 -1.192 1.00 0.00 C ATOM 841 CG2 ILE A 55 -2.294 -0.734 -3.028 1.00 0.00 C ATOM 842 CD1 ILE A 55 -4.739 0.544 -1.945 1.00 0.00 C ATOM 0 H ILE A 55 -1.378 2.639 -0.931 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.798 -0.299 -0.863 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.341 1.411 -2.851 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.341 -0.347 -0.556 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.341 1.406 -0.538 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.240 -0.785 -3.566 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.470 -0.732 -3.742 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.203 -1.599 -2.371 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.561 0.537 -1.229 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.803 1.440 -2.562 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.803 -0.339 -2.580 1.00 0.00 H new ATOM 854 N SER A 56 1.426 0.417 -2.066 1.00 0.00 N ATOM 855 CA SER A 56 2.591 0.608 -2.980 1.00 0.00 C ATOM 856 C SER A 56 2.810 -0.640 -3.834 1.00 0.00 C ATOM 857 O SER A 56 2.189 -1.662 -3.631 1.00 0.00 O ATOM 858 CB SER A 56 3.847 0.880 -2.150 1.00 0.00 C ATOM 859 OG SER A 56 4.111 -0.241 -1.318 1.00 0.00 O ATOM 0 H SER A 56 1.644 -0.020 -1.171 1.00 0.00 H new ATOM 0 HA SER A 56 2.388 1.454 -3.637 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.697 1.069 -2.806 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.709 1.774 -1.542 1.00 0.00 H new ATOM 0 HG SER A 56 4.408 0.068 -0.437 1.00 0.00 H new ATOM 865 N ASP A 57 3.697 -0.557 -4.793 1.00 0.00 N ATOM 866 CA ASP A 57 3.968 -1.730 -5.672 1.00 0.00 C ATOM 867 C ASP A 57 5.172 -2.510 -5.141 1.00 0.00 C ATOM 868 O ASP A 57 5.097 -3.160 -4.117 1.00 0.00 O ATOM 869 CB ASP A 57 4.263 -1.244 -7.093 1.00 0.00 C ATOM 870 CG ASP A 57 5.173 -0.017 -7.035 1.00 0.00 C ATOM 871 OD1 ASP A 57 4.699 1.030 -6.627 1.00 0.00 O ATOM 872 OD2 ASP A 57 6.331 -0.145 -7.398 1.00 0.00 O ATOM 0 H ASP A 57 4.246 0.276 -5.004 1.00 0.00 H new ATOM 0 HA ASP A 57 3.094 -2.381 -5.681 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.741 -2.037 -7.668 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.333 -0.996 -7.604 1.00 0.00 H new ATOM 877 N TRP A 58 6.282 -2.464 -5.830 1.00 0.00 N ATOM 878 CA TRP A 58 7.472 -3.221 -5.351 1.00 0.00 C ATOM 879 C TRP A 58 8.753 -2.658 -5.977 1.00 0.00 C ATOM 880 O TRP A 58 9.453 -1.877 -5.364 1.00 0.00 O ATOM 881 CB TRP A 58 7.310 -4.694 -5.738 1.00 0.00 C ATOM 882 CG TRP A 58 8.322 -5.520 -5.017 1.00 0.00 C ATOM 883 CD1 TRP A 58 9.373 -6.145 -5.595 1.00 0.00 C ATOM 884 CD2 TRP A 58 8.394 -5.827 -3.598 1.00 0.00 C ATOM 885 NE1 TRP A 58 10.086 -6.817 -4.618 1.00 0.00 N ATOM 886 CE2 TRP A 58 9.521 -6.650 -3.369 1.00 0.00 C ATOM 887 CE3 TRP A 58 7.596 -5.473 -2.497 1.00 0.00 C ATOM 888 CZ2 TRP A 58 9.844 -7.107 -2.091 1.00 0.00 C ATOM 889 CZ3 TRP A 58 7.918 -5.929 -1.211 1.00 0.00 C ATOM 890 CH2 TRP A 58 9.037 -6.744 -1.008 1.00 0.00 C ATOM 0 H TRP A 58 6.414 -1.940 -6.695 1.00 0.00 H new ATOM 0 HA TRP A 58 7.548 -3.126 -4.268 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.305 -5.036 -5.491 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.431 -4.812 -6.815 1.00 0.00 H new ATOM 0 HD1 TRP A 58 9.616 -6.123 -6.647 1.00 0.00 H new ATOM 0 HE1 TRP A 58 10.925 -7.368 -4.798 1.00 0.00 H new ATOM 0 HE3 TRP A 58 6.729 -4.846 -2.642 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 10.709 -7.735 -1.939 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 7.298 -5.649 -0.372 1.00 0.00 H new ATOM 0 HH2 TRP A 58 9.278 -7.093 -0.015 1.00 0.00 H new ATOM 901 N ASN A 59 9.074 -3.056 -7.184 1.00 0.00 N ATOM 902 CA ASN A 59 10.319 -2.549 -7.833 1.00 0.00 C ATOM 903 C ASN A 59 10.059 -2.247 -9.309 1.00 0.00 C ATOM 904 O ASN A 59 10.972 -1.963 -10.058 1.00 0.00 O ATOM 905 CB ASN A 59 11.418 -3.609 -7.722 1.00 0.00 C ATOM 906 CG ASN A 59 11.551 -4.064 -6.267 1.00 0.00 C ATOM 907 OD1 ASN A 59 11.354 -3.287 -5.354 1.00 0.00 O ATOM 908 ND2 ASN A 59 11.881 -5.301 -6.010 1.00 0.00 N ATOM 0 H ASN A 59 8.527 -3.709 -7.745 1.00 0.00 H new ATOM 0 HA ASN A 59 10.633 -1.634 -7.331 1.00 0.00 H new ATOM 0 HB2 ASN A 59 11.181 -4.461 -8.359 1.00 0.00 H new ATOM 0 HB3 ASN A 59 12.366 -3.202 -8.074 1.00 0.00 H new ATOM 0 HD21 ASN A 59 11.973 -5.614 -5.044 1.00 0.00 H new ATOM 0 HD22 ASN A 59 12.047 -5.954 -6.776 1.00 0.00 H new ATOM 915 N MET A 60 8.828 -2.294 -9.739 1.00 0.00 N ATOM 916 CA MET A 60 8.548 -1.993 -11.167 1.00 0.00 C ATOM 917 C MET A 60 9.156 -0.630 -11.539 1.00 0.00 C ATOM 918 O MET A 60 9.855 -0.539 -12.529 1.00 0.00 O ATOM 919 CB MET A 60 7.037 -1.999 -11.430 1.00 0.00 C ATOM 920 CG MET A 60 6.703 -3.106 -12.432 1.00 0.00 C ATOM 921 SD MET A 60 7.495 -2.744 -14.018 1.00 0.00 S ATOM 922 CE MET A 60 6.524 -3.894 -15.025 1.00 0.00 C ATOM 0 H MET A 60 8.014 -2.525 -9.169 1.00 0.00 H new ATOM 0 HA MET A 60 9.003 -2.764 -11.788 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.495 -2.160 -10.498 1.00 0.00 H new ATOM 0 HB3 MET A 60 6.720 -1.032 -11.820 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.046 -4.069 -12.054 1.00 0.00 H new ATOM 0 HG3 MET A 60 5.623 -3.180 -12.561 1.00 0.00 H new ATOM 0 HE1 MET A 60 6.852 -3.835 -16.063 1.00 0.00 H new ATOM 0 HE2 MET A 60 6.666 -4.910 -14.656 1.00 0.00 H new ATOM 0 HE3 MET A 60 5.468 -3.630 -14.963 1.00 0.00 H new ATOM 932 N PRO A 61 8.903 0.400 -10.749 1.00 0.00 N ATOM 933 CA PRO A 61 9.466 1.734 -11.036 1.00 0.00 C ATOM 934 C PRO A 61 10.992 1.689 -10.885 1.00 0.00 C ATOM 935 O PRO A 61 11.601 0.642 -10.975 1.00 0.00 O ATOM 936 CB PRO A 61 8.844 2.665 -9.985 1.00 0.00 C ATOM 937 CG PRO A 61 7.915 1.811 -9.089 1.00 0.00 C ATOM 938 CD PRO A 61 8.052 0.348 -9.536 1.00 0.00 C ATOM 0 HA PRO A 61 9.250 2.073 -12.049 1.00 0.00 H new ATOM 0 HB2 PRO A 61 9.622 3.139 -9.387 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.281 3.464 -10.467 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.191 1.918 -8.040 1.00 0.00 H new ATOM 0 HG3 PRO A 61 6.881 2.144 -9.182 1.00 0.00 H new ATOM 0 HD2 PRO A 61 8.510 -0.262 -8.757 1.00 0.00 H new ATOM 0 HD3 PRO A 61 7.079 -0.092 -9.754 1.00 0.00 H new ATOM 946 N ASN A 62 11.614 2.812 -10.649 1.00 0.00 N ATOM 947 CA ASN A 62 13.096 2.822 -10.486 1.00 0.00 C ATOM 948 C ASN A 62 13.450 2.498 -9.031 1.00 0.00 C ATOM 949 O ASN A 62 12.761 2.896 -8.112 1.00 0.00 O ATOM 950 CB ASN A 62 13.641 4.205 -10.849 1.00 0.00 C ATOM 951 CG ASN A 62 12.949 5.268 -9.994 1.00 0.00 C ATOM 952 OD1 ASN A 62 11.958 4.922 -9.218 1.00 0.00 O flip ATOM 953 ND2 ASN A 62 13.313 6.427 -10.032 1.00 0.00 N flip ATOM 0 H ASN A 62 11.161 3.722 -10.562 1.00 0.00 H new ATOM 0 HA ASN A 62 13.540 2.074 -11.144 1.00 0.00 H new ATOM 0 HB2 ASN A 62 14.718 4.237 -10.686 1.00 0.00 H new ATOM 0 HB3 ASN A 62 13.472 4.408 -11.907 1.00 0.00 H new ATOM 0 HD21 ASN A 62 14.087 6.699 -10.638 1.00 0.00 H new ATOM 0 HD22 ASN A 62 12.844 7.128 -9.458 1.00 0.00 H new ATOM 960 N MET A 63 14.520 1.779 -8.816 1.00 0.00 N ATOM 961 CA MET A 63 14.922 1.428 -7.422 1.00 0.00 C ATOM 962 C MET A 63 13.993 0.342 -6.874 1.00 0.00 C ATOM 963 O MET A 63 13.484 -0.481 -7.611 1.00 0.00 O ATOM 964 CB MET A 63 14.836 2.673 -6.535 1.00 0.00 C ATOM 965 CG MET A 63 15.945 2.625 -5.481 1.00 0.00 C ATOM 966 SD MET A 63 15.778 4.040 -4.365 1.00 0.00 S ATOM 967 CE MET A 63 16.070 5.337 -5.592 1.00 0.00 C ATOM 0 H MET A 63 15.134 1.419 -9.547 1.00 0.00 H new ATOM 0 HA MET A 63 15.946 1.056 -7.426 1.00 0.00 H new ATOM 0 HB2 MET A 63 14.935 3.573 -7.142 1.00 0.00 H new ATOM 0 HB3 MET A 63 13.861 2.721 -6.051 1.00 0.00 H new ATOM 0 HG2 MET A 63 15.885 1.694 -4.917 1.00 0.00 H new ATOM 0 HG3 MET A 63 16.922 2.643 -5.964 1.00 0.00 H new ATOM 0 HE1 MET A 63 16.465 6.224 -5.097 1.00 0.00 H new ATOM 0 HE2 MET A 63 16.789 4.983 -6.331 1.00 0.00 H new ATOM 0 HE3 MET A 63 15.132 5.586 -6.088 1.00 0.00 H new ATOM 977 N ASP A 64 13.771 0.332 -5.584 1.00 0.00 N ATOM 978 CA ASP A 64 12.880 -0.700 -4.977 1.00 0.00 C ATOM 979 C ASP A 64 11.979 -0.045 -3.928 1.00 0.00 C ATOM 980 O ASP A 64 12.221 1.063 -3.493 1.00 0.00 O ATOM 981 CB ASP A 64 13.733 -1.782 -4.309 1.00 0.00 C ATOM 982 CG ASP A 64 14.908 -1.128 -3.581 1.00 0.00 C ATOM 983 OD1 ASP A 64 14.808 0.049 -3.275 1.00 0.00 O ATOM 984 OD2 ASP A 64 15.887 -1.814 -3.341 1.00 0.00 O ATOM 0 H ASP A 64 14.171 0.998 -4.923 1.00 0.00 H new ATOM 0 HA ASP A 64 12.264 -1.150 -5.756 1.00 0.00 H new ATOM 0 HB2 ASP A 64 13.128 -2.354 -3.605 1.00 0.00 H new ATOM 0 HB3 ASP A 64 