USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 725 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 5 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.463) USER MOD Single : A 7 ASN : amide:sc= -3.17 K(o=-3.2,f=-8!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -55:sc= 1.21 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 79:sc= 0.00243 USER MOD Single : A 23 ASN : amide:sc= -0.23 K(o=-0.23,f=-2.6!) USER MOD Single : A 24 GLN : amide:sc= -2.41! C(o=-2.4!,f=-7.5!) USER MOD Single : A 25 GLN :FLIP amide:sc= 0.324! F(o=-0.8,f=0.32!) USER MOD Single : A 28 ASN : amide:sc= -2.65! C(o=-2.7!,f=-9.5!) USER MOD Single : A 33 SER OG : rot -38:sc= 0.00998 USER MOD Single : A 37 MET CE :methyl -162:sc= -2.03 (180deg=-4.12!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -114:sc= -1 (180deg=-2.27) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.0323 X(o=-0.032,f=-0.037) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 121:sc= 0.517 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.0087) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.432 K(o=-0.43,f=-2.5!) USER MOD Single : A 72 GLN : amide:sc= -0.413 X(o=-0.41,f=-0.19) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 THR OG1 : rot -79:sc= 0.92 USER MOD Single : A 79 ASN : amide:sc= -0.138 X(o=-0.14,f=-0.02) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 30 N LEU A 3 -10.585 -12.259 -9.820 1.00 0.00 N ATOM 31 CA LEU A 3 -10.199 -12.071 -8.426 1.00 0.00 C ATOM 32 C LEU A 3 -10.959 -13.031 -7.517 1.00 0.00 C ATOM 33 O LEU A 3 -12.162 -12.878 -7.303 1.00 0.00 O ATOM 34 CB LEU A 3 -10.457 -10.627 -7.994 1.00 0.00 C ATOM 35 CG LEU A 3 -9.348 -9.635 -8.350 1.00 0.00 C ATOM 36 CD1 LEU A 3 -9.930 -8.257 -8.621 1.00 0.00 C ATOM 37 CD2 LEU A 3 -8.315 -9.570 -7.235 1.00 0.00 C ATOM 0 HA LEU A 3 -9.134 -12.284 -8.338 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -11.387 -10.288 -8.451 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -10.607 -10.608 -6.915 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.854 -9.982 -9.258 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -9.126 -7.565 -8.872 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -10.632 -8.316 -9.453 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -10.450 -7.901 -7.732 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -7.533 -8.860 -7.504 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -8.796 -9.247 -6.312 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.875 -10.556 -7.089 1.00 0.00 H new ATOM 49 N LEU A 4 -10.250 -14.020 -6.984 1.00 0.00 N ATOM 50 CA LEU A 4 -10.858 -15.004 -6.097 1.00 0.00 C ATOM 51 C LEU A 4 -11.414 -14.337 -4.843 1.00 0.00 C ATOM 52 O LEU A 4 -11.027 -13.222 -4.499 1.00 0.00 O ATOM 53 CB LEU A 4 -9.834 -16.073 -5.709 1.00 0.00 C ATOM 54 CG LEU A 4 -10.407 -17.477 -5.509 1.00 0.00 C ATOM 55 CD1 LEU A 4 -10.418 -18.241 -6.824 1.00 0.00 C ATOM 56 CD2 LEU A 4 -9.610 -18.233 -4.457 1.00 0.00 C ATOM 0 H LEU A 4 -9.254 -14.161 -7.151 1.00 0.00 H new ATOM 0 HA LEU A 4 -11.683 -15.477 -6.631 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -9.067 -16.117 -6.482 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.340 -15.764 -4.788 1.00 0.00 H new ATOM 0 HG LEU A 4 -11.435 -17.383 -5.159 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.829 -19.238 -6.662 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.033 -17.708 -7.549 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.400 -18.326 -7.204 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.032 -19.230 -4.328 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.572 -18.317 -4.778 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.655 -17.695 -3.510 1.00 0.00 H new ATOM 68 N LYS A 5 -12.324 -15.030 -4.165 1.00 0.00 N ATOM 69 CA LYS A 5 -12.933 -14.504 -2.949 1.00 0.00 C ATOM 70 C LYS A 5 -11.888 -14.311 -1.856 1.00 0.00 C ATOM 71 O LYS A 5 -11.815 -13.251 -1.233 1.00 0.00 O ATOM 72 CB LYS A 5 -14.034 -15.446 -2.457 1.00 0.00 C ATOM 73 CG LYS A 5 -15.169 -14.733 -1.741 1.00 0.00 C ATOM 74 CD LYS A 5 -16.337 -14.467 -2.675 1.00 0.00 C ATOM 75 CE LYS A 5 -16.309 -13.045 -3.211 1.00 0.00 C ATOM 76 NZ LYS A 5 -15.702 -12.974 -4.569 1.00 0.00 N ATOM 0 H LYS A 5 -12.655 -15.956 -4.437 1.00 0.00 H new ATOM 0 HA LYS A 5 -13.371 -13.534 -3.183 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -14.439 -15.993 -3.308 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -13.596 -16.183 -1.783 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -15.506 -15.337 -0.899 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -14.807 -13.790 -1.332 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -16.307 -15.171 -3.507 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -17.274 -14.639 -2.146 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -17.325 -12.651 -3.246 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -15.744 -12.411 -2.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -15.300 -12.027 -4.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -14.949 -13.687 -4.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -16.432 -13.159 -5.286 1.00 0.00 H new ATOM 90 N ALA A 6 -11.080 -15.341 -1.628 1.00 0.00 N ATOM 91 CA ALA A 6 -10.038 -15.284 -0.610 1.00 0.00 C ATOM 92 C ALA A 6 -8.948 -14.290 -0.994 1.00 0.00 C ATOM 93 O ALA A 6 -8.483 -13.511 -0.163 1.00 0.00 O ATOM 94 CB ALA A 6 -9.440 -16.666 -0.389 1.00 0.00 C ATOM 0 H ALA A 6 -11.127 -16.225 -2.135 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.492 -14.943 0.320 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.663 -16.609 0.374 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.221 -17.352 -0.061 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.007 -17.028 -1.321 1.00 0.00 H new ATOM 100 N ASN A 7 -8.545 -14.322 -2.261 1.00 0.00 N ATOM 101 CA ASN A 7 -7.509 -13.424 -2.756 1.00 0.00 C ATOM 102 C ASN A 7 -7.969 -11.970 -2.684 1.00 0.00 C ATOM 103 O ASN A 7 -7.236 -11.099 -2.218 1.00 0.00 O ATOM 104 CB ASN A 7 -7.139 -13.782 -4.196 1.00 0.00 C ATOM 105 CG ASN A 7 -6.624 -15.202 -4.324 1.00 0.00 C ATOM 106 OD1 ASN A 7 -7.120 -15.985 -5.133 1.00 0.00 O ATOM 107 ND2 ASN A 7 -5.621 -15.542 -3.522 1.00 0.00 N ATOM 0 H ASN A 7 -8.921 -14.960 -2.963 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.630 -13.541 -2.122 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -8.013 -13.656 -4.835 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.379 -13.089 -4.556 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -5.232 -16.484 -3.563 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -5.239 -14.861 -2.866 1.00 0.00 H new ATOM 114 N LYS A 8 -9.189 -11.718 -3.149 1.00 0.00 N ATOM 115 CA LYS A 8 -9.747 -10.371 -3.137 1.00 0.00 C ATOM 116 C LYS A 8 -9.960 -9.882 -1.709 1.00 0.00 C ATOM 117 O LYS A 8 -9.858 -8.687 -1.429 1.00 0.00 O ATOM 118 CB LYS A 8 -11.071 -10.339 -3.902 1.00 0.00 C ATOM 119 CG LYS A 8 -11.564 -8.934 -4.208 1.00 0.00 C ATOM 120 CD LYS A 8 -12.827 -8.958 -5.052 1.00 0.00 C ATOM 121 CE LYS A 8 -13.333 -7.554 -5.339 1.00 0.00 C ATOM 122 NZ LYS A 8 -14.485 -7.559 -6.281 1.00 0.00 N ATOM 0 H LYS A 8 -9.809 -12.428 -3.538 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.036 -9.706 -3.626 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -10.953 -10.885 -4.838 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -11.830 -10.862 -3.320 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -11.759 -8.404 -3.275 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -10.785 -8.380 -4.732 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -12.628 -9.473 -5.992 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.600 -9.526 -4.535 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -13.631 -7.078 -4.405 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -12.524 -6.956 -5.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -14.799 -6.582 -6.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -14.195 -7.990 -7.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -15.267 -8.108 -5.870 1.00 0.00 H new ATOM 136 N ASP A 9 -10.254 -10.814 -0.807 1.00 0.00 N ATOM 137 CA ASP A 9 -10.481 -10.477 0.593 1.00 0.00 C ATOM 138 C ASP A 9 -9.174 -10.095 1.280 1.00 0.00 C ATOM 139 O ASP A 9 -9.155 -9.246 2.171 1.00 0.00 O ATOM 140 CB ASP A 9 -11.129 -11.655 1.324 1.00 0.00 C ATOM 141 CG ASP A 9 -11.780 -11.239 2.628 1.00 0.00 C ATOM 142 OD1 ASP A 9 -12.816 -10.543 2.579 1.00 0.00 O ATOM 143 OD2 ASP A 9 -11.254 -11.608 3.699 1.00 0.00 O ATOM 0 H ASP A 9 -10.340 -11.808 -1.021 1.00 0.00 H new ATOM 0 HA ASP A 9 -11.154 -9.620 0.630 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -11.878 -12.113 0.677 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -10.373 -12.415 1.524 1.00 0.00 H new ATOM 148 N LEU A 10 -8.083 -10.727 0.859 1.00 0.00 N ATOM 149 CA LEU A 10 -6.773 -10.454 1.432 1.00 0.00 C ATOM 150 C LEU A 10 -6.300 -9.051 1.065 1.00 0.00 C ATOM 151 O LEU A 10 -5.791 -8.315 1.910 1.00 0.00 O ATOM 152 CB LEU A 10 -5.762 -11.495 0.948 1.00 0.00 C ATOM 153 CG LEU A 10 -5.265 -12.463 2.022 1.00 0.00 C ATOM 154 CD1 LEU A 10 -4.229 -13.415 1.445 1.00 0.00 C ATOM 155 CD2 LEU A 10 -4.688 -11.696 3.202 1.00 0.00 C ATOM 0 H LEU A 10 -8.082 -11.432 0.122 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.854 -10.513 2.517 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.215 -12.072 0.142 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.903 -10.975 0.524 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.112 -13.052 2.374 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.887 -14.096 2.224 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.674 -13.988 0.632 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.382 -12.844 1.065 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.339 -12.400 3.958 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.853 -11.082 2.864 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.458 -11.055 3.631 1.00 0.00 H new ATOM 167 N ILE A 11 -6.472 -8.687 -0.202 1.00 0.00 N ATOM 168 CA ILE A 11 -6.064 -7.372 -0.681 1.00 0.00 C ATOM 169 C ILE A 11 -6.971 -6.280 -0.125 1.00 0.00 C ATOM 170 O ILE A 11 -6.521 -5.169 0.153 1.00 0.00 O ATOM 171 CB ILE A 11 -6.080 -7.305 -2.221 1.00 0.00 C ATOM 172 CG1 ILE A 11 -5.316 -8.491 -2.813 1.00 0.00 C ATOM 173 CG2 ILE A 11 -5.481 -5.990 -2.700 1.00 0.00 C ATOM 174 CD1 ILE A 11 -5.286 -8.496 -4.327 1.00 0.00 C ATOM 0 H ILE A 11 -6.891 -9.284 -0.915 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.045 -7.208 -0.329 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.114 -7.357 -2.562 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.293 -8.478 -2.437 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.772 -9.417 -2.464 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.499 -5.957 -3.789 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.063 -5.159 -2.302 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.451 -5.911 -2.352 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.728 -9.364 -4.677 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.305 -8.541 -4.711 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.803 -7.586 -4.684 1.00 0.00 H new ATOM 186 N SER A 12 -8.251 -6.602 0.033 1.00 0.00 N ATOM 187 CA SER A 12 -9.221 -5.648 0.556 1.00 0.00 C ATOM 188 C SER A 12 -8.803 -5.145 1.933 1.00 0.00 C ATOM 189 O SER A 12 -8.923 -3.957 2.234 1.00 0.00 O ATOM 190 CB SER A 12 -10.608 -6.289 0.634 1.00 0.00 C ATOM 191 OG SER A 12 -10.731 -7.104 1.787 1.00 0.00 O ATOM 0 H SER A 12 -8.640 -7.517 -0.194 1.00 0.00 H new ATOM 0 HA SER A 12 -9.259 -4.798 -0.125 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.371 -5.511 0.652 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.785 -6.888 -0.259 1.00 0.00 H new ATOM 0 HG SER A 12 -10.014 -7.772 1.793 1.00 0.00 H new ATOM 197 N ALA A 13 -8.310 -6.056 2.766 1.00 0.00 N ATOM 198 CA ALA A 13 -7.871 -5.702 4.110 1.00 0.00 C ATOM 199 C ALA A 13 -6.748 -4.672 4.064 1.00 0.00 C ATOM 200 O ALA A 13 -6.777 -3.675 4.782 1.00 0.00 O ATOM 201 CB ALA A 13 -7.419 -6.945 4.861 1.00 0.00 C ATOM 0 H ALA A 13 -8.205 -7.044 2.534 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.715 -5.259 4.638 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.094 -6.666 5.863 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.248 -7.649 4.931 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.591 -7.411 4.327 1.00 0.00 H new ATOM 207 N GLY A 14 -5.760 -4.923 3.212 1.00 0.00 N ATOM 208 CA GLY A 14 -4.640 -4.008 3.084 1.00 0.00 C ATOM 209 C GLY A 14 -5.037 -2.685 2.457 1.00 0.00 C ATOM 210 O GLY A 14 -4.484 -1.639 2.798 1.00 0.00 O ATOM 0 H GLY A 14 -5.714 -5.743 2.608 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.211 -3.825 4.069 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.862 -4.474 2.479 1.00 0.00 H new ATOM 214 N LEU A 15 -5.990 -2.732 1.532 1.00 0.00 N ATOM 215 CA LEU A 15 -6.455 -1.531 0.845 1.00 0.00 C ATOM 216 C LEU A 15 -6.925 -0.467 1.836 1.00 0.00 C ATOM 217 O LEU A 15 -6.524 0.693 1.748 1.00 0.00 O ATOM 218 CB LEU A 15 -7.588 -1.882 -0.123 1.00 0.00 C ATOM 219 CG LEU A 15 -7.371 -1.424 -1.566 1.00 0.00 C ATOM 220 CD1 LEU A 15 -8.549 -1.830 -2.437 1.00 0.00 C ATOM 221 CD2 LEU A 15 -7.161 0.082 -1.620 1.00 0.00 C ATOM 0 H LEU A 15 -6.457 -3.591 1.240 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.615 -1.121 0.284 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.728 -2.963 -0.118 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.512 -1.439 0.248 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.475 -1.911 -1.951 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.377 -1.496 -3.460 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.655 -2.915 -2.423 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.460 -1.371 -2.054 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -7.008 0.391 -2.654 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.039 0.586 -1.216 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.285 0.349 -1.028 1.00 0.00 H new ATOM 233 N LYS A 16 -7.778 -0.867 2.774 1.00 0.00 N ATOM 234 CA LYS A 16 -8.298 0.061 3.773 1.00 0.00 C ATOM 235 C LYS A 16 -7.205 0.481 4.752 1.00 0.00 C ATOM 236 O LYS A 16 -7.230 1.589 5.287 1.00 0.00 O ATOM 237 CB LYS A 16 -9.474 -0.568 4.528 1.00 0.00 C ATOM 238 CG LYS A 16 -9.063 -1.638 5.527 1.00 0.00 C ATOM 239 CD LYS A 16 -10.001 -2.834 5.483 1.00 0.00 C ATOM 240 CE LYS A 16 -10.062 -3.544 6.826 1.00 0.00 C ATOM 241 NZ LYS A 16 -11.360 -4.245 7.025 1.00 0.00 N ATOM 0 H LYS A 16 -8.123 -1.823 2.863 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.651 0.952 3.254 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.017 0.217 5.054 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.165 -1.004 3.806 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.045 -1.965 5.313 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.058 -1.216 6.532 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.000 -2.504 5.199 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.666 -3.532 4.716 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.247 -4.264 6.893 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.914 -2.819 7.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.361 -4.716 7.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -12.137 -3.555 6.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -11.490 -4.955 6.276 1.00 0.00 H new ATOM 255 N GLU A 17 -6.248 -0.411 4.982 1.00 0.00 N ATOM 256 CA GLU A 17 -5.146 -0.133 5.897 1.00 0.00 C ATOM 257 C GLU A 17 -4.350 1.085 5.438 1.00 0.00 C ATOM 258 O GLU A 17 -3.938 1.912 6.251 1.00 0.00 O ATOM 259 CB GLU A 17 -4.225 -1.350 6.004 1.00 0.00 C ATOM 260 CG GLU A 17 -4.644 -2.338 7.080 1.00 0.00 C ATOM 261 CD GLU A 17 -3.884 -3.647 6.996 1.00 0.00 C ATOM 262 OE1 GLU A 17 -2.748 -3.707 7.512 1.00 0.00 O ATOM 263 OE2 GLU A 17 -4.424 -4.611 6.415 1.00 0.00 O ATOM 0 H GLU A 17 -6.213 -1.333 4.548 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.568 0.082 6.879 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.200 -1.862 5.042 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.210 -1.010 6.210 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.483 -1.891 8.061 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.712 -2.536 6.991 1.00 0.00 H new ATOM 270 N PHE A 18 -4.136 1.187 4.131 1.00 0.00 N ATOM 271 CA PHE A 18 -3.389 2.304 3.564 1.00 0.00 C ATOM 272 C PHE A 18 -4.213 3.586 3.605 1.00 0.00 C ATOM 273 O PHE A 18 -3.719 4.641 4.003 1.00 0.00 O ATOM 274 CB PHE A 18 -2.978 1.991 2.123 1.00 0.00 C ATOM 275 CG PHE A 18 -1.605 2.490 1.770 1.00 0.00 C ATOM 276 CD1 PHE A 18 -1.413 3.803 1.371 1.00 0.00 C ATOM 277 CD2 PHE A 18 -0.510 1.646 1.837 1.00 0.00 C ATOM 278 CE1 PHE A 18 -0.151 4.264 1.046 1.00 0.00 C ATOM 279 CE2 PHE A 18 0.755 2.101 1.512 1.00 0.00 C ATOM 280 CZ PHE A 18 0.933 3.412 1.116 1.00 0.00 C ATOM 0 H PHE A 18 -4.469 0.510 3.444 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.492 2.452 4.165 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.015 0.913 1.969 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -3.704 2.435 1.442 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.258 4.473 1.313 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.645 0.620 2.147 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.013 5.290 0.738 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.602 1.433 1.568 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.919 3.770 0.861 1.00 0.00 H new ATOM 290 N SER A 19 -5.471 3.488 3.189 1.00 0.00 N ATOM 291 CA SER A 19 -6.365 4.641 3.178 1.00 0.00 C ATOM 292 C SER A 19 -6.564 5.190 4.587 1.00 0.00 C ATOM 293 O SER A 19 -6.404 6.387 4.827 1.00 0.00 O ATOM 294 CB SER A 19 -7.716 4.259 2.571 1.00 0.00 C ATOM 295 OG SER A 19 -7.569 3.822 1.231 1.00 0.00 O ATOM 0 H SER A 19 -5.895 2.622 2.855 1.00 0.00 H new ATOM 0 HA SER A 19 -5.907 5.418 2.567 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.175 3.469 3.166 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.389 5.116 2.605 1.00 0.00 H new ATOM 0 HG SER A 19 -7.242 2.898 1.222 1.00 0.00 H new ATOM 301 N VAL A 20 -6.913 4.306 5.517 1.00 0.00 N ATOM 302 CA VAL A 20 -7.134 4.703 6.902 1.00 0.00 C ATOM 303 C VAL A 20 -5.870 5.306 7.507 1.00 0.00 C ATOM 304 O VAL A 20 -5.915 6.348 8.161 1.00 0.00 O ATOM 305 CB VAL A 20 -7.594 3.506 7.761 1.00 0.00 C ATOM 306 CG1 VAL A 20 -6.457 2.517 7.987 1.00 0.00 C ATOM 307 CG2 VAL A 20 -8.163 3.987 9.087 1.00 0.00 C ATOM 0 H VAL A 20 -7.049 3.311 5.336 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.922 5.457 6.899 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.382 2.986 7.216 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.813 1.686 8.595 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.107 2.140 7.026 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.636 3.017 8.501 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.482 3.129 9.679 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.398 4.540 9.632 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -9.018 4.638 8.902 1.00 0.00 H new ATOM 317 N LEU A 21 -4.746 4.639 7.281 1.00 0.00 N ATOM 318 CA LEU A 21 -3.463 5.100 7.799 1.00 0.00 C ATOM 319 C LEU A 21 -3.104 6.468 7.225 1.00 0.00 C ATOM 320 O LEU A 21 -2.517 7.305 7.910 1.00 0.00 O ATOM 321 CB LEU A 21 -2.362 4.090 7.467 1.00 0.00 C ATOM 322 CG LEU A 21 -1.025 4.336 8.167 1.00 0.00 C ATOM 323 CD1 LEU A 21 -1.025 3.711 9.554 1.00 0.00 C ATOM 324 CD2 LEU A 21 0.121 3.786 7.332 1.00 0.00 C ATOM 0 H LEU A 21 -4.696 3.775 6.741 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.548 5.191 8.882 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.714 3.092 7.730 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.197 4.096 6.390 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.886 5.411 8.277 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.065 3.896 10.037 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.823 4.152 10.152 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.187 2.636 9.469 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.065 3.969 7.845 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.013 2.713 7.191 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.133 4.280 6.361 1.00 0.00 H new ATOM 336 N LEU A 22 -3.459 6.686 5.963 1.00 0.00 N ATOM 337 CA LEU A 22 -3.174 7.952 5.297 1.00 0.00 C ATOM 338 C LEU A 22 -3.901 9.104 5.982 1.00 0.00 C ATOM 339 O LEU A 22 -3.422 10.239 5.987 1.00 0.00 O ATOM 340 CB LEU A 22 -3.582 7.880 3.824 1.00 0.00 C ATOM 341 CG LEU A 22 -2.556 7.225 2.899 1.00 0.00 C ATOM 342 CD1 LEU A 22 -3.190 6.869 1.564 1.00 0.00 C ATOM 343 CD2 LEU A 22 -1.360 8.145 2.695 1.00 0.00 C ATOM 0 H LEU A 22 -3.944 6.003 5.381 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.101 8.134 5.362 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.520 7.329 3.749 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.777 8.891 3.467 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.207 6.305 3.368 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.444 6.404 0.919 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.014 6.174 1.726 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.568 7.774 1.088 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.639 7.664 2.034 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.693 9.081 2.248 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.890 8.350 3.657 1.00 0.00 H new ATOM 355 N ASN A 23 -5.061 8.808 6.559 1.00 0.00 N ATOM 356 CA ASN A 23 -5.854 9.820 7.248 1.00 0.00 C ATOM 357 C ASN A 23 -5.127 10.332 8.487 1.00 0.00 C ATOM 358 O ASN A 23 -5.274 11.493 8.870 1.00 0.00 O ATOM 359 CB ASN A 23 -7.217 9.249 7.641 1.00 0.00 C ATOM 360 CG ASN A 23 -8.334 10.263 7.490 1.00 0.00 C ATOM 361 OD1 ASN A 23 -8.170 11.291 6.831 1.00 0.00 O ATOM 362 ND2 ASN A 23 -9.478 9.979 8.101 1.00 0.00 N ATOM 0 H ASN A 23 -5.473 7.875 6.563 1.00 0.00 H new ATOM 0 HA ASN A 23 -6.002 10.657 6.565 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -7.435 8.378 7.023 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.179 8.905 8.675 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -10.265 