USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 638 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 21 ASN : amide:sc= 0.0276 K(o=-0.81,f=-2.3) USER MOD Set 1.2: A 25 LYS NZ :NH3+ -177:sc= -0.841! (180deg=-1.01!) USER MOD Single : A 7 ASN :FLIP amide:sc= -0.48 F(o=-4.9!,f=-0.48) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot -150:sc= -1.13 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -99:sc= 1.3 USER MOD Single : A 23 MET CE :methyl -149:sc= -0.362 (180deg=-1.24) USER MOD Single : A 26 THR OG1 : rot -16:sc= 0.567 USER MOD Single : A 28 SER OG : rot -20:sc= 1.28 USER MOD Single : A 30 GLN : amide:sc= -0.0241 X(o=-0.024,f=-0.041) USER MOD Single : A 38 MET CE :methyl -154:sc= -0.219 (180deg=-1.95) USER MOD Single : A 40 ASN : amide:sc= 0.38 K(o=0.38,f=-0.2) USER MOD Single : A 42 SER OG : rot -75:sc= 1.51 USER MOD Single : A 45 SER OG : rot 135:sc= 1.21 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -1.6 K(o=-1.6,f=-2.4) USER MOD Single : A 53 SER OG : rot 180:sc= 0.0165 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc=-0.00103 K(o=-0.001,f=-2.8!) USER MOD Single : A 66 GLN : amide:sc= -0.441 X(o=-0.44,f=-0.38) USER MOD Single : A 70 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0519) USER MOD Single : A 73 GLN : amide:sc= -0.217 K(o=-0.22,f=-0.77) USER MOD Single : A 74 MET CE :methyl 168:sc= -0.0199 (180deg=-0.244) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 74:sc= -0.755 USER MOD Single : A 84 MET CE :methyl 162:sc= -1.13 (180deg=-1.4) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 7 14.770 -19.632 -2.318 1.00 0.00 N ATOM 2 CA ASN A 7 15.668 -19.262 -1.219 1.00 0.00 C ATOM 3 C ASN A 7 14.889 -18.706 -0.026 1.00 0.00 C ATOM 4 O ASN A 7 15.475 -18.272 0.969 1.00 0.00 O ATOM 5 CB ASN A 7 16.799 -18.291 -1.674 1.00 0.00 C ATOM 6 CG ASN A 7 16.332 -16.948 -2.254 1.00 0.00 C ATOM 7 OD1 ASN A 7 15.282 -16.367 -1.702 1.00 0.00 O flip ATOM 8 ND2 ASN A 7 16.948 -16.425 -3.182 1.00 0.00 N flip ATOM 0 HA ASN A 7 16.162 -20.178 -0.893 1.00 0.00 H new ATOM 0 HB2 ASN A 7 17.446 -18.091 -0.820 1.00 0.00 H new ATOM 0 HB3 ASN A 7 17.407 -18.797 -2.423 1.00 0.00 H new ATOM 0 HD21 ASN A 7 17.755 -16.897 -3.589 1.00 0.00 H new ATOM 0 HD22 ASN A 7 16.651 -15.519 -3.545 1.00 0.00 H new ATOM 15 N GLY A 8 13.565 -18.703 -0.142 1.00 0.00 N ATOM 16 CA GLY A 8 12.722 -18.275 0.955 1.00 0.00 C ATOM 17 C GLY A 8 12.574 -16.778 1.039 1.00 0.00 C ATOM 18 O GLY A 8 12.597 -16.208 2.126 1.00 0.00 O ATOM 0 H GLY A 8 13.061 -18.991 -0.981 1.00 0.00 H new ATOM 0 HA2 GLY A 8 11.736 -18.726 0.844 1.00 0.00 H new ATOM 0 HA3 GLY A 8 13.139 -18.646 1.891 1.00 0.00 H new ATOM 22 N LEU A 9 12.431 -16.138 -0.107 1.00 0.00 N ATOM 23 CA LEU A 9 12.256 -14.695 -0.146 1.00 0.00 C ATOM 24 C LEU A 9 11.370 -14.293 -1.320 1.00 0.00 C ATOM 25 O LEU A 9 11.865 -13.904 -2.378 1.00 0.00 O ATOM 26 CB LEU A 9 13.615 -13.976 -0.225 1.00 0.00 C ATOM 27 CG LEU A 9 13.565 -12.442 -0.204 1.00 0.00 C ATOM 28 CD1 LEU A 9 13.006 -11.935 1.117 1.00 0.00 C ATOM 29 CD2 LEU A 9 14.950 -11.862 -0.459 1.00 0.00 C ATOM 0 H LEU A 9 12.432 -16.591 -1.021 1.00 0.00 H new ATOM 0 HA LEU A 9 11.765 -14.391 0.778 1.00 0.00 H new ATOM 0 HB2 LEU A 9 14.231 -14.311 0.610 1.00 0.00 H new ATOM 0 HB3 LEU A 9 14.118 -14.291 -1.139 1.00 0.00 H new ATOM 0 HG LEU A 9 12.899 -12.111 -1.001 1.00 0.00 H new ATOM 0 HD11 LEU A 9 12.981 -10.845 1.107 1.00 0.00 H new ATOM 0 HD12 LEU A 9 11.996 -12.320 1.256 1.00 0.00 H new ATOM 0 HD13 LEU A 9 13.640 -12.276 1.935 1.00 0.00 H new ATOM 0 HD21 LEU A 9 14.898 -10.773 -0.441 1.00 0.00 H new ATOM 0 HD22 LEU A 9 15.636 -12.205 0.315 1.00 0.00 H new ATOM 0 HD23 LEU A 9 15.309 -12.192 -1.434 1.00 0.00 H new ATOM 41 N PRO A 10 10.045 -14.427 -1.164 1.00 0.00 N ATOM 42 CA PRO A 10 9.085 -14.033 -2.193 1.00 0.00 C ATOM 43 C PRO A 10 9.041 -12.517 -2.352 1.00 0.00 C ATOM 44 O PRO A 10 9.471 -11.781 -1.459 1.00 0.00 O ATOM 45 CB PRO A 10 7.734 -14.552 -1.658 1.00 0.00 C ATOM 46 CG PRO A 10 8.084 -15.483 -0.545 1.00 0.00 C ATOM 47 CD PRO A 10 9.378 -14.985 0.017 1.00 0.00 C ATOM 0 HA PRO A 10 9.341 -14.435 -3.173 1.00 0.00 H new ATOM 0 HB2 PRO A 10 7.110 -13.732 -1.303 1.00 0.00 H new ATOM 0 HB3 PRO A 10 7.173 -15.065 -2.439 1.00 0.00 H new ATOM 0 HG2 PRO A 10 7.305 -15.491 0.217 1.00 0.00 H new ATOM 0 HG3 PRO A 10 8.184 -16.506 -0.909 1.00 0.00 H new ATOM 0 HD2 PRO A 10 9.222 -14.231 0.788 1.00 0.00 H new ATOM 0 HD3 PRO A 10 9.959 -15.788 0.470 1.00 0.00 H new ATOM 55 N SER A 11 8.518 -12.052 -3.478 1.00 0.00 N ATOM 56 CA SER A 11 8.437 -10.624 -3.752 1.00 0.00 C ATOM 57 C SER A 11 7.599 -9.899 -2.696 1.00 0.00 C ATOM 58 O SER A 11 7.876 -8.753 -2.365 1.00 0.00 O ATOM 59 CB SER A 11 7.874 -10.379 -5.146 1.00 0.00 C ATOM 60 OG SER A 11 8.681 -11.013 -6.126 1.00 0.00 O ATOM 0 H SER A 11 8.143 -12.645 -4.218 1.00 0.00 H new ATOM 0 HA SER A 11 9.448 -10.218 -3.708 1.00 0.00 H new ATOM 0 HB2 SER A 11 6.854 -10.759 -5.205 1.00 0.00 H new ATOM 0 HB3 SER A 11 7.827 -9.308 -5.343 1.00 0.00 H new ATOM 0 HG SER A 11 8.305 -10.848 -7.016 1.00 0.00 H new ATOM 66 N GLU A 12 6.587 -10.585 -2.161 1.00 0.00 N ATOM 67 CA GLU A 12 5.742 -10.016 -1.106 1.00 0.00 C ATOM 68 C GLU A 12 6.573 -9.686 0.133 1.00 0.00 C ATOM 69 O GLU A 12 6.326 -8.697 0.818 1.00 0.00 O ATOM 70 CB GLU A 12 4.626 -10.989 -0.723 1.00 0.00 C ATOM 71 CG GLU A 12 3.586 -11.212 -1.806 1.00 0.00 C ATOM 72 CD GLU A 12 2.512 -12.183 -1.370 1.00 0.00 C ATOM 73 OE1 GLU A 12 2.729 -13.407 -1.488 1.00 0.00 O ATOM 74 OE2 GLU A 12 1.455 -11.733 -0.885 1.00 0.00 O ATOM 0 H GLU A 12 6.332 -11.533 -2.439 1.00 0.00 H new ATOM 0 HA GLU A 12 5.299 -9.099 -1.494 1.00 0.00 H new ATOM 0 HB2 GLU A 12 5.072 -11.949 -0.462 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.127 -10.616 0.171 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.127 -10.259 -2.070 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.074 -11.591 -2.704 1.00 0.00 H new ATOM 81 N THR A 13 7.563 -10.520 0.398 1.00 0.00 N ATOM 82 CA THR A 13 8.432 -10.355 1.548 1.00 0.00 C ATOM 83 C THR A 13 9.598 -9.415 1.208 1.00 0.00 C ATOM 84 O THR A 13 10.354 -8.989 2.082 1.00 0.00 O ATOM 85 CB THR A 13 8.996 -11.725 1.971 1.00 0.00 C ATOM 86 OG1 THR A 13 7.977 -12.727 1.818 1.00 0.00 O ATOM 87 CG2 THR A 13 9.464 -11.705 3.420 1.00 0.00 C ATOM 0 H THR A 13 7.787 -11.331 -0.179 1.00 0.00 H new ATOM 0 HA THR A 13 7.852 -9.924 2.364 1.00 0.00 H new ATOM 0 HB THR A 13 9.851 -11.954 1.335 1.00 0.00 H new ATOM 0 HG1 THR A 13 8.115 -13.438 2.478 1.00 0.00 H new ATOM 0 HG21 THR A 13 9.857 -12.686 3.689 1.00 0.00 H new ATOM 0 HG22 THR A 13 10.246 -10.956 3.539 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.624 -11.460 4.070 1.00 0.00 H new ATOM 95 N TYR A 14 9.732 -9.107 -0.064 1.00 0.00 N ATOM 96 CA TYR A 14 10.812 -8.278 -0.549 1.00 0.00 C ATOM 97 C TYR A 14 10.340 -6.842 -0.859 1.00 0.00 C ATOM 98 O TYR A 14 11.154 -5.953 -1.113 1.00 0.00 O ATOM 99 CB TYR A 14 11.405 -8.953 -1.797 1.00 0.00 C ATOM 100 CG TYR A 14 12.477 -8.172 -2.509 1.00 0.00 C ATOM 101 CD1 TYR A 14 13.751 -8.054 -1.977 1.00 0.00 C ATOM 102 CD2 TYR A 14 12.212 -7.560 -3.723 1.00 0.00 C ATOM 103 CE1 TYR A 14 14.731 -7.344 -2.636 1.00 0.00 C ATOM 104 CE2 TYR A 14 13.181 -6.852 -4.388 1.00 0.00 C ATOM 105 CZ TYR A 14 14.440 -6.744 -3.843 1.00 0.00 C ATOM 106 OH TYR A 14 15.414 -6.033 -4.508 1.00 0.00 O ATOM 0 H TYR A 14 9.093 -9.426 -0.792 1.00 0.00 H new ATOM 0 HA TYR A 14 11.575 -8.184 0.224 1.00 0.00 H new ATOM 0 HB2 TYR A 14 11.817 -9.919 -1.505 1.00 0.00 H new ATOM 0 HB3 TYR A 14 10.596 -9.151 -2.500 1.00 0.00 H new ATOM 0 HD1 TYR A 14 13.979 -8.525 -1.032 1.00 0.00 H new ATOM 0 HD2 TYR A 14 11.225 -7.642 -4.154 1.00 0.00 H new ATOM 0 HE1 TYR A 14 15.720 -7.258 -2.210 1.00 0.00 H new ATOM 0 HE2 TYR A 14 12.957 -6.382 -5.334 1.00 0.00 H new ATOM 0 HH TYR A 14 15.046 -5.676 -5.343 1.00 0.00 H new ATOM 116 N ILE A 15 9.040 -6.612 -0.804 1.00 0.00 N ATOM 117 CA ILE A 15 8.502 -5.302 -1.145 1.00 0.00 C ATOM 118 C ILE A 15 8.058 -4.513 0.096 1.00 0.00 C ATOM 119 O ILE A 15 7.281 -4.999 0.925 1.00 0.00 O ATOM 120 CB ILE A 15 7.321 -5.404 -2.154 1.00 0.00 C ATOM 121 CG1 ILE A 15 6.854 -4.004 -2.573 1.00 0.00 C ATOM 122 CG2 ILE A 15 6.161 -6.213 -1.573 1.00 0.00 C ATOM 123 CD1 ILE A 15 5.679 -4.013 -3.523 1.00 0.00 C ATOM 0 H ILE A 15 8.343 -7.304 -0.530 1.00 0.00 H new ATOM 0 HA ILE A 15 9.319 -4.758 -1.619 1.00 0.00 H new ATOM 0 HB ILE A 15 7.678 -5.930 -3.039 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.584 -3.439 -1.681 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.686 -3.479 -3.043 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.353 -6.265 -2.302 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.503 -7.221 -1.337 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.800 -5.730 -0.665 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.406 -2.988 -3.774 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.950 -4.549 -4.432 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.832 -4.508 -3.049 1.00 0.00 H new ATOM 135 N THR A 16 8.561 -3.298 0.216 1.00 0.00 N ATOM 136 CA THR A 16 8.187 -2.424 1.303 1.00 0.00 C ATOM 137 C THR A 16 7.381 -1.250 0.757 1.00 0.00 C ATOM 138 O THR A 16 7.328 -1.038 -0.458 1.00 0.00 O ATOM 139 CB THR A 16 9.425 -1.891 2.056 1.00 0.00 C ATOM 140 OG1 THR A 16 10.263 -1.162 1.152 1.00 0.00 O ATOM 141 CG2 THR A 16 10.218 -3.035 2.678 1.00 0.00 C ATOM 0 H THR A 16 9.235 -2.895 -0.435 1.00 0.00 H new ATOM 0 HA THR A 16 