14.100 -2.484 -5.057 1.00 0.00 H new ATOM 989 N GLY A 65 10.938 -0.721 -3.517 1.00 0.00 N ATOM 990 CA GLY A 65 10.027 -0.130 -2.495 1.00 0.00 C ATOM 991 C GLY A 65 10.485 -0.543 -1.096 1.00 0.00 C ATOM 992 O GLY A 65 10.064 0.016 -0.107 1.00 0.00 O ATOM 0 H GLY A 65 10.681 -1.652 -3.844 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.024 0.957 -2.581 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.005 -0.466 -2.667 1.00 0.00 H new ATOM 996 N LEU A 66 11.343 -1.520 -0.993 1.00 0.00 N ATOM 997 CA LEU A 66 11.804 -1.943 0.358 1.00 0.00 C ATOM 998 C LEU A 66 12.284 -0.711 1.123 1.00 0.00 C ATOM 999 O LEU A 66 11.843 -0.441 2.222 1.00 0.00 O ATOM 1000 CB LEU A 66 12.952 -2.951 0.231 1.00 0.00 C ATOM 1001 CG LEU A 66 12.646 -4.205 1.063 1.00 0.00 C ATOM 1002 CD1 LEU A 66 12.409 -3.809 2.523 1.00 0.00 C ATOM 1003 CD2 LEU A 66 11.395 -4.903 0.516 1.00 0.00 C ATOM 0 H LEU A 66 11.741 -2.038 -1.776 1.00 0.00 H new ATOM 0 HA LEU A 66 10.981 -2.416 0.893 1.00 0.00 H new ATOM 0 HB2 LEU A 66 13.093 -3.224 -0.815 1.00 0.00 H new ATOM 0 HB3 LEU A 66 13.884 -2.498 0.570 1.00 0.00 H new ATOM 0 HG LEU A 66 13.494 -4.887 1.003 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.192 -4.701 3.111 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.301 -3.322 2.917 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.565 -3.122 2.581 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.184 -5.791 1.111 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.546 -4.222 0.568 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.564 -5.193 -0.521 1.00 0.00 H new ATOM 1015 N GLU A 67 13.172 0.049 0.546 1.00 0.00 N ATOM 1016 CA GLU A 67 13.658 1.270 1.242 1.00 0.00 C ATOM 1017 C GLU A 67 12.448 2.111 1.651 1.00 0.00 C ATOM 1018 O GLU A 67 12.511 2.908 2.565 1.00 0.00 O ATOM 1019 CB GLU A 67 14.551 2.078 0.298 1.00 0.00 C ATOM 1020 CG GLU A 67 15.927 2.273 0.939 1.00 0.00 C ATOM 1021 CD GLU A 67 15.783 3.108 2.213 1.00 0.00 C ATOM 1022 OE1 GLU A 67 15.780 4.323 2.106 1.00 0.00 O ATOM 1023 OE2 GLU A 67 15.677 2.517 3.275 1.00 0.00 O ATOM 0 H GLU A 67 13.580 -0.122 -0.373 1.00 0.00 H new ATOM 0 HA GLU A 67 14.235 0.993 2.124 1.00 0.00 H new ATOM 0 HB2 GLU A 67 14.652 1.560 -0.656 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.095 3.046 0.088 1.00 0.00 H new ATOM 0 HG2 GLU A 67 16.371 1.306 1.174 1.00 0.00 H new ATOM 0 HG3 GLU A 67 16.599 2.771 0.239 1.00 0.00 H new ATOM 1030 N LEU A 68 11.343 1.927 0.980 1.00 0.00 N ATOM 1031 CA LEU A 68 10.117 2.699 1.322 1.00 0.00 C ATOM 1032 C LEU A 68 9.622 2.258 2.697 1.00 0.00 C ATOM 1033 O LEU A 68 9.450 3.056 3.592 1.00 0.00 O ATOM 1034 CB LEU A 68 9.033 2.412 0.276 1.00 0.00 C ATOM 1035 CG LEU A 68 8.081 3.606 0.154 1.00 0.00 C ATOM 1036 CD1 LEU A 68 8.807 4.809 -0.451 1.00 0.00 C ATOM 1037 CD2 LEU A 68 6.908 3.212 -0.748 1.00 0.00 C ATOM 0 H LEU A 68 11.238 1.271 0.206 1.00 0.00 H new ATOM 0 HA LEU A 68 10.340 3.766 1.334 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.495 2.207 -0.690 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.474 1.520 0.558 1.00 0.00 H new ATOM 0 HG LEU A 68 7.720 3.880 1.145 1.00 0.00 H new ATOM 0 HD11 LEU A 68 8.116 5.648 -0.531 1.00 0.00 H new ATOM 0 HD12 LEU A 68 9.645 5.088 0.188 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.178 4.549 -1.442 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.223 4.054 -0.843 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.283 2.937 -1.734 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.382 2.364 -0.311 1.00 0.00 H new ATOM 1049 N LEU A 69 9.396 0.988 2.867 1.00 0.00 N ATOM 1050 CA LEU A 69 8.915 0.475 4.183 1.00 0.00 C ATOM 1051 C LEU A 69 9.918 0.863 5.272 1.00 0.00 C ATOM 1052 O LEU A 69 9.611 1.617 6.173 1.00 0.00 O ATOM 1053 CB LEU A 69 8.824 -1.048 4.101 1.00 0.00 C ATOM 1054 CG LEU A 69 7.522 -1.563 4.720 1.00 0.00 C ATOM 1055 CD1 LEU A 69 7.379 -3.059 4.416 1.00 0.00 C ATOM 1056 CD2 LEU A 69 7.525 -1.368 6.245 1.00 0.00 C ATOM 0 H LEU A 69 9.524 0.276 2.148 1.00 0.00 H new ATOM 0 HA LEU A 69 7.940 0.899 4.421 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.883 -1.362 3.059 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.675 -1.493 4.616 1.00 0.00 H new ATOM 0 HG LEU A 69 6.691 -1.002 4.294 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.453 -3.432 4.854 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.357 -3.210 3.337 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.225 -3.599 4.841 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.590 -1.742 6.661 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.361 -1.916 6.680 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.627 -0.308 6.476 1.00 0.00 H new ATOM 1068 N LYS A 70 11.113 0.348 5.195 1.00 0.00 N ATOM 1069 CA LYS A 70 12.142 0.681 6.223 1.00 0.00 C ATOM 1070 C LYS A 70 12.130 2.187 6.498 1.00 0.00 C ATOM 1071 O LYS A 70 12.141 2.619 7.633 1.00 0.00 O ATOM 1072 CB LYS A 70 13.524 0.266 5.713 1.00 0.00 C ATOM 1073 CG LYS A 70 14.377 -0.225 6.885 1.00 0.00 C ATOM 1074 CD LYS A 70 15.801 -0.503 6.398 1.00 0.00 C ATOM 1075 CE LYS A 70 16.636 -1.058 7.554 1.00 0.00 C ATOM 1076 NZ LYS A 70 16.959 -2.490 7.293 1.00 0.00 N ATOM 0 H LYS A 70 11.424 -0.291 4.463 1.00 0.00 H new ATOM 0 HA LYS A 70 11.917 0.145 7.145 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.426 -0.522 4.966 1.00 0.00 H new ATOM 0 HB3 LYS A 70 14.011 1.110 5.224 1.00 0.00 H new ATOM 0 HG2 LYS A 70 14.392 0.524 7.677 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.943 -1.130 7.310 1.00 0.00 H new ATOM 0 HD2 LYS A 70 15.782 -1.216 5.574 1.00 0.00 H new ATOM 0 HD3 LYS A 70 16.252 0.413 6.017 1.00 0.00 H new ATOM 0 HE2 LYS A 70 17.554 -0.481 7.663 1.00 0.00 H new ATOM 0 HE3 LYS A 70 16.087 -0.963 8.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 17.526 -2.867 8.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 16.077 -3.035 7.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 17.499 -2.568 6.408 1.00 0.00 H new ATOM 1090 N THR A 71 12.102 2.994 5.471 1.00 0.00 N ATOM 1091 CA THR A 71 12.082 4.468 5.688 1.00 0.00 C ATOM 1092 C THR A 71 10.781 4.854 6.394 1.00 0.00 C ATOM 1093 O THR A 71 10.776 5.637 7.322 1.00 0.00 O ATOM 1094 CB THR A 71 12.165 5.190 4.340 1.00 0.00 C ATOM 1095 OG1 THR A 71 11.192 4.654 3.456 1.00 0.00 O ATOM 1096 CG2 THR A 71 13.561 5.005 3.742 1.00 0.00 C ATOM 0 H THR A 71 12.092 2.697 4.495 1.00 0.00 H new ATOM 0 HA THR A 71 12.935 4.757 6.303 1.00 0.00 H new ATOM 0 HB THR A 71 11.975 6.253 4.486 1.00 0.00 H new ATOM 0 HG1 THR A 71 11.628 4.056 2.813 1.00 0.00 H new ATOM 0 HG21 THR A 71 13.617 5.520 2.783 1.00 0.00 H new ATOM 0 HG22 THR A 71 14.306 5.420 4.421 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.756 3.943 3.596 1.00 0.00 H new ATOM 1104 N ILE A 72 9.678 4.302 5.965 1.00 0.00 N ATOM 1105 CA ILE A 72 8.380 4.629 6.616 1.00 0.00 C ATOM 1106 C ILE A 72 8.495 4.340 8.114 1.00 0.00 C ATOM 1107 O ILE A 72 7.824 4.944 8.928 1.00 0.00 O ATOM 1108 CB ILE A 72 7.264 3.769 6.010 1.00 0.00 C ATOM 1109 CG1 ILE A 72 6.925 4.278 4.600 1.00 0.00 C ATOM 1110 CG2 ILE A 72 6.016 3.861 6.891 1.00 0.00 C ATOM 1111 CD1 ILE A 72 6.341 3.139 3.745 1.00 0.00 C ATOM 0 H ILE A 72 9.621 3.639 5.192 1.00 0.00 H new ATOM 0 HA ILE A 72 8.142 5.681 6.457 1.00 0.00 H new ATOM 0 HB ILE A 72 7.599 2.734 5.952 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.209 5.097 4.664 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.822 4.675 4.124 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.222 3.250 6.462 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.250 3.500 7.892 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.686 4.898 6.947 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.106 3.515 2.749 1.00 0.00 H new ATOM 0 HD12 ILE A 72 7.070 2.333 3.666 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.432 2.761 4.214 1.00 0.00 H new ATOM 1123 N ARG A 73 9.350 3.423 8.485 1.00 0.00 N ATOM 1124 CA ARG A 73 9.513 3.099 9.929 1.00 0.00 C ATOM 1125 C ARG A 73 10.599 3.993 10.531 1.00 0.00 C ATOM 1126 O ARG A 73 10.567 4.324 11.700 1.00 0.00 O ATOM 1127 CB ARG A 73 9.917 1.630 10.082 1.00 0.00 C ATOM 1128 CG ARG A 73 9.039 0.968 11.145 1.00 0.00 C ATOM 1129 CD ARG A 73 9.556 -0.444 11.430 1.00 0.00 C ATOM 1130 NE ARG A 73 10.177 -0.479 12.784 1.00 0.00 N ATOM 1131 CZ ARG A 73 10.415 -1.625 13.362 1.00 0.00 C ATOM 1132 NH1 ARG A 73 9.604 -2.629 13.177 1.00 0.00 N ATOM 1133 NH2 ARG A 73 11.462 -1.764 14.128 1.00 