USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=19 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 102 HIS : no HE2:sc= -5.44! C(o=-8.7!,f=-18!) USER MOD Set 1.2: A 105 ASN : amide:sc= -3.27 K(o=-8.7,f=-10!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -0.501 X(o=-0.5,f=-0.15) USER MOD Single : A 88 LYS NZ :NH3+ 162:sc= -0.0638 (180deg=-0.379) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0957 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= 0.988 K(o=0.99,f=-5.6!) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 107 HIS : no HE2:sc= 1.12 K(o=1.1,f=-3.7!) USER MOD Single : A 108 LYS NZ :NH3+ 143:sc= 1.14 (180deg=0.462) 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+ -167:sc= -0.0707 (180deg=-0.339) USER MOD Single : A 115 SER OG : rot 132:sc= 0.403 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= -0.117 USER MOD Single : A 124 MET CE :methyl 155:sc= -1.07 (180deg=-3.14!) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 130 THR OG1 : rot -5:sc= 0.812 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 SER OG : rot 83:sc= 1.16 USER MOD Single : A 138 ASN : amide:sc= -1.14 K(o=-1.1,f=-0.24) USER MOD Single : A 143 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 75 17.646 4.178 1.828 1.00 0.00 N ATOM 2 CA GLY A 75 16.577 4.477 0.855 1.00 0.00 C ATOM 3 C GLY A 75 15.218 4.536 1.513 1.00 0.00 C ATOM 4 O GLY A 75 14.512 3.527 1.565 1.00 0.00 O ATOM 0 HA2 GLY A 75 16.786 5.429 0.367 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.571 3.714 0.076 1.00 0.00 H new ATOM 10 N PRO A 76 14.825 5.709 2.043 1.00 0.00 N ATOM 11 CA PRO A 76 13.534 5.884 2.720 1.00 0.00 C ATOM 12 C PRO A 76 12.364 5.709 1.763 1.00 0.00 C ATOM 13 O PRO A 76 12.123 6.558 0.899 1.00 0.00 O ATOM 14 CB PRO A 76 13.581 7.331 3.236 1.00 0.00 C ATOM 15 CG PRO A 76 15.017 7.725 3.164 1.00 0.00 C ATOM 16 CD PRO A 76 15.599 6.954 2.022 1.00 0.00 C ATOM 0 HA PRO A 76 13.387 5.145 3.508 1.00 0.00 H new ATOM 0 HB2 PRO A 76 12.961 7.987 2.625 1.00 0.00 H new ATOM 0 HB3 PRO A 76 13.205 7.397 4.257 1.00 0.00 H new ATOM 0 HG2 PRO A 76 15.120 8.798 3.003 1.00 0.00 H new ATOM 0 HG3 PRO A 76 15.533 7.492 4.095 1.00 0.00 H new ATOM 0 HD2 PRO A 76 15.486 7.485 1.077 1.00 0.00 H new ATOM 0 HD3 PRO A 76 16.665 6.770 2.159 1.00 0.00 H new ATOM 24 N LEU A 77 11.649 4.612 1.908 1.00 0.00 N ATOM 25 CA LEU A 77 10.522 4.323 1.046 1.00 0.00 C ATOM 26 C LEU A 77 9.230 4.909 1.588 1.00 0.00 C ATOM 27 O LEU A 77 9.167 5.376 2.725 1.00 0.00 O ATOM 28 CB LEU A 77 10.371 2.818 0.829 1.00 0.00 C ATOM 29 CG LEU A 77 11.485 2.149 0.023 1.00 0.00 C ATOM 30 CD1 LEU A 77 11.189 0.671 -0.174 1.00 0.00 C ATOM 31 CD2 LEU A 77 11.660 