10.624 8.035 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -9.570 9.116 8.636 1.00 0.00 H new ATOM 369 N GLN A 24 -4.343 9.459 9.111 1.00 0.00 N ATOM 370 CA GLN A 24 -3.594 9.823 10.308 1.00 0.00 C ATOM 371 C GLN A 24 -2.595 10.938 10.010 1.00 0.00 C ATOM 372 O GLN A 24 -2.236 11.716 10.895 1.00 0.00 O ATOM 373 CB GLN A 24 -2.861 8.603 10.868 1.00 0.00 C ATOM 374 CG GLN A 24 -3.700 7.781 11.835 1.00 0.00 C ATOM 375 CD GLN A 24 -3.173 6.371 12.009 1.00 0.00 C ATOM 376 OE1 GLN A 24 -3.132 5.589 11.060 1.00 0.00 O ATOM 377 NE2 GLN A 24 -2.766 6.038 13.229 1.00 0.00 N ATOM 0 H GLN A 24 -4.210 8.494 8.807 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.304 10.186 11.052 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.547 7.967 10.041 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.956 8.935 11.376 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -3.723 8.279 12.804 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -4.728 7.739 11.474 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -2.818 6.718 13.987 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -2.402 5.102 13.407 1.00 0.00 H new ATOM 386 N GLN A 25 -2.148 11.011 8.760 1.00 0.00 N ATOM 387 CA GLN A 25 -1.189 12.032 8.348 1.00 0.00 C ATOM 388 C GLN A 25 -1.722 13.432 8.641 1.00 0.00 C ATOM 389 O GLN A 25 -2.909 13.704 8.460 1.00 0.00 O ATOM 390 CB GLN A 25 -0.876 11.894 6.858 1.00 0.00 C ATOM 391 CG GLN A 25 -0.329 10.529 6.474 1.00 0.00 C ATOM 392 CD GLN A 25 1.066 10.286 7.019 1.00 0.00 C ATOM 393 OE1 GLN A 25 1.144 9.890 8.284 1.00 0.00 O flip ATOM 394 NE2 GLN A 25 2.059 10.452 6.313 1.00 0.00 N flip ATOM 0 H GLN A 25 -2.434 10.376 8.015 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.273 11.886 8.920 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -1.783 12.086 6.286 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -0.152 12.659 6.575 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -1.000 9.755 6.846 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -0.311 10.441 5.388 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.952 10.757 5.346 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.990 10.284 6.695 1.00 0.00 H new ATOM 403 N VAL A 26 -0.838 14.314 9.093 1.00 0.00 N ATOM 404 CA VAL A 26 -1.219 15.684 9.411 1.00 0.00 C ATOM 405 C VAL A 26 -0.813 16.641 8.297 1.00 0.00 C ATOM 406 O VAL A 26 -1.535 17.588 7.985 1.00 0.00 O ATOM 407 CB VAL A 26 -0.580 16.153 10.732 1.00 0.00 C ATOM 408 CG1 VAL A 26 -1.146 17.501 11.151 1.00 0.00 C ATOM 409 CG2 VAL A 26 -0.788 15.115 11.824 1.00 0.00 C ATOM 0 H VAL A 26 0.148 14.104 9.247 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.304 15.693 9.517 1.00 0.00 H new ATOM 0 HB VAL A 26 0.492 16.270 10.574 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.682 17.815 12.086 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.938 18.239 10.377 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.224 17.416 11.291 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.330 15.464 12.750 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.856 14.963 11.983 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.328 14.174 11.524 1.00 0.00 H new ATOM 419 N PHE A 27 0.350 16.387 7.699 1.00 0.00 N ATOM 420 CA PHE A 27 0.867 17.221 6.612 1.00 0.00 C ATOM 421 C PHE A 27 0.688 18.707 6.918 1.00 0.00 C ATOM 422 O PHE A 27 -0.347 19.295 6.605 1.00 0.00 O ATOM 423 CB PHE A 27 0.180 16.870 5.288 1.00 0.00 C ATOM 424 CG PHE A 27 -1.314 16.747 5.391 1.00 0.00 C ATOM 425 CD1 PHE A 27 -1.901 15.541 5.738 1.00 0.00 C ATOM 426 CD2 PHE A 27 -2.132 17.838 5.139 1.00 0.00 C ATOM 427 CE1 PHE A 27 -3.275 15.424 5.831 1.00 0.00 C ATOM 428 CE2 PHE A 27 -3.506 17.727 5.232 1.00 0.00 C ATOM 429 CZ PHE A 27 -4.078 16.519 5.579 1.00 0.00 C ATOM 0 H PHE A 27 0.956 15.606 7.950 1.00 0.00 H new ATOM 0 HA PHE A 27 1.934 17.019 6.521 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.422 17.635 4.551 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.587 15.930 4.917 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -1.278 14.682 5.938 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -1.690 18.785 4.867 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.720 14.478 6.100 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -4.132 18.584 5.033 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.152 16.431 5.653 1.00 0.00 H new ATOM 439 N ASN A 28 1.703 19.307 7.529 1.00 0.00 N ATOM 440 CA ASN A 28 1.657 20.723 7.877 1.00 0.00 C ATOM 441 C ASN A 28 2.978 21.183 8.486 1.00 0.00 C ATOM 442 O ASN A 28 3.435 22.297 8.229 1.00 0.00 O ATOM 443 CB ASN A 28 0.512 20.992 8.854 1.00 0.00 C ATOM 444 CG ASN A 28 0.587 20.114 10.088 1.00 0.00 C ATOM 445 OD1 ASN A 28 1.268 19.089 10.094 1.00 0.00 O ATOM 446 ND2 ASN A 28 -0.116 20.513 11.142 1.00 0.00 N ATOM 0 H ASN A 28 2.568 18.836 7.794 1.00 0.00 H new ATOM 0 HA ASN A 28 1.487 21.288 6.961 1.00 0.00 H new ATOM 0 HB2 ASN A 28 0.533 22.039 9.155 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -0.440 20.824 8.349 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -0.105 19.962 12.001 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -0.667 21.370 11.093 1.00 0.00 H new ATOM 453 N ASP A 29 3.587 20.321 9.295 1.00 0.00 N ATOM 454 CA ASP A 29 4.854 20.645 9.942 1.00 0.00 C ATOM 455 C ASP A 29 5.908 19.604 9.665 1.00 0.00 C ATOM 456 O ASP A 29 6.615 19.171 10.576 1.00 0.00 O ATOM 457 CB ASP A 29 4.658 20.815 11.450 1.00 0.00 C ATOM 458 CG ASP A 29 5.749 21.655 12.084 1.00 0.00 C ATOM 459 OD1 ASP A 29 6.850 21.738 11.499 1.00 0.00 O ATOM 460 OD2 ASP A 29 5.504 22.230 13.164 1.00 0.00 O ATOM 0 H ASP A 29 3.224 19.394 9.518 1.00 0.00 H new ATOM 0 HA ASP A 29 5.203 21.588 9.521 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.690 21.280 11.638 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.637 19.834 11.924 1.00 0.00 H new ATOM 465 N PRO A 30 6.077 19.210 8.396 1.00 0.00 N ATOM 466 CA PRO A 30 7.103 18.260 8.062 1.00 0.00 C ATOM 467 C PRO A 30 8.444 18.961 7.962 1.00 0.00 C ATOM 468 O PRO A 30 8.632 19.875 7.157 1.00 0.00 O ATOM 469 CB PRO A 30 6.657 17.744 6.696 1.00 0.00 C ATOM 470 CG PRO A 30 5.953 18.904 6.075 1.00 0.00 C ATOM 471 CD PRO A 30 5.338 19.685 7.210 1.00 0.00 C ATOM 0 HA PRO A 30 7.226 17.466 8.799 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.508 17.426 6.094 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.996 16.883 6.793 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.649 19.523 5.509 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.188 18.565 5.377 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.455 20.759 7.068 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.269 19.490 7.298 1.00 0.00 H new ATOM 479 N LEU A 31 9.364 18.522 8.787 1.00 0.00 N ATOM 480 CA LEU A 31 10.709 19.085 8.822 1.00 0.00 C ATOM 481 C LEU A 31 11.638 18.331 7.877 1.00 0.00 C ATOM 482 O LEU A 31 12.489 18.931 7.218 1.00 0.00 O ATOM 483 CB LEU A 31 11.265 19.042 10.247 1.00 0.00 C ATOM 484 CG LEU A 31 10.967 20.278 11.097 1.00 0.00 C ATOM 485 CD1 LEU A 31 11.726 21.484 10.569 1.00 0.00 C ATOM 486 CD2 LEU A 31 9.471 20.556 11.124 1.00 0.00 C ATOM 0 H LEU A 31 9.210 17.767 9.455 1.00 0.00 H new ATOM 0 HA LEU A 31 10.651 20.123 8.494 1.00 0.00 H new ATOM 0 HB2 LEU A 31 10.859 18.166 10.753 1.00 0.00 H new ATOM 0 HB3 LEU A 31 12.345 18.908 10.195 1.00 0.00 H new ATOM 0 HG LEU A 31 11.300 20.084 12.117 1.00 0.00 H new ATOM 0 HD11 LEU A 31 11.502 22.354 11.186 1.00 0.00 H new ATOM 0 HD12 LEU A 31 12.797 21.283 10.601 1.00 0.00 H new ATOM 0 HD13 LEU A 31 11.425 21.682 9.540 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.276 21.439 11.733 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.115 20.730 10.109 1.00 0.00 H new ATOM 0 HD23 LEU A 31 8.949 19.699 11.550 1.00 0.00 H new ATOM 498 N VAL A 32 11.471 17.015 7.815 1.00 0.00 N ATOM 499 CA VAL A 32 12.294 16.178 6.950 1.00 0.00 C ATOM 500 C VAL A 32 11.986 16.438 5.479 1.00 0.00 C ATOM 501 O VAL A 32 10.920 16.952 5.141 1.00 0.00 O ATOM 502 CB VAL A 32 12.086 14.682 7.251 1.00 0.00 C ATOM 503 CG1 VAL A 32 13.101 13.838 6.496 1.00 0.00 C ATOM 504 CG2 VAL A 32 12.172 14.421 8.747 1.00 0.00 C ATOM 0 H VAL A 32 10.772 16.504 8.354 1.00 0.00 H new ATOM 0 HA VAL A 32 13.333 16.439 7.153 1.00 0.00 H new ATOM 0 HB VAL A 32 11.089 14.398 6.913 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.938 12.784 6.722 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.985 14.002 5.425 1.00 0.00 H new ATOM 0 HG13 VAL A 32 14.108 14.122 6.800 1.00 0.00 H new ATOM 0 HG21 VAL A 32 12.023 13.359 8.940 1.00 0.00 H new ATOM 0 HG22 VAL A 32 13.154 14.722 9.113 1.00 0.00 H new ATOM 0 HG23 VAL A 32 11.401 14.995 9.261 1.00 0.00 H new ATOM 514 N SER A 33 12.925 16.080 4.610 1.00 0.00 N ATOM 515 CA SER A 33 12.752 16.274 3.175 1.00 0.00 C ATOM 516 C SER A 33 11.576 15.456 2.652 1.00 0.00 C ATOM 517 O SER A 33 11.200 14.444 3.244 1.00 0.00 O ATOM 518 CB SER A 33 14.030 15.885 2.430 1.00 0.00 C ATOM 519 OG SER A 33 14.236 16.717 1.301 1.00 0.00 O ATOM 0 H SER A 33 13.813 15.654 4.874 1.00 0.00 H new ATOM 0 HA SER A 33 12.543 17.329 2.999 1.00 0.00 H new ATOM 0 HB2 SER A 33 14.884 15.961 3.103 1.00 0.00 H new ATOM 0 HB3 SER A 33 13.967 14.844 2.112 1.00 0.00 H new ATOM 0 HG SER A 33 13.375 16.908 0.874 1.00 0.00 H new ATOM 525 N GLU A 34 11.000 15.900 1.540 1.00 0.00 N ATOM 526 CA GLU A 34 9.867 15.209 0.938 1.00 0.00 C ATOM 527 C GLU A 34 10.294 13.864 0.358 1.00 0.00 C ATOM 528 O GLU A 34 9.516 12.911 0.335 1.00 0.00 O ATOM 529 CB GLU A 34 9.240 16.073 -0.158 1.00 0.00 C ATOM 530 CG GLU A 34 10.220 16.484 -1.244 1.00 0.00 C ATOM 531 CD GLU A 34 10.780 17.876 -1.027 1.00 0.00 C ATOM 532 OE1 GLU A 34 10.031 18.855 -1.227 1.00 0.00 O ATOM 533 OE2 GLU A 34 11.967 17.987 -0.656 1.00 0.00 O ATOM 0 H GLU A 34 11.300 16.736 1.038 1.00 0.00 H new ATOM 0 HA GLU A 34 9.128 15.029 1.718 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.415 15.525 -0.613 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.816 16.969 0.295 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.041 15.767 -1.278 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.721 16.444 -2.212 1.00 0.00 H new ATOM 540 N GLU A 35 11.536 13.795 -0.109 1.00 0.00 N ATOM 541 CA GLU A 35 12.068 12.566 -0.688 1.00 0.00 C ATOM 542 C GLU A 35 12.119 11.452 0.353 1.00 0.00 C ATOM 543 O GLU A 35 11.899 10.283 0.036 1.00 0.00 O ATOM 544 CB GLU A 35 13.467 12.810 -1.259 1.00 0.00 C ATOM 545 CG GLU A 35 13.487 13.796 -2.415 1.00 0.00 C ATOM 546 CD GLU A 35 14.894 14.149 -2.856 1.00 0.00 C ATOM 547 OE1 GLU A 35 15.560 13.283 -3.462 1.00 0.00 O ATOM 548 OE2 GLU A 35 15.330 15.290 -2.594 1.00 0.00 O ATOM 0 H GLU A 35 12.193 14.575 -0.098 1.00 0.00 H new ATOM 0 HA GLU A 35 11.403 12.256 -1.494 1.00 0.00 H new ATOM 0 HB2 GLU A 35 14.115 13.180 -0.465 1.00 0.00 H new ATOM 0 HB3 GLU A 35 13.884 11.861 -1.594 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.941 13.373 -3.258 1.00 0.00 H new ATOM 0 HG3 GLU A 35 12.963 14.706 -2.121 1.00 0.00 H new ATOM 555 N ASP A 36 