0.00 N ATOM 0 H ARG A 73 9.941 2.886 7.850 1.00 0.00 H new ATOM 0 HA ARG A 73 8.570 3.271 10.449 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.808 1.111 9.130 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.967 1.558 10.366 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.048 1.561 12.060 1.00 0.00 H new ATOM 0 HG3 ARG A 73 8.005 0.926 10.803 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.737 -1.161 11.375 1.00 0.00 H new ATOM 0 HD3 ARG A 73 10.286 -0.735 10.675 1.00 0.00 H new ATOM 0 HE ARG A 73 10.416 0.392 13.259 1.00 0.00 H new ATOM 0 HH11 ARG A 73 8.784 -2.519 12.581 1.00 0.00 H new ATOM 0 HH12 ARG A 73 9.790 -3.525 13.629 1.00 0.00 H new ATOM 0 HH21 ARG A 73 12.094 -0.977 14.275 1.00 0.00 H new ATOM 0 HH22 ARG A 73 11.648 -2.659 14.580 1.00 0.00 H new ATOM 1147 N ALA A 74 11.559 4.389 9.741 1.00 0.00 N ATOM 1148 CA ALA A 74 12.644 5.263 10.267 1.00 0.00 C ATOM 1149 C ALA A 74 12.025 6.444 11.017 1.00 0.00 C ATOM 1150 O ALA A 74 12.602 6.972 11.947 1.00 0.00 O ATOM 1151 CB ALA A 74 13.489 5.785 9.103 1.00 0.00 C ATOM 0 H ALA A 74 11.638 4.145 8.754 1.00 0.00 H new ATOM 0 HA ALA A 74 13.276 4.690 10.946 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.283 6.425 9.488 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.928 4.944 8.567 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.858 6.359 8.424 1.00 0.00 H new ATOM 1157 N ASP A 75 10.856 6.861 10.619 1.00 0.00 N ATOM 1158 CA ASP A 75 10.199 8.006 11.310 1.00 0.00 C ATOM 1159 C ASP A 75 9.517 7.506 12.585 1.00 0.00 C ATOM 1160 O ASP A 75 8.563 6.755 12.536 1.00 0.00 O ATOM 1161 CB ASP A 75 9.153 8.629 10.382 1.00 0.00 C ATOM 1162 CG ASP A 75 9.282 10.153 10.417 1.00 0.00 C ATOM 1163 OD1 ASP A 75 8.846 10.743 11.393 1.00 0.00 O ATOM 1164 OD2 ASP A 75 9.815 10.704 9.468 1.00 0.00 O ATOM 0 H ASP A 75 10.327 6.459 9.845 1.00 0.00 H new ATOM 0 HA ASP A 75 10.948 8.755 11.567 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.292 8.265 9.364 1.00 0.00 H new ATOM 0 HB3 ASP A 75 8.152 8.331 10.693 1.00 0.00 H new ATOM 1169 N GLY A 76 9.998 7.916 13.726 1.00 0.00 N ATOM 1170 CA GLY A 76 9.377 7.461 15.002 1.00 0.00 C ATOM 1171 C GLY A 76 8.027 8.153 15.190 1.00 0.00 C ATOM 1172 O GLY A 76 7.159 7.664 15.886 1.00 0.00 O ATOM 0 H GLY A 76 10.793 8.546 13.830 1.00 0.00 H new ATOM 0 HA2 GLY A 76 9.244 6.379 14.988 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.035 7.690 15.840 1.00 0.00 H new ATOM 1176 N ALA A 77 7.840 9.288 14.574 1.00 0.00 N ATOM 1177 CA ALA A 77 6.545 10.010 14.719 1.00 0.00 C ATOM 1178 C ALA A 77 5.396 9.084 14.314 1.00 0.00 C ATOM 1179 O ALA A 77 4.399 8.983 15.001 1.00 0.00 O ATOM 1180 CB ALA A 77 6.547 11.245 13.817 1.00 0.00 C ATOM 0 H ALA A 77 8.528 9.746 13.977 1.00 0.00 H new ATOM 0 HA ALA A 77 6.414 10.318 15.757 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.600 11.774 13.922 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.365 11.905 14.105 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.677 10.938 12.779 1.00 0.00 H new ATOM 1186 N MET A 78 5.532 8.407 13.205 1.00 0.00 N ATOM 1187 CA MET A 78 4.454 7.483 12.749 1.00 0.00 C ATOM 1188 C MET A 78 4.838 6.049 13.110 1.00 0.00 C ATOM 1189 O MET A 78 4.315 5.468 14.040 1.00 0.00 O ATOM 1190 CB MET A 78 4.293 7.600 11.232 1.00 0.00 C ATOM 1191 CG MET A 78 3.411 8.806 10.899 1.00 0.00 C ATOM 1192 SD MET A 78 3.875 10.208 11.948 1.00 0.00 S ATOM 1193 CE MET A 78 5.060 10.962 10.807 1.00 0.00 C ATOM 0 H MET A 78 6.347 8.455 12.593 1.00 0.00 H new ATOM 0 HA MET A 78 3.514 7.745 13.235 1.00 0.00 H new ATOM 0 HB2 MET A 78 5.269 7.710 10.760 1.00 0.00 H new ATOM 0 HB3 MET A 78 3.847 6.689 10.833 1.00 0.00 H new ATOM 0 HG2 MET A 78 3.524 9.072 9.848 1.00 0.00 H new ATOM 0 HG3 MET A 78 2.362 8.555 11.053 1.00 0.00 H new ATOM 0 HE1 MET A 78 5.465 11.871 11.252 1.00 0.00 H new ATOM 0 HE2 MET A 78 5.871 10.261 10.610 1.00 0.00 H new ATOM 0 HE3 MET A 78 4.558 11.209 9.871 1.00 0.00 H new ATOM 1203 N SER A 79 5.754 5.482 12.379 1.00 0.00 N ATOM 1204 CA SER A 79 6.194 4.086 12.667 1.00 0.00 C ATOM 1205 C SER A 79 4.976 3.196 12.925 1.00 0.00 C ATOM 1206 O SER A 79 5.086 2.141 13.518 1.00 0.00 O ATOM 1207 CB SER A 79 7.095 4.081 13.902 1.00 0.00 C ATOM 1208 OG SER A 79 8.244 3.285 13.642 1.00 0.00 O ATOM 0 H SER A 79 6.221 5.927 11.589 1.00 0.00 H new ATOM 0 HA SER A 79 6.744 3.701 11.808 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.393 5.099 14.153 1.00 0.00 H new ATOM 0 HB3 SER A 79 6.552 3.687 14.761 1.00 0.00 H new ATOM 0 HG SER A 79 8.833 3.756 13.016 1.00 0.00 H new ATOM 1214 N ALA A 80 3.816 3.608 12.491 1.00 0.00 N ATOM 1215 CA ALA A 80 2.605 2.771 12.725 1.00 0.00 C ATOM 1216 C ALA A 80 1.591 2.983 11.598 1.00 0.00 C ATOM 1217 O ALA A 80 0.417 2.714 11.756 1.00 0.00 O ATOM 1218 CB ALA A 80 1.968 3.161 14.059 1.00 0.00 C ATOM 0 H ALA A 80 3.655 4.481 11.988 1.00 0.00 H new ATOM 0 HA ALA A 80 2.898 1.721 12.748 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.082 2.550 14.232 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.684 2.999 14.865 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.684 4.213 14.033 1.00 0.00 H new ATOM 1224 N LEU A 81 2.023 3.463 10.464 1.00 0.00 N ATOM 1225 CA LEU A 81 1.061 3.682 9.348 1.00 0.00 C ATOM 1226 C LEU A 81 0.870 2.353 8.576 1.00 0.00 C ATOM 1227 O LEU A 81 1.837 1.829 8.058 1.00 0.00 O ATOM 1228 CB LEU A 81 1.624 4.742 8.389 1.00 0.00 C ATOM 1229 CG LEU A 81 1.105 6.138 8.767 1.00 0.00 C ATOM 1230 CD1 LEU A 81 1.732 7.179 7.842 1.00 0.00 C ATOM 1231 CD2 LEU A 81 -0.417 6.197 8.609 1.00 0.00 C ATOM 0 H LEU A 81 2.992 3.711 10.263 1.00 0.00 H new ATOM 0 HA LEU A 81 0.106 4.021 9.749 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.713 4.731 8.424 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.335 4.505 7.365 1.00 0.00 H new ATOM 0 HG LEU A 81 1.372 6.343 9.804 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.365 8.170 8.108 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.817 7.153 7.947 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.462 6.958 6.809 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.773 7.191 8.880 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.684 5.986 7.573 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.879 5.456 9.261 1.00 0.00 H new ATOM 1243 N PRO A 82 -0.346 1.817 8.508 1.00 0.00 N ATOM 1244 CA PRO A 82 -0.577 0.545 7.790 1.00 0.00 C ATOM 1245 C PRO A 82 -0.196 0.641 6.307 1.00 0.00 C ATOM 1246 O PRO A 82 -0.967 1.079 5.475 1.00 0.00 O ATOM 1247 CB PRO A 82 -2.080 0.266 7.938 1.00 0.00 C ATOM 1248 CG PRO A 82 -2.693 1.409 8.776 1.00 0.00 C ATOM 1249 CD PRO A 82 -1.567 2.395 9.119 1.00 0.00 C ATOM 0 HA PRO A 82 0.041 -0.252 8.204 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.557 0.212 6.959 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -2.244 -0.695 8.425 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.483 1.911 8.218 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.146 1.015 9.686 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.776 3.387 8.718 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.454 2.504 10.198 1.00 0.00 H new ATOM 1257 N VAL A 83 0.976 0.184 5.961 1.00 0.00 N ATOM 1258 CA VAL A 83 1.383 0.196 4.530 1.00 0.00 C ATOM 1259 C VAL A 83 1.156 -1.189 3.973 1.00 0.00 C ATOM 1260 O VAL A 83 1.746 -2.144 4.435 1.00 0.00 O ATOM 1261 CB VAL A 83 2.879 0.502 4.379 1.00 0.00 C ATOM 1262 CG1 VAL A 83 3.412 -0.144 3.080 1.00 0.00 C ATOM 1263 CG2 VAL A 83 3.121 2.008 4.329 1.00 0.00 C ATOM 0 H VAL A 83 1.668 -0.196 6.607 1.00 0.00 H new ATOM 0 HA VAL A 83 0.804 0.959 4.010 1.00 0.00 H new ATOM 0 HB VAL A 83 3.404 0.091 5.241 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.475 0.074 2.974 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.266 -1.223 3.124 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.872 0.261 2.224 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.188 2.202 4.222 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.588 2.434 3.479 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.760 2.465 5.250 1.00 0.00 H new ATOM 1273 N LEU A 84 0.355 -1.306 2.965 1.00 0.00 N ATOM 1274 CA LEU A 84 0.156 -2.636 2.364 1.00 0.00 C ATOM 1275 C LEU A 84 1.021 -2.703 1.126 1.00 0.00 C ATOM 1276 O LEU A 84 0.747 -2.070 0.125 1.00 0.00 O ATOM 1277 CB LEU A 84 -1.309 -2.849 2.002 1.00 0.00 C ATOM 1278 CG LEU A 84 -1.670 -4.345 2.076 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -0.651 -5.197 1.304 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -1.704 -4.825 3.537 1.00 0.00 C ATOM 0 H LEU A 84 -0.167 -0.543 2.534 1.00 0.00 H new ATOM 0 HA LEU A 84 0.433 -3.419 3.070 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.944 -2.281 2.682 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.500 -2.472 0.997 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.656 -4.463 1.626 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.930 -6.249 1.373 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.640 -4.892 0.258 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.341 -5.056 1.733 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.961 -5.884 3.566 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.725 -4.677 3.992 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.451 -4.255 4.090 1.00 0.00 H new ATOM 1292 N MET A 85 2.080 -3.442 1.190 1.00 0.00 N ATOM 1293 CA MET A 85 2.976 -3.519 0.022 1.00 0.00 C ATOM 1294 C MET A 85 2.441 -4.588 -0.954 1.00 0.00 C ATOM 1295 O MET A 85 2.461 -5.771 -0.658 1.00 0.00 O ATOM 1296 CB MET A 85 4.380 -3.893 0.508 1.00 0.00 C ATOM 1297 CG MET A 85 5.405 -2.894 -0.034 1.00 0.00 C ATOM 1298 SD MET A 85 7.018 -3.231 0.716 1.00 0.00 S ATOM 1299 CE MET A 85 8.024 -2.184 -0.364 1.00 0.00 C ATOM 0 H MET A 85 2.363 -3.995 1.999 1.00 0.00 H new ATOM 0 HA MET A 85 3.017 -2.560 -0.495 1.00 0.00 H new ATOM 0 HB2 MET A 85 4.407 -3.899 1.598 1.00 0.00 H new ATOM 0 HB3 MET A 85 4.632 -4.901 0.177 1.00 0.00 H new ATOM 0 HG2 MET A 85 5.471 -2.975 -1.119 1.00 0.00 H new ATOM 0 HG3 MET A 85 5.092 -1.875 0.191 1.00 0.00 H new ATOM 0 HE1 MET A 85 9.055 -2.538 -0.356 1.00 0.00 H new ATOM 0 HE2 MET A 85 7.633 -2.228 -1.380 1.00 0.00 H new ATOM 0 HE3 MET A 85 7.991 -1.155 -0.007 1.00 0.00 H new ATOM 1309 N VAL A 86 1.942 -4.195 -2.104 1.00 0.00 N ATOM 1310 CA VAL A 86 1.405 -5.205 -3.061 1.00 0.00 C ATOM 1311 C VAL A 86 2.446 -5.516 -4.132 1.00 0.00 C ATOM 1312 O VAL A 86 3.381 -4.771 -4.343 1.00 0.00 O ATOM 1313 CB VAL A 86 0.115 -4.687 -3.719 1.00 0.00 C ATOM 1314 CG1 VAL A 86 -0.585 -3.679 -2.810 1.00 0.00 C ATOM 1315 CG2 VAL A 86 0.415 -4.015 -5.058 1.00 0.00 C ATOM 0 H VAL A 86 1.885 -3.225 -2.416 1.00 0.00 H new ATOM 0 HA VAL A 86 1.176 -6.118 -2.511 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.535 -5.547 -3.884 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.495 -3.324 -3.293 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.839 -4.157 -1.864 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.079 -2.835 -2.623 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.514 -3.658 -5.502 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.089 -3.173 -4.900 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.885 -4.734 -5.729 1.00 0.00 H new ATOM 1325 N THR A 87 2.286 -6.620 -4.811 1.00 0.00 N ATOM 1326 CA THR A 87 3.268 -6.986 -5.873 1.00 0.00 C ATOM 1327 C THR A 87 2.562 -7.796 -6.965 1.00 0.00 C ATOM 1328 O THR A 87 1.364 -7.697 -7.146 1.00 0.00 O ATOM 1329 CB THR A 87 4.392 -7.822 -5.257 1.00 0.00 C ATOM 1330 OG1 THR A 87 5.386 -8.075 -6.239 1.00 0.00 O ATOM 1331 CG2 THR A 87 3.822 -9.146 -4.751 1.00 0.00 C ATOM 0 H THR A 87 1.521 -7.282 -4.677 1.00 0.00 H new ATOM 0 HA THR A 87 3.688 -6.080 -6.311 1.00 0.00 H new ATOM 0 HB THR A 87 4.837 -7.278 -4.424 1.00 0.00 H new ATOM 0 HG1 THR A 87 6.107 -8.609 -5.845 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.622 -9.742 -4.312 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.060 -8.950 -3.997 1.00 0.00 H new ATOM 0 HG23 THR A 87 3.377 -9.692 -5.583 1.00 0.00 H new ATOM 1339 N ALA A 88 3.292 -8.597 -7.692 1.00 0.00 N ATOM 1340 CA ALA A 88 2.658 -9.410 -8.768 1.00 0.00 C ATOM 1341 C ALA A 88 3.457 -10.698 -8.974 1.00 0.00 C ATOM 1342 O ALA A 88 3.546 -11.219 -10.068 1.00 0.00 O ATOM 1343 CB ALA A 88 2.637 -8.608 -10.071 1.00 0.00 C ATOM 0 H ALA A 88 4.299 -8.723 -7.588 1.00 0.00 H new ATOM 0 HA ALA A 88 1.637 -9.659 -8.479 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.173 -9.203 -10.857 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.065 -7.691 -9.925 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.658 -8.357 -10.360 1.00 0.00 H new ATOM 1349 N GLU A 89 4.039 -11.218 -7.927 1.00 0.00 N ATOM 1350 CA GLU A 89 4.832 -12.472 -8.057 1.00 0.00 C ATOM 1351 C GLU A 89 4.891 -13.177 -6.700 1.00 0.00 C ATOM 1352 O GLU A 89 4.441 -14.295 -6.549 1.00 0.00 O ATOM 1353 CB GLU A 89 6.252 -12.133 -8.519 1.00 0.00 C ATOM 1354 CG GLU A 89 6.625 -13.016 -9.712 1.00 0.00 C ATOM 1355 CD GLU A 89 6.536 -14.488 -9.305 1.00 0.00 C ATOM 1356 OE1 GLU A 89 7.284 -14.885 -8.426 1.00 0.00 O ATOM 1357 OE2 GLU A 89 5.722 -15.192 -9.879 1.00 0.00 O ATOM 0 H GLU A 89 3.999 -10.827 -6.986 1.00 0.00 H new ATOM 0 HA GLU A 89 4.360 -13.128 -8.789 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.314 -11.081 -8.798 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.958 -12.288 -7.703 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.955 -12.818 -10.548 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.634 -12.782 -10.050 1.00 0.00 H new ATOM 1364 N ALA A 90 5.439 -12.527 -5.709 1.00 0.00 N ATOM 1365 CA ALA A 90 5.523 -13.154 -4.359 1.00 0.00 C ATOM 1366 C ALA A 90 6.207 -14.517 -4.460 1.00 0.00 C ATOM 1367 O ALA A 90 5.586 -15.508 -4.793 1.00 0.00 O ATOM 1368 CB ALA A 90 4.116 -13.332 -3.790 1.00 0.00 C ATOM 0 H ALA A 90 5.832 -11.588 -5.776 1.00 0.00 H new ATOM 0 HA ALA A 90 6.105 -12.508 -3.701 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.178 -13.790 -2.803 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.631 -12.359 -3.709 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.534 -13.973 -4.452 1.00 0.00 H new ATOM 1374 N LYS A 91 7.480 -14.571 -4.162 1.00 0.00 N ATOM 1375 CA LYS A 91 8.222 -15.865 -4.225 1.00 0.00 C ATOM 1376 C LYS A 91 8.625 -16.277 -2.808 1.00 0.00 C ATOM 1377 O LYS A 91 9.783 -16.518 -2.529 1.00 0.00 O ATOM 1378 CB LYS A 91 9.478 -15.693 -5.082 1.00 0.00 C ATOM 1379 CG LYS A 91 9.924 -17.057 -5.613 1.00 0.00 C ATOM 1380 CD LYS A 91 11.169 -16.884 -6.485 1.00 0.00 C ATOM 1381 CE LYS A 91 11.371 -18.137 -7.340 1.00 0.00 C ATOM 1382 NZ LYS A 91 10.230 -18.283 -8.286 1.00 0.00 N ATOM 0 H LYS A 91 8.040 -13.768 -3.876 1.00 0.00 H new ATOM 0 HA LYS A 91 7.587 -16.633 -4.667 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.275 -15.016 -5.912 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.275 -15.242 -4.491 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.139 -17.729 -4.783 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.122 -17.513 -6.193 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.059 -16.008 -7.125 1.00 0.00 H new ATOM 0 HD3 LYS A 91 12.044 -16.713 -5.858 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.308 -18.066 -7.892 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.443 -19.018 -6.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 10.547 -18.789 -9.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 9.466 -18.821 -7.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 9.878 -17.342 -8.554 1.00 0.00 H new ATOM 1396 N LYS A 92 7.673 -16.356 -1.915 1.00 0.00 N ATOM 1397 CA LYS A 92 7.981 -16.750 -0.508 1.00 0.00 C ATOM 1398 C LYS A 92 9.073 -15.840 0.064 1.00 0.00 C ATOM 1399 O LYS A 92 8.794 -14.885 0.764 1.00 0.00 O ATOM 1400 CB LYS A 92 8.456 -18.206 -0.469 1.00 0.00 C ATOM 1401 CG LYS A 92 7.264 -19.140 -0.690 1.00 0.00 C ATOM 1402 CD LYS A 92 7.759 -20.583 -0.805 1.00 0.00 C ATOM 1403 CE LYS A 92 6.568 -21.517 -1.028 1.00 0.00 C ATOM 1404 NZ LYS A 92 6.910 -22.884 -0.541 1.00 0.00 N ATOM 0 H LYS A 92 6.689 -16.163 -2.101 1.00 0.00 H new ATOM 0 HA LYS A 92 7.078 -16.648 0.093 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.210 -18.374 -1.238 1.00 0.00 H new ATOM 0 HB3 LYS A 92 8.926 -18.420 0.491 1.00 0.00 H new ATOM 0 HG2 LYS A 92 6.561 -19.051 0.138 1.00 0.00 H new ATOM 0 HG3 LYS A 92 6.728 -18.855 -1.596 1.00 0.00 H new ATOM 0 HD2 LYS A 92 8.464 -20.672 -1.632 1.00 0.00 H new ATOM 0 HD3 LYS A 92 8.293 -20.868 0.101 1.00 0.00 H new ATOM 0 HE2 LYS A 92 5.692 -21.140 -0.500 1.00 0.00 H new ATOM 0 HE3 LYS A 92 6.312 -21.550 -2.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 6.101 -23.519 -0.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 7.734 -23.243 -1.