USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 518 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 105 ASN : amide:sc= 0.703 K(o=1.3,f=-1.4) USER MOD Set 1.2: A 108 LYS NZ :NH3+ -119:sc= 0.612 (180deg=-0.292!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HE2:sc= 0.235 K(o=0.24,f=-3.1!) USER MOD Single : A 88 LYS NZ :NH3+ 162:sc= -0.0491 (180deg=-0.38) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0886 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -0.285 K(o=-0.28,f=-5.1!) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 102 HIS : no HE2:sc= -3 K(o=-3,f=-5.4!) USER MOD Single : A 107 HIS : no HE2:sc= -1.44 K(o=-1.4,f=-2.1!) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot 131:sc= 0.119 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl 152:sc= -1.36 (180deg=-3.78!) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 130 THR OG1 : rot -6:sc= 1.18 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 1.22 (180deg=1.22) USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 138 ASN :FLIP amide:sc= -0.423 F(o=-1.4,f=-0.42) USER MOD Single : A 143 ASN :FLIP amide:sc= -0.0367 F(o=-1.4!,f=-0.037) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 75 15.823 5.415 1.806 1.00 0.00 N ATOM 2 CA GLY A 75 14.811 4.359 2.026 1.00 0.00 C ATOM 3 C GLY A 75 13.501 4.684 1.347 1.00 0.00 C ATOM 4 O GLY A 75 13.363 5.761 0.760 1.00 0.00 O ATOM 0 HA2 GLY A 75 15.190 3.409 1.649 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.644 4.233 3.096 1.00 0.00 H new ATOM 10 N PRO A 76 12.517 3.767 1.394 1.00 0.00 N ATOM 11 CA PRO A 76 11.199 3.978 0.781 1.00 0.00 C ATOM 12 C PRO A 76 10.495 5.219 1.332 1.00 0.00 C ATOM 13 O PRO A 76 10.384 5.398 2.545 1.00 0.00 O ATOM 14 CB PRO A 76 10.418 2.713 1.159 1.00 0.00 C ATOM 15 CG PRO A 76 11.462 1.693 1.454 1.00 0.00 C ATOM 16 CD PRO A 76 12.617 2.448 2.043 1.00 0.00 C ATOM 0 HA PRO A 76 11.275 4.143 -0.294 1.00 0.00 H new ATOM 0 HB2 PRO A 76 9.779 2.887 2.025 1.00 0.00 H new ATOM 0 HB3 PRO A 76 9.770 2.391 0.344 1.00 0.00 H new ATOM 0 HG2 PRO A 76 11.089 0.942 2.151 1.00 0.00 H new ATOM 0 HG3 PRO A 76 11.761 1.166 0.548 1.00 0.00 H new ATOM 0 HD2 PRO A 76 12.538 2.525 3.127 1.00 0.00 H new ATOM 0 HD3 PRO A 76 13.569 1.963 1.826 1.00 0.00 H new ATOM 24 N LEU A 77 10.020 6.067 0.434 1.00 0.00 N ATOM 25 CA LEU A 77 9.345 7.297 0.823 1.00 0.00 C ATOM 26 C LEU A 77 7.836 7.109 0.822 1.00 0.00 C ATOM 27 O LEU A 77 7.092 8.049 1.072 1.00 0.00 O ATOM 28 CB LEU A 77 9.708 8.458 -0.121 1.00 0.00 C ATOM 29 CG LEU A 77 11.194 8.826 -0.234 1.00 0.00 C ATOM 30 CD1 LEU A 77 11.918 7.895 -1.197 1.00 0.00 C ATOM 31 CD2 LEU A 77 11.347 10.273 -0.671 1.00 0.00 C ATOM 0 H LEU A 77 10.089 5.926 -0.574 1.00 0.00 H new ATOM 0 HA LEU A 77 9.680 7.542 1.831 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.344 8.210 -1.118 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.164 9.344 0.207 1.00 0.00 H new ATOM 0 HG LEU A 77 11.649 8.708 0.749 1.00 0.00 H new ATOM 0 HD11 LEU A 77 12.969 8.179 -1.257 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.840 6.869 -0.839 1.00 0.00 H new ATOM 0 HD13 LEU A 77 11.465 7.970 -2.185 1.00 0.00 H new ATOM 0 HD21 LEU A 77 12.406 10.520 -0.747 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.871 10.412 -1.642 1.00 0.00 H new ATOM 0 HD23 LEU A 77 10.874 10.926 0.062 1.00 0.00 H new ATOM 43 N GLY A 78 7.392 5.900 0.521 1.00 0.00 N ATOM 44 CA GLY A 78 5.968 5.629 0.476 1.00 0.00 C ATOM 45 C GLY A 78 5.456 5.597 -0.946 1.00 0.00 C ATOM 46 O GLY A 78 4.332 5.185 -1.205 1.00 0.00 O ATOM 0 H GLY A 78 7.989 5.101 0.307 1.00 0.00 H new ATOM 0 HA2 GLY A 78 5.763 4.674 0.960 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.433 6.393 1.040 1.00 0.00 H new ATOM 50 N SER A 79 6.300 6.032 -1.866 1.00 0.00 N ATOM 51 CA SER A 79 5.965 6.066 -3.276 1.00 0.00 C ATOM 52 C SER A 79 6.011 4.657 -3.878 1.00 0.00 C ATOM 53 O SER A 79 5.247 4.330 -4.792 1.00 0.00 O ATOM 54 CB SER A 79 6.946 6.984 -4.000 1.00 0.00 C ATOM 55 OG SER A 79 7.108 8.204 -3.291 1.00 0.00 O ATOM 0 H SER A 79 7.238 6.372 -1.654 1.00 0.00 H new ATOM 0 HA SER A 79 4.951 6.449 -3.394 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.910 6.486 -4.102 1.00 0.00 H new ATOM 0 HB3 SER A 79 6.585 7.188 -5.008 1.00 0.00 H new ATOM 0 HG SER A 79 7.742 8.779 -3.769 1.00 0.00 H new ATOM 61 N ASP A 80 6.913 3.837 -3.350 1.00 0.00 N ATOM 62 CA ASP A 80 7.104 2.465 -3.807 1.00 0.00 C ATOM 63 C ASP A 80 7.630 1.616 -2.661 1.00 0.00 C ATOM 64 O ASP A 80 8.820 1.661 -2.335 1.00 0.00 O ATOM 65 CB ASP A 80 8.095 2.421 -4.988 1.00 0.00 C ATOM 66 CG ASP A 80 8.379 1.012 -5.487 1.00 0.00 C ATOM 67 OD1 ASP A 80 7.501 0.406 -6.124 1.00 0.00 O ATOM 68 OD2 ASP A 80 9.497 0.508 -5.258 1.00 0.00 O ATOM 0 H ASP A 80 7.536 4.107 -2.589 1.00 0.00 H new ATOM 0 HA ASP A 80 6.146 2.070 -4.144 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.696 3.016 -5.810 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.032 2.886 -4.683 1.00 0.00 H new ATOM 73 N LEU A 81 6.748 0.888 -2.018 1.00 0.00 N ATOM 74 CA LEU A 81 7.148 0.033 -0.912 1.00 0.00 C ATOM 75 C LEU A 81 7.007 -1.425 -1.286 1.00 0.00 C ATOM 76 O LEU A 81 6.017 -1.824 -1.879 1.00 0.00 O ATOM 77 CB LEU A 81 6.329 0.327 0.348 1.00 0.00 C ATOM 78 CG LEU A 81 6.723 -0.495 1.584 1.00 0.00 C ATOM 79 CD1 LEU A 81 8.127 -0.143 2.042 1.00 0.00 C ATOM 80 CD2 LEU A 81 5.729 -0.295 2.710 1.00 0.00 C ATOM 0 H LEU A 81 5.752 0.866 -2.236 1.00 0.00 H new ATOM 0 HA LEU A 81 8.195 0.247 -0.697 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.427 1.386 0.588 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.277 0.146 0.130 1.00 0.00 H new ATOM 0 HG LEU A 81 6.709 -1.548 1.303 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.384 -0.738 2.919 1.00 0.00 H new ATOM 0 HD12 LEU A 81 8.835 -0.354 1.240 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.172 0.916 2.296 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.032 -0.888 3.573 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.700 0.759 2.987 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.739 -0.611 2.382 1.00 0.00 H new ATOM 92 N ILE A 82 7.998 -2.211 -0.948 1.00 0.00 N ATOM 93 CA ILE A 82 7.961 -3.622 -1.243 1.00 0.00 C ATOM 94 C ILE A 82 7.556 -4.394 0.003 1.00 0.00 C ATOM 95 O ILE A 82 7.895 -4.001 1.120 1.00 0.00 O ATOM 96 CB ILE A 82 9.328 -4.143 -1.732 1.00 0.00 C ATOM 97 CG1 ILE A 82 10.032 -3.089 -2.583 1.00 0.00 C ATOM 98 CG2 ILE A 82 9.131 -5.409 -2.543 1.00 0.00 C ATOM 99 CD1 ILE A 82 11.417 -3.498 -3.027 1.00 0.00 C ATOM 0 H ILE A 82 8.842 -1.898 -0.468 1.00 0.00 H new ATOM 0 HA ILE A 82 7.233 -3.772 -2.040 1.00 0.00 H new ATOM 0 HB ILE A 82 9.950 -4.360 -0.863 1.00 0.00 H new ATOM 0 HG12 ILE A 82 9.424 -2.879 -3.463 1.00 0.00 H new ATOM 0 HG13 ILE A 82 10.101 -2.161 -2.015 1.00 0.00 H new ATOM 0 HG21 ILE A 82 10.098 -5.775 -2.887 1.00 0.00 H new ATOM 0 HG22 ILE A 82 8.656 -6.169 -1.922 1.00 0.00 H new ATOM 0 HG23 ILE A 82 8.497 -5.195 -3.403 1.00 0.00 H new ATOM 0 HD11 ILE A 82 11.857 -2.701 -3.627 1.00 0.00 H new ATOM 0 HD12 ILE A 82 12.041 -3.680 -2.152 1.00 0.00 H new ATOM 0 HD13 ILE A 82 11.354 -4.409 -3.623 1.00 0.00 H new ATOM 111 N VAL A 83 6.830 -5.479 -0.185 1.00 0.00 N ATOM 112 CA VAL A 83 6.373 -6.306 0.920 1.00 0.00 C ATOM 113 C VAL A 83 6.457 -7.773 0.525 1.00 0.00 C ATOM 114 O VAL A 83 6.692 -8.089 -0.639 1.00 0.00 O ATOM 115 CB VAL A 83 4.913 -5.980 1.332 1.00 0.00 C ATOM 116 CG1 VAL A 83 4.788 -4.551 1.842 1.00 0.00 C ATOM 117 CG2 VAL A 83 3.969 -6.214 0.172 1.00 0.00 C ATOM 0 H VAL A 83 6.540 -5.813 -1.104 1.00 0.00 H new ATOM 0 HA VAL A 83 7.019 -6.097 1.773 1.00 0.00 H new ATOM 0 HB VAL A 83 4.638 -6.651 2.146 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.753 -4.354 2.122 1.00 0.00 H new ATOM 0 