2.844 -1.320 1.00 0.00 C ATOM 0 H LEU A 77 11.830 3.903 2.619 1.00 0.00 H new ATOM 0 HA LEU A 77 10.725 4.797 0.085 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.311 2.333 1.803 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.423 2.636 0.324 1.00 0.00 H new ATOM 0 HG LEU A 77 12.417 2.239 0.582 1.00 0.00 H new ATOM 0 HD11 LEU A 77 11.993 0.212 -0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.114 0.182 0.797 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.247 0.557 -0.711 1.00 0.00 H new ATOM 0 HD21 LEU A 77 12.457 2.356 -1.881 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.729 2.785 -1.884 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.919 3.890 -1.157 1.00 0.00 H new ATOM 43 N GLY A 78 8.208 4.854 0.769 1.00 0.00 N ATOM 44 CA GLY A 78 6.914 5.393 1.115 1.00 0.00 C ATOM 45 C GLY A 78 6.133 5.682 -0.131 1.00 0.00 C ATOM 46 O GLY A 78 4.948 5.385 -0.224 1.00 0.00 O ATOM 0 H GLY A 78 8.250 4.433 -0.159 1.00 0.00 H new ATOM 0 HA2 GLY A 78 6.370 4.684 1.740 1.00 0.00 H new ATOM 0 HA3 GLY A 78 7.035 6.305 1.699 1.00 0.00 H new ATOM 50 N SER A 79 6.821 6.250 -1.102 1.00 0.00 N ATOM 51 CA SER A 79 6.241 6.536 -2.394 1.00 0.00 C ATOM 52 C SER A 79 6.117 5.236 -3.193 1.00 0.00 C ATOM 53 O SER A 79 5.122 4.998 -3.883 1.00 0.00 O ATOM 54 CB SER A 79 7.125 7.535 -3.135 1.00 0.00 C ATOM 55 OG SER A 79 7.375 8.684 -2.329 1.00 0.00 O ATOM 0 H SER A 79 7.799 6.526 -1.014 1.00 0.00 H new ATOM 0 HA SER A 79 5.248 6.969 -2.269 1.00 0.00 H new ATOM 0 HB2 SER A 79 8.069 7.062 -3.405 1.00 0.00 H new ATOM 0 HB3 SER A 79 6.642 7.835 -4.065 1.00 0.00 H new ATOM 0 HG SER A 79 7.945 9.311 -2.821 1.00 0.00 H new ATOM 61 N ASP A 80 7.148 4.406 -3.079 1.00 0.00 N ATOM 62 CA ASP A 80 7.199 3.103 -3.723 1.00 0.00 C ATOM 63 C ASP A 80 7.739 2.097 -2.712 1.00 0.00 C ATOM 64 O ASP A 80 8.944 1.874 -2.629 1.00 0.00 O ATOM 65 CB ASP A 80 8.124 3.153 -4.955 1.00 0.00 C ATOM 66 CG ASP A 80 7.980 1.953 -5.885 1.00 0.00 C ATOM 67 OD1 ASP A 80 8.482 0.864 -5.550 1.00 0.00 O ATOM 68 OD2 ASP A 80 7.396 2.112 -6.981 1.00 0.00 O ATOM 0 H ASP A 80 7.980 4.623 -2.530 1.00 0.00 H new ATOM 0 HA ASP A 80 6.203 2.812 -4.055 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.915 4.063 -5.517 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.159 3.217 -4.618 1.00 0.00 H new ATOM 73 N LEU A 81 6.858 1.540 -1.908 1.00 0.00 N ATOM 74 CA LEU A 81 7.279 0.610 -0.871 1.00 0.00 C ATOM 75 C LEU A 81 7.277 -0.810 -1.385 1.00 0.00 C ATOM 76 O LEU A 81 6.490 -1.162 -2.246 1.00 0.00 O ATOM 77 CB LEU A 81 6.376 0.698 0.365 1.00 0.00 C ATOM 78 CG LEU A 81 6.776 -0.231 1.527 1.00 0.00 C ATOM 79 CD1 LEU A 81 8.006 0.298 2.249 1.00 0.00 C