7.586 -3.000 2.007 1.00 0.00 H new ATOM 0 HB THR A 16 9.084 -1.232 2.855 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.995 -1.738 0.848 1.00 0.00 H new ATOM 0 HG21 THR A 16 11.085 -2.634 3.203 1.00 0.00 H new ATOM 0 HG22 THR A 16 9.586 -3.575 3.382 1.00 0.00 H new ATOM 0 HG23 THR A 16 10.551 -3.715 1.894 1.00 0.00 H new ATOM 149 N CYS A 17 6.763 -0.491 1.634 1.00 0.00 N ATOM 150 CA CYS A 17 5.960 0.645 1.216 1.00 0.00 C ATOM 151 C CYS A 17 6.850 1.833 0.839 1.00 0.00 C ATOM 152 O CYS A 17 6.441 2.713 0.086 1.00 0.00 O ATOM 153 CB CYS A 17 4.973 1.042 2.319 1.00 0.00 C ATOM 154 SG CYS A 17 5.747 1.710 3.833 1.00 0.00 S ATOM 0 H CYS A 17 6.799 -0.637 2.643 1.00 0.00 H new ATOM 0 HA CYS A 17 5.392 0.352 0.333 1.00 0.00 H new ATOM 0 HB2 CYS A 17 4.284 1.787 1.920 1.00 0.00 H new ATOM 0 HB3 CYS A 17 4.378 0.169 2.587 1.00 0.00 H new ATOM 159 N ALA A 18 8.076 1.837 1.353 1.00 0.00 N ATOM 160 CA ALA A 18 9.018 2.915 1.072 1.00 0.00 C ATOM 161 C ALA A 18 9.615 2.754 -0.316 1.00 0.00 C ATOM 162 O ALA A 18 9.764 3.726 -1.062 1.00 0.00 O ATOM 163 CB ALA A 18 10.115 2.951 2.121 1.00 0.00 C ATOM 0 H ALA A 18 8.440 1.107 1.965 1.00 0.00 H new ATOM 0 HA ALA A 18 8.477 3.861 1.106 1.00 0.00 H new ATOM 0 HB1 ALA A 18 10.808 3.761 1.895 1.00 0.00 H new ATOM 0 HB2 ALA A 18 9.673 3.115 3.104 1.00 0.00 H new ATOM 0 HB3 ALA A 18 10.652 2.003 2.118 1.00 0.00 H new ATOM 169 N GLU A 19 9.934 1.515 -0.671 1.00 0.00 N ATOM 170 CA GLU A 19 10.498 1.212 -1.980 1.00 0.00 C ATOM 171 C GLU A 19 9.481 1.462 -3.084 1.00 0.00 C ATOM 172 O GLU A 19 9.843 1.621 -4.252 1.00 0.00 O ATOM 173 CB GLU A 19 11.014 -0.220 -2.022 1.00 0.00 C ATOM 174 CG GLU A 19 12.246 -0.431 -1.163 1.00 0.00 C ATOM 175 CD GLU A 19 12.637 -1.880 -1.046 1.00 0.00 C ATOM 176 OE1 GLU A 19 13.297 -2.401 -1.969 1.00 0.00 O ATOM 177 OE2 GLU A 19 12.297 -2.504 -0.017 1.00 0.00 O ATOM 0 H GLU A 19 9.811 0.702 -0.068 1.00 0.00 H new ATOM 0 HA GLU A 19 11.341 1.881 -2.151 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.225 -0.895 -1.689 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.247 -0.487 -3.053 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.078 0.132 -1.586 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.062 -0.028 -0.167 1.00 0.00 H new ATOM 184 N ALA A 20 8.205 1.499 -2.710 1.00 0.00 N ATOM 185 CA ALA A 20 7.149 1.805 -3.655 1.00 0.00 C ATOM 186 C ALA A 20 7.314 3.231 -4.166 1.00 0.00 C ATOM 187 O ALA A 20 7.037 3.527 -5.318 1.00 0.00 O ATOM 188 CB ALA A 20 5.785 1.625 -3.009 1.00 0.00 C ATOM 0 H ALA A 20 7.883 1.320 -1.759 1.00 0.00 H new ATOM 0 HA ALA A 20 7.218 1.116 -4.497 1.00 0.00 H new ATOM 0 HB1 ALA A 20 5.005 1.859 -3.734 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.673 0.593 -2.677 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.697 2.294 -2.153 1.00 0.00 H new ATOM 194 N ASN A 21 7.814 4.101 -3.301 1.00 0.00 N ATOM 195 CA ASN A 21 8.050 5.490 -3.670 1.00 0.00 C ATOM 196 C ASN A 21 9.224 5.560 -4.618 1.00 0.00 C ATOM 197 O ASN A 21 9.257 6.371 -5.546 1.00 0.00 O ATOM 198 CB ASN A 21 8.326 6.338 -2.429 1.00 0.00 C ATOM 199 CG ASN A 21 8.712 7.771 -2.771 1.00 0.00 C ATOM 200 OD1 ASN A 21 9.894 8.085 -2.934 1.00 0.00 O ATOM 201 ND2 ASN A 21 7.726 8.641 -2.884 1.00 0.00 N ATOM 0 H ASN A 21 8.064 3.871 -2.339 1.00 0.00 H new ATOM 0 HA ASN A 21 7.160 5.884 -4.160 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.439 6.346 -1.795 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.127 5.878 -1.851 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.928 9.614 -3.114 1.00 0.00 H new ATOM 0 HD22 ASN A 21 6.762 8.340 -2.741 1.00 0.00 H new ATOM 208 N GLU A 22 10.197 4.712 -4.363 1.00 0.00 N ATOM 209 CA GLU A 22 11.354 4.607 -5.215 1.00 0.00 C ATOM 210 C GLU A 22 10.941 4.210 -6.635 1.00 0.00 C ATOM 211 O GLU A 22 11.287 4.889 -7.601 1.00 0.00 O ATOM 212 CB GLU A 22 12.363 3.610 -4.642 1.00 0.00 C ATOM 213 CG GLU A 22 13.655 3.520 -5.440 1.00 0.00 C ATOM 214 CD GLU A 22 14.439 4.824 -5.450 1.00 0.00 C ATOM 215 OE1 GLU A 22 13.846 5.885 -5.749 1.00 0.00 O ATOM 216 OE2 GLU A 22 15.658 4.787 -5.184 1.00 0.00 O ATOM 0 H GLU A 22 10.206 4.080 -3.562 1.00 0.00 H new ATOM 0 HA GLU A 22 11.836 5.584 -5.260 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.599 3.894 -3.616 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.902 2.623 -4.601 1.00 0.00 H new ATOM 0 HG2 GLU A 22 14.279 2.730 -5.022 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.423 3.234 -6.466 1.00 0.00 H new ATOM 223 N MET A 23 10.188 3.119 -6.752 1.00 0.00 N ATOM 224 CA MET A 23 9.731 2.648 -8.066 1.00 0.00 C ATOM 225 C MET A 23 8.835 3.679 -8.749 1.00 0.00 C ATOM 226 O MET A 23 8.917 3.870 -9.942 1.00 0.00 O ATOM 227 CB MET A 23 8.999 1.303 -7.955 1.00 0.00 C ATOM 228 CG MET A 23 9.852 0.176 -7.386 1.00 0.00 C ATOM 229 SD MET A 23 9.078 -1.452 -7.556 1.00 0.00 S ATOM 230 CE MET A 23 7.495 -1.174 -6.762 1.00 0.00 C ATOM 0 H MET A 23 9.882 2.547 -5.965 1.00 0.00 H new ATOM 0 HA MET A 23 10.620 2.506 -8.680 1.00 0.00 H new ATOM 0 HB2 MET A 23 8.119 1.431 -7.325 1.00 0.00 H new ATOM 0 HB3 MET A 23 8.644 1.012 -8.944 1.00 0.00 H new ATOM 0 HG2 MET A 23 10.818 0.168 -7.892 1.00 0.00 H new ATOM 0 HG3 MET A 23 10.046 0.372 -6.331 1.00 0.00 H new ATOM 0 HE1 MET A 23 7.153 -2.099 -6.299 1.00 0.00 H new ATOM 0 HE2 MET A 23 7.601 -0.404 -5.998 1.00 0.00 H new ATOM 0 HE3 MET A 23 6.767 -0.849 -7.506 1.00 0.00 H new ATOM 240 N ALA A 24 7.973 4.318 -7.964 1.00 0.00 N ATOM 241 CA ALA A 24 7.067 5.375 -8.447 1.00 0.00 C ATOM 242 C ALA A 24 7.778 6.405 -9.338 1.00 0.00 C ATOM 243 O ALA A 24 7.173 6.981 -10.236 1.00 0.00 O ATOM 244 CB ALA A 24 6.408 6.081 -7.272 1.00 0.00 C ATOM 0 H ALA A 24 7.877 4.122 -6.968 1.00 0.00 H new ATOM 0 HA ALA A 24 6.310 4.885 -9.059 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.741 6.860 -7.643 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.835 5.360 -6.689 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.175 6.530 -6.641 1.00 0.00 H new ATOM 250 N LYS A 25 9.053 6.625 -9.080 1.00 0.00 N ATOM 251 CA LYS A 25 9.838 7.602 -9.837 1.00 0.00 C ATOM 252 C LYS A 25 10.023 7.160 -11.276 1.00 0.00 C ATOM 253 O LYS A 25 10.085 7.985 -12.187 1.00 0.00 O ATOM 254 CB LYS A 25 11.194 7.833 -9.180 1.00 0.00 C ATOM 255 CG LYS A 25 11.106 8.281 -7.734 1.00 0.00 C ATOM 256 CD LYS A 25 12.473 8.630 -7.185 1.00 0.00 C ATOM 257 CE LYS A 25 12.409 8.983 -5.710 1.00 0.00 C ATOM 258 NZ LYS A 25 12.084 7.804 -4.874 1.00 0.00 N ATOM 0 H LYS A 25 9.576 6.142 -8.350 1.00 0.00 H new ATOM 0 HA LYS A 25 9.285 8.541 -9.836 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.773 6.911 -9.230 1.00 0.00 H new ATOM 0 HB3 LYS A 25 11.740 8.584 -9.751 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.449 9.147 -7.658 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.661 7.489 -7.132 1.00 0.00 H new ATOM 0 HD2 LYS A 25 13.150 7.788 -7.329 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.886 9.470 -7.743 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.366 9.399 -5.394 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.658 9.757 -5.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.999 8.096 -3.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.184 7.391 -5.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.840 7.096 -4.964 1.00 0.00 H new ATOM 272 N THR A 26 10.100 5.869 -11.474 1.00 0.00 N ATOM 273 CA THR A 26 10.246 5.325 -12.796 1.00 0.00 C ATOM 274 C THR A 26 8.892 4.869 -13.300 1.00 0.00 C ATOM 275 O THR A 26 8.588 4.954 -14.493 1.00 0.00 O ATOM 276 CB THR A 26 11.238 4.136 -12.819 1.00 0.00 C ATOM 277 OG1 THR A 26 10.804 3.112 -11.910 1.00 0.00 O ATOM 278 CG2 THR A 26 12.639 4.595 -12.432 1.00 0.00 C ATOM 0 H THR A 26 10.064 5.172 -10.730 1.00 0.00 H new ATOM 0 HA THR A 26 10.647 6.105 -13.443 1.00 0.00 H new ATOM 0 HB THR A 26 11.264 3.736 -13.833 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.133 3.481 -11.298 1.00 0.00 H new ATOM 0 HG21 THR A 26 13.320 3.744 -12.455 1.00 0.00 H new ATOM 0 HG22 THR A 26 12.981 5.353 -13.137 1.00 0.00 H new ATOM 0 HG23 THR A 26 12.619 5.017 -11.427 1.00 0.00 H new ATOM 286 N ASP A 27 8.069 4.393 -12.377 1.00 0.00 N ATOM 287 CA ASP A 27 6.760 3.900 -12.707 1.00 0.00 C ATOM 288 C ASP A 27 5.742 4.246 -11.629 1.00 0.00 C ATOM 289 O ASP A 27 5.514 3.465 -10.698 1.00 0.00 O ATOM 290 CB ASP A 27 6.820 2.408 -12.870 1.00 0.00 C ATOM 291 CG ASP A 27 5.858 1.905 -13.927 1.00 0.00 C ATOM 292 OD1 ASP A 27 4.673 2.305 -13.901 1.00 0.00 O ATOM 293 OD2 ASP A 27 6.274 1.096 -14.782 1.00 0.00 O ATOM 0 H ASP A 27 8.298 4.342 -11.384 1.00 0.00 H new ATOM 0 HA ASP A 27 6.444 4.374 -13.636 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.835 2.115 -13.137 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.591 1.931 -11.917 1.00 0.00 H new ATOM 298 N SER A 28 5.166 5.422 -11.733 1.00 0.00 N ATOM 299 CA SER A 28 4.126 5.856 -10.815 1.00 0.00 C ATOM 300 C SER A 28 2.878 4.977 -10.966 1.00 0.00 C ATOM 301 O SER A 28 2.114 4.794 -10.021 1.00 0.00 O ATOM 302 CB SER A 28 3.772 7.318 -11.083 1.00 0.00 C ATOM 303 OG SER A 28 4.938 8.131 -11.098 1.00 0.00 O ATOM 0 H SER A 28 5.401 6.106 -12.452 1.00 0.00 H new ATOM 0 HA SER A 28 4.498 5.760 -9.795 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.254 7.401 -12.039 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.085 7.676 -10.316 1.00 0.00 H new ATOM 0 HG SER A 28 5.665 7.668 -10.632 1.00 0.00 H new ATOM 309 N ALA A 29 2.697 4.425 -12.161 1.00 0.00 N ATOM 310 CA ALA A 29 