12.410 11.824 1.595 1.00 0.00 N ATOM 556 CA ASP A 36 12.490 10.855 2.683 1.00 0.00 C ATOM 557 C ASP A 36 11.148 10.173 2.910 1.00 0.00 C ATOM 558 O ASP A 36 11.083 9.045 3.397 1.00 0.00 O ATOM 559 CB ASP A 36 12.958 11.537 3.971 1.00 0.00 C ATOM 560 CG ASP A 36 14.463 11.470 4.145 1.00 0.00 C ATOM 561 OD1 ASP A 36 14.951 10.467 4.707 1.00 0.00 O ATOM 562 OD2 ASP A 36 15.152 12.420 3.720 1.00 0.00 O ATOM 0 H ASP A 36 12.594 12.788 1.873 1.00 0.00 H new ATOM 0 HA ASP A 36 13.216 10.093 2.401 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.642 12.580 3.962 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.474 11.064 4.826 1.00 0.00 H new ATOM 567 N MET A 37 10.084 10.870 2.553 1.00 0.00 N ATOM 568 CA MET A 37 8.732 10.347 2.711 1.00 0.00 C ATOM 569 C MET A 37 8.395 9.365 1.594 1.00 0.00 C ATOM 570 O MET A 37 7.658 8.401 1.803 1.00 0.00 O ATOM 571 CB MET A 37 7.718 11.492 2.722 1.00 0.00 C ATOM 572 CG MET A 37 7.485 12.086 4.102 1.00 0.00 C ATOM 573 SD MET A 37 8.810 13.198 4.612 1.00 0.00 S ATOM 574 CE MET A 37 8.182 14.766 4.015 1.00 0.00 C ATOM 0 H MET A 37 10.127 11.806 2.149 1.00 0.00 H new ATOM 0 HA MET A 37 8.683 9.818 3.663 1.00 0.00 H new ATOM 0 HB2 MET A 37 8.063 12.278 2.051 1.00 0.00 H new ATOM 0 HB3 MET A 37 6.769 11.130 2.327 1.00 0.00 H new ATOM 0 HG2 MET A 37 6.539 12.628 4.105 1.00 0.00 H new ATOM 0 HG3 MET A 37 7.392 11.280 4.830 1.00 0.00 H new ATOM 0 HE1 MET A 37 8.997 15.487 3.960 1.00 0.00 H new ATOM 0 HE2 MET A 37 7.749 14.631 3.024 1.00 0.00 H new ATOM 0 HE3 MET A 37 7.417 15.135 4.698 1.00 0.00 H new ATOM 584 N VAL A 38 8.941 9.615 0.408 1.00 0.00 N ATOM 585 CA VAL A 38 8.697 8.752 -0.742 1.00 0.00 C ATOM 586 C VAL A 38 9.260 7.354 -0.508 1.00 0.00 C ATOM 587 O VAL A 38 8.616 6.354 -0.823 1.00 0.00 O ATOM 588 CB VAL A 38 9.319 9.335 -2.024 1.00 0.00 C ATOM 589 CG1 VAL A 38 8.886 8.532 -3.242 1.00 0.00 C ATOM 590 CG2 VAL A 38 8.945 10.800 -2.181 1.00 0.00 C ATOM 0 H VAL A 38 9.555 10.407 0.218 1.00 0.00 H new ATOM 0 HA VAL A 38 7.616 8.690 -0.868 1.00 0.00 H new ATOM 0 HB VAL A 38 10.404 9.268 -1.942 1.00 0.00 H new ATOM 0 HG11 VAL A 38 9.336 8.959 -4.138 1.00 0.00 H new ATOM 0 HG12 VAL A 38 9.212 7.498 -3.130 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.800 8.563 -3.331 1.00 0.00 H new ATOM 0 HG21 VAL A 38 9.394 11.194 -3.093 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.861 10.894 -2.240 1.00 0.00 H new ATOM 0 HG23 VAL A 38 9.312 11.363 -1.323 1.00 0.00 H new ATOM 600 N THR A 39 10.466 7.293 0.048 1.00 0.00 N ATOM 601 CA THR A 39 11.115 6.017 0.324 1.00 0.00 C ATOM 602 C THR A 39 10.308 5.202 1.329 1.00 0.00 C ATOM 603 O THR A 39 10.261 3.974 1.253 1.00 0.00 O ATOM 604 CB THR A 39 12.532 6.245 0.856 1.00 0.00 C ATOM 605 OG1 THR A 39 13.119 5.021 1.260 1.00 0.00 O ATOM 606 CG2 THR A 39 12.581 7.190 2.037 1.00 0.00 C ATOM 0 H THR A 39 11.013 8.111 0.316 1.00 0.00 H new ATOM 0 HA THR A 39 11.171 5.457 -0.610 1.00 0.00 H new ATOM 0 HB THR A 39 13.083 6.693 0.029 1.00 0.00 H new ATOM 0 HG1 THR A 39 14.025 5.188 1.595 1.00 0.00 H new ATOM 0 HG21 THR A 39 13.614 7.308 2.366 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.180 8.160 1.744 1.00 0.00 H new ATOM 0 HG23 THR A 39 11.985 6.783 2.854 1.00 0.00 H new ATOM 614 N VAL A 40 9.672 5.893 2.269 1.00 0.00 N ATOM 615 CA VAL A 40 8.866 5.234 3.289 1.00 0.00 C ATOM 616 C VAL A 40 7.687 4.495 2.662 1.00 0.00 C ATOM 617 O VAL A 40 7.322 3.405 3.100 1.00 0.00 O ATOM 618 CB VAL A 40 8.335 6.242 4.325 1.00 0.00 C ATOM 619 CG1 VAL A 40 7.626 5.519 5.462 1.00 0.00 C ATOM 620 CG2 VAL A 40 9.466 7.109 4.861 1.00 0.00 C ATOM 0 H VAL A 40 9.699 6.910 2.345 1.00 0.00 H new ATOM 0 HA VAL A 40 9.515 4.518 3.793 1.00 0.00 H new ATOM 0 HB VAL A 40 7.613 6.892 3.831 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.258 6.248 6.184 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.787 4.948 5.063 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.324 4.842 5.954 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.069 7.814 5.591 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.215 6.476 5.337 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.925 7.658 4.039 1.00 0.00 H new ATOM 630 N VAL A 41 7.098 5.097 1.635 1.00 0.00 N ATOM 631 CA VAL A 41 5.961 4.497 0.947 1.00 0.00 C ATOM 632 C VAL A 41 6.346 3.161 0.318 1.00 0.00 C ATOM 633 O VAL A 41 5.540 2.232 0.268 1.00 0.00 O ATOM 634 CB VAL A 41 5.411 5.428 -0.151 1.00 0.00 C ATOM 635 CG1 VAL A 41 4.140 4.852 -0.756 1.00 0.00 C ATOM 636 CG2 VAL A 41 5.159 6.822 0.408 1.00 0.00 C ATOM 0 H VAL A 41 7.389 6.000 1.260 1.00 0.00 H new ATOM 0 HA VAL A 41 5.186 4.336 1.696 1.00 0.00 H new ATOM 0 HB VAL A 41 6.158 5.506 -0.941 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.768 5.524 -1.529 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.355 3.878 -1.195 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.385 4.740 0.022 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.771 7.466 -0.381 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.432 6.763 1.218 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.093 7.236 0.788 1.00 0.00 H new ATOM 646 N GLU A 42 7.583 3.072 -0.160 1.00 0.00 N ATOM 647 CA GLU A 42 8.074 1.849 -0.785 1.00 0.00 C ATOM 648 C GLU A 42 8.271 0.749 0.254 1.00 0.00 C ATOM 649 O GLU A 42 7.796 -0.374 0.081 1.00 0.00 O ATOM 650 CB GLU A 42 9.392 2.118 -1.514 1.00 0.00 C ATOM 651 CG GLU A 42 9.357 3.358 -2.394 1.00 0.00 C ATOM 652 CD GLU A 42 10.185 3.203 -3.654 1.00 0.00 C ATOM 653 OE1 GLU A 42 10.265 2.070 -4.176 1.00 0.00 O ATOM 654 OE2 GLU A 42 10.754 4.213 -4.118 1.00 0.00 O ATOM 0 H GLU A 42 8.263 3.831 -0.127 1.00 0.00 H new ATOM 0 HA GLU A 42 7.329 1.515 -1.507 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.189 2.227 -0.779 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.641 1.253 -2.129 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.325 3.576 -2.667 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.724 4.213 -1.826 1.00 0.00 H new ATOM 661 N ASP A 43 8.974 1.080 1.333 1.00 0.00 N ATOM 662 CA ASP A 43 9.232 0.120 2.400 1.00 0.00 C ATOM 663 C ASP A 43 7.948 -0.219 3.149 1.00 0.00 C ATOM 664 O ASP A 43 7.784 -1.332 3.649 1.00 0.00 O ATOM 665 CB ASP A 43 10.274 0.676 3.373 1.00 0.00 C ATOM 666 CG ASP A 43 11.092 -0.417 4.032 1.00 0.00 C ATOM 667 OD1 ASP A 43 10.647 -0.946 5.072 1.00 0.00 O ATOM 668 OD2 ASP A 43 12.178 -0.744 3.507 1.00 0.00 O ATOM 0 H ASP A 43 9.375 2.005 1.491 1.00 0.00 H new ATOM 0 HA ASP A 43 9.618 -0.794 1.948 1.00 0.00 H new ATOM 0 HB2 ASP A 43 10.941 1.353 2.839 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.772 1.264 4.142 1.00 0.00 H new ATOM 673 N TRP A 44 7.040 0.749 3.225 1.00 0.00 N ATOM 674 CA TRP A 44 5.769 0.554 3.913 1.00 0.00 C ATOM 675 C TRP A 44 4.980 -0.591 3.285 1.00 0.00 C ATOM 676 O TRP A 44 4.510 -1.490 3.982 1.00 0.00 O ATOM 677 CB TRP A 44 4.943 1.841 3.877 1.00 0.00 C ATOM 678 CG TRP A 44 5.045 2.651 5.134 1.00 0.00 C ATOM 679 CD1 TRP A 44 6.024 2.574 6.083 1.00 0.00 C ATOM 680 CD2 TRP A 44 4.133 3.663 5.579 1.00 0.00 C ATOM 681 NE1 TRP A 44 5.777 3.475 7.090 1.00 0.00 N ATOM 682 CE2 TRP A 44 4.622 4.155 6.804 1.00 0.00 C ATOM 683 CE3 TRP A 44 2.952 4.200 5.061 1.00 0.00 C ATOM 684 CZ2 TRP A 44 3.970 5.158 7.517 1.00 0.00 C ATOM 685 CZ3 TRP A 44 2.305 5.195 5.769 1.00 0.00 C ATOM 686 CH2 TRP A 44 2.816 5.665 6.985 1.00 0.00 C ATOM 0 H TRP A 44 7.161 1.677 2.818 1.00 0.00 H new ATOM 0 HA TRP A 44 5.981 0.297 4.951 1.00 0.00 H new ATOM 0 HB2 TRP A 44 5.270 2.450 3.034 1.00 0.00 H new ATOM 0 HB3 TRP A 44 3.898 1.588 3.701 1.00 0.00 H new ATOM 0 HD1 TRP A 44 6.869 1.903 6.047 1.00 0.00 H new ATOM 0 HE1 TRP A 44 6.359 3.615 7.916 1.00 0.00 H new ATOM 0 HE3 TRP A 44 2.551 3.844 4.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.361 5.522 8.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.391 5.617 5.378 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.288 6.444 7.514 1.00 0.00 H new ATOM 697 N MET A 45 4.842 -0.552 1.963 1.00 0.00 N ATOM 698 CA MET A 45 4.112 -1.587 1.241 1.00 0.00 C ATOM 699 C MET A 45 4.845 -2.922 1.315 1.00 0.00 C ATOM 700 O MET A 45 4.224 -3.977 1.454 1.00 0.00 O ATOM 701 CB MET A 45 3.919 -1.178 -0.221 1.00 0.00 C ATOM 702 CG MET A 45 5.215 -0.813 -0.926 1.00 0.00 C ATOM 703 SD MET A 45 5.010 -0.640 -2.709 1.00 0.00 S ATOM 704 CE MET A 45 3.751 0.632 -2.784 1.00 0.00 C ATOM 0 H MET A 45 5.226 0.185 1.371 1.00 0.00 H new ATOM 0 HA MET A 45 3.135 -1.703 1.711 1.00 0.00 H new ATOM 0 HB2 MET A 45 3.441 -1.997 -0.759 1.00 0.00 H new ATOM 0 HB3 MET A 45 3.239 -0.327 -0.265 1.00 0.00 H new ATOM 0 HG2 MET A 45 5.597 0.122 -0.516 1.00 0.00 H new ATOM 0 HG3 MET A 45 5.963 -1.579 -0.723 1.00 0.00 H new ATOM 0 HE1 MET A 45 2.836 0.214 -3.204 1.00 0.00 H new ATOM 0 HE2 MET A 45 3.552 1.006 -1.780 1.00 0.00 H new ATOM 0 HE3 MET A 45 4.098 1.451 -3.414 1.00 0.00 H new ATOM 714 N ASN A 46 6.170 -2.870 1.221 1.00 0.00 N ATOM 715 CA ASN A 46 6.989 -4.076 1.278 1.00 0.00 C ATOM 716 C ASN A 46 6.786 -4.811 2.599 1.00 0.00 C ATOM 717 O ASN A 46 6.883 -6.036 2.661 1.00 0.00 O ATOM 718 CB ASN A 46 8.467 -3.721 1.095 1.00 0.00 C ATOM 719 CG ASN A 46 9.014 -4.189 -0.238 1.00 0.00 C ATOM 720 OD1 ASN A 46 9.668 -5.229 -0.324 1.00 0.00 O ATOM 721 ND2 ASN A 46 8.748 -3.423 -1.290 1.00 0.00 N ATOM 0 H ASN A 46 6.699 -2.006 1.105 1.00 0.00 H new ATOM 0 HA ASN A 46 6.679 -4.736 0.468 1.00 0.00 H new ATOM 0 HB2 ASN A 46 8.591 -2.641 1.176 1.00 0.00 H new ATOM 0 HB3 ASN A 46 9.048 -4.170 1.901 1.00 0.00 H new ATOM 0 HD21 ASN A 46 9.089 -3.689 -2.214 1.00 0.00 H new ATOM 0 HD22 ASN A 46 8.202 -2.569 -1.174 1.00 0.00 H new ATOM 728 N PHE A 47 6.502 -4.054 3.654 1.00 0.00 N ATOM 729 CA PHE A 47 6.286 -4.634 4.975 1.00 0.00 C ATOM 730 C PHE A 47 4.984 -5.426 5.016 1.00 0.00 C ATOM 731 O PHE A 47 4.946 -6.554 5.508 1.00 0.00 O ATOM 732 CB PHE A 47 6.262 -3.535 6.039 1.00 0.00 C ATOM 733 CG PHE A 47 6.814 -3.972 7.366 1.00 0.00 C ATOM 734 CD1 PHE A 47 8.124 -4.410 7.477 1.00 0.00 C ATOM 735 CD2 PHE A 47 6.022 -3.945 8.503 1.00 0.00 C ATOM 736 CE1 PHE A 47 8.634 -4.812 8.696 1.00 0.00 C ATOM 737 CE2 PHE A 47 6.526 -4.347 9.725 1.00 0.00 C ATOM 738 CZ PHE A 47 7.834 -4.780 9.822 1.00 0.00 C ATOM 0 H PHE A 47 6.416 -3.038 3.620 1.00 0.00 H new ATOM 0 HA PHE A 47 7.111 -5.315 5.184 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.835 -2.680 5.680 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.235 -3.195 6.176 1.00 0.00 H new ATOM 0 HD1 PHE A 47 8.754 -4.437 6.600 1.00 0.00 H new ATOM 0 HD2 PHE A 47 4.999 -3.606 8.433 1.00 0.00 H new ATOM 0 HE1 PHE A 47 9.657 -5.151 8.769 1.00 0.00 H new ATOM 0 HE2 PHE A 47 5.898 -4.323 10.603 1.00 0.00 H new ATOM 0 HZ PHE A 47 8.231 -5.093 10.776 1.00 0.00 H new ATOM 748 N TYR A 48 3.917 -4.828 4.495 1.00 0.00 N ATOM 749 CA TYR A 48 2.611 -5.478 4.473 1.00 0.00 C ATOM 750 C TYR A 48 2.664 -6.781 3.680 1.00 0.00 C ATOM 751 O TYR A 48 2.004 -7.759 4.030 1.00 0.00 O ATOM 752 CB TYR A 48 1.563 -4.543 3.868 1.00 0.00 C ATOM 753 CG TYR A 48 1.255 -3.339 4.731 1.00 0.00 C ATOM 754 CD1 TYR A 48 0.468 -3.458 5.869 