ATOM 80 CD2 LEU A 81 5.625 -0.435 2.494 1.00 0.00 C ATOM 0 H LEU A 81 5.853 1.710 -1.948 1.00 0.00 H new ATOM 0 HA LEU A 81 8.293 0.891 -0.586 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.376 1.727 0.725 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.354 0.465 0.068 1.00 0.00 H new ATOM 0 HG LEU A 81 7.026 -1.203 1.101 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.267 -0.376 3.065 1.00 0.00 H new ATOM 0 HD12 LEU A 81 8.839 0.361 1.549 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.794 1.289 2.651 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.941 -1.095 3.302 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.323 0.527 2.909 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.783 -0.883 1.967 1.00 0.00 H new ATOM 92 N ILE A 82 8.167 -1.613 -0.867 1.00 0.00 N ATOM 93 CA ILE A 82 8.198 -3.005 -1.216 1.00 0.00 C ATOM 94 C ILE A 82 7.656 -3.819 -0.053 1.00 0.00 C ATOM 95 O ILE A 82 7.865 -3.462 1.110 1.00 0.00 O ATOM 96 CB ILE A 82 9.620 -3.487 -1.567 1.00 0.00 C ATOM 97 CG1 ILE A 82 10.332 -2.458 -2.441 1.00 0.00 C ATOM 98 CG2 ILE A 82 9.541 -4.813 -2.297 1.00 0.00 C ATOM 99 CD1 ILE A 82 11.707 -2.890 -2.892 1.00 0.00 C ATOM 0 H ILE A 82 8.882 -1.324 -0.199 1.00 0.00 H new ATOM 0 HA ILE A 82 7.580 -3.143 -2.103 1.00 0.00 H new ATOM 0 HB ILE A 82 10.187 -3.612 -0.644 1.00 0.00 H new ATOM 0 HG12 ILE A 82 9.719 -2.254 -3.319 1.00 0.00 H new ATOM 0 HG13 ILE A 82 10.418 -1.523 -1.888 1.00 0.00 H new ATOM 0 HG21 ILE A 82 10.547 -5.153 -2.545 1.00 0.00 H new ATOM 0 HG22 ILE A 82 9.056 -5.551 -1.659 1.00 0.00 H new ATOM 0 HG23 ILE A 82 8.964 -4.690 -3.213 1.00 0.00 H new ATOM 0 HD11 ILE A 82 12.150 -2.108 -3.508 1.00 0.00 H new ATOM 0 HD12 ILE A 82 12.337 -3.066 -2.020 1.00 0.00 H new ATOM 0 HD13 ILE A 82 11.627 -3.809 -3.473 1.00 0.00 H new ATOM 111 N VAL A 83 6.962 -4.889 -0.358 1.00 0.00 N ATOM 112 CA VAL A 83 6.363 -5.733 0.654 1.00 0.00 C ATOM 113 C VAL A 83 6.677 -7.191 0.370 1.00 0.00 C ATOM 114 O VAL A 83 6.981 -7.558 -0.766 1.00 0.00 O ATOM 115 CB VAL A 83 4.829 -5.535 0.730 1.00 0.00 C ATOM 116 CG1 VAL A 83 4.487 -4.164 1.298 1.00 0.00 C ATOM 117 CG2 VAL A 83 4.201 -5.714 -0.640 1.00 0.00 C ATOM 0 H VAL A 83 6.795 -5.201 -1.315 1.00 0.00 H new ATOM 0 HA VAL A 83 6.788 -5.446 1.616 1.00 0.00 H new ATOM 0 HB VAL A 83 4.421 -6.292 1.400 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.404 -4.048 1.342 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.903 -4.072 2.301 1.00 0.00 H new ATOM 0 HG13 VAL A 83 4.909 -3.389 0.658 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.123 -5.571 -0.567 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.618 -4.981 -1.330 