HG12 VAL A 83 5.431 -4.417 2.712 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.090 -3.857 1.058 1.00 0.00 H new ATOM 0 HG21 VAL A 83 2.950 -5.980 0.480 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.252 -5.573 -0.663 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.024 -7.258 -0.137 1.00 0.00 H new ATOM 127 N HIS A 84 6.255 -8.655 1.480 1.00 0.00 N ATOM 128 CA HIS A 84 6.332 -10.084 1.214 1.00 0.00 C ATOM 129 C HIS A 84 4.985 -10.770 1.382 1.00 0.00 C ATOM 130 O HIS A 84 4.456 -10.848 2.484 1.00 0.00 O ATOM 131 CB HIS A 84 7.366 -10.765 2.121 1.00 0.00 C ATOM 132 CG HIS A 84 8.795 -10.457 1.780 1.00 0.00 C ATOM 133 ND1 HIS A 84 9.631 -11.359 1.152 1.00 0.00 N ATOM 134 CD2 HIS A 84 9.542 -9.354 2.002 1.00 0.00 C ATOM 135 CE1 HIS A 84 10.824 -10.821 1.006 1.00 0.00 C ATOM 136 NE2 HIS A 84 10.797 -9.607 1.513 1.00 0.00 N ATOM 0 H HIS A 84 6.036 -8.414 2.447 1.00 0.00 H new ATOM 0 HA HIS A 84 6.643 -10.186 0.174 1.00 0.00 H new ATOM 0 HB2 HIS A 84 7.179 -10.465 3.152 1.00 0.00 H new ATOM 0 HB3 HIS A 84 7.219 -11.844 2.072 1.00 0.00 H new ATOM 0 HD1 HIS A 84 9.366 -12.296 0.849 1.00 0.00 H new ATOM 0 HD2 HIS A 84 9.212 -8.442 2.477 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.679 -11.295 0.548 1.00 0.00 H new ATOM 145 N GLU A 85 4.439 -11.260 0.285 1.00 0.00 N ATOM 146 CA GLU A 85 3.200 -12.041 0.321 1.00 0.00 C ATOM 147 C GLU A 85 3.518 -13.474 -0.063 1.00 0.00 C ATOM 148 O GLU A 85 3.897 -13.750 -1.203 1.00 0.00 O ATOM 149 CB GLU A 85 2.132 -11.473 -0.629 1.00 0.00 C ATOM 150 CG GLU A 85 1.628 -10.077 -0.275 1.00 0.00 C ATOM 151 CD GLU A 85 0.979 -9.983 1.088 1.00 0.00 C ATOM 152 OE1 GLU A 85 1.595 -10.371 2.093 1.00 0.00 O ATOM 153 OE2 GLU A 85 -0.156 -9.502 1.156 1.00 0.00 O ATOM 0 H GLU A 85 4.830 -11.135 -0.649 1.00 0.00 H new ATOM 0 HA GLU A 85 2.793 -11.994 1.331 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.542 -11.449 -1.639 1.00 0.00 H new ATOM 0 HB3 GLU A 85 1.283 -12.156 -0.646 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.464 -9.379 -0.317 1.00 0.00 H new ATOM 0 HG3 GLU A 85 0.910 -9.759 -1.031 1.00 0.00 H new ATOM 160 N GLY A 86 3.400 -14.382 0.896 1.00 0.00 N ATOM 161 CA GLY A 86 3.752 -15.769 0.647 1.00 0.00 C ATOM 162 C GLY A 86 5.254 -15.927 0.530 1.00 0.00 C ATOM 163 O GLY A 86 5.763 -16.964 0.092 1.00 0.00 O ATOM 0 H GLY A 86 3.068 -14.186 1.840 1.00 0.00 H new ATOM 0 HA2 GLY A 86 3.377 -16.396 1.456 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.273 -16.112 -0.270 1.00 0.00 H new ATOM 167 N GLY A 87 5.958 -14.886 0.936 1.00 0.00 N ATOM 168 CA GLY A 87 7.392 -14.868 0.852 1.00 0.00 C ATOM 169 C GLY A 87 7.878 -14.092 -0.356 1.00 0.00 C ATOM 170 O GLY A 87 9.032 -13.663 -0.401 1.00 0.00 O ATOM 0 H GLY A 87 5.548 -14.039 1.329 1.00 0.00 H new ATOM 0 HA2 GLY A 87 7.803 -14.424 1.758 1.00 0.00 H new ATOM 0 HA3 GLY A 87 7.765 -15.891 0.801 1.00 0.00 H new ATOM 174 N LYS A 88 6.987 -13.869 -1.315 1.00 0.00 N ATOM 175 CA LYS A 88 7.341 -13.177 -2.550 1.00 0.00 C ATOM 176 C LYS A 88 7.203 -11.678 -2.382 1.00 0.00 C ATOM 177 O LYS A 88 6.297 -11.203 -1.698 1.00 0.00 O ATOM 178 CB LYS A 88 6.461 -13.656 -3.707 1.00 0.00 C ATOM 179 CG LYS A 88 6.651 -15.122 -4.068 1.00 0.00 C ATOM 180 CD LYS A 88 8.080 -15.405 -4.504 1.00 0.00 C ATOM 181 CE LYS A 88 8.240 -16.837 -4.986 1.00 0.00 C ATOM 182 NZ LYS A 88 7.397 -17.118 -6.173 1.00 0.00 N ATOM 0 H LYS A 88 6.010 -14.158 -1.261 1.00 0.00 H new ATOM 0 HA LYS A 88 8.381 -13.409 -2.780 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.416 -13.490 -3.447 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.672 -13.046 -4.586 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.401 -15.745 -3.209 1.00 0.00 H new ATOM 0 HG3 LYS A 88 5.964 -15.393 -4.870 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.361 -14.718 -5.302 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.759 -15.222 -3.671 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.286 -17.023 -5.231 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.974 -17.523 -4.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 7.745 -17.973 -6.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 6.412 -17.266 -5.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 7.441 -16.312 -6.829 1.00 0.00 H new ATOM 196 N THR A 89 8.099 -10.937 -2.993 1.00 0.00 N ATOM 197 CA THR A 89 8.089 -9.506 -2.896 1.00 0.00 C ATOM 198 C THR A 89 7.170 -8.858 -3.922 1.00 0.00 C ATOM 199 O THR A 89 7.214 -9.176 -5.111 1.00 0.00 O ATOM 200 CB THR A 89 9.497 -8.943 -3.062 1.00 0.00 C ATOM 201 OG1 THR A 89 10.348 -9.922 -3.688 1.00 0.00 O ATOM 202 CG2 THR A 89 10.070 -8.524 -1.725 1.00 0.00 C ATOM 0 H THR A 89 8.852 -11.314 -3.569 1.00 0.00 H new ATOM 0 HA THR A 89 7.708 -9.269 -1.903 1.00 0.00 H new ATOM 0 HB THR A 89 9.444 -8.060 -3.699 1.00 0.00 H new ATOM 0 HG1 THR A 89 11.250 -9.553 -3.793 1.00 0.00 H new ATOM 0 HG21 THR A 89 11.074 -8.126 -1.868 1.00 0.00 H new ATOM 0 HG22 THR A 89 9.435 -7.757 -1.281 1.00 0.00 H new ATOM 0 HG23 THR A 89 10.113 -9.387 -1.061 1.00 0.00 H new ATOM 210 N TYR A 90 6.331 -7.960 -3.448 1.00 0.00 N ATOM 211 CA TYR A 90 5.440 -7.205 -4.303 1.00 0.00 C ATOM 212 C TYR A 90 5.578 -5.729 -4.012 1.00 0.00 C ATOM 213 O TYR A 90 5.676 -5.332 -2.849 1.00 0.00 O ATOM 214 CB TYR A 90 3.997 -7.636 -4.086 1.00 0.00 C ATOM 215 CG TYR A 90 3.693 -8.998 -4.630 1.00 0.00 C ATOM 216 CD1 TYR A 90 3.316 -9.158 -5.949 1.00 0.00 C ATOM 217 CD2 TYR A 90 3.788 -10.125 -3.832 1.00 0.00 C ATOM 218 CE1 TYR A 90 3.037 -10.398 -6.463 1.00 0.00 C ATOM 219 CE2 TYR A 90 3.515 -11.375 -4.335 1.00 0.00 C ATOM 220 CZ TYR A 90 3.137 -11.508 -5.656 1.00 0.00 C ATOM 221 OH TYR A 90 2.863 -12.751 -6.170 1.00 0.00 O ATOM 0 H TYR A 90 6.248 -7.733 -2.457 1.00 0.00 H new ATOM 0 HA TYR A 90 5.711 -7.398 -5.341 1.00 0.00 H new ATOM 0 HB2 TYR A 90 3.779 -7.623 -3.018 1.00 0.00 H new ATOM 0 HB3 TYR A 90 3.334 -6.909 -4.556 1.00 0.00 H new ATOM 0 HD1 TYR A 90 3.240 -8.290 -6.587 1.00 0.00 H new ATOM 0 HD2 TYR A 90 4.081 -10.021 -2.798 1.00 0.00 H new ATOM 0 HE1 TYR A 90 2.740 -10.503 -7.496 1.00 0.00 H new ATOM 0 HE2 TYR A 90 3.596 -12.246 -3.702 1.00 0.00 H new ATOM 0 HH TYR A 90 2.982 -13.427 -5.471 1.00 0.00 H new ATOM 231 N HIS A 91 5.584 -4.921 -5.052 1.00 0.00 N ATOM 232 CA HIS A 91 5.716 -3.482 -4.893 1.00 0.00 C ATOM 233 C HIS A 91 4.352 -2.834 -4.720 1.00 0.00 C ATOM 234 O HIS A 91 3.365 -3.262 -5.330 1.00 0.00 O ATOM 235 CB HIS A 91 6.426 -2.858 -6.102 1.00 0.00 C ATOM 236 CG HIS A 91 7.903 -3.109 -6.163 1.00 0.00 C ATOM 237 ND1 HIS A 91 8.833 -2.096 -6.172 1.00 0.00 N ATOM 238 CD2 HIS A 91 8.609 -4.260 -6.255 1.00 0.00 C ATOM 239 CE1 HIS A 91 10.042 -2.609 -6.270 1.00 0.00 C ATOM 240 NE2 HIS A 91 9.935 -3.922 -6.322 1.00 0.00 N ATOM 0 H HIS A 91 5.499 -5.234 -6.019 1.00 0.00 H new ATOM 0 HA HIS A 91 6.315 -3.303 -4.000 1.00 0.00 H new ATOM 0 HB2 HIS A 91 5.968 -3.244 -7.013 1.00 0.00 H new ATOM 0 HB3 HIS A 91 6.255 -1.782 -6.090 1.00 0.00 H new ATOM 0 HD2 HIS A 91 8.202 -5.260 -6.272 1.00 0.00 H new ATOM 0 HE1 HIS A 91 10.965 -2.049 -6.302 1.00 0.00 H new ATOM 0 HE2 HIS A 91 10.712 -4.578 -6.399 1.00 0.00 H new ATOM 249 N VAL A 92 4.297 -1.820 -3.890 1.00 0.00 N ATOM 250 CA VAL A 92 3.086 -1.070 -3.655 1.00 0.00 C ATOM 251 C VAL A 92 3.297 0.361 -4.099 1.00 0.00 C ATOM 252 O VAL A 92 4.218 1.034 -3.628 1.00 0.00 O ATOM 253 CB VAL A 92 2.687 -1.074 -2.166 1.00 0.00 C ATOM 254 CG1 VAL A 92 1.408 -0.278 -1.946 1.00 0.00 C ATOM 255 CG2 VAL A 92 2.534 -2.496 -1.647 1.00 0.00 C ATOM 0 H VAL A 92 5.099 -1.489 -3.354 1.00 0.00 H new ATOM 0 HA VAL A 92 2.284 -1.542 -4.223 1.00 0.00 H new ATOM 0 HB VAL A 92 3.487 -0.594 -1.602 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.146 -0.295 -0.888 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.562 