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 7.134 -22.845 0.474 1.00 0.00 H new ATOM 1418 N GLU A 93 10.312 -16.135 -0.219 1.00 0.00 N ATOM 1419 CA GLU A 93 11.429 -15.303 0.311 1.00 0.00 C ATOM 1420 C GLU A 93 11.100 -13.812 0.174 1.00 0.00 C ATOM 1421 O GLU A 93 11.123 -13.073 1.138 1.00 0.00 O ATOM 1422 CB GLU A 93 12.707 -15.615 -0.470 1.00 0.00 C ATOM 1423 CG GLU A 93 12.926 -17.128 -0.508 1.00 0.00 C ATOM 1424 CD GLU A 93 14.352 -17.450 -0.054 1.00 0.00 C ATOM 1425 OE1 GLU A 93 15.272 -17.126 -0.787 1.00 0.00 O ATOM 1426 OE2 GLU A 93 14.497 -18.016 1.016 1.00 0.00 O ATOM 0 H GLU A 93 10.600 -16.923 -0.799 1.00 0.00 H new ATOM 0 HA GLU A 93 11.571 -15.535 1.366 1.00 0.00 H new ATOM 0 HB2 GLU A 93 12.631 -15.222 -1.484 1.00 0.00 H new ATOM 0 HB3 GLU A 93 13.561 -15.125 -0.002 1.00 0.00 H new ATOM 0 HG2 GLU A 93 12.205 -17.627 0.140 1.00 0.00 H new ATOM 0 HG3 GLU A 93 12.761 -17.505 -1.517 1.00 0.00 H new ATOM 1433 N ASN A 94 10.806 -13.358 -1.014 1.00 0.00 N ATOM 1434 CA ASN A 94 10.493 -11.911 -1.198 1.00 0.00 C ATOM 1435 C ASN A 94 9.353 -11.500 -0.264 1.00 0.00 C ATOM 1436 O ASN A 94 9.415 -10.479 0.390 1.00 0.00 O ATOM 1437 CB ASN A 94 10.092 -11.647 -2.652 1.00 0.00 C ATOM 1438 CG ASN A 94 8.870 -10.728 -2.694 1.00 0.00 C ATOM 1439 OD1 ASN A 94 8.899 -9.590 -2.058 1.00 0.00 O flip ATOM 1440 ND2 ASN A 94 7.878 -11.047 -3.318 1.00 0.00 N flip ATOM 0 H ASN A 94 10.769 -13.923 -1.862 1.00 0.00 H new ATOM 0 HA ASN A 94 11.379 -11.323 -0.958 1.00 0.00 H new ATOM 0 HB2 ASN A 94 10.922 -11.189 -3.190 1.00 0.00 H new ATOM 0 HB3 ASN A 94 9.868 -12.588 -3.154 1.00 0.00 H new ATOM 0 HD21 ASN A 94 7.853 -11.937 -3.816 1.00 0.00 H new ATOM 0 HD22 ASN A 94 7.070 -10.425 -3.344 1.00 0.00 H new ATOM 1447 N ILE A 95 8.313 -12.281 -0.194 1.00 0.00 N ATOM 1448 CA ILE A 95 7.179 -11.919 0.704 1.00 0.00 C ATOM 1449 C ILE A 95 7.732 -11.562 2.084 1.00 0.00 C ATOM 1450 O ILE A 95 7.242 -10.669 2.746 1.00 0.00 O ATOM 1451 CB ILE A 95 6.209 -13.101 0.815 1.00 0.00 C ATOM 1452 CG1 ILE A 95 5.800 -13.538 -0.593 1.00 0.00 C ATOM 1453 CG2 ILE A 95 4.958 -12.679 1.597 1.00 0.00 C ATOM 1454 CD1 ILE A 95 4.603 -14.487 -0.514 1.00 0.00 C ATOM 0 H ILE A 95 8.198 -13.150 -0.716 1.00 0.00 H new ATOM 0 HA ILE A 95 6.642 -11.063 0.295 1.00 0.00 H new ATOM 0 HB ILE A 95 6.696 -13.924 1.338 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.545 -12.666 -1.195 1.00 0.00 H new ATOM 0 HG13 ILE A 95 6.636 -14.033 -1.087 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.273 -13.524 1.672 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.246 -12.356 2.597 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.465 -11.857 1.078 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.316 -14.795 -1.519 1.00 0.00 H new ATOM 0 HD12 ILE A 95 4.873 -15.366 0.071 1.00 0.00 H new ATOM 0 HD13 ILE A 95 3.765 -13.977 -0.038 1.00 0.00 H new ATOM 1466 N ILE A 96 8.752 -12.246 2.520 1.00 0.00 N ATOM 1467 CA ILE A 96 9.336 -11.933 3.852 1.00 0.00 C ATOM 1468 C ILE A 96 10.139 -10.637 3.752 1.00 0.00 C ATOM 1469 O ILE A 96 10.322 -9.934 4.724 1.00 0.00 O ATOM 1470 CB ILE A 96 10.255 -13.075 4.293 1.00 0.00 C ATOM 1471 CG1 ILE A 96 9.415 -14.192 4.918 1.00 0.00 C ATOM 1472 CG2 ILE A 96 11.259 -12.556 5.324 1.00 0.00 C ATOM 1473 CD1 ILE A 96 10.271 -15.452 5.066 1.00 0.00 C ATOM 0 H ILE A 96 9.205 -13.006 2.013 1.00 0.00 H new ATOM 0 HA ILE A 96 8.537 -11.815 4.584 1.00 0.00 H new ATOM 0 HB ILE A 96 10.792 -13.463 3.427 1.00 0.00 H new ATOM 0 HG12 ILE A 96 9.040 -13.878 5.892 1.00 0.00 H new ATOM 0 HG13 ILE A 96 8.546 -14.401 4.294 1.00 0.00 H new ATOM 0 HG21 ILE A 96 11.913 -13.370 5.637 1.00 0.00 H new ATOM 0 HG22 ILE A 96 11.857 -11.760 4.881 1.00 0.00 H new ATOM 0 HG23 ILE A 96 10.723 -12.167 6.190 1.00 0.00 H new ATOM 0 HD11 ILE A 96 9.673 -16.248 5.511 1.00 0.00 H new ATOM 0 HD12 ILE A 96 10.624 -15.769 4.085 1.00 0.00 H new ATOM 0 HD13 ILE A 96 11.126 -15.238 5.708 1.00 0.00 H new ATOM 1485 N ALA A 97 10.621 -10.316 2.581 1.00 0.00 N ATOM 1486 CA ALA A 97 11.411 -9.064 2.420 1.00 0.00 C ATOM 1487 C ALA A 97 10.581 -7.871 2.896 1.00 0.00 C ATOM 1488 O ALA A 97 11.009 -7.105 3.735 1.00 0.00 O ATOM 1489 CB ALA A 97 11.798 -8.887 0.950 1.00 0.00 C ATOM 0 H ALA A 97 10.501 -10.867 1.731 1.00 0.00 H new ATOM 0 HA ALA A 97 12.319 -9.125 3.019 1.00 0.00 H new ATOM 0 HB1 ALA A 97 12.376 -7.970 0.834 1.00 0.00 H new ATOM 0 HB2 ALA A 97 12.398 -9.738 0.627 1.00 0.00 H new ATOM 0 HB3 ALA A 97 10.896 -8.827 0.341 1.00 0.00 H new ATOM 1495 N ALA A 98 9.391 -7.712 2.389 1.00 0.00 N ATOM 1496 CA ALA A 98 8.547 -6.571 2.851 1.00 0.00 C ATOM 1497 C ALA A 98 8.357 -6.691 4.347 1.00 0.00 C ATOM 1498 O ALA A 98 8.700 -5.809 5.109 1.00 0.00 O ATOM 1499 CB ALA A 98 7.165 -6.620 2.202 1.00 0.00 C ATOM 0 H ALA A 98 8.968 -8.314 1.683 1.00 0.00 H new ATOM 0 HA ALA A 98 9.042 -5.638 2.580 1.00 0.00 H new ATOM 0 HB1 ALA A 98 6.568 -5.779 2.554 1.00 0.00 H new ATOM 0 HB2 ALA A 98 7.270 -6.563 1.119 1.00 0.00 H new ATOM 0 HB3 ALA A 98 6.670 -7.553 2.470 1.00 0.00 H new ATOM 1505 N ALA A 99 7.789 -7.780 4.772 1.00 0.00 N ATOM 1506 CA ALA A 99 7.550 -7.962 6.212 1.00 0.00 C ATOM 1507 C ALA A 99 8.876 -7.846 6.967 1.00 0.00 C ATOM 1508 O ALA A 99 8.898 -7.559 8.147 1.00 0.00 O ATOM 1509 CB ALA A 99 6.939 -9.338 6.463 1.00 0.00 C ATOM 0 H ALA A 99 7.482 -8.550 4.177 1.00 0.00 H new ATOM 0 HA ALA A 99 6.862 -7.193 6.564 1.00 0.00 H new ATOM 0 HB1 ALA A 99 6.764 -9.469 7.531 1.00 0.00 H new ATOM 0 HB2 ALA A 99 5.993 -9.419 5.927 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.623 -10.110 6.111 1.00 0.00 H new ATOM 1515 N GLN A 100 9.989 -8.053 6.302 1.00 0.00 N ATOM 1516 CA GLN A 100 11.291 -7.918 7.014 1.00 0.00 C ATOM 1517 C GLN A 100 11.268 -6.558 7.688 1.00 0.00 C ATOM 1518 O GLN A 100 11.787 -6.362 8.768 1.00 0.00 O ATOM 1519 CB GLN A 100 12.455 -7.987 6.025 1.00 0.00 C ATOM 1520 CG GLN A 100 13.753 -8.270 6.783 1.00 0.00 C ATOM 1521 CD GLN A 100 14.940 -8.129 5.831 1.00 0.00 C ATOM 1522 OE1 GLN A 100 15.881 -7.414 6.114 1.00 0.00 O ATOM 1523 NE2 GLN A 100 14.938 -8.787 4.703 1.00 0.00 N ATOM 0 H GLN A 100 10.049 -8.305 5.315 1.00 0.00 H new ATOM 0 HA GLN A 100 11.426 -8.724 7.735 1.00 0.00 H new ATOM 0 HB2 GLN A 100 12.274 -8.769 5.288 1.00 0.00 H new ATOM 0 HB3 GLN A 100 12.538 -7.047 5.479 1.00 0.00 H new ATOM 0 HG2 GLN A 100 13.858 -7.577 7.617 1.00 0.00 H new ATOM 0 HG3 GLN A 100 13.729 -9.275 7.205 1.00 0.00 H new ATOM 0 HE21 GLN A 100 14.149 -9.387 4.464 1.00 0.00 H new ATOM 0 HE22 GLN A 100 15.726 -8.700 4.061 1.00 0.00 H new ATOM 1532 N ALA A 101 10.604 -5.630 7.059 1.00 0.00 N ATOM 1533 CA ALA A 101 10.458 -4.278 7.650 1.00 0.00 C ATOM 1534 C ALA A 101 9.183 -4.323 8.487 1.00 0.00 C ATOM 1535 O ALA A 101 9.004 -3.581 9.433 1.00 0.00 O ATOM 1536 CB ALA A 101 10.341 -3.234 6.538 1.00 0.00 C ATOM 0 H ALA A 101 10.153 -5.755 6.153 1.00 0.00 H new ATOM 0 HA ALA A 101 11.319 -4.004 8.260 1.00 0.00 H new ATOM 0 HB1 ALA A 101 10.234 -2.243 6.979 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.237 -3.260 5.918 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.468 -3.454 5.923 1.00 0.00 H new ATOM 1542 N GLY A 102 8.322 -5.250 8.153 1.00 0.00 N ATOM 1543 CA GLY A 102 7.068 -5.451 8.917 1.00 0.00 C ATOM 1544 C GLY A 102 6.091 -4.308 8.725 1.00 0.00 C ATOM 1545 O GLY A 102 5.873 -3.531 9.635 1.00 0.00 O ATOM 0 H GLY A 102 8.444 -5.886 7.365 1.00 0.00 H new ATOM 0 HA2 GLY A 102 6.599 -6.384 8.604 1.00 0.00 H new ATOM 0 HA3 GLY A 102 7.302 -5.552 9.977 1.00 0.00 H new ATOM 1549 N ALA A 103 5.465 -4.179 7.580 1.00 0.00 N ATOM 1550 CA ALA A 103 4.503 -3.054 7.473 1.00 0.00 C ATOM 1551 C ALA A 103 3.117 -3.505 7.909 1.00 0.00 C ATOM 1552 O ALA A 103 2.880 -3.883 9.039 1.00 0.00 O ATOM 1553 CB ALA A 103 4.392 -2.704 5.996 1.00 0.00 C ATOM 0 H ALA A 103 5.573 -4.773 6.758 1.00 0.00 H new ATOM 0 HA ALA A 103 4.842 -2.222 8.090 1.00 0.00 H new ATOM 0 HB1 ALA A 103 3.692 -1.878 5.869 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.371 -2.411 5.617 1.00 0.00 H new ATOM 0 HB3 ALA A 103 4.033 -3.572 5.442 1.00 0.00 H new ATOM 1559 N SER A 104 2.236 -3.549 6.964 1.00 0.00 N ATOM 1560 CA SER A 104 0.864 -4.068 7.203 1.00 0.00 C ATOM 1561 C SER A 104 0.872 -5.549 6.880 1.00 0.00 C ATOM 1562 O SER A 104 0.445 -6.403 7.633 1.00 0.00 O ATOM 1563 CB SER A 104 -0.139 -3.348 6.310 1.00 0.00 C ATOM 1564 OG SER A 104 -0.020 -1.948 6.509 1.00 0.00 O ATOM 0 H SER A 104 2.410 -3.239 6.008 1.00 0.00 H new ATOM 0 HA SER A 104 0.572 -3.900 8.240 1.00 0.00 H new ATOM 0 HB2 SER A 104 0.044 -3.596 5.264 1.00 0.00 H new ATOM 0 HB3 SER A 104 -1.152 -3.676 6.543 1.00 0.00 H new ATOM 0 