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.410 -6.719 -1.008 1.00 0.00 H new ATOM 127 N HIS A 84 6.597 -8.011 1.390 1.00 0.00 N ATOM 128 CA HIS A 84 6.921 -9.421 1.257 1.00 0.00 C ATOM 129 C HIS A 84 5.707 -10.302 1.522 1.00 0.00 C ATOM 130 O HIS A 84 5.314 -10.517 2.665 1.00 0.00 O ATOM 131 CB HIS A 84 8.104 -9.814 2.175 1.00 0.00 C ATOM 132 CG HIS A 84 7.889 -9.525 3.637 1.00 0.00 C ATOM 133 ND1 HIS A 84 7.799 -10.505 4.595 1.00 0.00 N ATOM 134 CD2 HIS A 84 7.753 -8.353 4.295 1.00 0.00 C ATOM 135 CE1 HIS A 84 7.613 -9.954 5.775 1.00 0.00 C ATOM 136 NE2 HIS A 84 7.582 -8.647 5.623 1.00 0.00 N ATOM 0 H HIS A 84 6.310 -7.730 2.327 1.00 0.00 H new ATOM 0 HA HIS A 84 7.229 -9.587 0.225 1.00 0.00 H new ATOM 0 HB2 HIS A 84 8.301 -10.879 2.054 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.996 -9.285 1.841 1.00 0.00 H new ATOM 0 HD2 HIS A 84 7.775 -7.367 3.856 1.00 0.00 H new ATOM 0 HE1 HIS A 84 7.504 -10.484 6.710 1.00 0.00 H new ATOM 0 HE2 HIS A 84 7.452 -7.965 6.370 1.00 0.00 H new ATOM 145 N GLU A 85 5.112 -10.790 0.457 1.00 0.00 N ATOM 146 CA GLU A 85 3.953 -11.662 0.556 1.00 0.00 C ATOM 147 C GLU A 85 4.277 -13.032 -0.025 1.00 0.00 C ATOM 148 O GLU A 85 4.544 -13.162 -1.222 1.00 0.00 O ATOM 149 CB GLU A 85 2.749 -11.053 -0.179 1.00 0.00 C ATOM 150 CG GLU A 85 1.743 -10.338 0.723 1.00 0.00 C ATOM 151 CD GLU A 85 2.360 -9.226 1.561 1.00 0.00 C ATOM 152 OE1 GLU A 85 2.660 -8.152 1.009 1.00 0.00 O ATOM 153 OE2 GLU A 85 2.506 -9.413 2.783 1.00 0.00 O ATOM 0 H GLU A 85 5.412 -10.598 -0.499 1.00 0.00 H new ATOM 0 HA GLU A 85 3.696 -11.772 1.610 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.115 -10.346 -0.923 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.232 -11.846 -0.720 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.948 -9.919 0.106 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.280 -11.068 1.387 1.00 0.00 H new ATOM 160 N GLY A 86 4.287 -14.044 0.832 1.00 0.00 N ATOM 161 CA GLY A 86 4.577 -15.396 0.384 1.00 0.00 C ATOM 162 C GLY A 86 6.012 -15.556 -0.089 1.00 0.00 C ATOM 163 O GLY A 86 6.326 -16.463 -0.866 1.00 0.00 O ATOM 0 H GLY A 86 4.100 -13.955 1.831 1.00 0.00 H new ATOM 0 HA2 GLY A 86 4.386 -16.094 1.199 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.899 -15.660 -0.427 1.00 0.00 H new ATOM 167 N GLY A 87 6.877 -14.676 0.377 1.00 0.00 N ATOM 168 CA GLY A 87 8.270 -14.721 -0.006 1.00 0.00 C ATOM 169 C GLY A 87 8.554 -13.897 -1.244 1.00 0.00 C ATOM 170 O GLY A 87 9.708 -13.752 -1.649 1.00 0.00 O ATOM 0 H GLY A 87 6.637 -13.922 1.021 1.00 0.00 H new ATOM 0 HA2 GLY A 87 8.883 -14.357 0.818 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.561 -15.756 -0.187 1.00 0.00 H new