1.557 3.571 -12.444 1.00 0.00 C ATOM 311 C ALA A 29 1.699 2.231 -11.743 1.00 0.00 C ATOM 312 O ALA A 29 0.765 1.756 -11.104 1.00 0.00 O ATOM 313 CB ALA A 29 1.409 3.366 -13.941 1.00 0.00 C ATOM 0 H ALA A 29 3.330 4.557 -12.950 1.00 0.00 H new ATOM 0 HA ALA A 29 0.661 4.063 -12.066 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.550 2.724 -14.137 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.260 4.330 -14.427 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.311 2.897 -14.335 1.00 0.00 H new ATOM 319 N GLN A 30 2.888 1.643 -11.853 1.00 0.00 N ATOM 320 CA GLN A 30 3.192 0.339 -11.259 1.00 0.00 C ATOM 321 C GLN A 30 2.798 0.286 -9.791 1.00 0.00 C ATOM 322 O GLN A 30 2.140 -0.652 -9.343 1.00 0.00 O ATOM 323 CB GLN A 30 4.687 0.052 -11.384 1.00 0.00 C ATOM 324 CG GLN A 30 5.098 -1.337 -10.935 1.00 0.00 C ATOM 325 CD GLN A 30 4.565 -2.412 -11.848 1.00 0.00 C ATOM 326 OE1 GLN A 30 3.470 -2.943 -11.639 1.00 0.00 O ATOM 327 NE2 GLN A 30 5.327 -2.741 -12.869 1.00 0.00 N ATOM 0 H GLN A 30 3.672 2.057 -12.358 1.00 0.00 H new ATOM 0 HA GLN A 30 2.615 -0.413 -11.797 1.00 0.00 H new ATOM 0 HB2 GLN A 30 4.985 0.187 -12.424 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.236 0.788 -10.797 1.00 0.00 H new ATOM 0 HG2 GLN A 30 6.186 -1.399 -10.900 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.736 -1.511 -9.922 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.225 -2.277 -13.005 1.00 0.00 H new ATOM 0 HE22 GLN A 30 5.019 -3.460 -13.524 1.00 0.00 H new ATOM 336 N VAL A 31 3.170 1.312 -9.055 1.00 0.00 N ATOM 337 CA VAL A 31 2.932 1.338 -7.629 1.00 0.00 C ATOM 338 C VAL A 31 1.483 1.668 -7.310 1.00 0.00 C ATOM 339 O VAL A 31 0.936 1.179 -6.330 1.00 0.00 O ATOM 340 CB VAL A 31 3.875 2.317 -6.908 1.00 0.00 C ATOM 341 CG1 VAL A 31 5.315 1.934 -7.179 1.00 0.00 C ATOM 342 CG2 VAL A 31 3.612 3.754 -7.336 1.00 0.00 C ATOM 0 H VAL A 31 3.639 2.140 -9.422 1.00 0.00 H new ATOM 0 HA VAL A 31 3.143 0.335 -7.259 1.00 0.00 H new ATOM 0 HB VAL A 31 3.684 2.254 -5.837 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.979 2.630 -6.667 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.497 0.923 -6.814 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.506 1.973 -8.251 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.294 4.421 -6.809 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.770 3.848 -8.410 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.583 4.023 -7.095 1.00 0.00 H new ATOM 352 N ALA A 32 0.852 2.464 -8.163 1.00 0.00 N ATOM 353 CA ALA A 32 -0.528 2.844 -7.952 1.00 0.00 C ATOM 354 C ALA A 32 -1.434 1.655 -8.207 1.00 0.00 C ATOM 355 O ALA A 32 -2.492 1.528 -7.601 1.00 0.00 O ATOM 356 CB ALA A 32 -0.914 4.020 -8.842 1.00 0.00 C ATOM 0 H ALA A 32 1.277 2.855 -9.004 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.647 3.162 -6.916 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.956 4.285 -8.663 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -0.278 4.875 -8.612 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -0.785 3.742 -9.888 1.00 0.00 H new ATOM 362 N GLU A 33 -1.010 0.785 -9.111 1.00 0.00 N ATOM 363 CA GLU A 33 -1.756 -0.419 -9.405 1.00 0.00 C ATOM 364 C GLU A 33 -1.604 -1.418 -8.272 1.00 0.00 C ATOM 365 O GLU A 33 -2.581 -1.811 -7.666 1.00 0.00 O ATOM 366 CB GLU A 33 -1.308 -1.042 -10.729 1.00 0.00 C ATOM 367 CG GLU A 33 -1.558 -0.160 -11.943 1.00 0.00 C ATOM 368 CD GLU A 33 -2.999 0.288 -12.048 1.00 0.00 C ATOM 369 OE1 GLU A 33 -3.856 -0.523 -12.459 1.00 0.00 O ATOM 370 OE2 GLU A 33 -3.287 1.458 -11.733 1.00 0.00 O ATOM 0 H GLU A 33 -0.152 0.895 -9.652 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.808 -0.150 -9.503 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.243 -1.269 -10.670 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.829 -1.990 -10.868 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.912 0.716 -11.891 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.284 -0.705 -12.846 1.00 0.00 H new ATOM 377 N ILE A 34 -0.357 -1.802 -7.981 1.00 0.00 N ATOM 378 CA ILE A 34 -0.066 -2.767 -6.907 1.00 0.00 C ATOM 379 C ILE A 34 -0.774 -2.382 -5.598 1.00 0.00 C ATOM 380 O ILE A 34 -1.463 -3.209 -4.986 1.00 0.00 O ATOM 381 CB ILE A 34 1.463 -2.892 -6.654 1.00 0.00 C ATOM 382 CG1 ILE A 34 2.170 -3.421 -7.909 1.00 0.00 C ATOM 383 CG2 ILE A 34 1.741 -3.804 -5.459 1.00 0.00 C ATOM 384 CD1 ILE A 34 3.679 -3.497 -7.778 1.00 0.00 C ATOM 0 H ILE A 34 0.469 -1.461 -8.472 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.446 -3.732 -7.241 1.00 0.00 H new ATOM 0 HB ILE A 34 1.855 -1.901 -6.425 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.785 -4.414 -8.140 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.920 -2.778 -8.753 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.817 -3.877 -5.300 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.270 -3.390 -4.568 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.335 -4.796 -5.656 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.106 -3.880 -8.705 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.077 -2.502 -7.579 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.940 -4.164 -6.956 1.00 0.00 H new ATOM 396 N VAL A 35 -0.605 -1.129 -5.188 1.00 0.00 N ATOM 397 CA VAL A 35 -1.230 -0.616 -3.976 1.00 0.00 C ATOM 398 C VAL A 35 -2.762 -0.719 -4.043 1.00 0.00 C ATOM 399 O VAL A 35 -3.396 -1.269 -3.141 1.00 0.00 O ATOM 400 CB VAL A 35 -0.799 0.859 -3.714 1.00 0.00 C ATOM 401 CG1 VAL A 35 -1.669 1.516 -2.658 1.00 0.00 C ATOM 402 CG2 VAL A 35 0.663 0.913 -3.291 1.00 0.00 C ATOM 0 H VAL A 35 -0.034 -0.445 -5.684 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.888 -1.234 -3.146 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.927 1.411 -4.645 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.339 2.543 -2.502 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.707 1.515 -2.990 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.586 0.962 -1.723 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.952 1.949 -3.111 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.799 0.334 -2.377 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.286 0.495 -4.081 1.00 0.00 H new ATOM 412 N ALA A 36 -3.341 -0.221 -5.125 1.00 0.00 N ATOM 413 CA ALA A 36 -4.796 -0.212 -5.288 1.00 0.00 C ATOM 414 C ALA A 36 -5.377 -1.619 -5.428 1.00 0.00 C ATOM 415 O ALA A 36 -6.415 -1.920 -4.839 1.00 0.00 O ATOM 416 CB ALA A 36 -5.199 0.645 -6.478 1.00 0.00 C ATOM 0 H ALA A 36 -2.828 0.184 -5.908 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.212 0.221 -4.378 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.284 0.638 -6.581 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.856 1.668 -6.322 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.746 0.244 -7.385 1.00 0.00 H new ATOM 422 N VAL A 37 -4.716 -2.474 -6.216 1.00 0.00 N ATOM 423 CA VAL A 37 -5.197 -3.838 -6.434 1.00 0.00 C ATOM 424 C VAL A 37 -5.407 -4.576 -5.116 1.00 0.00 C ATOM 425 O VAL A 37 -6.537 -4.880 -4.755 1.00 0.00 O ATOM 426 CB VAL A 37 -4.250 -4.661 -7.355 1.00 0.00 C ATOM 427 CG1 VAL A 37 -4.679 -6.125 -7.411 1.00 0.00 C ATOM 428 CG2 VAL A 37 -4.236 -4.074 -8.759 1.00 0.00 C ATOM 0 H VAL A 37 -3.853 -2.246 -6.709 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.157 -3.742 -6.940 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.245 -4.610 -6.936 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.001 -6.678 -8.061 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.649 -6.552 -6.408 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.694 -6.192 -7.804 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.569 -4.660 -9.392 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.244 -4.098 -9.173 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.885 -3.043 -8.719 1.00 0.00 H new ATOM 438 N MET A 38 -4.334 -4.856 -4.388 1.00 0.00 N ATOM 439 CA MET A 38 -4.448 -5.555 -3.110 1.00 0.00 C ATOM 440 C MET A 38 -5.225 -4.744 -2.105 1.00 0.00 C ATOM 441 O MET A 38 -5.957 -5.297 -1.294 1.00 0.00 O ATOM 442 CB MET A 38 -3.066 -5.869 -2.542 1.00 0.00 C ATOM 443 CG MET A 38 -2.188 -6.703 -3.455 1.00 0.00 C ATOM 444 SD MET A 38 -0.577 -7.055 -2.728 1.00 0.00 S ATOM 445 CE MET A 38 -0.009 -5.397 -2.348 1.00 0.00 C ATOM 0 H MET A 38 -3.380 -4.613 -4.656 1.00 0.00 H new ATOM 0 HA MET A 38 -4.984 -6.485 -3.298 1.00 0.00 H new ATOM 0 HB2 MET A 38 -2.555 -4.931 -2.324 1.00 0.00 H new ATOM 0 HB3 MET A 38 -3.187 -6.395 -1.595 1.00 0.00 H new ATOM 0 HG2 MET A 38 -2.694 -7.642 -3.682 1.00 0.00 H new ATOM 0 HG3 MET A 38 -2.050 -6.178 -4.400 1.00 0.00 H new ATOM 0 HE1 MET A 38 1.081 -5.379 -2.337 1.00 0.00 H new ATOM 0 HE2 MET A 38 -0.375 -4.704 -3.106 1.00 0.00 H new ATOM 0 HE3 MET A 38 -0.387 -5.098 -1.370 1.00 0.00 H new ATOM 455 N GLY A 39 -5.060 -3.434 -2.158 1.00 0.00 N ATOM 456 CA GLY A 39 -5.755 -2.567 -1.244 1.00 0.00 C ATOM 457 C GLY A 39 -7.245 -2.745 -1.320 1.00 0.00 C ATOM 458 O GLY A 39 -7.885 -3.093 -0.329 1.00 0.00 O ATOM 0 H GLY A 39 -4.452 -2.956 -2.823 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.418 -2.767 -0.227 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.502 -1.530 -1.465 1.00 0.00 H new ATOM 462 N ASN A 40 -7.793 -2.568 -2.510 1.00 0.00 N ATOM 463 CA ASN A 40 -9.224 -2.671 -2.711 1.00 0.00 C ATOM 464 C ASN A 40 -9.680 -4.117 -2.551 1.00 0.00 C ATOM 465 O ASN A 40 -10.749 -4.388 -1.994 1.00 0.00 O ATOM 466 CB ASN A 40 -9.610 -2.113 -4.100 1.00 0.00 C ATOM 467 CG ASN A 40 -9.758 -3.179 -5.179 1.00 0.00 C ATOM 468 