1.00 0.00 C ATOM 755 CD2 TYR A 48 1.755 -2.084 4.407 1.00 0.00 C ATOM 756 CE1 TYR A 48 0.185 -2.361 6.659 1.00 0.00 C ATOM 757 CE2 TYR A 48 1.477 -0.981 5.193 1.00 0.00 C ATOM 758 CZ TYR A 48 0.693 -1.125 6.317 1.00 0.00 C ATOM 759 OH TYR A 48 0.414 -0.029 7.101 1.00 0.00 O ATOM 0 H TYR A 48 3.931 -3.895 4.083 1.00 0.00 H new ATOM 0 HA TYR A 48 2.332 -5.710 5.501 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.912 -4.201 2.894 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.643 -5.103 3.699 1.00 0.00 H new ATOM 0 HD1 TYR A 48 0.071 -4.425 6.141 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.371 -1.968 3.527 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -0.431 -2.470 7.540 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.872 -0.012 4.927 1.00 0.00 H new ATOM 0 HH TYR A 48 0.848 0.764 6.722 1.00 0.00 H new ATOM 769 N ILE A 49 3.456 -6.786 2.613 1.00 0.00 N ATOM 770 CA ILE A 49 3.597 -7.969 1.772 1.00 0.00 C ATOM 771 C ILE A 49 4.277 -9.105 2.531 1.00 0.00 C ATOM 772 O ILE A 49 3.887 -10.266 2.410 1.00 0.00 O ATOM 773 CB ILE A 49 4.404 -7.659 0.496 1.00 0.00 C ATOM 774 CG1 ILE A 49 3.804 -6.455 -0.233 1.00 0.00 C ATOM 775 CG2 ILE A 49 4.443 -8.875 -0.419 1.00 0.00 C ATOM 776 CD1 ILE A 49 4.820 -5.653 -1.016 1.00 0.00 C ATOM 0 H ILE A 49 4.010 -5.985 2.310 1.00 0.00 H new ATOM 0 HA ILE A 49 2.591 -8.278 1.488 1.00 0.00 H new ATOM 0 HB ILE A 49 5.427 -7.414 0.783 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.026 -6.803 -0.913 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.322 -5.803 0.495 1.00 0.00 H new ATOM 0 HG21 ILE A 49 5.017 -8.638 -1.315 1.00 0.00 H new ATOM 0 HG22 ILE A 49 4.913 -9.708 0.103 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.427 -9.151 -0.701 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.323 -4.816 -1.506 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.585 -5.274 -0.338 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.285 -6.290 -1.768 1.00 0.00 H new ATOM 788 N ASN A 50 5.294 -8.761 3.314 1.00 0.00 N ATOM 789 CA ASN A 50 6.028 -9.753 4.093 1.00 0.00 C ATOM 790 C ASN A 50 5.099 -10.481 5.058 1.00 0.00 C ATOM 791 O ASN A 50 5.184 -11.699 5.218 1.00 0.00 O ATOM 792 CB ASN A 50 7.165 -9.083 4.867 1.00 0.00 C ATOM 793 CG ASN A 50 8.436 -8.974 4.047 1.00 0.00 C ATOM 794 OD1 ASN A 50 9.021 -9.981 3.650 1.00 0.00 O ATOM 795 ND2 ASN A 50 8.870 -7.745 3.791 1.00 0.00 N ATOM 0 H ASN A 50 5.629 -7.804 3.426 1.00 0.00 H new ATOM 0 HA ASN A 50 6.449 -10.484 3.402 1.00 0.00 H new ATOM 0 HB2 ASN A 50 6.851 -8.087 5.180 1.00 0.00 H new ATOM 0 HB3 ASN A 50 7.369 -9.652 5.774 1.00 0.00 H new ATOM 0 HD21 ASN A 50 9.721 -7.608 3.245 1.00 0.00 H new ATOM 0 HD22 ASN A 50 8.353 -6.938 4.140 1.00 0.00 H new ATOM 802 N TYR A 51 4.212 -9.727 5.700 1.00 0.00 N ATOM 803 CA TYR A 51 3.266 -10.301 6.650 1.00 0.00 C ATOM 804 C TYR A 51 2.153 -11.050 5.926 1.00 0.00 C ATOM 805 O TYR A 51 1.802 -12.170 6.296 1.00 0.00 O ATOM 806 CB TYR A 51 2.669 -9.202 7.532 1.00 0.00 C ATOM 807 CG TYR A 51 2.420 -9.638 8.958 1.00 0.00 C ATOM 808 CD1 TYR A 51 3.477 -9.960 9.801 1.00 0.00 C ATOM 809 CD2 TYR A 51 1.128 -9.728 9.462 1.00 0.00 C ATOM 810 CE1 TYR A 51 3.252 -10.359 11.105 1.00 0.00 C ATOM 811 CE2 TYR A 51 0.896 -10.125 10.765 1.00 0.00 C ATOM 812 CZ TYR A 51 1.961 -10.440 11.581 1.00 0.00 C ATOM 813 OH TYR A 51 1.734 -10.836 12.880 1.00 0.00 O ATOM 0 H TYR A 51 4.129 -8.718 5.580 1.00 0.00 H new ATOM 0 HA TYR A 51 3.805 -11.010 7.279 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.342 -8.345 7.535 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.729 -8.867 7.094 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.490 -9.897 9.431 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.291 -9.484 8.824 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.084 -10.606 11.748 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -0.114 -10.188 11.142 1.00 0.00 H new ATOM 0 HH TYR A 51 0.770 -10.839 13.057 1.00 0.00 H new ATOM 823 N TYR A 52 1.602 -10.423 4.892 1.00 0.00 N ATOM 824 CA TYR A 52 0.526 -11.030 4.115 1.00 0.00 C ATOM 825 C TYR A 52 0.983 -12.343 3.486 1.00 0.00 C ATOM 826 O TYR A 52 0.263 -13.340 3.516 1.00 0.00 O ATOM 827 CB TYR A 52 0.050 -10.068 3.025 1.00 0.00 C ATOM 828 CG TYR A 52 -1.084 -9.170 3.465 1.00 0.00 C ATOM 829 CD1 TYR A 52 -2.218 -9.697 4.071 1.00 0.00 C ATOM 830 CD2 TYR A 52 -1.022 -7.795 3.274 1.00 0.00 C ATOM 831 CE1 TYR A 52 -3.258 -8.879 4.474 1.00 0.00 C ATOM 832 CE2 TYR A 52 -2.056 -6.971 3.675 1.00 0.00 C ATOM 833 CZ TYR A 52 -3.172 -7.518 4.274 1.00 0.00 C ATOM 834 OH TYR A 52 -4.204 -6.701 4.674 1.00 0.00 O ATOM 0 H TYR A 52 1.882 -9.496 4.572 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.302 -11.240 4.791 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.889 -9.450 2.706 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.270 -10.645 2.157 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -2.288 -10.763 4.230 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.151 -7.363 2.804 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -4.133 -9.305 4.943 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.991 -5.904 3.520 1.00 0.00 H new ATOM 0 HH TYR A 52 -3.870 -6.044 5.320 1.00 0.00 H new ATOM 844 N ARG A 53 2.184 -12.335 2.917 1.00 0.00 N ATOM 845 CA ARG A 53 2.737 -13.525 2.280 1.00 0.00 C ATOM 846 C ARG A 53 2.830 -14.683 3.269 1.00 0.00 C ATOM 847 O ARG A 53 2.803 -15.849 2.878 1.00 0.00 O ATOM 848 CB ARG A 53 4.121 -13.222 1.702 1.00 0.00 C ATOM 849 CG ARG A 53 4.524 -14.153 0.570 1.00 0.00 C ATOM 850 CD ARG A 53 5.631 -13.550 -0.279 1.00 0.00 C ATOM 851 NE ARG A 53 5.580 -14.021 -1.662 1.00 0.00 N ATOM 852 CZ ARG A 53 6.520 -13.765 -2.567 1.00 0.00 C ATOM 853 NH1 ARG A 53 7.587 -13.043 -2.242 1.00 0.00 N ATOM 854 NH2 ARG A 53 6.395 -14.230 -3.803 1.00 0.00 N ATOM 0 H ARG A 53 2.793 -11.518 2.884 1.00 0.00 H new ATOM 0 HA ARG A 53 2.067 -13.816 1.471 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.137 -12.194 1.339 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.861 -13.291 2.499 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.858 -15.105 0.982 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.657 -14.363 -0.056 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.549 -12.463 -0.263 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.599 -13.803 0.154 1.00 0.00 H new ATOM 0 HE ARG A 53 4.776 -14.579 -1.950 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.689 -12.682 -1.294 1.00 0.00 H new ATOM 0 HH12 ARG A 53 8.304 -12.850 -2.941 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.578 -14.784 -4.059 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.116 -14.034 -4.497 1.00 0.00 H new ATOM 868 N GLN A 54 2.938 -14.354 4.554 1.00 0.00 N ATOM 869 CA GLN A 54 3.035 -15.369 5.597 1.00 0.00 C ATOM 870 C GLN A 54 1.651 -15.790 6.095 1.00 0.00 C ATOM 871 O GLN A 54 1.535 -16.521 7.078 1.00 0.00 O ATOM 872 CB GLN A 54 3.870 -14.848 6.767 1.00 0.00 C ATOM 873 CG GLN A 54 5.364 -15.076 6.597 1.00 0.00 C ATOM 874 CD GLN A 54 6.087 -15.209 7.923 1.00 0.00 C ATOM 875 OE1 GLN A 54 6.194 -16.302 8.478 1.00 0.00 O ATOM 876 NE2 GLN A 54 6.587 -14.092 8.438 1.00 0.00 N ATOM 0 H GLN A 54 2.960 -13.394 4.897 1.00 0.00 H new ATOM 0 HA GLN A 54 3.523 -16.243 5.166 1.00 0.00 H new ATOM 0 HB2 GLN A 54 3.685 -13.781 6.888 1.00 0.00 H new ATOM 0 HB3 GLN A 54 3.539 -15.335 7.684 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.525 -15.978 6.007 1.00 0.00 H new ATOM 0 HG3 GLN A 54 5.793 -14.246 6.035 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.475 -13.207 7.943 1.00 0.00 H new ATOM 0 HE22 GLN A 54 7.083 -14.119 9.329 1.00 0.00 H new ATOM 885 N GLN A 55 0.604 -15.327 5.414 1.00 0.00 N ATOM 886 CA GLN A 55 -0.762 -15.663 5.797 1.00 0.00 C ATOM 887 C GLN A 55 -1.634 -15.880 4.564 1.00 0.00 C ATOM 888 O GLN A 55 -2.764 -15.397 4.495 1.00 0.00 O ATOM 889 CB GLN A 55 -1.356 -14.554 6.669 1.00 0.00 C ATOM 890 CG GLN A 55 -2.387 -15.053 7.668 1.00 0.00 C ATOM 891 CD GLN A 55 -1.785 -15.342 9.031 1.00 0.00 C ATOM 892 OE1 GLN A 55 -0.717 -15.946 9.135 1.00 0.00 O ATOM 893 NE2 GLN A 55 -2.470 -14.911 10.083 1.00 0.00 N ATOM 0 H GLN A 55 0.677 -14.720 4.597 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.736 -16.591 6.369 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.550 -14.057 7.209 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.818 -13.805 6.026 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.176 -14.308 7.774 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.854 -15.959 7.281 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.351 -14.415 9.949 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.115 -15.076 11.025 1.00 0.00 H new ATOM 902 N VAL A 56 -1.101 -16.611 3.590 1.00 0.00 N ATOM 903 CA VAL A 56 -1.830 -16.893 2.357 1.00 0.00 C ATOM 904 C VAL A 56 -2.247 -18.359 2.294 1.00 0.00 C ATOM 905 O VAL A 56 -1.874 -19.158 3.152 1.00 0.00 O ATOM 906 CB VAL A 56 -0.996 -16.553 1.097 1.00 0.00 C ATOM 907 CG1 VAL A 56 -1.778 -15.634 0.171 1.00 0.00 C ATOM 908 CG2 VAL A 56 0.339 -15.923 1.475 1.00 0.00 C ATOM 0 H VAL A 56 -0.167 -17.019 3.630 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.716 -16.258 2.369 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.790 -17.484 0.569 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.176 -15.406 -0.709 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.700 -16.127 -0.138 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.019 -14.709 0.695 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.903 -15.695 0.570 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.162 -15.004 2.034 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.908 -16.619 2.092 1.00 0.00 H new ATOM 918 N THR A 57 -3.017 -18.705 1.266 1.00 0.00 N ATOM 919 CA THR A 57 -3.483 -20.066 1.076 1.00 0.00 C ATOM 920 C THR A 57 -4.062 -20.235 -0.320 1.00 0.00 C ATOM 921 O THR A 57 -4.676 -19.320 -0.870 1.00 0.00 O ATOM 922 CB THR A 57 -4.537 -20.438 2.116 1.00 0.00 C ATOM 923 OG1 THR A 57 -5.415 -19.351 2.354 1.00 0.00 O ATOM 924 CG2 THR A 57 -3.952 -20.857 3.447 1.00 0.00 C ATOM 0 H THR A 57 -3.331 -18.052 0.549 1.00 0.00 H new ATOM 0 HA THR A 57 -2.628 -20.731 1.197 1.00 0.00 H new ATOM 0 HB THR A 57 -5.068 -21.290 1.691 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.084 -19.611 3.022 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.758 -21.107 4.136 1.00 0.00 H new ATOM 0 HG22 THR A 57 -3.313 -21.728 3.305 1.00 0.00 H new ATOM 0 HG23 THR A 57 -3.363 -20.038 3.859 1.00 0.00 H new ATOM 932 N GLY A 58 -3.856 -21.409 -0.882 1.00 0.00 N ATOM 933 CA GLY A 58 -4.350 -21.701 -2.211 1.00 0.00 C ATOM 934 C GLY A 58 -3.326 -22.422 -3.057 1.00 0.00 C ATOM 935 O GLY A 58 -2.750 -23.426 -2.636 1.00 0.00 O ATOM 0 H GLY A 58 -3.350 -22.176 -0.439 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.250 -22.311 -2.136 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.635 -20.771 -2.703 1.00 0.00 H new ATOM 939 N GLU A 59 -3.099 -21.903 -4.250 1.00 0.00 N ATOM 940 CA GLU A 59 -2.136 -22.485 -5.175 