ATOM 174 N LYS A 88 7.511 -13.350 -1.841 1.00 0.00 N ATOM 175 CA LYS A 88 7.656 -12.551 -3.040 1.00 0.00 C ATOM 176 C LYS A 88 7.612 -11.078 -2.699 1.00 0.00 C ATOM 177 O LYS A 88 6.760 -10.636 -1.926 1.00 0.00 O ATOM 178 CB LYS A 88 6.554 -12.877 -4.049 1.00 0.00 C ATOM 179 CG LYS A 88 6.581 -14.303 -4.569 1.00 0.00 C ATOM 180 CD LYS A 88 7.872 -14.605 -5.309 1.00 0.00 C ATOM 181 CE LYS A 88 7.810 -15.956 -6.004 1.00 0.00 C ATOM 182 NZ LYS A 88 6.775 -15.979 -7.070 1.00 0.00 N ATOM 0 H LYS A 88 6.550 -13.446 -1.512 1.00 0.00 H new ATOM 0 HA LYS A 88 8.621 -12.788 -3.487 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.586 -12.691 -3.584 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.638 -12.194 -4.894 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.468 -14.997 -3.736 1.00 0.00 H new ATOM 0 HG3 LYS A 88 5.733 -14.464 -5.235 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.063 -13.824 -6.045 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.706 -14.593 -4.608 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.783 -16.188 -6.437 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.594 -16.733 -5.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 6.956 -16.776 -7.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 5.835 -16.089 -6.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 6.808 -15.088 -7.605 1.00 0.00 H new ATOM 196 N THR A 89 8.527 -10.329 -3.262 1.00 0.00 N ATOM 197 CA THR A 89 8.589 -8.914 -3.031 1.00 0.00 C ATOM 198 C THR A 89 7.714 -8.154 -4.020 1.00 0.00 C ATOM 199 O THR A 89 8.031 -8.058 -5.209 1.00 0.00 O ATOM 200 CB THR A 89 10.027 -8.411 -3.135 1.00 0.00 C ATOM 201 OG1 THR A 89 10.871 -9.465 -3.634 1.00 0.00 O ATOM 202 CG2 THR A 89 10.526 -7.943 -1.782 1.00 0.00 C ATOM 0 H THR A 89 9.247 -10.685 -3.891 1.00 0.00 H new ATOM 0 HA THR A 89 8.217 -8.733 -2.023 1.00 0.00 H new ATOM 0 HB THR A 89 10.056 -7.567 -3.824 1.00 0.00 H new ATOM 0 HG1 THR A 89 11.793 -9.141 -3.702 1.00 0.00 H new ATOM 0 HG21 THR A 89 11.552 -7.588 -1.876 1.00 0.00 H new ATOM 0 HG22 THR A 89 9.893 -7.132 -1.421 1.00 0.00 H new ATOM 0 HG23 THR A 89 10.492 -8.772 -1.075 1.00 0.00 H new ATOM 210 N TYR A 90 6.616 -7.636 -3.533 1.00 0.00 N ATOM 211 CA TYR A 90 5.715 -6.861 -4.356 1.00 0.00 C ATOM 212 C TYR A 90 5.929 -5.386 -4.093 1.00 0.00 C ATOM 213 O TYR A 90 6.274 -4.995 -2.984 1.00 0.00 O ATOM 214 CB TYR A 90 4.255 -7.222 -4.060 1.00 0.00 C ATOM 215 CG TYR A 90 3.886 -8.656 -4.370 1.00 0.00 C ATOM 216 CD1 TYR A 90 3.425 -9.018 -5.627 1.00 0.00 C ATOM 217 CD2 TYR A 90 3.983 -9.643 -3.400 1.00 0.00 C ATOM 218 CE1 TYR A 90 3.074 -10.322 -5.911 1.00 0.00 C ATOM 219 CE2 TYR A 90 3.632 -10.950 -3.674 