0.753 -2.265 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.599 -0.721 -2.527 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.252 -2.471 -0.594 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.761 -3.010 -2.217 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.479 -3.027 -1.757 1.00 0.00 H new ATOM 265 N VAL A 93 2.462 0.813 -5.000 1.00 0.00 N ATOM 266 CA VAL A 93 2.560 2.153 -5.535 1.00 0.00 C ATOM 267 C VAL A 93 1.236 2.871 -5.359 1.00 0.00 C ATOM 268 O VAL A 93 0.179 2.332 -5.706 1.00 0.00 O ATOM 269 CB VAL A 93 2.928 2.134 -7.043 1.00 0.00 C ATOM 270 CG1 VAL A 93 3.083 3.548 -7.587 1.00 0.00 C ATOM 271 CG2 VAL A 93 4.196 1.329 -7.279 1.00 0.00 C ATOM 0 H VAL A 93 1.693 0.264 -5.385 1.00 0.00 H new ATOM 0 HA VAL A 93 3.348 2.674 -4.991 1.00 0.00 H new ATOM 0 HB VAL A 93 2.111 1.653 -7.580 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.341 3.505 -8.645 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.145 4.090 -7.464 1.00 0.00 H new ATOM 0 HG13 VAL A 93 3.874 4.063 -7.042 1.00 0.00 H new ATOM 0 HG21 VAL A 93 4.435 1.329 -8.343 1.00 0.00 H new ATOM 0 HG22 VAL A 93 5.020 1.776 -6.722 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.044 0.304 -6.942 1.00 0.00 H new ATOM 281 N CYS A 94 1.282 4.078 -4.835 1.00 0.00 N ATOM 282 CA CYS A 94 0.079 4.846 -4.623 1.00 0.00 C ATOM 283 C CYS A 94 -0.028 5.932 -5.667 1.00 0.00 C ATOM 284 O CYS A 94 0.789 6.852 -5.716 1.00 0.00 O ATOM 285 CB CYS A 94 0.050 5.439 -3.220 1.00 0.00 C ATOM 286 SG CYS A 94 -0.124 4.195 -1.907 1.00 0.00 S ATOM 0 H CYS A 94 2.142 4.546 -4.549 1.00 0.00 H new ATOM 0 HA CYS A 94 -0.779 4.181 -4.718 1.00 0.00 H new ATOM 0 HB2 CYS A 94 0.967 6.004 -3.054 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -0.777 6.146 -3.151 1.00 0.00 H new ATOM 291 N HIS A 95 -1.031 5.814 -6.505 1.00 0.00 N ATOM 292 CA HIS A 95 -1.240 6.751 -7.595 1.00 0.00 C ATOM 293 C HIS A 95 -1.999 7.963 -7.102 1.00 0.00 C ATOM 294 O HIS A 95 -1.915 9.042 -7.686 1.00 0.00 O ATOM 295 CB HIS A 95 -2.015 6.074 -8.732 1.00 0.00 C ATOM 296 CG HIS A 95 -1.444 4.748 -9.142 1.00 0.00 C ATOM 297 ND1 HIS A 95 -2.087 3.549 -8.912 1.00 0.00 N ATOM 298 CD2 HIS A 95 -0.284 4.433 -9.760 1.00 0.00 C ATOM 299 CE1 HIS A 95 -1.342 2.561 -9.367 1.00 0.00 C ATOM 300 NE2 HIS A 95 -0.246 3.070 -9.886 1.00 0.00 N ATOM 0 H HIS A 95 -1.726 5.069 -6.455 1.00 0.00 H new ATOM 0 HA HIS A 95 -0.269 7.072 -7.972 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -3.050 5.934 -8.422 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -2.028 6.737 -9.597 1.00 0.00 H new ATOM 0 HD2 HIS A 95 0.473 5.128 -10.093 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -1.590 1.511 -9.321 1.00 0.00 H new ATOM 0 HE2 HIS A 95 0.510 2.536 -10.313 1.00 0.00 H new ATOM 309 N GLU A 96 -2.729 7.779 -6.018 1.00 0.00 N ATOM 310 CA GLU A 96 -3.531 8.832 -5.430 1.00 0.00 C ATOM 311 C GLU A 96 -3.851 8.477 -3.990 1.00 0.00 C ATOM 312 O GLU A 96 -3.480 7.398 -3.520 1.00 0.00 O ATOM 313 CB GLU A 96 -4.822 9.013 -6.228 1.00 0.00 C ATOM 314 CG GLU A 96 -5.657 7.749 -6.328 1.00 0.00 C ATOM 315 CD GLU A 96 -6.869 7.926 -7.201 1.00 0.00 C ATOM 316 OE1 GLU A 96 -6.754 7.733 -8.429 1.00 0.00 O ATOM 317 OE2 GLU A 96 -7.944 8.256 -6.673 1.00 0.00 O ATOM 0 H GLU A 96 -2.782 6.891 -5.519 1.00 0.00 H new ATOM 0 HA GLU A 96 -2.973 9.768 -5.453 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.420 9.797 -5.763 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -4.573 9.355 -7.233 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.042 6.942 -6.726 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -5.973 7.447 -5.330 1.00 0.00 H new ATOM 324 N GLU A 97 -4.521 9.373 -3.290 1.00 0.00 N ATOM 325 CA GLU A 97 -4.907 9.114 -1.918 1.00 0.00 C ATOM 326 C GLU A 97 -6.150 8.237 -1.878 1.00 0.00 C ATOM 327 O GLU A 97 -7.057 8.382 -2.708 1.00 0.00 O ATOM 328 CB GLU A 97 -5.150 10.416 -1.149 1.00 0.00 C ATOM 329 CG GLU A 97 -3.914 11.288 -1.002 1.00 0.00 C ATOM 330 CD GLU A 97 -4.126 12.437 -0.038 1.00 0.00 C ATOM 331 OE1 GLU A 97 -3.891 12.252 1.174 1.00 0.00 O ATOM 332 OE2 GLU A 97 -4.531 13.532 -0.480 1.00 0.00 O ATOM 0 H GLU A 97 -4.808 10.284 -3.648 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.085 8.589 -1.432 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -5.926 10.987 -1.658 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -5.531 10.174 -0.157 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -3.081 10.676 -0.656 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -3.634 11.684 -1.978 1.00 0.00 H new ATOM 339 N GLY A 98 -6.193 7.344 -0.919 1.00 0.00 N ATOM 340 CA GLY A 98 -7.308 6.437 -0.807 1.00 0.00 C ATOM 341 C GLY A 98 -6.869 5.003 -0.653 1.00 0.00 C ATOM 342 O GLY A 98 -5.693 4.691 -0.831 1.00 0.00 O ATOM 0 H GLY A 98 -5.472 7.226 -0.208 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -7.919 6.721 0.050 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -7.938 6.528 -1.692 1.00 0.00 H new ATOM 346 N PRO A 99 -7.790 4.110 -0.293 1.00 0.00 N ATOM 347 CA PRO A 99 -7.497 2.701 -0.124 1.00 0.00 C ATOM 348 C PRO A 99 -7.677 1.894 -1.416 1.00 0.00 C ATOM 349 O PRO A 99 -8.683 2.026 -2.117 1.00 0.00 O ATOM 350 CB PRO A 99 -8.525 2.276 0.916 1.00 0.00 C ATOM 351 CG PRO A 99 -9.713 3.149 0.658 1.00 0.00 C ATOM 352 CD PRO A 99 -9.197 4.415 0.008 1.00 0.00 C ATOM 0 HA PRO A 99 -6.460 2.527 0.164 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -8.779 1.221 0.813 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -8.145 2.415 1.928 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -10.428 2.645 0.008 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -10.234 3.377 1.588 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -9.756 4.656 -0.896 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -9.286 5.272 0.676 1.00 0.00 H new ATOM 360 N ILE A 100 -6.697 1.064 -1.713 1.00 0.00 N ATOM 361 CA ILE A 100 -6.730 0.191 -2.880 1.00 0.00 C ATOM 362 C ILE A 100 -6.203 -1.188 -2.498 1.00 0.00 C ATOM 363 O ILE A 100 -5.484 -1.310 -1.518 1.00 0.00 O ATOM 364 CB ILE A 100 -5.928 0.777 -4.092 1.00 0.00 C ATOM 365 CG1 ILE A 100 -4.675 1.557 -3.631 1.00 0.00 C ATOM 366 CG2 ILE A 100 -6.825 1.657 -4.962 1.00 0.00 C ATOM 367 CD1 ILE A 100 -3.556 0.691 -3.086 1.00 0.00 C ATOM 0 H ILE A 100 -5.850 0.972 -1.152 1.00 0.00 H new ATOM 0 HA ILE A 100 -7.767 0.110 -3.207 1.00 0.00 H new ATOM 0 HB ILE A 100 -5.584 -0.066 -4.691 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -4.293 2.134 -4.473 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -4.971 2.272 -2.863 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.247 2.053 -5.797 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -7.656 1.064 -5.345 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.213 2.483 -4.366 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.719 1.323 -2.788 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -3.916 0.133 -2.221 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -3.227 -0.006 -3.857 1.00 0.00 H new ATOM 379 N PRO A 101 -6.560 -2.247 -3.246 1.00 0.00 N ATOM 380 CA PRO A 101 -6.132 -3.614 -2.923 1.00 0.00 C ATOM 381 C PRO A 101 -4.644 -3.813 -3.130 1.00 0.00 C ATOM 382 O PRO A 101 -3.955 -2.955 -3.688 1.00 0.00 O ATOM 383 CB PRO A 101 -6.911 -4.469 -3.923 1.00 0.00 C ATOM 384 CG PRO A 101 -7.141 -3.558 -5.067 1.00 0.00 C ATOM 385 CD PRO A 101 -7.383 -2.210 -4.461 1.00 0.00 C ATOM 0 HA PRO A 101 -6.319 -3.863 -1.878 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -6.344 -5.351 -4.222 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -7.851 -4.823 -3.499 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -6.279 -3.540 -5.734 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -7.996 -3.881 -5.660 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -7.080 -1.405 -5.131 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -8.437 -2.053 -4.231 1.00 0.00 H new ATOM 393 N HIS A 102 -4.149 -4.943 -2.697 1.00 0.00 N ATOM 394 CA HIS A 102 -2.763 -5.260 -2.853 1.00 0.00 C ATOM 395 C HIS A 102 -2.579 -5.988 -4.177 1.00 0.00 C ATOM 396 O HIS A 102 -3.231 -6.997 -4.419 1.00 0.00 O ATOM 397 CB HIS A 102 -2.282 -6.122 -1.684 1.00 0.00 C ATOM 398 CG HIS A 102 -0.812 -6.319 -1.659 1.00 0.00 C ATOM 399 ND1 HIS A 102 -0.192 -7.463 -2.112 1.00 0.00 N ATOM 400 CD2 HIS A 102 0.174 -5.494 -1.255 1.00 0.00 C ATOM 401 CE1 HIS A 102 1.109 -7.326 -1.993 1.00 0.00 C ATOM 402 NE2 HIS A 102 1.356 -6.141 -1.478 1.00 0.00 N ATOM 0 H HIS A 102 -4.697 -5.664 -2.228 1.00 0.00 H new ATOM 0 HA HIS A 102 -2.168 -4.346 -2.857 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -2.594 -5.658 -0.748 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -2.770 -7.095 -1.736 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -0.668 -8.286 -2.481 1.00 0.00 H new ATOM 0 HD2 HIS A 102 0.052 -4.507 -0.834 1.00 0.00 H new ATOM 0 HE1 HIS A 102 1.850 -8.061 -2.271 1.00 0.00 H new ATOM 411 N PRO A 103 -1.664 -5.504 -5.035 1.00 0.00 N ATOM 412 CA PRO A 103 -1.480 -6.038 -6.397 1.00 0.00 C ATOM 413 C PRO A 103 -1.231 -7.543 -6.422 1.00 0.00 C ATOM 414 O PRO A 103 -1.812 -8.263 -7.225 1.00 0.00 O ATOM 415 CB PRO A 103 -0.249 -5.274 -6.918 1.00 0.00 C ATOM 416 CG PRO A 103 0.410 -4.747 -5.694 1.00 0.00 C ATOM 417 CD PRO A 103 -0.712 -4.422 -4.757 1.00 0.00 C ATOM 0 HA PRO A 103 -2.375 -5.901 -7.004 1.00 0.00 H new ATOM 0 HB2 PRO A 103 0.418 -5.931 -7.476 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -0.539 -4.467 -7.591 1.00 0.00 H new ATOM 0 HG2 PRO A 103 1.085 -5.485 -5.260 1.00 0.00 H new ATOM 0 HG3 PRO A 103 1.006 -3.862 -5.917 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -0.387 -4.421 -3.716 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -1.140 -3.440 -4.958 1.00 0.00 H new ATOM 425 N GLY A 104 -0.389 -8.013 -5.525 1.00 0.00 N ATOM 426 CA GLY A 104 -0.071 -9.419 -5.500 1.00 0.00 C ATOM 427 C GLY A 104 -0.885 -10.207 -4.498 1.00 0.00 C ATOM 428 O GLY A 104 -0.642 -11.397 -4.310 1.00 0.00 O ATOM 0 H GLY A 104 0.079 -7.450 -4.815 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -0.231 -9.837 -6.494 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.988 -9.539 -5.270 1.00 0.00 H new ATOM 432 N ASN A 105 -1.844 -9.561 -3.834 1.00 0.00 N ATOM 433 CA ASN A 105 -2.654 -10.253 -2.853 1.00 0.00 C ATOM 434 C ASN A 105 -3.910 -9.460 -2.519 1.00 0.00 C ATOM 435 O ASN A 105 -3.905 -8.644 -1.604 1.00 0.00 O ATOM 436 CB ASN A 105 -1.827 -10.501 -1.597 1.00 0.00 C ATOM 437 CG ASN A 105 -2.554 -11.296 -0.547 1.00 0.00 C ATOM 438 OD1 ASN A 105 -3.453 -12.084 -0.845 1.00 0.00 O ATOM 439 ND2 ASN A 105 -2.158 -11.106 0.684 1.00 0.00 N ATOM 0 H ASN A 105 -2.071 -8.575 -3.960 1.00 0.00 H new ATOM 0 HA ASN A 105 -2.971 -11.208 -3.271 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -0.913 -11.027 -1.872 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -1.528 -9.542 -1.173 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -2.598 -11.621 1.447 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -1.409 -10.442 0.882 1.00 0.00 H new ATOM 446 N VAL A 106 -4.966 -9.670 -3.302 1.00 0.00 N ATOM 447 CA VAL A 106 -6.266 -9.005 -3.080 1.00 0.00 C ATOM 448 C VAL A 106 -6.839 -9.212 -1.662 1.00 0.00 C ATOM 449 O VAL A 106 -7.792 -8.539 -1.276 1.00 0.00 O ATOM 450 CB VAL A 106 -7.321 -9.431 -4.129 1.00 0.00 C ATOM 451 CG1 VAL A 106 -6.940 -8.922 -5.510 1.00 0.00 C ATOM 452 CG2 VAL A 106 -7.488 -10.945 -4.147 1.00 0.00 C ATOM 0 H VAL A 106 -4.955 -10.299 -4.105 1.00 0.00 H new ATOM 0 HA VAL A 106 -6.052 -7.942 -3.192 1.00 0.00 H new ATOM 0 HB VAL A 106 -8.275 -8.986 -3.848 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -7.694 -9.232 -6.233 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -6.880 -7.834 -5.493 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -5.972 -9.335 -5.796 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -8.235 -11.220 -4.892 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -6.536 -11.413 -4.397 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -7.813 -11.287 -3.164 1.00 0.00 H new ATOM 462 N HIS A 107 -6.261 -10.135 -0.890 1.00 0.00 N ATOM 463 CA HIS A 107 -6.702 -10.354 0.492 1.00 0.00 C ATOM 464 C HIS A 107 -6.150 -9.243 1.410 1.00 0.00 C ATOM 465 O HIS A 107 -6.407 -9.219 2.617 1.00 0.00 O ATOM 466 CB HIS A 107 -6.272 -11.748 0.994 1.00 0.00 C ATOM 467 CG HIS A 107 -6.747 -12.066 2.386 1.00 0.00 C ATOM 468 ND1 HIS A 107 -5.902 -12.444 3.402 1.00 0.00 N ATOM 469 CD2 HIS A 107 -7.987 -12.034 2.928 1.00 0.00 C ATOM 470 CE1 HIS A 107 -6.595 -12.630 4.506 1.00 0.00 C ATOM 471 NE2 HIS A 107 -7.866 -12.385 4.249 1.00 0.00 N ATOM 0 H HIS A 107 -5.495 -10.737 -1.192 1.00 0.00 H new ATOM 0 HA HIS A 107 -7.791 -10.314 0.517 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -6.654 -12.504 0.308 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -5.184 -11.814 0.968 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -4.893 -12.562 3.314 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -8.903 -11.779 2.415 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -6.191 -12.932 5.461 1.00 0.00 H new ATOM 480 N LYS A 108 -5.417 -8.325 0.819 1.00 0.00 N ATOM 481 CA LYS A 108 -4.853 -7.200 1.536 1.00 0.00 C ATOM 482 C LYS A 108 -5.095 -5.929 0.755 1.00 0.00 C ATOM 483 O LYS A 108 -5.290 -5.972 -0.458 1.00 0.00 O ATOM 484 CB LYS A 108 -3.345 -7.363 1.759 1.00 0.00 C ATOM 485 CG LYS A 108 -2.949 -8.356 2.831 1.00 0.00 C ATOM 486 CD LYS A 108 -1.582 -7.997 3.390 1.00 0.00 C ATOM 487 CE LYS A 108 -1.104 -8.997 4.418 1.00 0.00 C ATOM 488 NZ LYS A 108 -0.701 -10.283 3.802 1.00 0.00 N ATOM 0 H LYS A 108 -5.194 -8.337 -0.176 1.00 0.00 H new ATOM 0 HA LYS A 108 -5.341 -7.153 2.510 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -2.887 -7.668 0.818 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -2.926 -6.390 2.017 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -3.690 -8.356 3.631 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -2.928 -9.364 2.416 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -0.861 -7.944 2.575 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -1.625 -7.006 3.842 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -0.260 -8.578 4.965 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.897 -9.176 5.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -1.298 -11.049 4.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -0.816 -10.225 2.