OD1 ASN A 40 -10.832 -3.753 -5.373 1.00 0.00 O ATOM 469 ND2 ASN A 40 -8.688 -3.433 -5.889 1.00 0.00 N ATOM 0 H ASN A 40 -7.263 -2.351 -3.354 1.00 0.00 H new ATOM 0 HA ASN A 40 -9.732 -2.074 -1.954 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -10.549 -1.567 -4.012 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.852 -1.395 -4.415 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -8.724 -4.128 -6.635 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -7.818 -2.936 -5.697 1.00 0.00 H new ATOM 476 N ALA A 41 -8.843 -5.048 -3.011 1.00 0.00 N ATOM 477 CA ALA A 41 -9.155 -6.461 -2.936 1.00 0.00 C ATOM 478 C ALA A 41 -9.203 -6.944 -1.498 1.00 0.00 C ATOM 479 O ALA A 41 -9.958 -7.850 -1.174 1.00 0.00 O ATOM 480 CB ALA A 41 -8.153 -7.280 -3.736 1.00 0.00 C ATOM 0 H ALA A 41 -7.941 -4.839 -3.440 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.145 -6.600 -3.371 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.408 -8.337 -3.665 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -8.181 -6.970 -4.781 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.151 -7.120 -3.337 1.00 0.00 H new ATOM 486 N SER A 42 -8.393 -6.363 -0.636 1.00 0.00 N ATOM 487 CA SER A 42 -8.376 -6.757 0.751 1.00 0.00 C ATOM 488 C SER A 42 -9.450 -6.011 1.559 1.00 0.00 C ATOM 489 O SER A 42 -10.201 -6.624 2.318 1.00 0.00 O ATOM 490 CB SER A 42 -6.976 -6.525 1.360 1.00 0.00 C ATOM 491 OG SER A 42 -6.927 -6.930 2.724 1.00 0.00 O ATOM 0 H SER A 42 -7.740 -5.617 -0.875 1.00 0.00 H new ATOM 0 HA SER A 42 -8.606 -7.821 0.800 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.233 -7.080 0.788 1.00 0.00 H new ATOM 0 HB3 SER A 42 -6.715 -5.470 1.283 1.00 0.00 H new ATOM 0 HG SER A 42 -7.390 -6.268 3.279 1.00 0.00 H new ATOM 497 N VAL A 43 -9.555 -4.701 1.349 1.00 0.00 N ATOM 498 CA VAL A 43 -10.443 -3.880 2.169 1.00 0.00 C ATOM 499 C VAL A 43 -11.924 -4.126 1.880 1.00 0.00 C ATOM 500 O VAL A 43 -12.728 -4.258 2.813 1.00 0.00 O ATOM 501 CB VAL A 43 -10.125 -2.363 2.075 1.00 0.00 C ATOM 502 CG1 VAL A 43 -10.475 -1.797 0.711 1.00 0.00 C ATOM 503 CG2 VAL A 43 -10.845 -1.602 3.174 1.00 0.00 C ATOM 0 H VAL A 43 -9.044 -4.191 0.629 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.246 -4.201 3.192 1.00 0.00 H new ATOM 0 HB VAL A 43 -9.050 -2.242 2.210 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -10.237 -0.733 0.687 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -9.900 -2.315 -0.056 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -11.540 -1.935 0.522 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -10.612 -0.540 3.094 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -11.921 -1.746 3.072 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -10.520 -1.973 4.146 1.00 0.00 H new ATOM 513 N ALA A 44 -12.304 -4.235 0.610 1.00 0.00 N ATOM 514 CA ALA A 44 -13.700 -4.410 0.276 1.00 0.00 C ATOM 515 C ALA A 44 -14.129 -5.839 0.525 1.00 0.00 C ATOM 516 O ALA A 44 -15.307 -6.150 0.545 1.00 0.00 O ATOM 517 CB ALA A 44 -13.937 -4.025 -1.178 1.00 0.00 C ATOM 0 H ALA A 44 -11.670 -4.205 -0.189 1.00 0.00 H new ATOM 0 HA ALA A 44 -14.299 -3.760 0.913 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -14.991 -4.159 -1.423 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.660 -2.982 -1.328 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -13.331 -4.658 -1.826 1.00 0.00 H new ATOM 523 N SER A 45 -13.166 -6.697 0.733 1.00 0.00 N ATOM 524 CA SER A 45 -13.465 -8.099 0.960 1.00 0.00 C ATOM 525 C SER A 45 -13.699 -8.383 2.434 1.00 0.00 C ATOM 526 O SER A 45 -14.165 -9.460 2.803 1.00 0.00 O ATOM 527 CB SER A 45 -12.370 -8.990 0.403 1.00 0.00 C ATOM 528 OG SER A 45 -12.297 -8.877 -1.010 1.00 0.00 O ATOM 0 H SER A 45 -12.174 -6.460 0.751 1.00 0.00 H new ATOM 0 HA SER A 45 -14.388 -8.328 0.427 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.412 -8.715 0.844 1.00 0.00 H new ATOM 0 HB3 SER A 45 -12.563 -10.027 0.680 1.00 0.00 H new ATOM 0 HG SER A 45 -11.359 -8.797 -1.284 1.00 0.00 H new ATOM 534 N ARG A 46 -13.380 -7.416 3.276 1.00 0.00 N ATOM 535 CA ARG A 46 -13.506 -7.601 4.706 1.00 0.00 C ATOM 536 C ARG A 46 -14.578 -6.700 5.311 1.00 0.00 C ATOM 537 O ARG A 46 -15.043 -6.939 6.424 1.00 0.00 O ATOM 538 CB ARG A 46 -12.144 -7.409 5.372 1.00 0.00 C ATOM 539 CG ARG A 46 -11.144 -8.483 4.963 1.00 0.00 C ATOM 540 CD ARG A 46 -9.710 -7.993 5.014 1.00 0.00 C ATOM 541 NE ARG A 46 -9.255 -7.713 6.367 1.00 0.00 N ATOM 542 CZ ARG A 46 -7.979 -7.527 6.693 1.00 0.00 C ATOM 543 NH1 ARG A 46 -7.043 -7.551 5.751 1.00 0.00 N ATOM 544 NH2 ARG A 46 -7.646 -7.301 7.953 1.00 0.00 N ATOM 0 H ARG A 46 -13.033 -6.499 2.993 1.00 0.00 H new ATOM 0 HA ARG A 46 -13.839 -8.622 4.894 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.748 -6.428 5.109 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.266 -7.423 6.455 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -11.253 -9.345 5.621 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.373 -8.822 3.953 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.059 -8.743 4.565 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.618 -7.090 4.411 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.954 -7.656 7.108 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.303 -7.712 4.778 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.064 -7.408 6.001 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.367 -7.270 8.673 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -6.668 -7.158 8.204 1.00 0.00 H new ATOM 558 N ASP A 47 -14.964 -5.662 4.581 1.00 0.00 N ATOM 559 CA ASP A 47 -16.053 -4.783 5.020 1.00 0.00 C ATOM 560 C ASP A 47 -16.987 -4.441 3.876 1.00 0.00 C ATOM 561 O ASP A 47 -18.187 -4.277 4.081 1.00 0.00 O ATOM 562 CB ASP A 47 -15.533 -3.511 5.689 1.00 0.00 C ATOM 563 CG ASP A 47 -15.393 -3.670 7.188 1.00 0.00 C ATOM 564 OD1 ASP A 47 -16.433 -3.810 7.872 1.00 0.00 O ATOM 565 OD2 ASP A 47 -14.251 -3.662 7.693 1.00 0.00 O ATOM 0 H ASP A 47 -14.546 -5.405 3.687 1.00 0.00 H new ATOM 0 HA ASP A 47 -16.619 -5.339 5.767 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -14.566 -3.247 5.261 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -16.212 -2.686 5.475 1.00 0.00 H new ATOM 570 N LEU A 48 -16.419 -4.309 2.670 1.00 0.00 N ATOM 571 CA LEU A 48 -17.181 -4.040 1.423 1.00 0.00 C ATOM 572 C LEU A 48 -17.681 -2.594 1.338 1.00 0.00 C ATOM 573 O LEU A 48 -17.630 -1.973 0.273 1.00 0.00 O ATOM 574 CB LEU A 48 -18.350 -5.025 1.264 1.00 0.00 C ATOM 575 CG LEU A 48 -19.077 -4.990 -0.080 1.00 0.00 C ATOM 576 CD1 LEU A 48 -18.148 -5.430 -1.201 1.00 0.00 C ATOM 577 CD2 LEU A 48 -20.313 -5.867 -0.033 1.00 0.00 C ATOM 0 H LEU A 48 -15.413 -4.385 2.521 1.00 0.00 H new ATOM 0 HA LEU A 48 -16.484 -4.188 0.598 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -17.973 -6.035 1.424 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -19.076 -4.827 2.053 1.00 0.00 H new ATOM 0 HG LEU A 48 -19.389 -3.965 -0.279 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -18.683 -5.399 -2.150 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -17.289 -4.760 -1.246 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -17.805 -6.447 -1.011 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -20.821 -5.832 -0.997 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -20.022 -6.894 0.187 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -20.986 -5.506 0.745 1.00 0.00 H new ATOM 589 N LYS A 49 -18.141 -2.063 2.453 1.00 0.00 N ATOM 590 CA LYS A 49 -18.656 -0.696 2.518 1.00 0.00 C ATOM 591 C LYS A 49 -17.527 0.342 2.513 1.00 0.00 C ATOM 592 O LYS A 49 -17.758 1.526 2.759 1.00 0.00 O ATOM 593 CB LYS A 49 -19.521 -0.524 3.767 1.00 0.00 C ATOM 594 CG LYS A 49 -18.820 -0.917 5.057 1.00 0.00 C ATOM 595 CD LYS A 49 -19.735 -0.756 6.253 1.00 0.00 C ATOM 596 CE LYS A 49 -19.103 -1.322 7.514 1.00 0.00 C ATOM 597 NZ LYS A 49 -20.016 -1.231 8.679 1.00 0.00 N ATOM 0 H LYS A 49 -18.171 -2.561 3.343 1.00 0.00 H new ATOM 0 HA LYS A 49 -19.261 -0.527 1.627 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -19.837 0.517 3.838 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -20.424 -1.124 3.658 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -18.485 -1.952 4.990 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -17.930 -0.302 5.192 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -19.962 0.300 6.400 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -20.681 -1.261 6.060 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -18.830 -2.364 7.347 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -18.181 -0.782 7.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -19.548 -1.627 9.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -20.256 -0.235 8.