1.00 0.00 C ATOM 220 CZ TYR A 90 3.179 -11.286 -4.931 1.00 0.00 C ATOM 221 OH TYR A 90 2.821 -12.589 -5.207 1.00 0.00 O ATOM 0 H TYR A 90 6.320 -7.737 -2.562 1.00 0.00 H new ATOM 0 HA TYR A 90 5.925 -7.088 -5.401 1.00 0.00 H new ATOM 0 HB2 TYR A 90 4.053 -7.028 -3.007 1.00 0.00 H new ATOM 0 HB3 TYR A 90 3.607 -6.561 -4.636 1.00 0.00 H new ATOM 0 HD1 TYR A 90 3.339 -8.266 -6.397 1.00 0.00 H new ATOM 0 HD2 TYR A 90 4.339 -9.385 -2.414 1.00 0.00 H new ATOM 0 HE1 TYR A 90 2.719 -10.586 -6.896 1.00 0.00 H new ATOM 0 HE2 TYR A 90 3.712 -11.706 -2.906 1.00 0.00 H new ATOM 0 HH TYR A 90 2.956 -13.141 -4.409 1.00 0.00 H new ATOM 231 N HIS A 91 5.754 -4.578 -5.105 1.00 0.00 N ATOM 232 CA HIS A 91 5.883 -3.142 -4.955 1.00 0.00 C ATOM 233 C HIS A 91 4.522 -2.499 -4.788 1.00 0.00 C ATOM 234 O HIS A 91 3.552 -2.896 -5.434 1.00 0.00 O ATOM 235 CB HIS A 91 6.607 -2.521 -6.147 1.00 0.00 C ATOM 236 CG HIS A 91 8.089 -2.711 -6.128 1.00 0.00 C ATOM 237 ND1 HIS A 91 8.977 -1.665 -6.040 1.00 0.00 N ATOM 238 CD2 HIS A 91 8.840 -3.831 -6.199 1.00 0.00 C ATOM 239 CE1 HIS A 91 10.208 -2.132 -6.062 1.00 0.00 C ATOM 240 NE2 HIS A 91 10.152 -3.445 -6.158 1.00 0.00 N ATOM 0 H HIS A 91 5.520 -4.886 -6.049 1.00 0.00 H new ATOM 0 HA HIS A 91 6.477 -2.958 -4.060 1.00 0.00 H new ATOM 0 HB2 HIS A 91 6.208 -2.952 -7.065 1.00 0.00 H new ATOM 0 HB3 HIS A 91 6.389 -1.453 -6.175 1.00 0.00 H new ATOM 0 HD1 HIS A 91 8.722 -0.680 -5.969 1.00 0.00 H new ATOM 0 HD2 HIS A 91 8.473 -4.844 -6.274 1.00 0.00 H new ATOM 0 HE1 HIS A 91 11.110 -1.540 -6.010 1.00 0.00 H new ATOM 249 N VAL A 92 4.451 -1.528 -3.913 1.00 0.00 N ATOM 250 CA VAL A 92 3.234 -0.800 -3.672 1.00 0.00 C ATOM 251 C VAL A 92 3.468 0.672 -3.927 1.00 0.00 C ATOM 252 O VAL A 92 4.299 1.307 -3.274 1.00 0.00 O ATOM 253 CB VAL A 92 2.726 -0.979 -2.226 1.00 0.00 C ATOM 254 CG1 VAL A 92 1.389 -0.274 -2.032 1.00 0.00 C ATOM 255 CG2 VAL A 92 2.618 -2.453 -1.859 1.00 0.00 C ATOM 0 H VAL A 92 5.241 -1.220 -3.346 1.00 0.00 H new ATOM 0 HA VAL A 92 2.477 -1.196 -4.349 1.00 0.00 H new ATOM 0 HB VAL A 92 3.454 -0.521 -1.557 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.050 -0.413 -1.006 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.506 0.791 -2.234 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.653 -0.694 -2.718 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.258 -2.547 -0.835 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.921 -2.946 -2.536 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.598 -2.922 -1.943 1.00 0.00 H new ATOM 265 N VAL A 93 2.751 1.197 -4.876 1.00 0.00 N ATOM 266 CA VAL A 93 2.849 2.590 -5.229 1.00 0.00 C ATOM 267 C VAL A 93 1.459 3.203 -5.265 1.00 0.00 C