1.00 0.00 C ATOM 941 C GLU A 59 -0.922 -21.573 -5.329 1.00 0.00 C ATOM 942 O GLU A 59 -1.017 -20.363 -5.122 1.00 0.00 O ATOM 943 CB GLU A 59 -2.787 -22.723 -6.538 1.00 0.00 C ATOM 944 CG GLU A 59 -4.141 -23.409 -6.455 1.00 0.00 C ATOM 945 CD GLU A 59 -4.342 -24.439 -7.548 1.00 0.00 C ATOM 946 OE1 GLU A 59 -3.459 -25.306 -7.717 1.00 0.00 O ATOM 947 OE2 GLU A 59 -5.383 -24.379 -8.237 1.00 0.00 O ATOM 0 H GLU A 59 -3.572 -21.072 -4.606 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.805 -23.441 -4.769 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.904 -21.766 -7.047 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.119 -23.329 -7.149 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.240 -23.892 -5.483 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.929 -22.658 -6.519 1.00 0.00 H new ATOM 954 N PRO A 60 0.240 -22.139 -5.695 1.00 0.00 N ATOM 955 CA PRO A 60 1.471 -21.367 -5.877 1.00 0.00 C ATOM 956 C PRO A 60 1.264 -20.168 -6.796 1.00 0.00 C ATOM 957 O PRO A 60 1.717 -19.061 -6.503 1.00 0.00 O ATOM 958 CB PRO A 60 2.450 -22.369 -6.509 1.00 0.00 C ATOM 959 CG PRO A 60 1.622 -23.549 -6.903 1.00 0.00 C ATOM 960 CD PRO A 60 0.451 -23.566 -5.967 1.00 0.00 C ATOM 0 HA PRO A 60 1.830 -20.951 -4.936 1.00 0.00 H new ATOM 0 HB2 PRO A 60 2.950 -21.935 -7.375 1.00 0.00 H new ATOM 0 HB3 PRO A 60 3.228 -22.655 -5.802 1.00 0.00 H new ATOM 0 HG2 PRO A 60 1.292 -23.465 -7.939 1.00 0.00 H new ATOM 0 HG3 PRO A 60 2.197 -24.472 -6.825 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -0.426 -24.026 -6.423 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.667 -24.125 -5.057 1.00 0.00 H new ATOM 968 N GLN A 61 0.574 -20.395 -7.908 1.00 0.00 N ATOM 969 CA GLN A 61 0.302 -19.334 -8.870 1.00 0.00 C ATOM 970 C GLN A 61 -0.788 -18.397 -8.357 1.00 0.00 C ATOM 971 O GLN A 61 -0.800 -17.209 -8.679 1.00 0.00 O ATOM 972 CB GLN A 61 -0.113 -19.929 -10.216 1.00 0.00 C ATOM 973 CG GLN A 61 -1.247 -20.936 -10.112 1.00 0.00 C ATOM 974 CD GLN A 61 -2.253 -20.798 -11.237 1.00 0.00 C ATOM 975 OE1 GLN A 61 -2.209 -21.538 -12.220 1.00 0.00 O ATOM 976 NE2 GLN A 61 -3.169 -19.846 -11.099 1.00 0.00 N ATOM 0 H GLN A 61 0.193 -21.305 -8.166 1.00 0.00 H new ATOM 0 HA GLN A 61 1.218 -18.758 -9.003 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.415 -19.122 -10.883 1.00 0.00 H new ATOM 0 HB3 GLN A 61 0.751 -20.413 -10.672 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -0.834 -21.945 -10.120 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -1.756 -20.808 -9.157 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -3.169 -19.255 -10.268 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -3.872 -19.706 -11.824 1.00 0.00 H new ATOM 985 N GLU A 62 -1.702 -18.939 -7.557 1.00 0.00 N ATOM 986 CA GLU A 62 -2.793 -18.145 -7.002 1.00 0.00 C ATOM 987 C GLU A 62 -2.260 -17.100 -6.030 1.00 0.00 C ATOM 988 O GLU A 62 -2.607 -15.922 -6.118 1.00 0.00 O ATOM 989 CB GLU A 62 -3.805 -19.053 -6.299 1.00 0.00 C ATOM 990 CG GLU A 62 -5.104 -19.225 -7.069 1.00 0.00 C ATOM 991 CD GLU A 62 -6.323 -19.200 -6.168 1.00 0.00 C ATOM 992 OE1 GLU A 62 -6.330 -19.933 -5.157 1.00 0.00 O ATOM 993 OE2 GLU A 62 -7.272 -18.447 -6.473 1.00 0.00 O ATOM 0 H GLU A 62 -1.709 -19.921 -7.280 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.292 -17.629 -7.822 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.354 -20.032 -6.141 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.027 -18.642 -5.314 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.189 -18.432 -7.812 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.078 -20.169 -7.612 1.00 0.00 H new ATOM 1000 N ARG A 63 -1.411 -17.537 -5.106 1.00 0.00 N ATOM 1001 CA ARG A 63 -0.826 -16.640 -4.125 1.00 0.00 C ATOM 1002 C ARG A 63 -0.005 -15.553 -4.810 1.00 0.00 C ATOM 1003 O ARG A 63 0.033 -14.410 -4.356 1.00 0.00 O ATOM 1004 CB ARG A 63 0.053 -17.428 -3.154 1.00 0.00 C ATOM 1005 CG ARG A 63 1.121 -18.264 -3.841 1.00 0.00 C ATOM 1006 CD ARG A 63 2.041 -18.931 -2.832 1.00 0.00 C ATOM 1007 NE ARG A 63 1.302 -19.742 -1.868 1.00 0.00 N ATOM 1008 CZ ARG A 63 1.877 -20.457 -0.904 1.00 0.00 C ATOM 1009 NH1 ARG A 63 3.198 -20.465 -0.773 1.00 0.00 N ATOM 1010 NH2 ARG A 63 1.130 -21.166 -0.069 1.00 0.00 N ATOM 0 H ARG A 63 -1.114 -18.509 -5.019 1.00 0.00 H new ATOM 0 HA ARG A 63 -1.633 -16.163 -3.569 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.534 -16.732 -2.467 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.579 -18.083 -2.554 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.646 -19.025 -4.461 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.708 -17.631 -4.507 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.760 -19.559 -3.358 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.611 -18.168 -2.302 1.00 0.00 H new ATOM 0 HE ARG A 63 0.285 -19.762 -1.938 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.777 -19.921 -1.413 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.634 -21.015 -0.032 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.115 -21.163 -0.165 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.571 -21.714 0.670 1.00 0.00 H new ATOM 1024 N ASP A 64 0.647 -15.919 -5.909 1.00 0.00 N ATOM 1025 CA ASP A 64 1.464 -14.975 -6.662 1.00 0.00 C ATOM 1026 C ASP A 64 0.589 -13.963 -7.394 1.00 0.00 C ATOM 1027 O ASP A 64 0.949 -12.793 -7.519 1.00 0.00 O ATOM 1028 CB ASP A 64 2.347 -15.722 -7.664 1.00 0.00 C ATOM 1029 CG ASP A 64 3.705 -15.069 -7.835 1.00 0.00 C ATOM 1030 OD1 ASP A 64 4.469 -15.021 -6.848 1.00 0.00 O ATOM 1031 OD2 ASP A 64 4.004 -14.606 -8.956 1.00 0.00 O ATOM 0 H ASP A 64 0.625 -16.862 -6.297 1.00 0.00 H new ATOM 0 HA ASP A 64 2.099 -14.437 -5.958 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.481 -16.751 -7.330 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.842 -15.763 -8.629 1.00 0.00 H new ATOM 1036 N LYS A 65 -0.561 -14.424 -7.876 1.00 0.00 N ATOM 1037 CA LYS A 65 -1.487 -13.559 -8.598 1.00 0.00 C ATOM 1038 C LYS A 65 -2.197 -12.601 -7.648 1.00 0.00 C ATOM 1039 O LYS A 65 -2.481 -11.457 -8.002 1.00 0.00 O ATOM 1040 CB LYS A 65 -2.516 -14.402 -9.355 1.00 0.00 C ATOM 1041 CG LYS A 65 -2.815 -13.886 -10.753 1.00 0.00 C ATOM 1042 CD LYS A 65 -4.102 -13.076 -10.785 1.00 0.00 C ATOM 1043 CE LYS A 65 -3.823 -11.584 -10.692 1.00 0.00 C ATOM 1044 NZ LYS A 65 -3.827 -10.933 -12.031 1.00 0.00 N ATOM 0 H LYS A 65 -0.873 -15.390 -7.780 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.911 -12.969 -9.311 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.153 -15.427 -9.425 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.442 -14.431 -8.781 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.986 -13.268 -11.099 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -2.895 -14.726 -11.443 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.645 -13.289 -11.706 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.745 -13.379 -9.959 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.574 -11.113 -10.057 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.856 -11.425 -10.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.633 -9.917 -11.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.093 -11.364 -12.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -4.757 -11.062 -12.477 1.00 0.00 H new ATOM 1058 N ALA A 66 -2.482 -13.074 -6.439 1.00 0.00 N ATOM 1059 CA ALA A 66 -3.158 -12.257 -5.438 1.00 0.00 C ATOM 1060 C ALA A 66 -2.219 -11.203 -4.864 1.00 0.00 C ATOM 1061 O ALA A 66 -2.616 -10.061 -4.635 1.00 0.00 O ATOM 1062 CB ALA A 66 -3.712 -13.136 -4.327 1.00 0.00 C ATOM 0 H ALA A 66 -2.255 -14.019 -6.129 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.986 -11.741 -5.924 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.214 -12.513 -3.587 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.424 -13.847 -4.746 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.895 -13.679 -3.851 1.00 0.00 H new ATOM 1068 N LEU A 67 -0.971 -11.596 -4.633 1.00 0.00 N ATOM 1069 CA LEU A 67 0.027 -10.687 -4.083 1.00 0.00 C ATOM 1070 C LEU A 67 0.519 -9.705 -5.143 1.00 0.00 C ATOM 1071 O LEU A 67 0.893 -8.575 -4.830 1.00 0.00 O ATOM 1072 CB LEU A 67 1.200 -11.478 -3.510 1.00 0.00 C ATOM 1073 CG LEU A 67 1.508 -11.203 -2.038 1.00 0.00 C ATOM 1074 CD1 LEU A 67 1.756 -9.720 -1.813 1.00 0.00 C ATOM 1075 CD2 LEU A 67 0.368 -11.698 -1.159 1.00 0.00 C ATOM 0 H LEU A 67 -0.627 -12.538 -4.818 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.440 -10.114 -3.282 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.994 -12.542 -3.630 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.090 -11.257 -4.099 1.00 0.00 H new ATOM 0 HG LEU A 67 2.414 -11.744 -1.765 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.974 -9.543 -0.760 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.603 -9.397 -2.418 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.869 -9.155 -2.100 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.601 -11.496 -0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.553 -11.182 -1.432 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.239 -12.771 -1.301 1.00 0.00 H new ATOM 1087 N GLN A 68 0.518 -10.147 -6.397 1.00 0.00 N ATOM 1088 CA GLN A 68 0.967 -9.310 -7.503 1.00 0.00 C ATOM 1089 C GLN A 68 0.097 -8.064 -7.634 1.00 0.00 C ATOM 1090 O GLN A 68 0.595 -6.975 -7.916 1.00 0.00 O ATOM 1091 CB GLN A 68 0.943 -10.103 -8.811 1.00 0.00 C ATOM 1092 CG GLN A 68 2.242 -10.840 -9.099 1.00 0.00 C ATOM 1093 CD GLN A 68 2.105 -11.840 -10.230 1.00 0.00 C ATOM 1094 OE1 GLN A 68 1.663 -12.970 -10.024 1.00 0.00 O ATOM 1095 NE2 GLN A 68 2.485 -11.428 -11.434 1.00 0.00 N ATOM 0 H GLN A 68 0.211 -11.080 -6.672 1.00 0.00 H new ATOM 0 HA GLN A 68 1.989 -8.995 -7.295 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.126 -10.824 -8.774 1.00 0.00 H new ATOM 0 HB3 GLN A 68 0.731 -9.422 -9.635 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.018 -10.117 -9.350 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.569 -11.359 -8.198 1.00 0.00 H new ATOM 0 HE21 GLN A 68 2.846 -10.482 -11.559 1.00 0.00 H new ATOM 0 HE22 GLN A 68 2.416 -12.057 -12.234 1.00 0.00 H new ATOM 1104 N GLU A 69 -1.205 -8.232 -7.429 1.00 0.00 N ATOM 1105 CA GLU A 69 -2.143 -7.119 -7.526 1.00 0.00 C ATOM 1106 C GLU A 69 -2.035 -6.208 -6.315 1.00 0.00 C ATOM 1107 O GLU A 69 -2.268 -5.002 -6.409 1.00 0.00 O ATOM 1108 CB GLU A 69 -3.576 -7.632 -7.677 1.00 0.00 C ATOM 1109 CG GLU A 69 -4.606 -6.524 -7.829 1.00 0.00 C ATOM 1110 CD GLU A 69 -4.803 -6.106 -9.272 1.00 0.00 C ATOM 1111 OE1 GLU A 69 -3.831 -5.621 -9.889 1.00 0.00 O ATOM 1112 OE2 GLU A 69 -5.931 -6.264 -9.788 1.00 0.00 O ATOM 0 H GLU A 69 -1.635 -9.127 -7.195 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.885 -6.541 -8.413 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.629 -8.287 -8.546 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.830 -8.236 -6.806 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.558 -6.859 -7.418 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.293 -5.659 -7.244 1.00 0.00 H new ATOM 1119 N LEU A 70 -1.667 -6.785 -5.179 1.00 