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 0.295 -10.479 4.028 1.00 0.00 H new ATOM 502 N TYR A 109 -5.093 -4.808 1.443 1.00 0.00 N ATOM 503 CA TYR A 109 -5.239 -3.530 0.790 1.00 0.00 C ATOM 504 C TYR A 109 -4.350 -2.500 1.456 1.00 0.00 C ATOM 505 O TYR A 109 -3.892 -2.699 2.574 1.00 0.00 O ATOM 506 CB TYR A 109 -6.703 -3.075 0.762 1.00 0.00 C ATOM 507 CG TYR A 109 -7.223 -2.434 2.030 1.00 0.00 C ATOM 508 CD1 TYR A 109 -7.505 -3.186 3.160 1.00 0.00 C ATOM 509 CD2 TYR A 109 -7.461 -1.068 2.075 1.00 0.00 C ATOM 510 CE1 TYR A 109 -8.007 -2.593 4.302 1.00 0.00 C ATOM 511 CE2 TYR A 109 -7.957 -0.465 3.207 1.00 0.00 C ATOM 512 CZ TYR A 109 -8.231 -1.231 4.322 1.00 0.00 C ATOM 513 OH TYR A 109 -8.733 -0.632 5.459 1.00 0.00 O ATOM 0 H TYR A 109 -4.991 -4.758 2.457 1.00 0.00 H new ATOM 0 HA TYR A 109 -4.922 -3.638 -0.247 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -6.827 -2.366 -0.057 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -7.327 -3.939 0.533 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -7.330 -4.252 3.147 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -7.252 -0.466 1.203 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -8.223 -3.192 5.175 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -8.131 0.601 3.223 1.00 0.00 H new ATOM 0 HH TYR A 109 -8.830 0.331 5.306 1.00 0.00 H new ATOM 523 N ILE A 110 -4.105 -1.411 0.779 1.00 0.00 N ATOM 524 CA ILE A 110 -3.245 -0.384 1.302 1.00 0.00 C ATOM 525 C ILE A 110 -3.981 0.938 1.339 1.00 0.00 C ATOM 526 O ILE A 110 -4.751 1.257 0.432 1.00 0.00 O ATOM 527 CB ILE A 110 -1.945 -0.210 0.453 1.00 0.00 C ATOM 528 CG1 ILE A 110 -1.304 -1.566 0.112 1.00 0.00 C ATOM 529 CG2 ILE A 110 -0.945 0.670 1.187 1.00 0.00 C ATOM 530 CD1 ILE A 110 -1.827 -2.189 -1.171 1.00 0.00 C ATOM 0 H ILE A 110 -4.492 -1.211 -0.143 1.00 0.00 H new ATOM 0 HA ILE A 110 -2.958 -0.692 2.307 1.00 0.00 H new ATOM 0 HB ILE A 110 -2.227 0.272 -0.483 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -0.225 -1.436 0.028 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.478 -2.257 0.937 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -0.045 0.781 0.582 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -1.386 1.651 1.365 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -0.686 0.210 2.141 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.327 -3.142 -1.343 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -2.901 -2.353 -1.084 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -1.629 -1.519 -2.008 1.00 0.00 H new ATOM 542 N ILE A 111 -3.770 1.690 2.396 1.00 0.00 N ATOM 543 CA ILE A 111 -4.351 3.006 2.510 1.00 0.00 C ATOM 544 C ILE A 111 -3.300 4.016 2.130 1.00 0.00 C ATOM 545 O ILE A 111 -2.240 4.083 2.763 1.00 0.00 O ATOM 546 CB ILE A 111 -4.873 3.327 3.944 1.00 0.00 C ATOM 547 CG1 ILE A 111 -5.918 2.303 4.404 1.00 0.00 C ATOM 548 CG2 ILE A 111 -5.465 4.730 3.992 1.00 0.00 C ATOM 549 CD1 ILE A 111 -5.329 1.018 4.939 1.00 0.00 C ATOM 0 H ILE A 111 -3.197 1.410 3.192 1.00 0.00 H new ATOM 0 HA ILE A 111 -5.215 3.046 1.846 1.00 0.00 H new ATOM 0 HB ILE A 111 -4.023 3.272 4.624 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -6.538 2.755 5.178 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -6.574 2.068 3.566 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -5.825 4.939 4.999 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -4.699 5.457 3.722 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -6.295 4.799 3.289 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -6.133 0.348 5.243 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -4.732 0.540 4.162 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -4.696 1.238 5.799 1.00 0.00 H new ATOM 561 N CYS A 112 -3.563 4.775 1.101 1.00 0.00 N ATOM 562 CA CYS A 112 -2.608 5.745 0.627 1.00 0.00 C ATOM 563 C CYS A 112 -2.969 7.132 1.119 1.00 0.00 C ATOM 564 O CYS A 112 -4.076 7.616 0.881 1.00 0.00 O ATOM 565 CB CYS A 112 -2.553 5.721 -0.900 1.00 0.00 C ATOM 566 SG CYS A 112 -2.129 4.092 -1.604 1.00 0.00 S ATOM 0 H CYS A 112 -4.434 4.742 0.571 1.00 0.00 H new ATOM 0 HA CYS A 112 -1.625 5.487 1.020 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -3.520 6.034 -1.293 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -1.820 6.453 -1.238 1.00 0.00 H new ATOM 571 N SER A 113 -2.044 7.762 1.810 1.00 0.00 N ATOM 572 CA SER A 113 -2.251 9.093 2.325 1.00 0.00 C ATOM 573 C SER A 113 -1.062 9.973 1.962 1.00 0.00 C ATOM 574 O SER A 113 0.088 9.530 2.014 1.00 0.00 O ATOM 575 CB SER A 113 -2.449 9.046 3.847 1.00 0.00 C ATOM 576 OG SER A 113 -2.730 10.333 4.374 1.00 0.00 O ATOM 0 H SER A 113 -1.130 7.365 2.029 1.00 0.00 H new ATOM 0 HA SER A 113 -3.150 9.518 1.878 1.00 0.00 H new ATOM 0 HB2 SER A 113 -3.266 8.366 4.088 1.00 0.00 H new ATOM 0 HB3 SER A 113 -1.552 8.646 4.320 1.00 0.00 H new ATOM 0 HG SER A 113 -2.853 10.270 5.344 1.00 0.00 H new ATOM 582 N LYS A 114 -1.333 11.206 1.591 1.00 0.00 N ATOM 583 CA LYS A 114 -0.285 12.123 1.197 1.00 0.00 C ATOM 584 C LYS A 114 -0.177 13.266 2.189 1.00 0.00 C ATOM 585 O LYS A 114 -1.095 14.079 2.324 1.00 0.00 O ATOM 586 CB LYS A 114 -0.554 12.660 -0.211 1.00 0.00 C ATOM 587 CG LYS A 114 0.538 13.566 -0.753 1.00 0.00 C ATOM 588 CD LYS A 114 0.218 14.020 -2.168 1.00 0.00 C ATOM 589 CE LYS A 114 1.332 14.872 -2.744 1.00 0.00 C ATOM 590 NZ LYS A 114 1.064 15.263 -4.152 1.00 0.00 N ATOM 0 H LYS A 114 -2.274 11.598 1.554 1.00 0.00 H new ATOM 0 HA LYS A 114 0.663 11.585 1.190 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -0.681 11.817 -0.891 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -1.496 13.209 -0.204 1.00 0.00 H new ATOM 0 HG2 LYS A 114 0.649 14.435 -0.105 1.00 0.00 H new ATOM 0 HG3 LYS A 114 1.491 13.038 -0.744 1.00 0.00 H new ATOM 0 HD2 LYS A 114 0.059 13.149 -2.804 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -0.712 14.588 -2.167 1.00 0.00 H new ATOM 0 HE2 LYS A 114 1.454 15.768 -2.136 1.00 0.00 H new ATOM 0 HE3 LYS A 114 2.272 14.322 -2.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 1.850 15.844 -4.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 0.973 14.409 -4.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 0.181 15.810 -4.198 1.00 0.00 H new ATOM 604 N SER A 115 0.935 13.318 2.892 1.00 0.00 N ATOM 605 CA SER A 115 1.184 14.361 3.855 1.00 0.00 C ATOM 606 C SER A 115 2.104 15.415 3.254 1.00 0.00 C ATOM 607 O SER A 115 3.323 15.389 3.447 1.00 0.00 O ATOM 608 CB SER A 115 1.792 13.773 5.127 1.00 0.00 C ATOM 609 OG SER A 115 0.874 12.900 5.777 1.00 0.00 O ATOM 0 H SER A 115 1.690 12.637 2.809 1.00 0.00 H new ATOM 0 HA SER A 115 0.238 14.836 4.117 1.00 0.00 H new ATOM 0 HB2 SER A 115 2.704 13.229 4.880 1.00 0.00 H new ATOM 0 HB3 SER A 115 2.075 14.578 5.805 1.00 0.00 H new ATOM 0 HG SER A 115 1.321 12.054 5.989 1.00 0.00 H new ATOM 615 N GLY A 116 1.514 16.293 2.472 1.00 0.00 N ATOM 616 CA GLY A 116 2.270 17.345 1.838 1.00 0.00 C ATOM 617 C GLY A 116 3.065 16.821 0.663 1.00 0.00 C ATOM 618 O GLY A 116 2.521 16.620 -0.420 1.00 0.00 O ATOM 0 H GLY A 116 0.516 16.297 2.262 1.00 0.00 H new ATOM 0 HA2 GLY A 116 1.593 18.129 1.500 1.00 0.00 H new ATOM 0 HA3 GLY A 116 2.946 17.798 2.564 1.00 0.00 H new ATOM 622 N SER A 117 4.345 16.577 0.876 1.00 0.00 N ATOM 623 CA SER A 117 5.211 16.083 -0.180 1.00 0.00 C ATOM 624 C SER A 117 5.660 14.657 0.118 1.00 0.00 C ATOM 625 O SER A 117 6.452 14.078 -0.625 1.00 0.00 O ATOM 626 CB SER A 117 6.426 16.996 -0.331 1.00 0.00 C ATOM 627 OG SER A 117 6.027 18.341 -0.572 1.00 0.00 O ATOM 0 H SER A 117 4.810 16.713 1.774 1.00 0.00 H new ATOM 0 HA SER A 117 4.651 16.080 -1.115 1.00 0.00 H new ATOM 0 HB2 SER A 117 7.034 16.950 0.572 1.00 0.00 H new ATOM 0 HB3 SER A 117 7.049 16.645 -1.153 1.00 0.00 H new ATOM 0 HG SER A 117 6.822 18.907 -0.663 1.00 0.00 H new ATOM 633 N LEU A 118 5.135 14.091 1.190 1.00 0.00 N ATOM 634 CA LEU A 118 5.521 12.773 1.620 1.00 0.00 C ATOM 635 C LEU A 118 4.319 11.847 1.703 1.00 0.00 C ATOM 636 O LEU A 118 3.280 12.214 2.244 1.00 0.00 O ATOM 637 CB LEU A 118 6.202 12.866 2.974 1.00 0.00 C ATOM 638 CG LEU A 118 7.722 13.063 2.953 1.00 0.00 C ATOM 639 CD1 LEU A 118 8.262 13.186 4.364 1.00 0.00 C ATOM 640 CD2 LEU A 118 8.408 11.914 2.221 1.00 0.00 C ATOM 0 H LEU A 118 4.432 14.536 1.780 1.00 0.00 H new ATOM 0 HA LEU A 118 6.212 12.357 0.887 1.00 0.00 H new ATOM 0 HB2 LEU A 118 5.757 13.694 3.526 1.00 0.00 H new ATOM 0 HB3 LEU A 118 5.982 11.956 3.532 1.00 0.00 H new ATOM 0 HG LEU A 118 7.936 13.987 2.417 1.00 0.00 H new ATOM 0 HD11 LEU A 118 9.343 13.325 4.329 1.00 0.00 H new ATOM 0 HD12 LEU A 118 7.801 14.042 4.856 1.00 0.00 H new ATOM 0 HD13 LEU A 118 8.031 12.279 4.922 1.00 0.00 H new ATOM 0 HD21 LEU A 118 9.486 12.076 2.219 1.00 0.00 H new ATOM 0 HD22 LEU A 118 8.183 10.975 2.726 1.00 0.00 H new ATOM 0 HD23 LEU A 118 8.046 11.869 1.194 1.00 0.00 H new ATOM 652 N TRP A 119 4.458 10.655 1.159 1.00 0.00 N ATOM 653 CA TRP A 119 3.383 9.680 1.184 1.00 0.00 C