ATOM 268 O VAL A 93 0.526 2.624 -5.835 1.00 0.00 O ATOM 269 CB VAL A 93 3.568 2.786 -6.594 1.00 0.00 C ATOM 270 CG1 VAL A 93 2.849 2.037 -7.713 1.00 0.00 C ATOM 271 CG2 VAL A 93 3.706 4.265 -6.933 1.00 0.00 C ATOM 0 H VAL A 93 2.077 0.672 -5.433 1.00 0.00 H new ATOM 0 HA VAL A 93 3.449 3.095 -4.472 1.00 0.00 H new ATOM 0 HB VAL A 93 4.569 2.365 -6.502 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.377 2.194 -8.654 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.828 0.972 -7.483 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.828 2.409 -7.803 1.00 0.00 H new ATOM 0 HG21 VAL A 93 4.212 4.373 -7.892 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.717 4.719 -6.992 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.288 4.763 -6.158 1.00 0.00 H new ATOM 281 N CYS A 94 1.307 4.346 -4.648 1.00 0.00 N ATOM 282 CA CYS A 94 0.021 4.993 -4.596 1.00 0.00 C ATOM 283 C CYS A 94 0.020 6.274 -5.411 1.00 0.00 C ATOM 284 O CYS A 94 0.850 7.159 -5.204 1.00 0.00 O ATOM 285 CB CYS A 94 -0.383 5.260 -3.145 1.00 0.00 C ATOM 286 SG CYS A 94 -0.480 3.753 -2.125 1.00 0.00 S ATOM 0 H CYS A 94 2.058 4.848 -4.174 1.00 0.00 H new ATOM 0 HA CYS A 94 -0.717 4.324 -5.038 1.00 0.00 H new ATOM 0 HB2 CYS A 94 0.336 5.946 -2.697 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -1.351 5.760 -3.132 1.00 0.00 H new ATOM 291 N HIS A 95 -0.892 6.348 -6.364 1.00 0.00 N ATOM 292 CA HIS A 95 -1.040 7.525 -7.207 1.00 0.00 C ATOM 293 C HIS A 95 -2.205 8.353 -6.708 1.00 0.00 C ATOM 294 O HIS A 95 -2.298 9.555 -6.973 1.00 0.00 O ATOM 295 CB HIS A 95 -1.299 7.122 -8.665 1.00 0.00 C ATOM 296 CG HIS A 95 -0.242 6.249 -9.267 1.00 0.00 C ATOM 297 ND1 HIS A 95 -0.521 5.049 -9.876 1.00 0.00 N ATOM 298 CD2 HIS A 95 1.097 6.412 -9.363 1.00 0.00 C ATOM 299 CE1 HIS A 95 0.596 4.510 -10.318 1.00 0.00 C ATOM 300 NE2 HIS A 95 1.591 5.316 -10.021 1.00 0.00 N ATOM 0 H HIS A 95 -1.550 5.598 -6.576 1.00 0.00 H new ATOM 0 HA HIS A 95 -0.117 8.103 -7.162 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -2.256 6.603 -8.720 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -1.392 8.026 -9.267 1.00 0.00 H new ATOM 0 HD2 HIS A 95 1.670 7.249 -8.991 1.00 0.00 H new ATOM 0 HE1 HIS A 95 0.680 3.566 -10.836 1.00 0.00 H new ATOM 0 HE2 HIS A 95 2.573 5.152 -10.244 1.00 0.00 H new ATOM 309 N GLU A 96 -3.087 7.697 -5.978 1.00 0.00 N ATOM 310 CA GLU A 96 -4.272 8.326 -5.442 1.00 0.00 C ATOM 311 C GLU A 96 -4.372 8.037 -3.966 1.00 0.00 C ATOM 312 O GLU A 96 -3.991 6.955 -3.512 1.00 0.00 O ATOM 313 CB GLU A 96 -5.522 7.793 -6.139 1.00 0.00 C ATOM 314 CG GLU A 96 -5.496 7.905 -7.650 1.00 0.00 C ATOM 315 CD GLU A 96 -6.663 7.197 -8.290 1.00 0.00 C ATOM 316 OE1 GLU