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -20.885 -1.767 8.482 1.00 0.00 H new ATOM 611 N ILE A 50 -16.320 -0.101 2.229 1.00 0.00 N ATOM 612 CA ILE A 50 -15.180 0.788 2.184 1.00 0.00 C ATOM 613 C ILE A 50 -14.749 1.008 0.741 1.00 0.00 C ATOM 614 O ILE A 50 -14.442 0.055 0.022 1.00 0.00 O ATOM 615 CB ILE A 50 -13.985 0.240 3.001 1.00 0.00 C ATOM 616 CG1 ILE A 50 -14.418 -0.092 4.441 1.00 0.00 C ATOM 617 CG2 ILE A 50 -12.841 1.252 3.008 1.00 0.00 C ATOM 618 CD1 ILE A 50 -14.953 1.097 5.221 1.00 0.00 C ATOM 0 H ILE A 50 -16.103 -1.077 2.025 1.00 0.00 H new ATOM 0 HA ILE A 50 -15.486 1.734 2.631 1.00 0.00 H new ATOM 0 HB ILE A 50 -13.636 -0.678 2.529 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -15.185 -0.866 4.408 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -13.566 -0.510 4.977 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -12.007 0.854 3.586 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -12.516 1.441 1.985 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -13.183 2.184 3.458 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -15.235 0.777 6.224 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -14.182 1.865 5.288 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -15.826 1.504 4.711 1.00 0.00 H new ATOM 630 N GLU A 51 -14.738 2.255 0.327 1.00 0.00 N ATOM 631 CA GLU A 51 -14.367 2.608 -1.026 1.00 0.00 C ATOM 632 C GLU A 51 -12.979 3.217 -1.058 1.00 0.00 C ATOM 633 O GLU A 51 -12.577 3.902 -0.124 1.00 0.00 O ATOM 634 CB GLU A 51 -15.379 3.590 -1.607 1.00 0.00 C ATOM 635 CG GLU A 51 -16.763 2.999 -1.806 1.00 0.00 C ATOM 636 CD GLU A 51 -16.753 1.839 -2.771 1.00 0.00 C ATOM 637 OE1 GLU A 51 -16.297 2.025 -3.921 1.00 0.00 O ATOM 638 OE2 GLU A 51 -17.201 0.738 -2.393 1.00 0.00 O ATOM 0 H GLU A 51 -14.985 3.051 0.916 1.00 0.00 H new ATOM 0 HA GLU A 51 -14.362 1.700 -1.630 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.455 4.453 -0.946 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -15.009 3.954 -2.565 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -17.156 2.667 -0.845 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -17.437 3.772 -2.176 1.00 0.00 H new ATOM 645 N GLN A 52 -12.246 2.957 -2.124 1.00 0.00 N ATOM 646 CA GLN A 52 -10.916 3.513 -2.274 1.00 0.00 C ATOM 647 C GLN A 52 -10.725 4.152 -3.636 1.00 0.00 C ATOM 648 O GLN A 52 -9.884 3.712 -4.420 1.00 0.00 O ATOM 649 CB GLN A 52 -9.822 2.463 -2.041 1.00 0.00 C ATOM 650 CG GLN A 52 -9.637 2.057 -0.590 1.00 0.00 C ATOM 651 CD GLN A 52 -8.347 1.291 -0.373 1.00 0.00 C ATOM 652 OE1 GLN A 52 -8.307 0.079 -0.479 1.00 0.00 O ATOM 653 NE2 GLN A 52 -7.282 2.005 -0.071 1.00 0.00 N ATOM 0 H GLN A 52 -12.549 2.365 -2.897 1.00 0.00 H new ATOM 0 HA GLN A 52 -10.822 4.283 -1.508 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -10.059 1.574 -2.626 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -8.877 2.852 -2.420 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.640 2.948 0.038 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.480 1.442 -0.275 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -7.354 3.019 0.009 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.385 1.544 0.083 1.00 0.00 H new ATOM 662 N SER A 53 -11.550 5.143 -3.950 1.00 0.00 N ATOM 663 CA SER A 53 -11.381 5.926 -5.166 1.00 0.00 C ATOM 664 C SER A 53 -9.978 6.567 -5.187 1.00 0.00 C ATOM 665 O SER A 53 -9.341 6.671 -4.141 1.00 0.00 O ATOM 666 CB SER A 53 -12.465 7.006 -5.200 1.00 0.00 C ATOM 667 OG SER A 53 -13.733 6.444 -4.904 1.00 0.00 O ATOM 0 H SER A 53 -12.345 5.424 -3.377 1.00 0.00 H new ATOM 0 HA SER A 53 -11.474 5.286 -6.043 1.00 0.00 H new ATOM 0 HB2 SER A 53 -12.230 7.789 -4.479 1.00 0.00 H new ATOM 0 HB3 SER A 53 -12.489 7.475 -6.184 1.00 0.00 H new ATOM 0 HG SER A 53 -14.416 7.147 -4.928 1.00 0.00 H new ATOM 673 N PRO A 54 -9.485 7.000 -6.379 1.00 0.00 N ATOM 674 CA PRO A 54 -8.149 7.607 -6.549 1.00 0.00 C ATOM 675 C PRO A 54 -7.732 8.524 -5.392 1.00 0.00 C ATOM 676 O PRO A 54 -6.622 8.406 -4.872 1.00 0.00 O ATOM 677 CB PRO A 54 -8.286 8.419 -7.851 1.00 0.00 C ATOM 678 CG PRO A 54 -9.676 8.153 -8.366 1.00 0.00 C ATOM 679 CD PRO A 54 -10.172 6.924 -7.662 1.00 0.00 C ATOM 0 HA PRO A 54 -7.374 6.841 -6.575 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -8.137 9.482 -7.664 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -7.535 8.115 -8.581 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -10.330 9.002 -8.169 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.666 8.003 -9.446 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.256 6.933 -7.544 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -9.918 6.014 -8.206 1.00 0.00 H new ATOM 687 N GLU A 55 -8.632 9.424 -4.992 1.00 0.00 N ATOM 688 CA GLU A 55 -8.360 10.360 -3.901 1.00 0.00 C ATOM 689 C GLU A 55 -8.043 9.624 -2.598 1.00 0.00 C ATOM 690 O GLU A 55 -7.074 9.942 -1.910 1.00 0.00 O ATOM 691 CB GLU A 55 -9.557 11.282 -3.683 1.00 0.00 C ATOM 692 CG GLU A 55 -9.920 12.133 -4.886 1.00 0.00 C ATOM 693 CD GLU A 55 -11.118 13.014 -4.619 1.00 0.00 C ATOM 694 OE1 GLU A 55 -10.936 14.137 -4.105 1.00 0.00 O ATOM 695 OE2 GLU A 55 -12.252 12.581 -4.904 1.00 0.00 O ATOM 0 H GLU A 55 -9.558 9.524 -5.409 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.489 10.950 -4.185 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.421 10.677 -3.407 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.345 11.939 -2.839 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.068 12.755 -5.160 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.129 11.486 -5.737 1.00 0.00 H new ATOM 702 N LEU A 56 -8.859 8.634 -2.275 1.00 0.00 N ATOM 703 CA LEU A 56 -8.690 7.872 -1.047 1.00 0.00 C ATOM 704 C LEU A 56 -7.488 6.945 -1.146 1.00 0.00 C ATOM 705 O LEU A 56 -6.791 6.715 -0.163 1.00 0.00 O ATOM 706 CB LEU A 56 -9.958 7.067 -0.706 1.00 0.00 C ATOM 707 CG LEU A 56 -11.210 7.886 -0.345 1.00 0.00 C ATOM 708 CD1 LEU A 56 -11.849 8.499 -1.581 1.00 0.00 C ATOM 709 CD2 LEU A 56 -12.211 7.025 0.403 1.00 0.00 C ATOM 0 H LEU A 56 -9.649 8.338 -2.849 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.515 8.585 -0.241 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -10.199 6.431 -1.558 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.729 6.406 0.130 1.00 0.00 H new ATOM 0 HG LEU A 56 -10.898 8.703 0.306 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -12.730 9.070 -1.290 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -11.134 9.160 -2.071 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -12.142 7.707 -2.270 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -13.090 7.620 0.650 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -12.507 6.184 -0.224 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -11.756 6.652 1.320 1.00 0.00 H new ATOM 721 N SER A 57 -7.254 6.416 -2.338 1.00 0.00 N ATOM 722 CA SER A 57 -6.116 5.547 -2.579 1.00 0.00 C ATOM 723 C SER A 57 -4.817 6.317 -2.328 1.00 0.00 C ATOM 724 O SER A 57 -3.997 5.917 -1.500 1.00 0.00 O ATOM 725 CB SER A 57 -6.166 5.013 -4.015 1.00 0.00 C ATOM 726 OG SER A 57 -5.129 4.087 -4.265 1.00 0.00 O ATOM 0 H SER A 57 -7.842 6.576 -3.156 1.00 0.00 H new ATOM 0 HA SER A 57 -6.152 4.699 -1.895 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.130 4.536 -4.193 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.088 5.845 -4.715 1.00 0.00 H new ATOM 0 HG SER A 57 -5.193 3.766 -5.189 1.00 0.00 H new ATOM 732 N ALA A 58 -4.640 7.424 -3.054 1.00 0.00 N ATOM 733 CA ALA A 58 -3.500 8.319 -2.858 1.00 0.00 C ATOM 734 C ALA A 58 -3.313 8.671 -1.376 1.00 0.00 C ATOM 735 O ALA A 58 -2.196 8.830 -0.908 1.00 0.00 O ATOM 736 CB ALA A 58 -3.679 9.585 -3.680 1.00 0.00 C ATOM 0 H ALA A 58 -5.280 7.723 -3.790 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.603 7.798 -3.194 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.824 10.243 -3.525 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.751 9.326 -4.736 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.590 10.095 -3.368 1.00 0.00 H new ATOM 742 N LYS A 59 -4.417 8.758 -0.652 1.00 0.00 N ATOM 743 CA LYS A 59 -4.392 9.076 0.771 1.00 0.00 C ATOM 744 C LYS A 59 -3.770 7.927 1.587 1.00 0.00 C ATOM 745 O LYS A 59 -2.841 8.143 2.370 1.00 0.00 O ATOM 746 CB LYS A 59 -5.820 9.369 1.259 1.00 0.00 C ATOM 747 CG LYS A 59 -5.946 9.595 2.754 1.00 0.00 C ATOM 748 CD LYS A 59 -7.397 9.832 3.148 1.00 0.00 C ATOM 749 CE LYS A 59 -7.556 9.931 4.655 1.00 0.00 C ATOM 750 NZ LYS A 59 -8.969 10.163 5.051 1.00 0.00 N ATOM 0 H LYS A 59 -5.353 8.611 -1.030 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.772 9.960 0.918 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.193 10.252 0.739 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.464 8.536 0.976 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.556 8.730 3.291 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.341 10.452 3.048 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.756 10.750 2.682 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -8.016 9.019 2.769 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.196 9.013 5.119 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.935 10.744 5.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -9.034 10.224 6.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.306 11.052 4.