HG SER A 104 0.688 -1.770 7.163 1.00 0.00 H new ATOM 1570 N GLY A 105 1.351 -5.813 5.695 1.00 0.00 N ATOM 1571 CA GLY A 105 1.421 -7.192 5.147 1.00 0.00 C ATOM 1572 C GLY A 105 1.657 -7.082 3.638 1.00 0.00 C ATOM 1573 O GLY A 105 2.097 -6.053 3.151 1.00 0.00 O ATOM 0 H GLY A 105 1.710 -5.098 5.062 1.00 0.00 H new ATOM 0 HA2 GLY A 105 2.228 -7.751 5.621 1.00 0.00 H new ATOM 0 HA3 GLY A 105 0.496 -7.732 5.351 1.00 0.00 H new ATOM 1577 N TYR A 106 1.365 -8.118 2.893 1.00 0.00 N ATOM 1578 CA TYR A 106 1.570 -8.054 1.414 1.00 0.00 C ATOM 1579 C TYR A 106 0.360 -8.637 0.699 1.00 0.00 C ATOM 1580 O TYR A 106 -0.273 -9.558 1.176 1.00 0.00 O ATOM 1581 CB TYR A 106 2.816 -8.854 1.019 1.00 0.00 C ATOM 1582 CG TYR A 106 2.429 -9.980 0.080 1.00 0.00 C ATOM 1583 CD1 TYR A 106 1.848 -11.148 0.594 1.00 0.00 C ATOM 1584 CD2 TYR A 106 2.660 -9.868 -1.301 1.00 0.00 C ATOM 1585 CE1 TYR A 106 1.500 -12.197 -0.263 1.00 0.00 C ATOM 1586 CE2 TYR A 106 2.306 -10.919 -2.153 1.00 0.00 C ATOM 1587 CZ TYR A 106 1.730 -12.084 -1.636 1.00 0.00 C ATOM 1588 OH TYR A 106 1.390 -13.123 -2.478 1.00 0.00 O ATOM 0 H TYR A 106 0.995 -9.002 3.243 1.00 0.00 H new ATOM 0 HA TYR A 106 1.701 -7.011 1.126 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.542 -8.199 0.536 1.00 0.00 H new ATOM 0 HB3 TYR A 106 3.296 -9.260 1.910 1.00 0.00 H new ATOM 0 HD1 TYR A 106 1.669 -11.238 1.655 1.00 0.00 H new ATOM 0 HD2 TYR A 106 3.110 -8.973 -1.704 1.00 0.00 H new ATOM 0 HE1 TYR A 106 1.053 -13.095 0.137 1.00 0.00 H new ATOM 0 HE2 TYR A 106 2.478 -10.831 -3.216 1.00 0.00 H new ATOM 0 HH TYR A 106 0.797 -13.745 -2.007 1.00 0.00 H new ATOM 1598 N VAL A 107 0.045 -8.109 -0.453 1.00 0.00 N ATOM 1599 CA VAL A 107 -1.122 -8.636 -1.225 1.00 0.00 C ATOM 1600 C VAL A 107 -0.737 -8.745 -2.700 1.00 0.00 C ATOM 1601 O VAL A 107 -0.233 -7.813 -3.291 1.00 0.00 O ATOM 1602 CB VAL A 107 -2.325 -7.700 -1.069 1.00 0.00 C ATOM 1603 CG1 VAL A 107 -1.952 -6.291 -1.529 1.00 0.00 C ATOM 1604 CG2 VAL A 107 -3.482 -8.220 -1.924 1.00 0.00 C ATOM 0 H VAL A 107 0.543 -7.336 -0.894 1.00 0.00 H new ATOM 0 HA VAL A 107 -1.395 -9.620 -0.842 1.00 0.00 H new ATOM 0 HB VAL A 107 -2.622 -7.668 -0.021 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.812 -5.631 -1.415 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.126 -5.918 -0.924 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.652 -6.318 -2.576 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.341 -7.557 -1.816 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.176 -8.251 -2.970 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -3.755 -9.223 -1.596 1.00 0.00 H new ATOM 1614 N VAL A 108 -0.957 -9.883 -3.295 1.00 0.00 N ATOM 1615 CA VAL A 108 -0.584 -10.052 -4.728 1.00 0.00 C ATOM 1616 C VAL A 108 -1.506 -9.204 -5.610 1.00 0.00 C ATOM 1617 O VAL A 108 -2.655 -8.990 -5.282 1.00 0.00 O ATOM 1618 CB VAL A 108 -0.740 -11.522 -5.139 1.00 0.00 C ATOM 1619 CG1 VAL A 108 0.621 -12.115 -5.503 1.00 0.00 C ATOM 1620 CG2 VAL A 108 -1.352 -12.317 -3.983 1.00 0.00 C ATOM 0 H VAL A 108 -1.377 -10.701 -2.854 1.00 0.00 H new ATOM 0 HA VAL A 108 0.451 -9.736 -4.856 1.00 0.00 H new ATOM 0 HB VAL A 108 -1.396 -11.578 -6.008 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.497 -13.158 -5.793 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.051 -11.556 -6.334 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.286 -12.054 -4.642 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -1.462 -13.361 -4.277 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.700 -12.252 -3.112 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.330 -11.905 -3.736 1.00 0.00 H new ATOM 1630 N LYS A 109 -1.015 -8.743 -6.736 1.00 0.00 N ATOM 1631 CA LYS A 109 -1.857 -7.923 -7.664 1.00 0.00 C ATOM 1632 C LYS A 109 -1.740 -8.519 -9.079 1.00 0.00 C ATOM 1633 O LYS A 109 -0.787 -9.222 -9.354 1.00 0.00 O ATOM 1634 CB LYS A 109 -1.353 -6.466 -7.639 1.00 0.00 C ATOM 1635 CG LYS A 109 -0.647 -6.087 -8.955 1.00 0.00 C ATOM 1636 CD LYS A 109 -0.103 -4.660 -8.842 1.00 0.00 C ATOM 1637 CE LYS A 109 1.411 -4.659 -9.059 1.00 0.00 C ATOM 1638 NZ LYS A 109 2.075 -5.343 -7.915 1.00 0.00 N ATOM 0 H LYS A 109 -0.059 -8.901 -7.054 1.00 0.00 H new ATOM 0 HA LYS A 109 -2.903 -7.934 -7.357 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.193 -5.793 -7.469 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -0.664 -6.333 -6.805 1.00 0.00 H new ATOM 0 HG2 LYS A 109 0.166 -6.784 -9.159 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -1.345 -6.158 -9.789 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -0.585 -4.019 -9.580 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -0.338 -4.249 -7.860 1.00 0.00 H new ATOM 0 HE2 LYS A 109 1.656 -5.166 -9.992 1.00 0.00 H new ATOM 0 HE3 LYS A 109 1.776 -3.636 -9.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 2.878 -5.904 -8.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 2.418 -4.633 -7.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 1.393 -5.971 -7.443 1.00 0.00 H new ATOM 1652 N PRO A 110 -2.674 -8.208 -9.962 1.00 0.00 N ATOM 1653 CA PRO A 110 -3.857 -7.355 -9.680 1.00 0.00 C ATOM 1654 C PRO A 110 -4.869 -8.109 -8.813 1.00 0.00 C ATOM 1655 O PRO A 110 -5.320 -9.183 -9.160 1.00 0.00 O ATOM 1656 CB PRO A 110 -4.481 -7.090 -11.057 1.00 0.00 C ATOM 1657 CG PRO A 110 -3.632 -7.843 -12.112 1.00 0.00 C ATOM 1658 CD PRO A 110 -2.581 -8.670 -11.357 1.00 0.00 C ATOM 0 HA PRO A 110 -3.581 -6.444 -9.149 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -5.515 -7.435 -11.081 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.496 -6.021 -11.271 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -4.263 -8.490 -12.721 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -3.150 -7.138 -12.790 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -2.786 -9.738 -11.435 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -1.582 -8.507 -11.763 1.00 0.00 H new ATOM 1666 N PHE A 111 -5.228 -7.555 -7.690 1.00 0.00 N ATOM 1667 CA PHE A 111 -6.207 -8.243 -6.806 1.00 0.00 C ATOM 1668 C PHE A 111 -7.611 -7.757 -7.111 1.00 0.00 C ATOM 1669 O PHE A 111 -7.821 -6.656 -7.582 1.00 0.00 O ATOM 1670 CB PHE A 111 -5.915 -7.919 -5.341 1.00 0.00 C ATOM 1671 CG PHE A 111 -5.553 -6.460 -5.222 1.00 0.00 C ATOM 1672 CD1 PHE A 111 -6.549 -5.478 -5.309 1.00 0.00 C ATOM 1673 CD2 PHE A 111 -4.219 -6.086 -5.060 1.00 0.00 C ATOM 1674 CE1 PHE A 111 -6.200 -4.126 -5.236 1.00 0.00 C ATOM 1675 CE2 PHE A 111 -3.871 -4.735 -4.980 1.00 0.00 C ATOM 1676 CZ PHE A 111 -4.861 -3.754 -5.071 1.00 0.00 C ATOM 0 H PHE A 111 -4.887 -6.657 -7.347 1.00 0.00 H new ATOM 0 HA PHE A 111 -6.124 -9.316 -6.982 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -6.787 -8.142 -4.726 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -5.098 -8.540 -4.974 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -7.583 -5.765 -5.432 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -3.452 -6.844 -4.996 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -6.965 -3.367 -5.307 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -2.838 -4.450 -4.848 1.00 0.00 H new ATOM 0 HZ PHE A 111 -4.593 -2.709 -5.014 1.00 0.00 H new ATOM 1686 N THR A 112 -8.573 -8.558 -6.791 1.00 0.00 N ATOM 1687 CA THR A 112 -9.980 -8.144 -6.994 1.00 0.00 C ATOM 1688 C THR A 112 -10.421 -7.459 -5.704 1.00 0.00 C ATOM 1689 O THR A 112 -9.924 -7.769 -4.641 1.00 0.00 O ATOM 1690 CB THR A 112 -10.853 -9.373 -7.260 1.00 0.00 C ATOM 1691 OG1 THR A 112 -10.057 -10.404 -7.827 1.00 0.00 O ATOM 1692 CG2 THR A 112 -11.977 -9.003 -8.230 1.00 0.00 C ATOM 0 H THR A 112 -8.447 -9.489 -6.394 1.00 0.00 H new ATOM 0 HA THR A 112 -10.076 -7.475 -7.849 1.00 0.00 H new ATOM 0 HB THR A 112 -11.285 -9.721 -6.322 1.00 0.00 H new ATOM 0 HG1 THR A 112 -10.614 -11.192 -7.996 1.00 0.00 H new ATOM 0 HG21 THR A 112 -12.598 -9.879 -8.419 1.00 0.00 H new ATOM 0 HG22 THR A 112 -12.588 -8.212 -7.795 1.00 0.00 H new ATOM 0 HG23 THR A 112 -11.547 -8.654 -9.169 1.00 0.00 H new ATOM 1700 N ALA A 113 -11.319 -6.522 -5.771 1.00 0.00 N ATOM 1701 CA ALA A 113 -11.742 -5.834 -4.521 1.00 0.00 C ATOM 1702 C ALA A 113 -12.028 -6.872 -3.442 1.00 0.00 C ATOM 1703 O ALA A 113 -11.810 -6.635 -2.274 1.00 0.00 O ATOM 1704 CB ALA A 113 -13.000 -5.004 -4.785 1.00 0.00 C ATOM 0 H ALA A 113 -11.775 -6.204 -6.626 1.00 0.00 H new ATOM 0 HA ALA A 113 -10.943 -5.173 -4.186 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -13.305 -4.503 -3.866 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -12.790 -4.259 -5.552 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -13.803 -5.658 -5.125 1.00 0.00 H new ATOM 1710 N ALA A 114 -12.497 -8.027 -3.818 1.00 0.00 N ATOM 1711 CA ALA A 114 -12.773 -9.069 -2.796 1.00 0.00 C ATOM 1712 C ALA A 114 -11.457 -9.506 -2.161 1.00 0.00 C ATOM 1713 O ALA A 114 -11.392 -9.788 -0.983 1.00 0.00 O ATOM 1714 CB ALA A 114 -13.462 -10.269 -3.449 1.00 0.00 C ATOM 0 H ALA A 114 -12.700 -8.293 -4.782 1.00 0.00 H new ATOM 0 HA ALA A 114 -13.431 -8.663 -2.028 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -13.661 -11.029 -2.694 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -14.402 -9.949 -3.899 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -12.814 -10.685 -4.221 1.00 0.00 H new ATOM 1720 N THR A 115 -10.399 -9.551 -2.924 1.00 0.00 N ATOM 1721 CA THR A 115 -9.097 -9.953 -2.334 1.00 0.00 C ATOM 1722 C THR A 115 -8.604 -8.823 -1.431 1.00 0.00 C ATOM 1723 O THR A 115 -8.510 -8.989 -0.231 1.00 0.00 O ATOM 1724 CB THR A 115 -8.075 -10.229 -3.435 1.00 0.00 C ATOM 1725 OG1 THR A 115 -8.543 -9.679 -4.653 1.00 0.00 O ATOM 1726 CG2 THR A 115 -7.888 -11.738 -3.593 1.00 0.00 C ATOM 0 H THR A 115 -10.382 -9.329 -3.919 1.00 0.00 H new ATOM 0 HA THR A 115 -9.224 -10.867 -1.753 1.00 0.00 H new ATOM 0 HB THR A 115 -7.120 -9.774 -3.171 1.00 0.00 H new ATOM 0 HG1 THR A 115 -8.773 -8.736 -4.519 1.00 0.00 H new ATOM 0 HG21 THR A 115 -7.159 -11.934 -4.379 1.00 0.00 H new ATOM 0 HG22 THR A 115 -7.532 -12.161 -2.654 1.00 0.00 H new ATOM 0 HG23 THR A 115 -8.840 -12.197 -3.859 1.00 0.00 H new ATOM 1734 N LEU A 116 -8.296 -7.665 -1.971 1.00 0.00 N ATOM 1735 CA LEU A 116 -7.833 -6.573 -1.077 1.00 0.00 C ATOM 1736 C LEU A 116 -8.843 -6.383 0.061 1.00 0.00 C ATOM 1737 O LEU A 116 -8.473 -6.075 1.176 1.00 0.00 O ATOM 1738 CB LEU A 116 -7.695 -5.267 -1.861 1.00 0.00 C ATOM 1739 CG LEU A 116 -6.389 -4.568 -1.457 1.00 0.00 C ATOM 1740 CD1 LEU A 116 -5.180 -5.373 -1.944 1.00 0.00 C ATOM 1741 CD2 LEU A 116 -6.345 -3.170 -2.076 1.00 0.00 C ATOM 0 H LEU A 116 -8.345 -7.440 -2.965 1.00 0.00 H new ATOM 0 HA LEU A 116 -6.860 -6.841 -0.665 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -7.696 -5.471 -2.932 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -8.546 -4.617 -1.659 1.00 0.00 H new ATOM 0 HG LEU A 116 -6.353 -4.494 -0.370 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.262 -4.864 -1.650 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.202 -6.368 -1.499 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -5.214 -5.460 -3.030 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -5.418 -2.674 -1.789 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -6.392 -3.251 -3.162 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -7.194 -2.587 -1.719 1.00 0.00 H new ATOM 1753 N GLU A 117 -10.118 -6.562 -0.199 1.00 0.00 N ATOM 1754 CA GLU A 117 -11.120 -6.384 0.885 1.00 0.00 C ATOM 1755 C GLU A 117 -10.974 -7.507 1.911 1.00 0.00 C ATOM 1756 O GLU A 117 -10.659 -7.275 3.062 1.00 0.00 O ATOM 1757 CB GLU A 117 -12.536 -6.414 0.304 1.00 0.00 C ATOM 1758 CG GLU A 117 -13.554 -6.309 1.440 1.00 0.00 C ATOM 1759 CD GLU A 117 -13.929 -7.711 1.920 1.00 0.00 C ATOM 1760 OE1 GLU A 117 -14.420 -8.481 1.112 1.00 0.00 O ATOM 1761 OE2 GLU A 117 -13.718 -7.992 3.089 1.00 0.00 O ATOM 0 H GLU A 117 -10.499 -6.821 -1.109 1.00 0.00 H new ATOM 0 HA GLU A 117 -10.949 -5.421 1.366 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -12.671 -5.590 -0.397 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -12.692 -7.337 -0.255 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -13.137 -5.730 2.264 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -14.444 -5.780 1.098 1.00 0.00 H new ATOM 1768 N GLU A 118 -11.205 -8.721 1.497 1.00 0.00 N ATOM 1769 CA GLU A 118 -11.086 -9.873 2.436 1.00 0.00 C ATOM 1770 C GLU A 118 -9.799 -9.734 3.252 1.00 0.00 C ATOM 1771 O GLU A 118 -9.779 -9.976 4.442 1.00 0.00 O ATOM 1772 CB GLU A 118 -11.047 -11.177 1.636 1.00 0.00 C ATOM 1773 CG GLU A 118 -10.920 -12.363 2.596 1.00 0.00 C ATOM 1774 CD GLU A 118 -12.018 -13.384 2.294 1.00 0.00 C ATOM 1775 OE1 GLU A 118 -11.802 -14.216 1.426 1.00 0.00 O ATOM 1776 OE2 GLU A 118 -13.054 -13.317 2.933 1.00 0.00 O ATOM 0 H GLU A 118 -11.473 -8.967 0.544 1.00 0.00 H new ATOM 0 HA GLU A 118 -11.942 -9.885 3.110 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -11.953 -11.276 1.037 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -10.206 -11.165 0.943 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -9.939 -12.826 2.491 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -11.001 -12.020 3.627 1.00 0.00 H new ATOM 1783 N LYS A 119 -8.727 -9.344 2.620 1.00 0.00 N ATOM 1784 CA LYS A 119 -7.445 -9.186 3.362 1.00 0.00 C ATOM 1785 C LYS A 119 -7.538 -7.960 4.273 1.00 0.00 C ATOM 1786 O LYS A 119 -6.893 -7.886 5.299 1.00 0.00 O ATOM 1787 CB LYS A 119 -6.298 -8.997 2.365 1.00 0.00 C ATOM 1788 CG LYS A 119 -5.447 -10.267 2.318 1.00 0.00 C ATOM 1789 CD LYS A 119 -4.508 -10.208 1.112 1.00 0.00 C ATOM 1790 CE LYS A 119 -5.121 -10.987 -0.053 1.00 0.00 C ATOM 1791 NZ LYS A 119 -4.916 -12.447 0.164 1.00 0.00 N ATOM 0 H LYS A 119 -8.683 -9.128 1.624 1.00 0.00 H new ATOM 0 HA LYS A 119 -7.258 -10.075 3.964 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.696 -8.777 1.374 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.684 -8.146 2.658 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -4.870 -10.365 3.237 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -6.089 -11.145 2.250 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.338 -9.171 0.821 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -3.537 -10.629 1.373 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -6.185 -10.766 -0.132 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -4.661 -10.680 -0.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -5.161 -12.965 -0.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -3.920 -12.626 0.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -5.524 -12.771 0.943 1.00 0.00 H new ATOM 1805 N LEU A 120 -8.339 -6.997 3.904 1.00 0.00 N ATOM 1806 CA LEU A 120 -8.475 -5.776 4.747 1.00 0.00 C ATOM 1807 C LEU A 120 -9.032 -6.164 6.119 1.00 0.00 C ATOM 1808 O LEU A 120 -8.392 -5.975 7.132 1.00 0.00 O ATOM 1809 CB LEU A 120 -9.433 -4.791 4.072 1.00 0.00 C ATOM 1810 CG LEU A 120 -9.066 -3.362 4.476 1.00 0.00 C ATOM 1811 CD1 LEU A 120 -8.024 -2.806 3.504 1.00 0.00 C ATOM 1812 CD2 LEU A 120 -10.320 -2.485 4.434 1.00 0.00 C ATOM 0 H LEU A 120 -8.905 -7.004 3.055 1.00 0.00 H new ATOM 0 HA LEU A 120 -7.498 -5.309 4.867 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -9.378 -4.899 2.989 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -10.460 -5.010 4.363 1.00 0.00 H new ATOM 0 HG LEU A 120 -8.655 -3.364 5.485 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -7.764 -1.788 3.793 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -7.131 -3.431 3.531 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -8.434 -2.803 2.494 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -10.061 -1.466 4.722 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -10.730 -2.484 3.424 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -11.063 -2.880 5.127 1.00 0.00 H new ATOM 1824 N ASN A 121 -10.220 -6.701 6.158 1.00 0.00 N ATOM 1825 CA ASN A 121 -10.818 -7.095 7.464 1.00 0.00 C ATOM 1826 C ASN A 121 -9.791 -7.879 8.282 1.00 0.00 C ATOM 1827 O ASN A 121 -9.728 -7.768 9.490 1.00 0.00 O ATOM 1828 CB ASN A 121 -12.051 -7.967 7.217 1.00 0.00 C ATOM 1829 CG ASN A 121 -13.314 -7.117 7.367 1.00 0.00 C ATOM 1830 OD1 ASN A 121 -14.224 -7.481 8.084 1.00 0.00 O ATOM 1831 ND2 ASN A 121 -13.407 -5.989 6.715 1.00 0.00 N ATOM 0 H ASN A 121 -10.803 -6.884 5.341 1.00 0.00 H new ATOM 0 HA ASN A 121 -11.110 -6.201 8.014 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -12.008 -8.401 6.218 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -12.071 -8.796 7.925 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -14.244 -5.414 6.808 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -12.643 -5.683 6.113 1.00 0.00 H new ATOM 1838 N LYS A 122 -8.982 -8.669 7.632 1.00 0.00 N ATOM 1839 CA LYS A 122 -7.956 -9.456 8.372 1.00 0.00 C ATOM 1840 C LYS A 122 -6.821 -8.525 8.799 1.00 0.00 C ATOM 1841 O LYS A 122 -6.174 -8.737 9.805 1.00 0.00 O ATOM 1842 CB LYS A 122 -7.397 -10.552 7.464 1.00 0.00 C ATOM 1843 CG LYS A 122 -7.171 -11.825 8.281 1.00 0.00 C ATOM 1844 CD LYS A 122 -6.235 -12.763 7.517 1.00 0.00 C ATOM 1845 CE LYS A 122 -6.811 -13.039 6.127 1.00 0.00 C ATOM 1846 NZ LYS A 122 -8.274 -13.297 6.238 1.00 0.00 N ATOM 0 H LYS A 122 -8.987 -8.804 6.621 1.00 0.00 H new ATOM 0 HA LYS A 122 -8.411 -9.912 9.252 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -8.090 -10.750 6.646 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -6.459 -10.224 7.015 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -6.741 -11.576 9.251 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -8.123 -12.321 8.472 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -5.245 -12.314 7.430 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -6.114 -13.698 8.064 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -6.630 -12.188 5.471 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -6.312 -13.898 5.