ATOM 654 C TRP A 119 3.540 8.709 2.341 1.00 0.00 C ATOM 655 O TRP A 119 4.626 8.187 2.589 1.00 0.00 O ATOM 656 CB TRP A 119 3.329 8.901 -0.133 1.00 0.00 C ATOM 657 CG TRP A 119 2.890 9.720 -1.303 1.00 0.00 C ATOM 658 CD1 TRP A 119 3.646 10.600 -2.017 1.00 0.00 C ATOM 659 CD2 TRP A 119 1.590 9.728 -1.902 1.00 0.00 C ATOM 660 NE1 TRP A 119 2.898 11.160 -3.018 1.00 0.00 N ATOM 661 CE2 TRP A 119 1.632 10.639 -2.972 1.00 0.00 C ATOM 662 CE3 TRP A 119 0.395 9.053 -1.636 1.00 0.00 C ATOM 663 CZ2 TRP A 119 0.524 10.894 -3.778 1.00 0.00 C ATOM 664 CZ3 TRP A 119 -0.703 9.305 -2.435 1.00 0.00 C ATOM 665 CH2 TRP A 119 -0.630 10.219 -3.495 1.00 0.00 C ATOM 0 H TRP A 119 5.307 10.336 0.692 1.00 0.00 H new ATOM 0 HA TRP A 119 2.451 10.229 1.317 1.00 0.00 H new ATOM 0 HB2 TRP A 119 4.316 8.489 -0.341 1.00 0.00 H new ATOM 0 HB3 TRP A 119 2.649 8.057 -0.017 1.00 0.00 H new ATOM 0 HD1 TRP A 119 4.684 10.824 -1.822 1.00 0.00 H new ATOM 0 HE1 TRP A 119 3.230 11.853 -3.689 1.00 0.00 H new ATOM 0 HE3 TRP A 119 0.332 8.347 -0.821 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 0.575 11.598 -4.595 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -1.632 8.790 -2.240 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -1.506 10.394 -4.102 1.00 0.00 H new ATOM 676 N TYR A 120 2.458 8.483 3.047 1.00 0.00 N ATOM 677 CA TYR A 120 2.432 7.523 4.125 1.00 0.00 C ATOM 678 C TYR A 120 1.384 6.478 3.839 1.00 0.00 C ATOM 679 O TYR A 120 0.206 6.796 3.645 1.00 0.00 O ATOM 680 CB TYR A 120 2.166 8.200 5.459 1.00 0.00 C ATOM 681 CG TYR A 120 3.283 9.116 5.899 1.00 0.00 C ATOM 682 CD1 TYR A 120 4.355 8.628 6.629 1.00 0.00 C ATOM 683 CD2 TYR A 120 3.267 10.465 5.579 1.00 0.00 C ATOM 684 CE1 TYR A 120 5.382 9.462 7.032 1.00 0.00 C ATOM 685 CE2 TYR A 120 4.287 11.303 5.976 1.00 0.00 C ATOM 686 CZ TYR A 120 5.340 10.800 6.700 1.00 0.00 C ATOM 687 OH TYR A 120 6.355 11.639 7.100 1.00 0.00 O ATOM 0 H TYR A 120 1.570 8.960 2.890 1.00 0.00 H new ATOM 0 HA TYR A 120 3.409 7.045 4.192 1.00 0.00 H new ATOM 0 HB2 TYR A 120 1.242 8.774 5.389 1.00 0.00 H new ATOM 0 HB3 TYR A 120 2.011 7.436 6.221 1.00 0.00 H new ATOM 0 HD1 TYR A 120 4.389 7.580 6.887 1.00 0.00 H new ATOM 0 HD2 TYR A 120 2.442 10.866 5.009 1.00 0.00 H new ATOM 0 HE1 TYR A 120 6.210 9.069 7.602 1.00 0.00 H new ATOM 0 HE2 TYR A 120 4.258 12.351 5.719 1.00 0.00 H new ATOM 0 HH TYR A 120 6.172 12.548 6.783 1.00 0.00 H new ATOM 697 N ILE A 121 1.802 5.241 3.802 1.00 0.00 N ATOM 698 CA ILE A 121 0.911 4.163 3.439 1.00 0.00 C ATOM 699 C ILE A 121 0.826 3.109 4.528 1.00 0.00 C ATOM 700 O ILE A 121 1.731 2.971 5.355 1.00 0.00 O ATOM 701 CB ILE A 121 1.333 3.512 2.083 1.00 0.00 C ATOM 702 CG1 ILE A 121 2.696 2.807 2.185 1.00 0.00 C ATOM 703 CG2 ILE A 121 1.377 4.563 0.987 1.00 0.00 C ATOM 704 CD1 ILE A 121 2.608 1.349 2.588 1.00 0.00 C ATOM 0 H ILE A 121 2.756 4.951 4.019 1.00 0.00 H new ATOM 0 HA ILE A 121 -0.081 4.599 3.319 1.00 0.00 H new ATOM 0 HB ILE A 121 0.585 2.758 1.836 1.00 0.00 H new ATOM 0 HG12 ILE A 121 3.203 2.877 1.222 1.00 0.00 H new ATOM 0 HG13 ILE A 121 3.314 3.337 2.910 1.00 0.00 H new ATOM 0 HG21 ILE A 121 1.672 4.096 0.047 1.00 0.00 H new ATOM 0 HG22 ILE A 121 0.391 5.013 0.875 1.00 0.00 H new ATOM 0 HG23 ILE A 121 2.100 5.335 1.252 1.00 0.00 H new ATOM 0 HD11 ILE A 121 3.611 0.924 2.637 1.00 0.00 H new ATOM 0 HD12 ILE A 121 2.132 1.270 3.565 1.00 0.00 H new ATOM 0 HD13 ILE A 121 2.018 0.803 1.852 1.00 0.00 H new ATOM 716 N THR A 122 -0.264 2.381 4.530 1.00 0.00 N ATOM 717 CA THR A 122 -0.467 1.317 5.488 1.00 0.00 C ATOM 718 C THR A 122 -1.142 0.130 4.811 1.00 0.00 C ATOM 719 O THR A 122 -2.218 0.274 4.233 1.00 0.00 O ATOM 720 CB THR A 122 -1.343 1.793 6.662 1.00 0.00 C ATOM 721 OG1 THR A 122 -0.827 3.029 7.190 1.00 0.00 O ATOM 722 CG2 THR A 122 -1.370 0.749 7.761 1.00 0.00 C ATOM 0 H THR A 122 -1.033 2.507 3.872 1.00 0.00 H new ATOM 0 HA THR A 122 0.508 1.019 5.874 1.00 0.00 H new ATOM 0 HB THR A 122 -2.357 1.948 6.295 1.00 0.00 H new ATOM 0 HG1 THR A 122 -1.390 3.327 7.935 1.00 0.00 H new ATOM 0 HG21 THR A 122 -1.993 1.102 8.583 1.00 0.00 H new ATOM 0 HG22 THR A 122 -1.779 -0.182 7.369 1.00 0.00 H new ATOM 0 HG23 THR A 122 -0.357 0.576 8.123 1.00 0.00 H new ATOM 730 N VAL A 123 -0.515 -1.038 4.875 1.00 0.00 N ATOM 731 CA VAL A 123 -1.078 -2.224 4.255 1.00 0.00 C ATOM 732 C VAL A 123 -1.863 -3.053 5.277 1.00 0.00 C ATOM 733 O VAL A 123 -1.294 -3.711 6.148 1.00 0.00 O ATOM 734 CB VAL A 123 0.009 -3.093 3.540 1.00 0.00 C ATOM 735 CG1 VAL A 123 1.154 -3.452 4.480 1.00 0.00 C ATOM 736 CG2 VAL A 123 -0.610 -4.350 2.936 1.00 0.00 C ATOM 0 H VAL A 123 0.377 -1.186 5.347 1.00 0.00 H new ATOM 0 HA VAL A 123 -1.769 -1.885 3.483 1.00 0.00 H new ATOM 0 HB VAL A 123 0.426 -2.492 2.732 1.00 0.00 H new ATOM 0 HG11 VAL A 123 1.888 -4.056 3.946 1.00 0.00 H new ATOM 0 HG12 VAL A 123 1.628 -2.539 4.841 1.00 0.00 H new ATOM 0 HG13 VAL A 123 0.766 -4.018 5.327 1.00 0.00 H new ATOM 0 HG21 VAL A 123 0.166 -4.937 2.445 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -1.070 -4.944 3.725 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -1.368 -4.067 2.206 1.00 0.00 H new ATOM 746 N MET A 124 -3.171 -2.984 5.177 1.00 0.00 N ATOM 747 CA MET A 124 -4.050 -3.693 6.087 1.00 0.00 C ATOM 748 C MET A 124 -4.677 -4.888 5.385 1.00 0.00 C ATOM 749 O MET A 124 -5.045 -4.803 4.217 1.00 0.00 O ATOM 750 CB MET A 124 -5.151 -2.757 6.606 1.00 0.00 C ATOM 751 CG MET A 124 -4.648 -1.460 7.242 1.00 0.00 C ATOM 752 SD MET A 124 -4.177 -1.613 8.987 1.00 0.00 S ATOM 753 CE MET A 124 -2.679 -2.595 8.895 1.00 0.00 C ATOM 0 H MET A 124 -3.657 -2.438 4.466 1.00 0.00 H new ATOM 0 HA MET A 124 -3.460 -4.046 6.933 1.00 0.00 H new ATOM 0 HB2 MET A 124 -5.813 -2.505 5.778 1.00 0.00 H new ATOM 0 HB3 MET A 124 -5.749 -3.296 7.340 1.00 0.00 H new ATOM 0 HG2 MET A 124 -3.788 -1.102 6.676 1.00 0.00 H new ATOM 0 HG3 MET A 124 -5.425 -0.701 7.154 1.00 0.00 H new ATOM 0 HE1 MET A 124 -2.038 -2.361 9.744 1.00 0.00 H new ATOM 0 HE2 MET A 124 -2.936 -3.654 8.916 1.00 0.00 H new ATOM 0 HE3 MET A 124 -2.152 -2.368 7.969 1.00 0.00 H new ATOM 763 N PRO A 125 -4.789 -6.021 6.073 1.00 0.00 N ATOM 764 CA PRO A 125 -5.397 -7.209 5.510 1.00 0.00 C ATOM 765 C PRO A 125 -6.918 -7.210 5.661 1.00 0.00 C ATOM 766 O PRO A 125 -7.455 -6.713 6.658 1.00 0.00 O ATOM 767 CB PRO A 125 -4.775 -8.337 6.329 1.00 0.00 C ATOM 768 CG PRO A 125 -4.484 -7.731 7.668 1.00 0.00 C ATOM 769 CD PRO A 125 -4.311 -6.243 7.453 1.00 0.00 C ATOM 0 HA PRO A 125 -5.221 -7.293 4.438 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -5.458 -9.182 6.418 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -3.865 -8.710 5.859 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -5.298 -7.928 8.365 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -3.583 -8.165 8.100 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -4.891 -5.666 8.173 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -3.270 -5.942 7.568 1.00 0.00 H new ATOM 777 N CYS A 126 -7.603 -7.749 4.669 1.00 0.00 N ATOM 778 CA CYS A 126 -9.058 -7.868 4.726 1.00 0.00 C ATOM 779 C CYS A 126 -9.443 -9.074 5.555 1.00 0.00 C ATOM 780 O CYS A 126 -8.605 -9.951 5.821 1.00 0.00 O ATOM 781 CB CYS A 126 -9.668 -8.023 3.324 1.00 0.00 C ATOM 782 SG CYS A 126 -9.666 -6.516 2.297 1.00 0.00 S ATOM 0 H CYS A 126 -7.181 -8.112 3.814 1.00 0.00 H new ATOM 0 HA CYS A 126 -9.444 -6.954 5.178 1.00 0.00 H new ATOM 0 HB2 CYS A 126 -9.123 -8.804 2.794 1.00 0.00 H new ATOM 0 HB3 CYS A 126 -10.696 -8.368 3.430 1.00 0.00 H new ATOM 787 N SER A 127 -10.699 -9.123 5.959 1.00 0.00 N ATOM 788 CA SER A 127 -11.213 -10.247 6.703 1.00 0.00 C ATOM 789 C SER A 127 -10.988 -11.531 5.913 1.00 0.00 C ATOM 790 O SER A 127 -10.970 -11.521 4.673 1.00 0.00 O ATOM 791 CB SER A 127 -12.707 -10.052 6.992 1.00 0.00 C ATOM 792 