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.558 9.375 4.714 1.00 0.00 H new ATOM 764 N VAL A 60 -4.295 6.712 1.395 1.00 0.00 N ATOM 765 CA VAL A 60 -3.807 5.522 2.123 1.00 0.00 C ATOM 766 C VAL A 60 -2.333 5.209 1.836 1.00 0.00 C ATOM 767 O VAL A 60 -1.701 4.490 2.591 1.00 0.00 O ATOM 768 CB VAL A 60 -4.665 4.247 1.866 1.00 0.00 C ATOM 769 CG1 VAL A 60 -6.147 4.544 2.009 1.00 0.00 C ATOM 770 CG2 VAL A 60 -4.351 3.614 0.514 1.00 0.00 C ATOM 0 H VAL A 60 -5.057 6.521 0.744 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.907 5.792 3.174 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.397 3.517 2.630 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.720 3.635 1.824 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.351 4.902 3.018 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.436 5.308 1.288 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.971 2.728 0.374 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.559 4.331 -0.280 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.299 3.330 0.481 1.00 0.00 H new ATOM 780 N VAL A 61 -1.801 5.750 0.742 1.00 0.00 N ATOM 781 CA VAL A 61 -0.406 5.491 0.380 1.00 0.00 C ATOM 782 C VAL A 61 0.499 6.684 0.751 1.00 0.00 C ATOM 783 O VAL A 61 1.659 6.508 1.114 1.00 0.00 O ATOM 784 CB VAL A 61 -0.233 5.097 -1.124 1.00 0.00 C ATOM 785 CG1 VAL A 61 -0.640 6.223 -2.057 1.00 0.00 C ATOM 786 CG2 VAL A 61 1.196 4.643 -1.410 1.00 0.00 C ATOM 0 H VAL A 61 -2.304 6.361 0.099 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.090 4.628 0.966 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.904 4.259 -1.316 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.504 5.906 -3.091 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.687 6.474 -1.889 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.021 7.099 -1.862 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.289 4.375 -2.462 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.888 5.453 -1.179 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.433 3.776 -0.793 1.00 0.00 H new ATOM 796 N GLU A 62 -0.064 7.885 0.659 1.00 0.00 N ATOM 797 CA GLU A 62 0.640 9.130 1.008 1.00 0.00 C ATOM 798 C GLU A 62 1.279 9.046 2.404 1.00 0.00 C ATOM 799 O GLU A 62 2.465 9.321 2.567 1.00 0.00 O ATOM 800 CB GLU A 62 -0.320 10.317 0.941 1.00 0.00 C ATOM 801 CG GLU A 62 0.344 11.667 1.134 1.00 0.00 C ATOM 802 CD GLU A 62 -0.632 12.807 0.988 1.00 0.00 C ATOM 803 OE1 GLU A 62 -0.861 13.257 -0.152 1.00 0.00 O ATOM 804 OE2 GLU A 62 -1.186 13.256 2.012 1.00 0.00 O ATOM 0 H GLU A 62 -1.022 8.030 0.341 1.00 0.00 H new ATOM 0 HA GLU A 62 1.440 9.273 0.282 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.824 10.308 -0.025 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.089 10.191 1.703 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.802 11.707 2.122 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.147 11.783 0.406 1.00 0.00 H new ATOM 811 N LYS A 63 0.483 8.675 3.398 1.00 0.00 N ATOM 812 CA LYS A 63 0.970 8.536 4.767 1.00 0.00 C ATOM 813 C LYS A 63 1.621 7.176 4.969 1.00 0.00 C ATOM 814 O LYS A 63 2.387 6.974 5.892 1.00 0.00 O ATOM 815 CB LYS A 63 -0.162 8.713 5.776 1.00 0.00 C ATOM 816 CG LYS A 63 -0.854 10.065 5.714 1.00 0.00 C ATOM 817 CD LYS A 63 -1.774 10.273 6.911 1.00 0.00 C ATOM 818 CE LYS A 63 -2.829 9.181 7.010 1.00 0.00 C ATOM 819 NZ LYS A 63 -3.652 9.322 8.231 1.00 0.00 N ATOM 0 H LYS A 63 -0.508 8.464 3.282 1.00 0.00 H new ATOM 0 HA LYS A 63 1.711 9.318 4.932 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.904 7.931 5.612 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.237 8.569 6.780 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.106 10.857 5.686 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.431 10.138 4.792 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.182 10.290 7.826 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.263 11.244 6.829 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.473 9.217 6.131 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.343 8.205 7.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.359 8.560 8.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.041 9.262 9.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.135 10.243 8.219 1.00 0.00 H new ATOM 833 N LEU A 64 1.306 6.256 4.093 1.00 0.00 N ATOM 834 CA LEU A 64 1.775 4.881 4.183 1.00 0.00 C ATOM 835 C LEU A 64 3.292 4.764 4.063 1.00 0.00 C ATOM 836 O LEU A 64 3.866 3.773 4.480 1.00 0.00 O ATOM 837 CB LEU A 64 1.101 4.006 3.135 1.00 0.00 C ATOM 838 CG LEU A 64 1.363 2.517 3.249 1.00 0.00 C ATOM 839 CD1 LEU A 64 0.828 2.011 4.571 1.00 0.00 C ATOM 840 CD2 LEU A 64 0.728 1.771 2.087 1.00 0.00 C ATOM 0 H LEU A 64 0.710 6.435 3.285 1.00 0.00 H new ATOM 0 HA LEU A 64 1.500 4.529 5.177 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.025 4.171 3.189 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.426 4.338 2.149 1.00 0.00 H new ATOM 0 HG LEU A 64 2.438 2.338 3.210 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.016 0.941 4.654 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.327 2.531 5.389 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.245 2.196 4.624 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.927 0.704 2.187 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.349 1.941 2.090 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.149 2.132 1.149 1.00 0.00 H new ATOM 852 N ASN A 65 3.950 5.800 3.555 1.00 0.00 N ATOM 853 CA ASN A 65 5.366 5.676 3.216 1.00 0.00 C ATOM 854 C ASN A 65 6.190 5.937 4.461 1.00 0.00 C ATOM 855 O ASN A 65 7.395 5.704 4.498 1.00 0.00 O ATOM 856 CB ASN A 65 5.764 6.664 2.103 1.00 0.00 C ATOM 857 CG ASN A 65 5.799 8.115 2.571 1.00 0.00 C ATOM 858 OD1 ASN A 65 5.040 8.519 3.451 1.00 0.00 O ATOM 859 ND2 ASN A 65 6.689 8.903 1.992 1.00 0.00 N ATOM 0 H ASN A 65 3.539 6.715 3.371 1.00 0.00 H new ATOM 0 HA ASN A 65 5.553 4.668 2.845 1.00 0.00 H new ATOM 0 HB2 ASN A 65 6.746 6.390 1.717 1.00 0.00 H new ATOM 0 HB3 ASN A 65 5.060 6.573 1.276 1.00 0.00 H new ATOM 0 HD21 ASN A 65 6.763 9.881 2.272 1.00 0.00 H new ATOM 0 HD22 ASN A 65 7.302 8.533 1.266 1.00 0.00 H new ATOM 866 N GLN A 66 5.500 6.391 5.497 1.00 0.00 N ATOM 867 CA GLN A 66 6.131 6.760 6.736 1.00 0.00 C ATOM 868 C GLN A 66 6.248 5.530 7.621 1.00 0.00 C ATOM 869 O GLN A 66 7.096 5.457 8.502 1.00 0.00 O ATOM 870 CB GLN A 66 5.333 7.872 7.430 1.00 0.00 C ATOM 871 CG GLN A 66 4.107 7.398 8.180 1.00 0.00 C ATOM 872 CD GLN A 66 3.208 8.542 8.578 1.00 0.00 C ATOM 873 OE1 GLN A 66 3.671 9.653 8.834 1.00 0.00 O ATOM 874 NE2 GLN A 66 1.920 8.289 8.609 1.00 0.00 N ATOM 0 H GLN A 66 4.487 6.511 5.493 1.00 0.00 H new ATOM 0 HA GLN A 66 7.131 7.147 6.540 1.00 0.00 H new ATOM 0 HB2 GLN A 66 5.991 8.391 8.127 1.00 0.00 H new ATOM 0 HB3 GLN A 66 5.024 8.601 6.680 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.549 6.699 7.557 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.416 6.853 9.072 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.579 7.353 8.390 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.261 9.028 8.852 1.00 0.00 H new ATOM 883 N VAL A 67 5.374 4.562 7.367 1.00 0.00 N ATOM 884 CA VAL A 67 5.360 3.314 8.106 1.00 0.00 C ATOM 885 C VAL A 67 6.689 2.572 7.952 1.00 0.00 C ATOM 886 O VAL A 67 7.320 2.205 8.941 1.00 0.00 O ATOM 887 CB VAL A 67 4.195 2.405 7.647 1.00 0.00 C ATOM 888 CG1 VAL A 67 4.123 1.155 8.501 1.00 0.00 C ATOM 889 CG2 VAL A 67 2.877 3.161 7.698 1.00 0.00 C ATOM 0 H VAL A 67 4.658 4.624 6.643 1.00 0.00 H new ATOM 0 HA VAL A 67 5.215 3.560 9.158 1.00 0.00 H new ATOM 0 HB VAL A 67 4.381 2.105 6.616 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.297 0.530 8.162 1.00 0.00 H new ATOM 0 HG12 VAL A 67 5.057 0.601 8.414 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.962 1.434 9.542 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.069 2.506 7.372 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.686 3.492 8.719 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.929 4.028 7.040 1.00 0.00 H new ATOM 899 N CYS A 68 7.123 2.379 6.711 1.00 0.00 N ATOM 900 CA CYS A 68 8.394 1.700 6.453 1.00 0.00 C ATOM 901 C CYS A 68 9.563 2.637 6.732 1.00 0.00 C ATOM 902 O CYS A 68 10.714 2.210 6.798 1.00 0.00 O ATOM 903 CB CYS A 68 8.461 1.200 5.013 1.00 0.00 C ATOM 904 SG CYS A 68 6.999 0.261 4.481 1.00 0.00 S ATOM 0 H CYS A 68 6.622 2.678 5.874 1.00 0.00 H new ATOM 0 HA CYS A 68 8.459 0.841 7.121 1.00 0.00 H new ATOM 0 HB2 CYS A 68 8.591 2.055 4.349 1.00 0.00 H new ATOM 0 HB3 CYS A 68 9.344 0.571 4.899 1.00 0.00 H new ATOM 909 N ALA A 69 9.257 3.922 6.885 1.00 0.00 N ATOM 910 CA ALA A 69 10.274 4.903 7.219 1.00 0.00 C ATOM 911 C ALA A 69 10.641 4.784 8.690 1.00 0.00 C ATOM 912 O ALA A 69 11.778 5.031 9.083 1.00 0.00 O ATOM 913 CB ALA A 69 9.793 6.310 6.899 1.00 0.00 C ATOM 0 H ALA A 69 8.316 4.303 6.783 1.00 0.00 H new ATOM 0 HA ALA A 69 11.161 4.707 6.616 1.00 0.00 H new ATOM 0 HB1 ALA A 69 10.571 7.028 7.157 1.00 0.00 H new ATOM 0 HB2 ALA A 69 9.569 6.385 5.835 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.893 6.527 7.475 1.00 0.00 H new ATOM 919 N LYS A 70 9.662 4.397 9.501 1.00 0.00 N ATOM 920 CA LYS A 70 9.869 4.222 10.932 1.00 0.00 C ATOM 921 C LYS A 70 10.357 2.815 11.237 1.00 0.00 C ATOM 922 O LYS A 70 10.982 2.574 12.272 1.00 0.00 O ATOM 923 CB LYS A 70 8.576 4.494 11.693 1.00 0.00 C ATOM 924 CG LYS A 70 8.027 5.887 11.475 1.00 0.00 C ATOM 925 CD LYS A 70 6.707 6.075 12.187 1.00 0.00 C ATOM 926 CE LYS A 70 6.070 7.397 11.815 1.00 0.00 C ATOM 927 NZ LYS A 70 6.897 8.559 12.236 1.00 0.00 N ATOM 0 H LYS A 70 8.712 4.198 9.188 1.00 0.00 H new ATOM 0 HA LYS A 70 10.629 4.934 11.253 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.825 3.765 11.389 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.753 4.345 12.758 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.745 6.624 11.835 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.896 6.065 10.408 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.033 5.258 11.931 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.863 6.033 13.265 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.918 7.434 10.736 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.086 7.467 12.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.383 9.441 12.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.093 8.495 13.