0.00 N ATOM 1120 CA LEU A 70 -1.513 -6.018 -3.952 1.00 0.00 C ATOM 1121 C LEU A 70 -0.607 -4.814 -4.194 1.00 0.00 C ATOM 1122 O LEU A 70 -0.739 -3.780 -3.541 1.00 0.00 O ATOM 1123 CB LEU A 70 -0.935 -6.898 -2.841 1.00 0.00 C ATOM 1124 CG LEU A 70 -1.564 -6.695 -1.461 1.00 0.00 C ATOM 1125 CD1 LEU A 70 -1.433 -7.958 -0.625 1.00 0.00 C ATOM 1126 CD2 LEU A 70 -0.920 -5.514 -0.751 1.00 0.00 C ATOM 0 H LEU A 70 -1.470 -7.781 -5.082 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.495 -5.663 -3.639 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.054 -7.943 -3.127 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.136 -6.707 -2.767 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.624 -6.480 -1.593 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.886 -7.795 0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.941 -8.781 -1.128 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.378 -8.204 -0.500 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.379 -5.384 0.229 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.147 -5.700 -0.630 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.066 -4.610 -1.343 1.00 0.00 H new ATOM 1138 N ARG A 71 0.314 -4.964 -5.144 1.00 0.00 N ATOM 1139 CA ARG A 71 1.246 -3.894 -5.480 1.00 0.00 C ATOM 1140 C ARG A 71 0.524 -2.733 -6.154 1.00 0.00 C ATOM 1141 O ARG A 71 0.803 -1.567 -5.873 1.00 0.00 O ATOM 1142 CB ARG A 71 2.353 -4.422 -6.393 1.00 0.00 C ATOM 1143 CG ARG A 71 3.714 -3.800 -6.123 1.00 0.00 C ATOM 1144 CD ARG A 71 4.744 -4.245 -7.148 1.00 0.00 C ATOM 1145 NE ARG A 71 5.843 -3.291 -7.269 1.00 0.00 N ATOM 1146 CZ ARG A 71 7.022 -3.584 -7.812 1.00 0.00 C ATOM 1147 NH1 ARG A 71 7.260 -4.801 -8.285 1.00 0.00 N ATOM 1148 NH2 ARG A 71 7.968 -2.656 -7.883 1.00 0.00 N ATOM 0 H ARG A 71 0.433 -5.815 -5.693 1.00 0.00 H new ATOM 0 HA ARG A 71 1.691 -3.531 -4.554 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.427 -5.503 -6.273 1.00 0.00 H new ATOM 0 HB3 ARG A 71 2.077 -4.235 -7.431 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.628 -2.714 -6.140 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.050 -4.078 -5.124 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.140 -5.220 -6.864 1.00 0.00 H new ATOM 0 HD3 ARG A 71 4.261 -4.367 -8.118 1.00 0.00 H new ATOM 0 HE ARG A 71 5.698 -2.345 -6.917 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.537 -5.519 -8.234 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.166 -5.019 -8.700 1.00 0.00 H new ATOM 0 HH21 ARG A 71 7.791 -1.719 -7.521 1.00 0.00 H new ATOM 0 HH22 ARG A 71 8.872 -2.880 -8.299 1.00 0.00 H new ATOM 1162 N GLN A 72 -0.404 -3.059 -7.049 1.00 0.00 N ATOM 1163 CA GLN A 72 -1.164 -2.042 -7.767 1.00 0.00 C ATOM 1164 C GLN A 72 -1.956 -1.169 -6.800 1.00 0.00 C ATOM 1165 O GLN A 72 -1.982 0.054 -6.931 1.00 0.00 O ATOM 1166 CB GLN A 72 -2.112 -2.699 -8.771 1.00 0.00 C ATOM 1167 CG GLN A 72 -1.398 -3.371 -9.933 1.00 0.00 C ATOM 1168 CD GLN A 72 -2.161 -3.243 -11.238 1.00 0.00 C ATOM 1169 OE1 GLN A 72 -3.367 -3.485 -11.290 1.00 0.00 O ATOM 1170 NE2 GLN A 72 -1.459 -2.863 -12.299 1.00 0.00 N ATOM 0 H GLN A 72 -0.647 -4.019 -7.294 1.00 0.00 H new ATOM 0 HA GLN A 72 -0.458 -1.409 -8.304 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -2.721 -3.440 -8.252 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.794 -1.944 -9.162 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.408 -2.930 -10.050 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -1.252 -4.427 -9.704 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -0.461 -2.673 -12.209 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -1.918 -2.761 -13.204 1.00 0.00 H new ATOM 1179 N GLU A 73 -2.600 -1.806 -5.827 1.00 0.00 N ATOM 1180 CA GLU A 73 -3.393 -1.086 -4.837 1.00 0.00 C ATOM 1181 C GLU A 73 -2.525 -0.104 -4.056 1.00 0.00 C ATOM 1182 O GLU A 73 -2.850 1.079 -3.950 1.00 0.00 O ATOM 1183 CB GLU A 73 -4.063 -2.070 -3.876 1.00 0.00 C ATOM 1184 CG GLU A 73 -4.864 -3.154 -4.578 1.00 0.00 C ATOM 1185 CD GLU A 73 -6.359 -2.910 -4.512 1.00 0.00 C ATOM 1186 OE1 GLU A 73 -6.833 -1.948 -5.153 1.00 0.00 O ATOM 1187 OE2 GLU A 73 -7.056 -3.679 -3.817 1.00 0.00 O ATOM 0 H GLU A 73 -2.588 -2.818 -5.703 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.163 -0.523 -5.364 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.298 -2.538 -3.257 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.722 -1.519 -3.206 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.555 -3.211 -5.622 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.637 -4.119 -4.125 1.00 0.00 H new ATOM 1194 N LEU A 74 -1.421 -0.604 -3.509 1.00 0.00 N ATOM 1195 CA LEU A 74 -0.506 0.229 -2.737 1.00 0.00 C ATOM 1196 C LEU A 74 0.213 1.228 -3.636 1.00 0.00 C ATOM 1197 O LEU A 74 0.526 2.342 -3.217 1.00 0.00 O ATOM 1198 CB LEU A 74 0.515 -0.643 -2.003 1.00 0.00 C ATOM 1199 CG LEU A 74 -0.084 -1.738 -1.120 1.00 0.00 C ATOM 1200 CD1 LEU A 74 1.014 -2.492 -0.386 1.00 0.00 C ATOM 1201 CD2 LEU A 74 -1.074 -1.141 -0.132 1.00 0.00 C ATOM 0 H LEU A 74 -1.139 -1.581 -3.586 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.092 0.785 -2.005 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.168 -1.109 -2.740 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.141 -0.000 -1.384 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.616 -2.443 -1.758 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.569 -3.267 0.237 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.687 -2.951 -1.110 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.574 -1.799 0.242 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.491 -1.934 0.489 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.564 -0.415 0.501 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.878 -0.646 -0.677 1.00 0.00 H new ATOM 1213 N ASN A 75 0.474 0.822 -4.875 1.00 0.00 N ATOM 1214 CA ASN A 75 1.158 1.683 -5.834 1.00 0.00 C ATOM 1215 C ASN A 75 0.370 2.966 -6.074 1.00 0.00 C ATOM 1216 O ASN A 75 0.919 4.065 -6.007 1.00 0.00 O ATOM 1217 CB ASN A 75 1.366 0.943 -7.156 1.00 0.00 C ATOM 1218 CG ASN A 75 2.142 1.768 -8.165 1.00 0.00 C ATOM 1219 OD1 ASN A 75 3.300 2.120 -7.938 1.00 0.00 O ATOM 1220 ND2 ASN A 75 1.505 2.080 -9.288 1.00 0.00 N ATOM 0 H ASN A 75 0.222 -0.097 -5.238 1.00 0.00 H new ATOM 0 HA ASN A 75 2.129 1.949 -5.417 1.00 0.00 H new ATOM 0 HB2 ASN A 75 1.898 0.010 -6.967 1.00 0.00 H new ATOM 0 HB3 ASN A 75 0.396 0.677 -7.577 1.00 0.00 H new ATOM 0 HD21 ASN A 75 1.976 2.633 -10.005 1.00 0.00 H new ATOM 0 HD22 ASN A 75 0.545 1.767 -9.434 1.00 0.00 H new ATOM 1227 N THR A 76 -0.921 2.818 -6.355 1.00 0.00 N ATOM 1228 CA THR A 76 -1.784 3.962 -6.605 1.00 0.00 C ATOM 1229 C THR A 76 -2.145 4.676 -5.312 1.00 0.00 C ATOM 1230 O THR A 76 -2.247 5.900 -5.282 1.00 0.00 O ATOM 1231 CB THR A 76 -3.060 3.541 -7.310 1.00 0.00 C ATOM 1232 OG1 THR A 76 -3.482 2.258 -6.879 1.00 0.00 O ATOM 1233 CG2 THR A 76 -2.937 3.513 -8.819 1.00 0.00 C ATOM 0 H THR A 76 -1.391 1.915 -6.415 1.00 0.00 H new ATOM 0 HA THR A 76 -1.226 4.645 -7.246 1.00 0.00 H new ATOM 0 HB THR A 76 -3.794 4.301 -7.042 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.947 1.570 -7.327 1.00 0.00 H new ATOM 0 HG21 THR A 76 -3.887 3.204 -9.256 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.678 4.508 -9.181 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.158 2.807 -9.108 1.00 0.00 H new ATOM 1241 N LEU A 77 -2.350 3.911 -4.245 1.00 0.00 N ATOM 1242 CA LEU A 77 -2.710 4.492 -2.956 1.00 0.00 C ATOM 1243 C LEU A 77 -1.748 5.621 -2.613 1.00 0.00 C ATOM 1244 O LEU A 77 -2.109 6.583 -1.934 1.00 0.00 O ATOM 1245 CB LEU A 77 -2.683 3.425 -1.860 1.00 0.00 C ATOM 1246 CG LEU A 77 -4.001 2.677 -1.650 1.00 0.00 C ATOM 1247 CD1 LEU A 77 -3.755 1.347 -0.956 1.00 0.00 C ATOM 1248 CD2 LEU A 77 -4.972 3.529 -0.847 1.00 0.00 C ATOM 0 H LEU A 77 -2.274 2.894 -4.246 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.722 4.892 -3.022 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.906 2.700 -2.100 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.398 3.898 -0.920 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.444 2.476 -2.625 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.704 0.829 -0.815 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.094 0.734 -1.569 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.290 1.523 0.014 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.905 2.983 -0.706 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.536 3.759 0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.172 4.456 -1.384 1.00 0.00 H new ATOM 1260 N ALA A 78 -0.525 5.500 -3.111 1.00 0.00 N ATOM 1261 CA ALA A 78 0.497 6.509 -2.898 1.00 0.00 C ATOM 1262 C ALA A 78 0.206 7.776 -3.707 1.00 0.00 C ATOM 1263 O ALA A 78 0.618 8.869 -3.321 1.00 0.00 O ATOM 1264 CB ALA A 78 1.867 5.954 -3.257 1.00 0.00 C ATOM 0 H ALA A 78 -0.217 4.704 -3.670 1.00 0.00 H new ATOM 0 HA ALA A 78 0.489 6.778 -1.842 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.624 6.720 -3.093 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.085 5.089 -2.631 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.875 5.655 -4.305 1.00 0.00 H new ATOM 1270 N ASN A 79 -0.482 7.626 -4.847 1.00 0.00 N ATOM 1271 CA ASN A 79 -0.782 8.775 -5.705 1.00 0.00 C ATOM 1272 C ASN A 79 -1.538 9.871 -4.949 1.00 0.00 C ATOM 1273 O ASN A 79 -1.100 11.021 -4.917 1.00 0.00 O ATOM 1274 CB ASN A 79 -1.589 8.329 -6.927 1.00 0.00 C ATOM 1275 CG ASN A 79 -0.965 8.787 -8.230 1.00 0.00 C ATOM 1276 OD1 ASN A 79 -1.621 9.422 -9.058 1.00 0.00 O ATOM 1277 ND2 ASN A 79 0.310 8.467 -8.421 1.00 0.00 N ATOM 0 H ASN A 79 -0.836 6.733 -5.191 1.00 0.00 H new ATOM 0 HA ASN A 79 0.169 9.194 -6.033 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.670 7.242 -6.928 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.602 8.724 -6.854 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.783 8.748 -9.280 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.816 7.940 -7.709 1.00 0.00 H new ATOM 1284 N PRO A 80 -2.684 9.536 -4.330 1.00 0.00 N ATOM 1285 CA PRO A 80 -3.484 10.510 -3.579 1.00 0.00 C ATOM 1286 C PRO A 80 -2.655 11.270 -2.549 1.00 0.00 C ATOM 1287 O PRO A 80 -2.820 12.477 -2.372 1.00 0.00 O ATOM 1288 CB PRO A 80 -4.535 9.647 -2.880 1.00 0.00 C ATOM 1289 CG PRO A 80 -4.656 8.430 -3.728 1.00 0.00 C ATOM 1290 CD PRO A 80 -3.294 8.196 -4.321 1.00 0.00 C ATOM 0 HA PRO A 80 -3.905 11.276 -4.230 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -4.227 9.393 -1.866 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -5.488 10.171 -2.802 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -4.975 7.573 -3.135 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -5.402 8.573 -4.510 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -2.712 7.495 -3.723 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.361 7.779 -5.326 1.00 0.00 H new ATOM 1298 N PHE A 81 -1.762 10.555 -1.871 1.00 0.00 N ATOM 1299 CA PHE A 81 -0.908 11.163 -0.857 1.00 0.00 C ATOM 1300 C PHE A 81 0.222 11.959 -1.502 1.00 0.00 C ATOM 1301 O PHE A 81 0.505 13.089 -1.104 1.00 0.00 O ATOM 1302 CB PHE