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -8.574 -13.933 5.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -8.480 -13.741 7.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -8.792 -12.398 6.164 1.00 0.00 H new ATOM 1860 N ILE A 123 -6.576 -7.495 8.039 1.00 0.00 N ATOM 1861 CA ILE A 123 -5.485 -6.546 8.392 1.00 0.00 C ATOM 1862 C ILE A 123 -5.954 -5.629 9.523 1.00 0.00 C ATOM 1863 O ILE A 123 -5.205 -5.304 10.422 1.00 0.00 O ATOM 1864 CB ILE A 123 -5.139 -5.690 7.171 1.00 0.00 C ATOM 1865 CG1 ILE A 123 -4.403 -6.547 6.130 1.00 0.00 C ATOM 1866 CG2 ILE A 123 -4.260 -4.510 7.603 1.00 0.00 C ATOM 1867 CD1 ILE A 123 -2.890 -6.489 6.366 1.00 0.00 C ATOM 0 H ILE A 123 -7.087 -7.269 7.185 1.00 0.00 H new ATOM 0 HA ILE A 123 -4.607 -7.108 8.711 1.00 0.00 H new ATOM 0 HB ILE A 123 -6.056 -5.304 6.725 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -4.748 -7.579 6.190 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -4.635 -6.191 5.126 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -4.014 -3.901 6.733 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.798 -3.902 8.330 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -3.342 -4.886 8.053 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -2.382 -7.101 5.621 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -2.548 -5.457 6.283 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -2.662 -6.867 7.363 1.00 0.00 H new ATOM 1879 N PHE A 124 -7.184 -5.196 9.474 1.00 0.00 N ATOM 1880 CA PHE A 124 -7.694 -4.288 10.530 1.00 0.00 C ATOM 1881 C PHE A 124 -8.003 -5.077 11.799 1.00 0.00 C ATOM 1882 O PHE A 124 -8.399 -4.521 12.804 1.00 0.00 O ATOM 1883 CB PHE A 124 -8.940 -3.574 10.014 1.00 0.00 C ATOM 1884 CG PHE A 124 -8.491 -2.445 9.124 1.00 0.00 C ATOM 1885 CD1 PHE A 124 -7.864 -2.734 7.908 1.00 0.00 C ATOM 1886 CD2 PHE A 124 -8.671 -1.115 9.522 1.00 0.00 C ATOM 1887 CE1 PHE A 124 -7.422 -1.696 7.085 1.00 0.00 C ATOM 1888 CE2 PHE A 124 -8.225 -0.075 8.699 1.00 0.00 C ATOM 1889 CZ PHE A 124 -7.601 -0.367 7.481 1.00 0.00 C ATOM 0 H PHE A 124 -7.856 -5.435 8.745 1.00 0.00 H new ATOM 0 HA PHE A 124 -6.935 -3.545 10.776 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -9.575 -4.266 9.461 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -9.533 -3.192 10.845 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -7.721 -3.761 7.605 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -9.153 -0.892 10.462 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -6.942 -1.920 6.144 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -8.362 0.952 9.004 1.00 0.00 H new ATOM 0 HZ PHE A 124 -7.257 0.436 6.846 1.00 0.00 H new ATOM 1899 N GLU A 125 -7.792 -6.363 11.775 1.00 0.00 N ATOM 1900 CA GLU A 125 -8.044 -7.167 12.999 1.00 0.00 C ATOM 1901 C GLU A 125 -6.888 -6.919 13.964 1.00 0.00 C ATOM 1902 O GLU A 125 -7.051 -6.924 15.168 1.00 0.00 O ATOM 1903 CB GLU A 125 -8.115 -8.653 12.641 1.00 0.00 C ATOM 1904 CG GLU A 125 -9.130 -9.348 13.552 1.00 0.00 C ATOM 1905 CD GLU A 125 -8.827 -9.002 15.010 1.00 0.00 C ATOM 1906 OE1 GLU A 125 -7.813 -9.463 15.509 1.00 0.00 O ATOM 1907 OE2 GLU A 125 -9.613 -8.283 15.604 1.00 0.00 O ATOM 0 H GLU A 125 -7.458 -6.888 10.966 1.00 0.00 H new ATOM 0 HA GLU A 125 -8.991 -6.879 13.456 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -8.405 -8.773 11.597 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -7.133 -9.113 12.754 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -10.141 -9.033 13.295 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -9.086 -10.427 13.407 1.00 0.00 H new ATOM 1914 N LYS A 126 -5.721 -6.673 13.435 1.00 0.00 N ATOM 1915 CA LYS A 126 -4.548 -6.390 14.303 1.00 0.00 C ATOM 1916 C LYS A 126 -4.488 -4.881 14.539 1.00 0.00 C ATOM 1917 O LYS A 126 -3.970 -4.415 15.534 1.00 0.00 O ATOM 1918 CB LYS A 126 -3.267 -6.855 13.606 1.00 0.00 C ATOM 1919 CG LYS A 126 -2.086 -6.745 14.574 1.00 0.00 C ATOM 1920 CD LYS A 126 -1.533 -8.142 14.866 1.00 0.00 C ATOM 1921 CE LYS A 126 -0.334 -8.032 15.809 1.00 0.00 C ATOM 1922 NZ LYS A 126 -0.817 -7.799 17.199 1.00 0.00 N ATOM 0 H LYS A 126 -5.531 -6.656 12.433 1.00 0.00 H new ATOM 0 HA LYS A 126 -4.641 -6.919 15.252 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -3.378 -7.885 13.268 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -3.082 -6.247 12.720 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -1.307 -6.116 14.143 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -2.405 -6.268 15.501 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -2.307 -8.764 15.316 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -1.235 -8.628 13.937 1.00 0.00 H new ATOM 0 HE2 LYS A 126 0.260 -8.945 15.767 1.00 0.00 H new ATOM 0 HE3 LYS A 126 0.315 -7.214 15.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -0.011 -7.825 17.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -1.279 -6.869 17.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -1.499 -8.540 17.458 1.00 0.00 H new ATOM 1936 N LEU A 127 -5.035 -4.116 13.630 1.00 0.00 N ATOM 1937 CA LEU A 127 -5.032 -2.637 13.795 1.00 0.00 C ATOM 1938 C LEU A 127 -6.126 -2.259 14.798 1.00 0.00 C ATOM 1939 O LEU A 127 -6.054 -1.245 15.461 1.00 0.00 O ATOM 1940 CB LEU A 127 -5.308 -1.965 12.434 1.00 0.00 C ATOM 1941 CG LEU A 127 -4.539 -0.638 12.312 1.00 0.00 C ATOM 1942 CD1 LEU A 127 -4.902 0.288 13.475 1.00 0.00 C ATOM 1943 CD2 LEU A 127 -3.027 -0.901 12.319 1.00 0.00 C ATOM 0 H LEU A 127 -5.484 -4.455 12.779 1.00 0.00 H new ATOM 0 HA LEU A 127 -4.062 -2.300 14.161 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -5.015 -2.636 11.626 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -6.377 -1.782 12.324 1.00 0.00 H new ATOM 0 HG LEU A 127 -4.815 -0.160 11.372 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -4.353 1.225 13.380 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -5.973 0.492 13.457 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -4.640 -0.192 14.418 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -2.493 0.045 12.232 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -2.747 -1.391 13.251 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -2.766 -1.544 11.478 1.00 0.00 H new ATOM 1955 N GLY A 128 -7.138 -3.080 14.923 1.00 0.00 N ATOM 1956 CA GLY A 128 -8.230 -2.774 15.891 1.00 0.00 C ATOM 1957 C GLY A 128 -8.723 -1.343 15.673 1.00 0.00 C ATOM 1958 O GLY A 128 -8.232 -0.408 16.273 1.00 0.00 O ATOM 0 H GLY A 128 -7.254 -3.946 14.397 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -9.053 -3.477 15.760 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -7.868 -2.893 16.912 1.00 0.00 H new ATOM 1962 N MET A 129 -9.690 -1.167 14.816 1.00 0.00 N ATOM 1963 CA MET A 129 -10.217 0.202 14.555 1.00 0.00 C ATOM 1964 C MET A 129 -11.381 0.491 15.504 1.00 0.00 C ATOM 1965 O MET A 129 -11.144 1.107 16.531 1.00 0.00 O ATOM 1966 CB MET A 129 -10.704 0.297 13.105 1.00 0.00 C ATOM 1967 CG MET A 129 -10.904 -1.108 12.530 1.00 0.00 C ATOM 1968 SD MET A 129 -12.079 -2.023 13.559 1.00 0.00 S ATOM 1969 CE MET A 129 -11.363 -3.667 13.312 1.00 0.00 C ATOM 1970 OXT MET A 129 -12.490 0.093 15.189 1.00 0.00 O ATOM 0 H MET A 129 -10.139 -1.913 14.284 1.00 0.00 H new ATOM 0 HA MET A 129 -9.424 0.932 14.719 1.00 0.00 H new ATOM 0 HB2 MET A 129 -11.640 0.854 13.062 1.00 0.00 H new ATOM 0 HB3 MET A 129 -9.979 0.846 12.504 1.00 0.00 H new ATOM 0 HG2 MET A 129 -11.274 -1.044 11.507 1.00 0.00 H new ATOM 0 HG3 MET A 129 -9.951 -1.635 12.492 1.00 0.00 H new ATOM 0 HE1 MET A 129 -12.112 -4.427 13.535 1.00 0.00 H new ATOM 0 HE2 MET A 129 -11.038 -3.771 12.277 1.00 0.00 H new ATOM 0 HE3 MET A 129 -10.507 -3.795 13.975 1.00 0.00 H new