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.794 8.555 11.710 1.00 0.00 H new ATOM 941 N ASP A 71 10.079 1.894 10.332 1.00 0.00 N ATOM 942 CA ASP A 71 10.495 0.506 10.487 1.00 0.00 C ATOM 943 C ASP A 71 10.642 -0.134 9.110 1.00 0.00 C ATOM 944 O ASP A 71 9.650 -0.349 8.410 1.00 0.00 O ATOM 945 CB ASP A 71 9.483 -0.279 11.329 1.00 0.00 C ATOM 946 CG ASP A 71 9.956 -1.682 11.646 1.00 0.00 C ATOM 947 OD1 ASP A 71 9.834 -2.568 10.783 1.00 0.00 O ATOM 948 OD2 ASP A 71 10.449 -1.908 12.774 1.00 0.00 O ATOM 0 H ASP A 71 9.562 2.082 9.473 1.00 0.00 H new ATOM 0 HA ASP A 71 11.453 0.483 11.006 1.00 0.00 H new ATOM 0 HB2 ASP A 71 9.296 0.257 12.260 1.00 0.00 H new ATOM 0 HB3 ASP A 71 8.534 -0.331 10.795 1.00 0.00 H new ATOM 953 N PRO A 72 11.881 -0.435 8.697 1.00 0.00 N ATOM 954 CA PRO A 72 12.167 -0.987 7.359 1.00 0.00 C ATOM 955 C PRO A 72 11.704 -2.437 7.186 1.00 0.00 C ATOM 956 O PRO A 72 11.656 -2.953 6.071 1.00 0.00 O ATOM 957 CB PRO A 72 13.692 -0.899 7.265 1.00 0.00 C ATOM 958 CG PRO A 72 14.164 -0.948 8.675 1.00 0.00 C ATOM 959 CD PRO A 72 13.110 -0.258 9.496 1.00 0.00 C ATOM 0 HA PRO A 72 11.635 -0.440 6.581 1.00 0.00 H new ATOM 0 HB2 PRO A 72 14.101 -1.725 6.682 1.00 0.00 H new ATOM 0 HB3 PRO A 72 14.005 0.023 6.775 1.00 0.00 H new ATOM 0 HG2 PRO A 72 14.301 -1.978 9.004 1.00 0.00 H new ATOM 0 HG3 PRO A 72 15.127 -0.449 8.780 1.00 0.00 H new ATOM 0 HD2 PRO A 72 13.014 -0.706 10.485 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.344 0.796 9.645 1.00 0.00 H new ATOM 967 N GLN A 73 11.372 -3.088 8.286 1.00 0.00 N ATOM 968 CA GLN A 73 10.923 -4.476 8.242 1.00 0.00 C ATOM 969 C GLN A 73 9.430 -4.575 7.959 1.00 0.00 C ATOM 970 O GLN A 73 8.837 -5.656 8.025 1.00 0.00 O ATOM 971 CB GLN A 73 11.285 -5.199 9.535 1.00 0.00 C ATOM 972 CG GLN A 73 12.778 -5.238 9.785 1.00 0.00 C ATOM 973 CD GLN A 73 13.536 -5.882 8.640 1.00 0.00 C ATOM 974 OE1 GLN A 73 13.041 -6.804 7.986 1.00 0.00 O ATOM 975 NE2 GLN A 73 14.714 -5.377 8.363 1.00 0.00 N ATOM 0 H GLN A 73 11.403 -2.683 9.221 1.00 0.00 H new ATOM 0 HA GLN A 73 11.441 -4.966 7.418 1.00 0.00 H new ATOM 0 HB2 GLN A 73 10.793 -4.704 10.373 1.00 0.00 H new ATOM 0 HB3 GLN A 73 10.901 -6.218 9.496 1.00 0.00 H new ATOM 0 HG2 GLN A 73 13.146 -4.223 9.936 1.00 0.00 H new ATOM 0 HG3 GLN A 73 12.976 -5.789 10.704 1.00 0.00 H new ATOM 0 HE21 GLN A 73 15.088 -4.615 8.928 1.00 0.00 H new ATOM 0 HE22 GLN A 73 15.256 -5.746 7.582 1.00 0.00 H new ATOM 984 N MET A 74 8.824 -3.449 7.655 1.00 0.00 N ATOM 985 CA MET A 74 7.417 -3.424 7.308 1.00 0.00 C ATOM 986 C MET A 74 7.229 -3.593 5.806 1.00 0.00 C ATOM 987 O MET A 74 7.748 -2.811 5.009 1.00 0.00 O ATOM 988 CB MET A 74 6.748 -2.136 7.785 1.00 0.00 C ATOM 989 CG MET A 74 5.276 -2.044 7.402 1.00 0.00 C ATOM 990 SD MET A 74 4.306 -3.457 7.976 1.00 0.00 S ATOM 991 CE MET A 74 4.494 -3.305 9.753 1.00 0.00 C ATOM 0 H MET A 74 9.282 -2.538 7.640 1.00 0.00 H new ATOM 0 HA MET A 74 6.938 -4.261 7.816 1.00 0.00 H new ATOM 0 HB2 MET A 74 6.839 -2.067 8.869 1.00 0.00 H new ATOM 0 HB3 MET A 74 7.280 -1.282 7.366 1.00 0.00 H new ATOM 0 HG2 MET A 74 4.855 -1.129 7.818 1.00 0.00 H new ATOM 0 HG3 MET A 74 5.193 -1.970 6.318 1.00 0.00 H new ATOM 0 HE1 MET A 74 3.787 -3.968 10.252 1.00 0.00 H new ATOM 0 HE2 MET A 74 5.510 -3.579 10.036 1.00 0.00 H new ATOM 0 HE3 MET A 74 4.299 -2.275 10.053 1.00 0.00 H new ATOM 1001 N LEU A 75 6.489 -4.613 5.432 1.00 0.00 N ATOM 1002 CA LEU A 75 6.230 -4.910 4.035 1.00 0.00 C ATOM 1003 C LEU A 75 5.006 -4.157 3.553 1.00 0.00 C ATOM 1004 O LEU A 75 4.128 -3.821 4.347 1.00 0.00 O ATOM 1005 CB LEU A 75 6.018 -6.408 3.857 1.00 0.00 C ATOM 1006 CG LEU A 75 7.136 -7.296 4.396 1.00 0.00 C ATOM 1007 CD1 LEU A 75 6.766 -8.759 4.248 1.00 0.00 C ATOM 1008 CD2 LEU A 75 8.447 -6.996 3.687 1.00 0.00 C ATOM 0 H LEU A 75 6.049 -5.261 6.085 1.00 0.00 H new ATOM 0 HA LEU A 75 7.090 -4.594 3.444 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.086 -6.687 4.349 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.892 -6.616 2.795 1.00 0.00 H new ATOM 0 HG LEU A 75 7.268 -7.081 5.456 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.573 -9.380 4.637 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.852 -8.961 4.806 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.607 -8.989 3.195 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.232 -7.639 4.085 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.334 -7.181 2.619 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.717 -5.952 3.848 1.00 0.00 H new ATOM 1020 N LEU A 76 4.941 -3.909 2.252 1.00 0.00 N ATOM 1021 CA LEU A 76 3.823 -3.177 1.663 1.00 0.00 C ATOM 1022 C LEU A 76 2.518 -3.952 1.858 1.00 0.00 C ATOM 1023 O LEU A 76 1.447 -3.359 2.007 1.00 0.00 O ATOM 1024 CB LEU A 76 4.093 -2.907 0.166 1.00 0.00 C ATOM 1025 CG LEU A 76 3.171 -1.883 -0.533 1.00 0.00 C ATOM 1026 CD1 LEU A 76 3.866 -1.296 -1.746 1.00 0.00 C ATOM 1027 CD2 LEU A 76 1.859 -2.528 -0.963 1.00 0.00 C ATOM 0 H LEU A 76 5.650 -4.204 1.581 1.00 0.00 H new ATOM 0 HA LEU A 76 3.722 -2.217 2.168 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.122 -2.564 0.063 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.017 -3.854 -0.369 1.00 0.00 H new ATOM 0 HG LEU A 76 2.951 -1.090 0.182 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.206 -0.576 -2.230 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.783 -0.796 -1.434 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.109 -2.094 -2.448 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.231 -1.784 -1.452 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.064 -3.342 -1.658 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.342 -2.920 -0.087 1.00 0.00 H new ATOM 1039 N ILE A 77 2.631 -5.280 1.881 1.00 0.00 N ATOM 1040 CA ILE A 77 1.478 -6.161 2.067 1.00 0.00 C ATOM 1041 C ILE A 77 0.758 -5.835 3.371 1.00 0.00 C ATOM 1042 O ILE A 77 -0.460 -5.677 3.400 1.00 0.00 O ATOM 1043 CB ILE A 77 1.911 -7.651 2.098 1.00 0.00 C ATOM 1044 CG1 ILE A 77 2.725 -8.009 0.851 1.00 0.00 C ATOM 1045 CG2 ILE A 77 0.694 -8.565 2.223 1.00 0.00 C ATOM 1046 CD1 ILE A 77 1.976 -7.813 -0.448 1.00 0.00 C ATOM 0 H ILE A 77 3.517 -5.773 1.772 1.00 0.00 H new ATOM 0 HA ILE A 77 0.807 -5.999 1.223 1.00 0.00 H new ATOM 0 HB ILE A 77 2.544 -7.800 2.973 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.629 -7.401 0.833 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.042 -9.049 0.923 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.020 -9.605 2.243 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.159 -8.335 3.144 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.032 -8.409 1.371 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.619 -8.088 -1.284 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.086 -8.442 -0.453 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.682 -6.768 -0.544 1.00 0.00 H new ATOM 1058 N THR A 78 1.526 -5.709 4.434 1.00 0.00 N ATOM 1059 CA THR A 78 0.978 -5.425 5.738 1.00 0.00 C ATOM 1060 C THR A 78 0.707 -3.929 5.879 1.00 0.00 C ATOM 1061 O THR A 78 -0.249 -3.520 6.526 1.00 0.00 O ATOM 1062 CB THR A 78 1.948 -5.881 6.839 1.00 0.00 C ATOM 1063 OG1 THR A 78 2.449 -7.188 6.513 1.00 0.00 O ATOM 1064 CG2 THR A 78 1.250 -5.933 8.193 1.00 0.00 C ATOM 0 H THR A 78 2.542 -5.801 4.416 1.00 0.00 H new ATOM 0 HA THR A 78 0.041 -5.971 5.845 1.00 0.00 H new ATOM 0 HB THR A 78 2.768 -5.165 6.900 1.00 0.00 H new ATOM 0 HG1 THR A 78 3.070 -7.484 7.211 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.958 -6.259 8.955 1.00 0.00 H new ATOM 0 HG22 THR A 78 0.874 -4.942 8.447 1.00 0.00 H new ATOM 0 HG23 THR A 78 0.418 -6.636 8.147 1.00 0.00 H new ATOM 1072 N ALA A 79 1.570 -3.128 5.261 1.00 0.00 N ATOM 1073 CA ALA A 79 1.451 -1.675 5.278 1.00 0.00 C ATOM 1074 C ALA A 79 0.033 -1.192 4.928 1.00 0.00 C ATOM 1075 O ALA A 79 -0.632 -0.549 5.752 1.00 0.00 O ATOM 1076 CB ALA A 79 2.479 -1.057 4.339 1.00 0.00 C ATOM 0 H ALA A 79 2.373 -3.470 4.733 1.00 0.00 H new ATOM 0 HA ALA A 79 1.648 -1.345 6.298 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.383 0.029 4.358 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.482 -1.338 4.661 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.309 -1.419 3.325 1.00 0.00 H new ATOM 1082 N ILE A 80 -0.441 -1.497 3.720 1.00 0.00 N ATOM 1083 CA ILE A 80 -1.769 -1.053 3.326 1.00 0.00 C ATOM 1084 C ILE A 80 -2.862 -1.819 4.081 1.00 0.00 C ATOM 1085 O ILE A 80 -3.945 -1.283 4.326 1.00 0.00 O ATOM 1086 CB ILE A 80 -1.999 -1.108 1.787 1.00 0.00 C ATOM 1087 CG1 ILE A 80 -3.361 -0.493 1.437 1.00 0.00 C ATOM 1088 CG2 ILE A 80 -1.892 -2.534 1.253 1.00 0.00 C ATOM 1089 CD1 ILE A 80 -3.576 -0.281 -0.041 1.00 0.00 C ATOM 0 H ILE A 80 0.063 -2.036 3.016 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.835 -0.002 3.608 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.214 -0.524 1.306 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.150 -1.141 1.819 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.458 0.464 1.949 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.058 -2.533 0.176 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.899 -2.929 1.466 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.643 -3.160 1.735 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.561 0.156 -0.206 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.810 0.392 -0.427 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.513 -1.238 -0.559 1.00 0.00 H new ATOM 1101 N ASP A 81 -2.562 -3.060 4.479 1.00 0.00 N ATOM 1102 CA ASP A 81 -3.496 -3.861 5.287 1.00 0.00 C ATOM 1103 C ASP A 81 -3.791 -3.124 6.587 1.00 0.00 C ATOM 1104 O ASP A 81 -4.935 -3.013 7.018 1.00 0.00 O