A 81 -0.329 10.087 0.063 1.00 0.00 C ATOM 1303 CG PHE A 81 0.230 10.632 1.346 1.00 0.00 C ATOM 1304 CD1 PHE A 81 -0.498 11.532 2.107 1.00 0.00 C ATOM 1305 CD2 PHE A 81 1.483 10.242 1.792 1.00 0.00 C ATOM 1306 CE1 PHE A 81 0.014 12.035 3.288 1.00 0.00 C ATOM 1307 CE2 PHE A 81 1.999 10.740 2.973 1.00 0.00 C ATOM 1308 CZ PHE A 81 1.264 11.639 3.722 1.00 0.00 C ATOM 0 H PHE A 81 -1.611 9.555 -2.005 1.00 0.00 H new ATOM 0 HA PHE A 81 -1.518 11.847 -0.267 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -1.108 9.361 0.295 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.458 9.551 -0.468 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -1.477 11.844 1.774 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.063 9.541 1.210 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -0.563 12.737 3.871 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.976 10.427 3.310 1.00 0.00 H new ATOM 0 HZ PHE A 81 1.666 12.031 4.645 1.00 0.00 H new ATOM 1318 N LEU A 82 0.867 11.360 -2.498 1.00 0.00 N ATOM 1319 CA LEU A 82 1.967 12.013 -3.199 1.00 0.00 C ATOM 1320 C LEU A 82 1.495 13.292 -3.883 1.00 0.00 C ATOM 1321 O LEU A 82 2.134 14.338 -3.773 1.00 0.00 O ATOM 1322 CB LEU A 82 2.578 11.062 -4.230 1.00 0.00 C ATOM 1323 CG LEU A 82 3.637 10.105 -3.682 1.00 0.00 C ATOM 1324 CD1 LEU A 82 3.842 8.936 -4.633 1.00 0.00 C ATOM 1325 CD2 LEU A 82 4.948 10.840 -3.447 1.00 0.00 C ATOM 0 H LEU A 82 0.647 10.424 -2.838 1.00 0.00 H new ATOM 0 HA LEU A 82 2.727 12.277 -2.464 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.777 10.474 -4.679 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.025 11.655 -5.028 1.00 0.00 H new ATOM 0 HG LEU A 82 3.287 9.713 -2.727 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.599 8.265 -4.227 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.903 8.395 -4.752 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.171 9.309 -5.603 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.691 10.144 -3.057 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.303 11.260 -4.388 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.791 11.644 -2.727 1.00 0.00 H new ATOM 1337 N ALA A 83 0.375 13.199 -4.592 1.00 0.00 N ATOM 1338 CA ALA A 83 -0.182 14.349 -5.295 1.00 0.00 C ATOM 1339 C ALA A 83 -0.498 15.484 -4.329 1.00 0.00 C ATOM 1340 O ALA A 83 -0.280 16.656 -4.640 1.00 0.00 O ATOM 1341 CB ALA A 83 -1.432 13.942 -6.061 1.00 0.00 C ATOM 0 H ALA A 83 -0.165 12.340 -4.695 1.00 0.00 H new ATOM 0 HA ALA A 83 0.565 14.708 -6.003 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.838 14.809 -6.581 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.179 13.169 -6.787 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.176 13.556 -5.364 1.00 0.00 H new ATOM 1347 N LYS A 84 -1.013 15.131 -3.156 1.00 0.00 N ATOM 1348 CA LYS A 84 -1.360 16.123 -2.144 1.00 0.00 C ATOM 1349 C LYS A 84 -0.106 16.683 -1.479 1.00 0.00 C ATOM 1350 O LYS A 84 0.009 17.890 -1.266 1.00 0.00 O ATOM 1351 CB LYS A 84 -2.277 15.503 -1.088 1.00 0.00 C ATOM 1352 CG LYS A 84 -3.754 15.594 -1.437 1.00 0.00 C ATOM 1353 CD LYS A 84 -4.612 15.745 -0.193 1.00 0.00 C ATOM 1354 CE LYS A 84 -5.994 16.279 -0.531 1.00 0.00 C ATOM 1355 NZ LYS A 84 -6.992 15.185 -0.684 1.00 0.00 N ATOM 0 H LYS A 84 -1.199 14.166 -2.882 1.00 0.00 H new ATOM 0 HA LYS A 84 -1.885 16.942 -2.637 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.007 14.455 -0.954 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -2.106 16.000 -0.133 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -3.921 16.443 -2.100 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -4.056 14.700 -1.982 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -4.706 14.780 0.305 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -4.122 16.420 0.509 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -6.321 16.961 0.254 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -5.944 16.856 -1.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -7.921 15.592 -0.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -6.694 14.548 -1.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -7.059 14.650 0.205 1.00 0.00 H new ATOM 1369 N TYR A 85 0.830 15.799 -1.154 1.00 0.00 N ATOM 1370 CA TYR A 85 2.076 16.205 -0.512 1.00 0.00 C ATOM 1371 C TYR A 85 2.852 17.178 -1.394 1.00 0.00 C ATOM 1372 O TYR A 85 3.287 18.234 -0.937 1.00 0.00 O ATOM 1373 CB TYR A 85 2.937 14.978 -0.199 1.00 0.00 C ATOM 1374 CG TYR A 85 3.182 14.770 1.278 1.00 0.00 C ATOM 1375 CD1 TYR A 85 2.122 14.618 2.163 1.00 0.00 C ATOM 1376 CD2 TYR A 85 4.473 14.726 1.788 1.00 0.00 C ATOM 1377 CE1 TYR A 85 2.342 14.429 3.514 1.00 0.00 C ATOM 1378 CE2 TYR A 85 4.702 14.536 3.137 1.00 0.00 C ATOM 1379 CZ TYR A 85 3.634 14.389 3.996 1.00 0.00 C ATOM 1380 OH TYR A 85 3.856 14.200 5.341 1.00 0.00 O ATOM 0 H TYR A 85 0.750 14.796 -1.324 1.00 0.00 H new ATOM 0 HA TYR A 85 1.827 16.711 0.421 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.452 14.091 -0.607 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.896 15.079 -0.707 1.00 0.00 H new ATOM 0 HD1 TYR A 85 1.109 14.648 1.789 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.312 14.842 1.118 1.00 0.00 H new ATOM 0 HE1 TYR A 85 1.507 14.313 4.189 1.00 0.00 H new ATOM 0 HE2 TYR A 85 5.713 14.503 3.517 1.00 0.00 H new ATOM 0 HH TYR A 85 4.820 14.196 5.516 1.00 0.00 H new ATOM 1390 N ARG A 86 3.021 16.815 -2.662 1.00 0.00 N ATOM 1391 CA ARG A 86 3.745 17.656 -3.608 1.00 0.00 C ATOM 1392 C ARG A 86 3.079 19.021 -3.744 1.00 0.00 C ATOM 1393 O ARG A 86 3.753 20.040 -3.896 1.00 0.00 O ATOM 1394 CB ARG A 86 3.820 16.973 -4.975 1.00 0.00 C ATOM 1395 CG ARG A 86 5.140 17.194 -5.694 1.00 0.00 C ATOM 1396 CD ARG A 86 5.544 15.973 -6.505 1.00 0.00 C ATOM 1397 NE ARG A 86 6.991 15.891 -6.691 1.00 0.00 N ATOM 1398 CZ ARG A 86 7.633 14.776 -7.035 1.00 0.00 C ATOM 1399 NH1 ARG A 86 6.960 13.648 -7.232 1.00 0.00 N ATOM 1400 NH2 ARG A 86 8.950 14.790 -7.183 1.00 0.00 N ATOM 0 H ARG A 86 2.666 15.944 -3.058 1.00 0.00 H new ATOM 0 HA ARG A 86 4.755 17.802 -3.226 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.661 15.902 -4.846 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.008 17.343 -5.602 1.00 0.00 H new ATOM 0 HG2 ARG A 86 5.056 18.058 -6.353 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.918 17.422 -4.966 1.00 0.00 H new ATOM 0 HD2 ARG A 86 5.192 15.072 -6.003 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.055 16.007 -7.479 1.00 0.00 H new ATOM 0 HE ARG A 86 7.542 16.738 -6.549 1.00 0.00 H new ATOM 0 HH11 ARG A 86 5.946 13.633 -7.120 1.00 0.00 H new ATOM 0 HH12 ARG A 86 7.457 12.797 -7.495 1.00 0.00 H new ATOM 0 HH21 ARG A 86 9.471 15.654 -7.033 1.00 0.00 H new ATOM 0 HH22 ARG A 86 9.443 13.937 -7.446 1.00 0.00 H new ATOM 1414 N ASP A 87 1.751 19.035 -3.690 1.00 0.00 N ATOM 1415 CA ASP A 87 0.994 20.275 -3.807 1.00 0.00 C ATOM 1416 C ASP A 87 1.014 21.052 -2.494 1.00 0.00 C ATOM 1417 O ASP A 87 0.970 22.282 -2.489 1.00 0.00 O ATOM 1418 CB ASP A 87 -0.450 19.978 -4.215 1.00 0.00 C ATOM 1419 CG ASP A 87 -1.122 21.169 -4.869 1.00 0.00 C ATOM 1420 OD1 ASP A 87 -0.536 21.738 -5.814 1.00 0.00 O ATOM 1421 OD2 ASP A 87 -2.235 21.535 -4.437 1.00 0.00 O ATOM 0 H ASP A 87 1.177 18.201 -3.566 1.00 0.00 H new ATOM 0 HA ASP A 87 1.464 20.887 -4.577 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -0.464 19.133 -4.904 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -1.020 19.681 -3.335 1.00 0.00 H new ATOM 1426 N PHE A 88 1.078 20.325 -1.383 1.00 0.00 N ATOM 1427 CA PHE A 88 1.101 20.947 -0.063 1.00 0.00 C ATOM 1428 C PHE A 88 2.497 21.459 0.276 1.00 0.00 C ATOM 1429 O PHE A 88 2.679 22.638 0.580 1.00 0.00 O ATOM 1430 CB PHE A 88 0.639 19.950 1.001 1.00 0.00 C ATOM 1431 CG PHE A 88 -0.122 20.586 2.130 1.00 0.00 C ATOM 1432 CD1 PHE A 88 0.486 21.523 2.949 1.00 0.00 C ATOM 1433 CD2 PHE A 88 -1.442 20.245 2.371 1.00 0.00 C ATOM 1434 CE1 PHE A 88 -0.210 22.110 3.989 1.00 0.00 C ATOM 1435 CE2 PHE A 88 -2.144 20.827 3.409 1.00 0.00 C ATOM 1436 CZ PHE A 88 -1.528 21.761 4.219 1.00 0.00 C ATOM 0 H PHE A 88 1.115 19.306 -1.370 1.00 0.00 H new ATOM 0 HA PHE A 88 0.418 21.796 -0.078 1.00 0.00 H new ATOM 0 HB2 PHE A 88 0.010 19.194 0.530 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.509 19.434 1.406 1.00 0.00 H new ATOM 0 HD1 PHE A 88 1.515 21.798 2.773 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -1.929 19.516 1.740 1.00 0.00 H new ATOM 0 HE1 PHE A 88 0.275 22.840 4.621 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -3.173 20.552 3.587 1.00 0.00 H new ATOM 0 HZ PHE A 88 -2.075 22.218 5.031 1.00 0.00 H new ATOM 1446 N LEU A 89 3.479 20.566 0.223 1.00 0.00 N ATOM 1447 CA LEU A 89 4.859 20.929 0.529 1.00 0.00 C ATOM 1448 C LEU A 89 5.559 21.495 -0.703 1.00 0.00 C ATOM 1449 O LEU A 89 5.903 22.676 -0.745 1.00 0.00 O ATOM 1450 CB LEU A 89 5.626 19.713 1.054 1.00 0.00 C ATOM 1451 CG LEU A 89 4.833 18.807 1.999 1.00 0.00 C ATOM 1452 CD1 LEU A 89 5.674 17.611 2.419 1.00 0.00 C ATOM 1453 CD2 LEU A 89 4.365 19.588 3.217 1.00 0.00 C ATOM 0 H LEU A 89 3.346 19.587 -0.029 1.00 0.00 H new ATOM 0 HA LEU A 89 4.843 21.699 1.301 1.00 0.00 H new ATOM 0 HB2 LEU A 89 5.963 19.120 0.204 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.519 20.062 1.573 1.00 0.00 H new ATOM 0 HG LEU A 89 3.954 18.439 1.470 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.095 16.977 3.091 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.959 17.039 1.536 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.571 17.959 2.931 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.803 18.928 3.878 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.230 19.984 3.749 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.727 20.412 2.898 1.00 0.00 H new ATOM 1465 N LYS A 90 5.770 20.644 -1.703 1.00 0.00 N ATOM 1466 CA LYS A 90 6.431 21.061 -2.935 1.00 0.00 C ATOM 1467 C LYS A 90 6.489 19.913 -3.936 1.00 0.00 C ATOM 1468 O LYS A 90 6.009 20.097 -5.074 1.00 0.00 O ATOM 1469 CB LYS A 90 7.845 21.564 -2.634 1.00 0.00 C ATOM 1470 CG LYS A 90 8.587 22.061 -3.865 1.00 0.00 C ATOM 1471 CD LYS A 90 10.090 21.876 -3.720 1.00 0.00 C ATOM 1472 CE LYS A 90 10.573 20.641 -4.462 1.00 0.00 C ATOM 1473 NZ LYS A 90 10.982 20.955 -5.858 1.00 0.00 N ATOM 1474 OXT LYS A 90 7.016 18.839 -3.574 1.00 1.00 O ATOM 0 H LYS A 90 5.493 19.663 -1.684 1.00 0.00 H new ATOM 0 HA LYS A 90 5.850 21.872 -3.374 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.787 22.371 -1.904 1.00 0.00 H new ATOM 0 HB3 LYS A 90 8.418 20.759 -2.174 1.00 0.00 H new ATOM 0 HG2 LYS A 90 8.236 21.523 -4.745 1.00 0.00 H new ATOM 0 HG3 LYS A 90 8.363 23.115 -4.026 1.00 0.00 H new ATOM 0 HD2 LYS A 90 10.605 22.757 -4.104 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.347 21.791 -2.664 1.00 0.00 H new ATOM 0 HE2 LYS A 90 11.416 20.203 -3.927 1.00 0.00 H new ATOM 0 HE3 LYS A 90 9.780 19.893 -4.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 11.305 20.086 -6.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 10.172 21.349 -6.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 11.756 21.650 -5.845 1.00 0.00 H new