OG SER A 127 -13.221 -11.094 7.808 1.00 0.00 O ATOM 0 H SER A 127 -11.383 -8.388 5.780 1.00 0.00 H new ATOM 0 HA SER A 127 -10.685 -10.319 7.654 1.00 0.00 H new ATOM 0 HB2 SER A 127 -12.861 -9.093 7.486 1.00 0.00 H new ATOM 0 HB3 SER A 127 -13.259 -10.019 6.053 1.00 0.00 H new ATOM 0 HG SER A 127 -14.174 -10.939 7.975 1.00 0.00 H new ATOM 798 N ILE A 128 -10.786 -12.612 6.611 1.00 0.00 N ATOM 799 CA ILE A 128 -10.547 -13.885 5.977 1.00 0.00 C ATOM 800 C ILE A 128 -11.769 -14.294 5.164 1.00 0.00 C ATOM 801 O ILE A 128 -12.896 -14.275 5.666 1.00 0.00 O ATOM 802 CB ILE A 128 -10.176 -14.989 7.013 1.00 0.00 C ATOM 803 CG1 ILE A 128 -8.786 -14.717 7.637 1.00 0.00 C ATOM 804 CG2 ILE A 128 -10.196 -16.371 6.365 1.00 0.00 C ATOM 805 CD1 ILE A 128 -8.680 -13.439 8.453 1.00 0.00 C ATOM 0 H ILE A 128 -10.781 -12.640 7.631 1.00 0.00 H new ATOM 0 HA ILE A 128 -9.693 -13.775 5.309 1.00 0.00 H new ATOM 0 HB ILE A 128 -10.924 -14.964 7.806 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -8.521 -15.560 8.276 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -8.047 -14.680 6.836 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -9.934 -17.125 7.107 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -11.193 -16.576 5.976 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -9.475 -16.400 5.548 1.00 0.00 H new ATOM 0 HD11 ILE A 128 -7.668 -13.341 8.846 1.00 0.00 H new ATOM 0 HD12 ILE A 128 -8.907 -12.582 7.819 1.00 0.00 H new ATOM 0 HD13 ILE A 128 -9.389 -13.476 9.280 1.00 0.00 H new ATOM 817 N GLY A 129 -11.539 -14.644 3.911 1.00 0.00 N ATOM 818 CA GLY A 129 -12.626 -14.989 3.027 1.00 0.00 C ATOM 819 C GLY A 129 -13.069 -13.822 2.163 1.00 0.00 C ATOM 820 O GLY A 129 -13.866 -13.995 1.250 1.00 0.00 O ATOM 0 H GLY A 129 -10.612 -14.695 3.489 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -12.319 -15.815 2.386 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -13.472 -15.341 3.618 1.00 0.00 H new ATOM 824 N THR A 130 -12.559 -12.628 2.444 1.00 0.00 N ATOM 825 CA THR A 130 -12.926 -11.457 1.665 1.00 0.00 C ATOM 826 C THR A 130 -11.704 -10.851 0.971 1.00 0.00 C ATOM 827 O THR A 130 -10.572 -10.997 1.444 1.00 0.00 O ATOM 828 CB THR A 130 -13.625 -10.375 2.526 1.00 0.00 C ATOM 829 OG1 THR A 130 -12.763 -9.939 3.583 1.00 0.00 O ATOM 830 CG2 THR A 130 -14.918 -10.905 3.118 1.00 0.00 C ATOM 0 H THR A 130 -11.897 -12.449 3.199 1.00 0.00 H new ATOM 0 HA THR A 130 -13.635 -11.798 0.911 1.00 0.00 H new ATOM 0 HB THR A 130 -13.854 -9.531 1.876 1.00 0.00 H new ATOM 0 HG1 THR A 130 -11.953 -10.490 3.593 1.00 0.00 H new ATOM 0 HG21 THR A 130 -15.389 -10.127 3.718 1.00 0.00 H new ATOM 0 HG22 THR A 130 -15.592 -11.201 2.314 1.00 0.00 H new ATOM 0 HG23 THR A 130 -14.703 -11.768 3.748 1.00 0.00 H new ATOM 838 N LYS A 131 -11.944 -10.169 -0.132 1.00 0.00 N ATOM 839 CA LYS A 131 -10.892 -9.544 -0.919 1.00 0.00 C ATOM 840 C LYS A 131 -11.258 -8.091 -1.200 1.00 0.00 C ATOM 841 O LYS A 131 -12.430 -7.771 -1.382 1.00 0.00 O ATOM 842 CB LYS A 131 -10.709 -10.308 -2.226 1.00 0.00 C ATOM 843 CG LYS A 131 -11.991 -10.437 -3.026 1.00 0.00 C ATOM 844 CD LYS A 131 -11.839 -11.421 -4.158 1.00 0.00 C ATOM 845 CE LYS A 131 -13.152 -11.627 -4.880 1.00 0.00 C ATOM 846 NZ LYS A 131 -13.062 -12.720 -5.869 1.00 0.00 N ATOM 0 H LYS A 131 -12.880 -10.030 -0.512 1.00 0.00 H new ATOM 0 HA LYS A 131 -9.955 -9.569 -0.363 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -9.959 -9.802 -2.833 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -10.323 -11.304 -2.007 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -12.800 -10.758 -2.370 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -12.272 -9.462 -3.425 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -11.087 -11.060 -4.860 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -11.480 -12.374 -3.770 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -13.934 -11.854 -4.156 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -13.441 -10.704 -5.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -13.980 -12.834 -6.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -12.332 -12.491 -6.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -12.811 -13.606 -5.386 1.00 0.00 H new ATOM 860 N PHE A 132 -10.271 -7.227 -1.238 1.00 0.00 N ATOM 861 CA PHE A 132 -10.515 -5.803 -1.420 1.00 0.00 C ATOM 862 C PHE A 132 -10.656 -5.431 -2.894 1.00 0.00 C ATOM 863 O PHE A 132 -9.901 -5.905 -3.745 1.00 0.00 O ATOM 864 CB PHE A 132 -9.388 -4.997 -0.780 1.00 0.00 C ATOM 865 CG PHE A 132 -9.714 -3.546 -0.555 1.00 0.00 C ATOM 866 CD1 PHE A 132 -10.317 -3.137 0.621 1.00 0.00 C ATOM 867 CD2 PHE A 132 -9.401 -2.595 -1.505 1.00 0.00 C ATOM 868 CE1 PHE A 132 -10.603 -1.807 0.842 1.00 0.00 C ATOM 869 CE2 PHE A 132 -9.686 -1.262 -1.293 1.00 0.00 C ATOM 870 CZ PHE A 132 -10.286 -0.869 -0.118 1.00 0.00 C ATOM 0 H PHE A 132 -9.287 -7.479 -1.146 1.00 0.00 H new ATOM 0 HA PHE A 132 -11.459 -5.564 -0.931 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -9.130 -5.452 0.176 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -8.504 -5.064 -1.414 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -10.567 -3.869 1.375 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -8.927 -2.898 -2.427 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -11.074 -1.500 1.764 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -9.439 -0.529 -2.047 1.00 0.00 H new ATOM 0 HZ PHE A 132 -10.509 0.174 0.052 1.00 0.00 H new ATOM 880 N ASP A 133 -11.637 -4.591 -3.182 1.00 0.00 N ATOM 881 CA ASP A 133 -11.867 -4.087 -4.533 1.00 0.00 C ATOM 882 C ASP A 133 -11.476 -2.615 -4.601 1.00 0.00 C ATOM 883 O ASP A 133 -11.838 -1.839 -3.718 1.00 0.00 O ATOM 884 CB ASP A 133 -13.337 -4.263 -4.934 1.00 0.00 C ATOM 885 CG ASP A 133 -13.628 -3.756 -6.334 1.00 0.00 C ATOM 886 OD1 ASP A 133 -13.233 -4.430 -7.309 1.00 0.00 O ATOM 887 OD2 ASP A 133 -14.263 -2.685 -6.468 1.00 0.00 O ATOM 0 H ASP A 133 -12.297 -4.238 -2.489 1.00 0.00 H new ATOM 0 HA ASP A 133 -11.253 -4.657 -5.231 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -13.602 -5.318 -4.872 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -13.969 -3.733 -4.222 1.00 0.00 H new ATOM 892 N PRO A 134 -10.744 -2.205 -5.654 1.00 0.00 N ATOM 893 CA PRO A 134 -10.239 -0.829 -5.780 1.00 0.00 C ATOM 894 C PRO A 134 -11.338 0.195 -6.015 1.00 0.00 C ATOM 895 O PRO A 134 -11.277 1.308 -5.507 1.00 0.00 O ATOM 896 CB PRO A 134 -9.316 -0.896 -7.005 1.00 0.00 C ATOM 897 CG PRO A 134 -9.810 -2.057 -7.801 1.00 0.00 C ATOM 898 CD PRO A 134 -10.366 -3.043 -6.810 1.00 0.00 C ATOM 0 HA PRO A 134 -9.747 -0.506 -4.863 1.00 0.00 H new ATOM 0 HB2 PRO A 134 -9.361 0.027 -7.584 1.00 0.00 H new ATOM 0 HB3 PRO A 134 -8.276 -1.035 -6.708 1.00 0.00 H new ATOM 0 HG2 PRO A 134 -10.577 -1.744 -8.510 1.00 0.00 H new ATOM 0 HG3 PRO A 134 -9.002 -2.503 -8.381 1.00 0.00 H new ATOM 0 HD2 PRO A 134 -11.226 -3.576 -7.216 1.00 0.00 H new ATOM 0 HD3 PRO A 134 -9.626 -3.794 -6.535 1.00 0.00 H new ATOM 906 N ILE A 135 -12.333 -0.186 -6.787 1.00 0.00 N ATOM 907 CA ILE A 135 -13.396 0.726 -7.144 1.00 0.00 C ATOM 908 C ILE A 135 -14.394 0.902 -6.011 1.00 0.00 C ATOM 909 O ILE A 135 -14.683 2.027 -5.604 1.00 0.00 O ATOM 910 CB ILE A 135 -14.113 0.272 -8.431 1.00 0.00 C ATOM 911 CG1 ILE A 135 -13.079 0.001 -9.538 1.00 0.00 C ATOM 912 CG2 ILE A 135 -15.128 1.318 -8.881 1.00 0.00 C ATOM 913 CD1 ILE A 135 -12.068 1.123 -9.734 1.00 0.00 C ATOM 0 H ILE A 135 -12.427 -1.123 -7.180 1.00 0.00 H new ATOM 0 HA ILE A 135 -12.934 1.695 -7.332 1.00 0.00 H new ATOM 0 HB ILE A 135 -14.655 -0.651 -8.225 1.00 0.00 H new ATOM 0 HG12 ILE A 135 -12.544 -0.919 -9.303 1.00 0.00 H new ATOM 0 HG13 ILE A 135 -13.605 -0.168 -10.478 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -15.622 0.977 -9.791 1.00 0.00 H new ATOM 0 HG22 