ATOM 1105 CB ASP A 81 -2.897 -5.244 5.593 1.00 0.00 C ATOM 1106 CG ASP A 81 -3.796 -6.110 6.474 1.00 0.00 C ATOM 1107 OD1 ASP A 81 -3.814 -5.906 7.701 1.00 0.00 O ATOM 1108 OD2 ASP A 81 -4.477 -7.011 5.936 1.00 0.00 O ATOM 0 H ASP A 81 -1.685 -3.532 4.258 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.420 -4.004 4.727 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -2.708 -5.766 4.655 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.933 -5.114 6.086 1.00 0.00 H new ATOM 1113 N ASP A 82 -2.744 -2.592 7.175 1.00 0.00 N ATOM 1114 CA ASP A 82 -2.839 -1.824 8.404 1.00 0.00 C ATOM 1115 C ASP A 82 -3.660 -0.552 8.194 1.00 0.00 C ATOM 1116 O ASP A 82 -4.417 -0.133 9.078 1.00 0.00 O ATOM 1117 CB ASP A 82 -1.435 -1.470 8.903 1.00 0.00 C ATOM 1118 CG ASP A 82 -1.449 -0.603 10.139 1.00 0.00 C ATOM 1119 OD1 ASP A 82 -1.633 -1.147 11.252 1.00 0.00 O ATOM 1120 OD2 ASP A 82 -1.264 0.620 10.011 1.00 0.00 O ATOM 0 H ASP A 82 -1.794 -2.678 6.814 1.00 0.00 H new ATOM 0 HA ASP A 82 -3.346 -2.433 9.153 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.889 -2.389 9.117 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.893 -0.954 8.110 1.00 0.00 H new ATOM 1125 N THR A 83 -3.533 0.045 7.013 1.00 0.00 N ATOM 1126 CA THR A 83 -4.236 1.269 6.704 1.00 0.00 C ATOM 1127 C THR A 83 -5.729 1.008 6.435 1.00 0.00 C ATOM 1128 O THR A 83 -6.587 1.758 6.904 1.00 0.00 O ATOM 1129 CB THR A 83 -3.596 1.974 5.496 1.00 0.00 C ATOM 1130 OG1 THR A 83 -2.173 2.030 5.684 1.00 0.00 O ATOM 1131 CG2 THR A 83 -4.137 3.390 5.350 1.00 0.00 C ATOM 0 H THR A 83 -2.946 -0.307 6.257 1.00 0.00 H new ATOM 0 HA THR A 83 -4.158 1.920 7.575 1.00 0.00 H new ATOM 0 HB THR A 83 -3.837 1.412 4.593 1.00 0.00 H new ATOM 0 HG1 THR A 83 -1.789 1.139 5.544 1.00 0.00 H new ATOM 0 HG21 THR A 83 -3.671 3.871 4.490 1.00 0.00 H new ATOM 0 HG22 THR A 83 -5.217 3.354 5.205 1.00 0.00 H new ATOM 0 HG23 THR A 83 -3.911 3.961 6.251 1.00 0.00 H new ATOM 1139 N MET A 84 -6.040 -0.078 5.704 1.00 0.00 N ATOM 1140 CA MET A 84 -7.441 -0.422 5.407 1.00 0.00 C ATOM 1141 C MET A 84 -8.189 -0.785 6.688 1.00 0.00 C ATOM 1142 O MET A 84 -9.406 -0.640 6.770 1.00 0.00 O ATOM 1143 CB MET A 84 -7.560 -1.566 4.368 1.00 0.00 C ATOM 1144 CG MET A 84 -6.708 -2.779 4.667 1.00 0.00 C ATOM 1145 SD MET A 84 -7.525 -4.329 4.266 1.00 0.00 S ATOM 1146 CE MET A 84 -8.819 -4.331 5.507 1.00 0.00 C ATOM 0 H MET A 84 -5.352 -0.722 5.314 1.00 0.00 H new ATOM 0 HA MET A 84 -7.900 0.463 4.966 1.00 0.00 H new ATOM 0 HB2 MET A 84 -8.603 -1.877 4.307 1.00 0.00 H new ATOM 0 HB3 MET A 84 -7.285 -1.178 3.387 1.00 0.00 H new ATOM 0 HG2 MET A 84 -5.777 -2.710 4.104 1.00 0.00 H new ATOM 0 HG3 MET A 84 -6.442 -2.778 5.724 1.00 0.00 H new ATOM 0 HE1 MET A 84 -9.600 -5.034 5.217 1.00 0.00 H new ATOM 0 HE2 MET A 84 -8.401 -4.630 6.468 1.00 0.00 H new ATOM 0 HE3 MET A 84 -9.244 -3.331 5.591 1.00 0.00 H new ATOM 1156 N ARG A 85 -7.444 -1.237 7.690 1.00 0.00 N ATOM 1157 CA ARG A 85 -8.028 -1.574 8.983 1.00 0.00 C ATOM 1158 C ARG A 85 -8.305 -0.307 9.780 1.00 0.00 C ATOM 1159 O ARG A 85 -9.352 -0.173 10.406 1.00 0.00 O ATOM 1160 CB ARG A 85 -7.097 -2.493 9.783 1.00 0.00 C ATOM 1161 CG ARG A 85 -6.906 -3.874 9.179 1.00 0.00 C ATOM 1162 CD ARG A 85 -5.966 -4.722 10.025 1.00 0.00 C ATOM 1163 NE ARG A 85 -6.490 -4.934 11.379 1.00 0.00 N ATOM 1164 CZ ARG A 85 -5.877 -5.651 12.328 1.00 0.00 C ATOM 1165 NH1 ARG A 85 -4.703 -6.232 12.083 1.00 0.00 N ATOM 1166 NH2 ARG A 85 -6.444 -5.783 13.522 1.00 0.00 N ATOM 0 H ARG A 85 -6.436 -1.379 7.632 1.00 0.00 H new ATOM 0 HA ARG A 85 -8.965 -2.101 8.803 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -6.123 -2.012 9.875 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -7.494 -2.603 10.792 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -7.871 -4.373 9.093 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -6.505 -3.780 8.170 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -5.811 -5.686 9.540 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -4.992 -4.235 10.084 1.00 0.00 H new ATOM 0 HE ARG A 85 -7.385 -4.504 11.613 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -4.266 -6.132 11.167 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -4.242 -6.777 12.811 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -7.342 -5.339 13.712 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -5.981 -6.328 14.249 1.00 0.00 H new ATOM 1180 N ALA A 86 -7.358 0.626 9.736 1.00 0.00 N ATOM 1181 CA ALA A 86 -7.473 1.884 10.463 1.00 0.00 C ATOM 1182 C ALA A 86 -8.626 2.733 9.941 1.00 0.00 C ATOM 1183 O ALA A 86 -9.470 3.186 10.711 1.00 0.00 O ATOM 1184 CB ALA A 86 -6.167 2.662 10.380 1.00 0.00 C ATOM 0 H ALA A 86 -6.496 0.532 9.199 1.00 0.00 H new ATOM 0 HA ALA A 86 -7.683 1.645 11.506 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.267 3.599 10.927 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -5.363 2.070 10.817 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.935 2.874 9.336 1.00 0.00 H new ATOM 1190 N ILE A 87 -8.664 2.946 8.636 1.00 0.00 N ATOM 1191 CA ILE A 87 -9.718 3.760 8.044 1.00 0.00 C ATOM 1192 C ILE A 87 -11.078 3.058 8.116 1.00 0.00 C ATOM 1193 O ILE A 87 -12.102 3.695 8.368 1.00 0.00 O ATOM 1194 CB ILE A 87 -9.409 4.156 6.571 1.00 0.00 C ATOM 1195 CG1 ILE A 87 -9.243 2.911 5.686 1.00 0.00 C ATOM 1196 CG2 ILE A 87 -8.162 5.031 6.508 1.00 0.00 C ATOM 1197 CD1 ILE A 87 -9.057 3.222 4.215 1.00 0.00 C ATOM 0 H ILE A 87 -7.987 2.572 7.971 1.00 0.00 H new ATOM 0 HA ILE A 87 -9.759 4.674 8.636 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.255 4.727 6.188 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.384 2.340 6.038 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -10.120 2.274 5.804 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -7.958 5.300 5.472 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -8.323 5.936 7.093 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -7.312 4.483 6.914 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -8.947 2.292 3.658 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -9.926 3.766 3.845 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.164 3.832 4.082 1.00 0.00 H new ATOM 1209 N GLY A 88 -11.072 1.745 7.917 1.00 0.00 N ATOM 1210 CA GLY A 88 -12.304 0.975 7.923 1.00 0.00 C ATOM 1211 C GLY A 88 -12.862 0.680 9.304 1.00 0.00 C ATOM 1212 O GLY A 88 -13.721 -0.197 9.444 1.00 0.00 O ATOM 0 H GLY A 88 -10.229 1.195 7.750 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -13.057 1.516 7.350 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -12.129 0.031 7.408 1.00 0.00 H new ATOM 1216 N LYS A 89 -12.401 1.390 10.324 1.00 0.00 N ATOM 1217 CA LYS A 89 -12.916 1.182 11.668 1.00 0.00 C ATOM 1218 C LYS A 89 -14.374 1.598 11.760 1.00 0.00 C ATOM 1219 O LYS A 89 -14.793 2.584 11.141 1.00 0.00 O ATOM 1220 CB LYS A 89 -12.110 1.971 12.694 1.00 0.00 C ATOM 1221 CG LYS A 89 -10.739 1.402 13.006 1.00 0.00 C ATOM 1222 CD LYS A 89 -10.002 2.278 14.014 1.00 0.00 C ATOM 1223 CE LYS A 89 -10.784 2.407 15.316 1.00 0.00 C ATOM 1224 NZ LYS A 89 -10.148 3.357 16.255 1.00 0.00 N ATOM 0 H LYS A 89 -11.680 2.107 10.248 1.00 0.00 H new ATOM 0 HA LYS A 89 -12.828 0.117 11.885 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -11.989 2.992 12.332 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.683 2.027 13.619 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -10.842 0.392 13.403 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -10.155 1.326 12.089 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -9.020 1.852 14.219 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.838 3.267 13.587 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -11.799 2.739 15.097 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -10.863 1.428 15.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -10.713 3.414 17.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -9.189 3.028 16.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -10.095 4.298 15.815 1.00 0.00 H new ATOM 1238 N LYS A 90 -15.142 0.842 12.518 1.00 0.00 N ATOM 1239 CA LYS A 90 -16.544 1.154 12.740 1.00 0.00 C ATOM 1240 C LYS A 90 -16.686 2.407 13.616 1.00 0.00 C ATOM 1241 O LYS A 90 -16.605 2.296 14.858 1.00 0.00 O ATOM 1242 CB LYS A 90 -17.275 -0.049 13.367 1.00 0.00 C ATOM 1243 CG LYS A 90 -16.600 -0.622 14.608 1.00 0.00 C ATOM 1244 CD LYS A 90 -17.389 -1.782 15.183 1.00 0.00 C ATOM 1245 CE LYS A 90 -16.716 -2.354 16.417 1.00 0.00 C ATOM 1246 NZ LYS A 90 -17.435 -3.542 16.934 1.00 0.00 N ATOM 1247 OXT LYS A 90 -16.860 3.506 13.057 1.00 0.00 O ATOM 0 H LYS A 90 -14.818 0.001 12.995 1.00 0.00 H new ATOM 0 HA LYS A 90 -17.009 1.363 11.777 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -18.289 0.254 13.628 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -17.360 -0.837 12.619 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -15.593 -0.955 14.355 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -16.498 0.159 15.361 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -18.395 -1.449 15.437 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -17.493 -2.562 14.429 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -15.688 -2.627 16.177 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -16.670 -1.590 17.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -16.945 -3.904 17.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -18.408 -3.276 17.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -17.457 -4.280 16.202 1.00 0.00 H new TER 1261 LYS A 90