ILE A 135 -15.871 1.465 -8.097 1.00 0.00 H new ATOM 0 HG23 ILE A 135 -14.617 2.260 -9.077 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -11.376 0.854 -10.532 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -12.591 2.041 -10.002 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -11.513 1.278 -8.809 1.00 0.00 H new ATOM 925 N SER A 136 -14.928 -0.194 -5.503 1.00 0.00 N ATOM 926 CA SER A 136 -15.865 -0.121 -4.397 1.00 0.00 C ATOM 927 C SER A 136 -15.167 0.326 -3.102 1.00 0.00 C ATOM 928 O SER A 136 -15.788 0.941 -2.238 1.00 0.00 O ATOM 929 CB SER A 136 -16.575 -1.461 -4.216 1.00 0.00 C ATOM 930 OG SER A 136 -17.354 -1.771 -5.367 1.00 0.00 O ATOM 0 H SER A 136 -14.731 -1.138 -5.835 1.00 0.00 H new ATOM 0 HA SER A 136 -16.616 0.633 -4.632 1.00 0.00 H new ATOM 0 HB2 SER A 136 -15.841 -2.248 -4.043 1.00 0.00 H new ATOM 0 HB3 SER A 136 -17.216 -1.424 -3.335 1.00 0.00 H new ATOM 0 HG SER A 136 -17.801 -2.633 -5.237 1.00 0.00 H new ATOM 936 N ARG A 137 -13.880 -0.014 -2.980 1.00 0.00 N ATOM 937 CA ARG A 137 -13.042 0.415 -1.847 1.00 0.00 C ATOM 938 C ARG A 137 -13.439 -0.288 -0.557 1.00 0.00 C ATOM 939 O ARG A 137 -13.463 0.318 0.512 1.00 0.00 O ATOM 940 CB ARG A 137 -13.086 1.939 -1.662 1.00 0.00 C ATOM 941 CG ARG A 137 -12.474 2.717 -2.815 1.00 0.00 C ATOM 942 CD ARG A 137 -12.829 4.191 -2.734 1.00 0.00 C ATOM 943 NE ARG A 137 -14.266 4.414 -2.927 1.00 0.00 N ATOM 944 CZ ARG A 137 -14.888 5.578 -2.722 1.00 0.00 C ATOM 945 NH1 ARG A 137 -14.215 6.630 -2.278 1.00 0.00 N ATOM 946 NH2 ARG A 137 -16.188 5.682 -2.956 1.00 0.00 N ATOM 0 H ARG A 137 -13.387 -0.593 -3.660 1.00 0.00 H new ATOM 0 HA ARG A 137 -12.017 0.130 -2.085 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -14.123 2.250 -1.537 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -12.562 2.199 -0.742 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -11.390 2.600 -2.801 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -12.827 2.307 -3.761 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -12.527 4.585 -1.764 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -12.270 4.742 -3.490 1.00 0.00 H new ATOM 0 HE ARG A 137 -14.830 3.624 -3.240 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -13.215 6.554 -2.091 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -14.697 7.516 -2.124 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -16.712 4.874 -3.292 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -16.665 6.570 -2.800 1.00 0.00 H new ATOM 960 N ASN A 138 -13.714 -1.570 -0.661 1.00 0.00 N ATOM 961 CA ASN A 138 -14.055 -2.391 0.492 1.00 0.00 C ATOM 962 C ASN A 138 -13.727 -3.834 0.176 1.00 0.00 C ATOM 963 O ASN A 138 -13.353 -4.147 -0.959 1.00 0.00 O ATOM 964 CB ASN A 138 -15.541 -2.243 0.888 1.00 0.00 C ATOM 965 CG ASN A 138 -16.514 -2.771 -0.158 1.00 0.00 C ATOM 966 OD1 ASN A 138 -17.003 -1.886 -1.007 1.00 0.00 O flip ATOM 967 ND2 ASN A 138 -16.840 -3.961 -0.184 1.00 0.00 N flip ATOM 0 H ASN A 138 -13.709 -2.078 -1.546 1.00 0.00 H new ATOM 0 HA ASN A 138 -13.469 -2.054 1.347 1.00 0.00 H new ATOM 0 HB2 ASN A 138 -15.711 -2.770 1.827 1.00 0.00 H new ATOM 0 HB3 ASN A 138 -15.755 -1.190 1.070 1.00 0.00 H new ATOM 0 HD21 ASN A 138 -16.440 -4.614 0.489 1.00 0.00 H new ATOM 0 HD22 ASN A 138 -17.510 -4.291 -0.879 1.00 0.00 H new ATOM 974 N CYS A 139 -13.864 -4.708 1.148 1.00 0.00 N ATOM 975 CA CYS A 139 -13.554 -6.104 0.925 1.00 0.00 C ATOM 976 C CYS A 139 -14.845 -6.888 0.715 1.00 0.00 C ATOM 977 O CYS A 139 -15.751 -6.847 1.546 1.00 0.00 O ATOM 978 CB CYS A 139 -12.755 -6.682 2.113 1.00 0.00 C ATOM 979 SG CYS A 139 -11.427 -5.579 2.748 1.00 0.00 S ATOM 0 H CYS A 139 -14.184 -4.482 2.090 1.00 0.00 H new ATOM 0 HA CYS A 139 -12.936 -6.191 0.031 1.00 0.00 H new ATOM 0 HB2 CYS A 139 -13.446 -6.903 2.926 1.00 0.00 H new ATOM 0 HB3 CYS A 139 -12.309 -7.629 1.808 1.00 0.00 H new ATOM 984 N VAL A 140 -14.922 -7.592 -0.401 1.00 0.00 N ATOM 985 CA VAL A 140 -16.095 -8.373 -0.742 1.00 0.00 C ATOM 986 C VAL A 140 -15.797 -9.847 -0.574 1.00 0.00 C ATOM 987 O VAL A 140 -14.633 -10.246 -0.562 1.00 0.00 O ATOM 988 CB VAL A 140 -16.558 -8.096 -2.194 1.00 0.00 C ATOM 989 CG1 VAL A 140 -16.925 -6.628 -2.370 1.00 0.00 C ATOM 990 CG2 VAL A 140 -15.482 -8.501 -3.197 1.00 0.00 C ATOM 0 H VAL A 140 -14.175 -7.637 -1.094 1.00 0.00 H new ATOM 0 HA VAL A 140 -16.901 -8.081 -0.068 1.00 0.00 H new ATOM 0 HB VAL A 140 -17.445 -8.700 -2.385 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -17.248 -6.454 -3.397 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -17.734 -6.371 -1.687 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -16.056 -6.007 -2.153 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -15.832 -8.296 -4.209 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -14.573 -7.931 -3.005 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -15.271 -9.566 -3.094 1.00 0.00 H new ATOM 1000 N LEU A 141 -16.831 -10.653 -0.442 1.00 0.00 N ATOM 1001 CA LEU A 141 -16.656 -12.080 -0.249 1.00 0.00 C ATOM 1002 C LEU A 141 -15.988 -12.725 -1.450 1.00 0.00 C ATOM 1003 O LEU A 141 -16.500 -12.664 -2.569 1.00 0.00 O ATOM 1004 CB LEU A 141 -17.992 -12.765 0.023 1.00 0.00 C ATOM 1005 CG LEU A 141 -17.915 -14.266 0.303 1.00 0.00 C ATOM 1006 CD1 LEU A 141 -17.141 -14.534 1.579 1.00 0.00 C ATOM 1007 CD2 LEU A 141 -19.304 -14.860 0.389 1.00 0.00 C ATOM 0 H LEU A 141 -17.803 -10.345 -0.465 1.00 0.00 H new ATOM 0 HA LEU A 141 -16.009 -12.208 0.619 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -18.464 -12.277 0.876 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -18.644 -12.606 -0.836 1.00 0.00 H new ATOM 0 HG LEU A 141 -17.386 -14.742 -0.523 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -17.098 -15.608 1.760 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -16.129 -14.142 1.480 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -17.639 -14.045 2.416 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -19.231 -15.929 0.589 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -19.857 -14.377 1.195 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -19.826 -14.702 -0.555 1.00 0.00 H new ATOM 1019 N ASP A 142 -14.839 -13.323 -1.214 1.00 0.00 N ATOM 1020 CA ASP A 142 -14.135 -14.036 -2.251 1.00 0.00 C ATOM 1021 C ASP A 142 -14.773 -15.391 -2.447 1.00 0.00 C ATOM 1022 O ASP A 142 -14.447 -16.361 -1.760 1.00 0.00 O ATOM 1023 CB ASP A 142 -12.650 -14.172 -1.922 1.00 0.00 C ATOM 1024 CG ASP A 142 -11.898 -14.971 -2.965 1.00 0.00 C ATOM 1025 OD1 ASP A 142 -12.054 -14.684 -4.181 1.00 0.00 O ATOM 1026 OD2 ASP A 142 -11.137 -15.883 -2.577 1.00 0.00 O ATOM 0 H ASP A 142 -14.373 -13.327 -0.307 1.00 0.00 H new ATOM 0 HA ASP A 142 -14.206 -13.469 -3.179 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -12.207 -13.180 -1.839 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -12.539 -14.653 -0.950 1.00 0.00 H new ATOM 1031 N ASN A 143 -15.713 -15.432 -3.352 1.00 0.00 N ATOM 1032 CA ASN A 143 -16.467 -16.625 -3.628 1.00 0.00 C ATOM 1033 C ASN A 143 -16.141 -17.148 -5.014 1.00 0.00 C ATOM 1034 O ASN A 143 -15.457 -18.173 -5.110 1.00 0.00 O ATOM 1035 CB ASN A 143 -17.965 -16.337 -3.512 1.00 0.00 C ATOM 1036 CG ASN A 143 -18.806 -17.594 -3.547 1.00 0.00 C ATOM 1037 OD1 ASN A 143 -18.287 -18.665 -2.986 1.00 0.00 O flip ATOM 1038 ND2 ASN A 143 -19.931 -17.590 -4.054 1.00 0.00 N flip ATOM 1039 OXT ASN A 143 -16.551 -16.506 -6.006 1.00 0.00 O ATOM 0 H ASN A 143 -15.980 -14.631 -3.924 1.00 0.00 H new ATOM 0 HA ASN A 143 -16.195 -17.387 -2.897 1.00 0.00 H new ATOM 0 HB2 ASN A 143 -18.157 -15.802 -2.582 1.00 0.00 H new ATOM 0 HB3 ASN A 143 -18.268 -15.679 -4.326 1.00 0.00 H new ATOM 0 HD21 ASN A 143 -20.296 -16.737 -4.479 1.00 0.00 H new ATOM 0 HD22 ASN A 143 -20.496 -18.439 -4.048 1.00 0.00 H new TER 1046 ASN A 143