A 96 -6.608 5.958 -8.424 1.00 0.00 O ATOM 317 OE2 GLU A 96 -7.645 7.871 -8.662 1.00 0.00 O ATOM 0 H GLU A 96 -2.998 6.709 -5.741 1.00 0.00 H new ATOM 0 HA GLU A 96 -4.201 9.401 -5.609 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.655 6.746 -5.867 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -6.391 8.333 -5.762 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.509 8.957 -7.936 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -4.565 7.484 -8.029 1.00 0.00 H new ATOM 324 N GLU A 97 -4.854 8.997 -3.218 1.00 0.00 N ATOM 325 CA GLU A 97 -5.039 8.826 -1.810 1.00 0.00 C ATOM 326 C GLU A 97 -6.274 7.976 -1.552 1.00 0.00 C ATOM 327 O GLU A 97 -7.304 8.146 -2.210 1.00 0.00 O ATOM 328 CB GLU A 97 -5.173 10.178 -1.138 1.00 0.00 C ATOM 329 CG GLU A 97 -5.176 10.096 0.360 1.00 0.00 C ATOM 330 CD GLU A 97 -5.226 11.446 1.019 1.00 0.00 C ATOM 331 OE1 GLU A 97 -6.309 12.070 1.030 1.00 0.00 O ATOM 332 OE2 GLU A 97 -4.188 11.894 1.529 1.00 0.00 O ATOM 0 H GLU A 97 -5.127 9.914 -3.572 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.171 8.316 -1.392 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -4.352 10.819 -1.459 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -6.096 10.652 -1.471 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -6.033 9.507 0.685 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -4.282 9.568 0.692 1.00 0.00 H new ATOM 339 N GLY A 98 -6.170 7.077 -0.603 1.00 0.00 N ATOM 340 CA GLY A 98 -7.264 6.192 -0.300 1.00 0.00 C ATOM 341 C GLY A 98 -6.811 4.758 -0.197 1.00 0.00 C ATOM 342 O GLY A 98 -5.647 4.458 -0.444 1.00 0.00 O ATOM 0 H GLY A 98 -5.338 6.941 -0.028 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -7.728 6.495 0.639 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -8.026 6.278 -1.074 1.00 0.00 H new ATOM 346 N PRO A 99 -7.700 3.856 0.201 1.00 0.00 N ATOM 347 CA PRO A 99 -7.390 2.443 0.322 1.00 0.00 C ATOM 348 C PRO A 99 -7.597 1.670 -0.989 1.00 0.00 C ATOM 349 O PRO A 99 -8.618 1.822 -1.664 1.00 0.00 O ATOM 350 CB PRO A 99 -8.384 1.980 1.377 1.00 0.00 C ATOM 351 CG PRO A 99 -9.583 2.852 1.179 1.00 0.00 C ATOM 352 CD PRO A 99 -9.088 4.152 0.597 1.00 0.00 C ATOM 0 HA PRO A 99 -6.344 2.270 0.576 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -8.635 0.927 1.249 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -7.975 2.091 2.381 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -10.300 2.377 0.509 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -10.096 3.023 2.125 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -9.690 4.462 -0.257 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -9.132 4.959 1.328 1.00 0.00 H new ATOM 360 N ILE A 100 -6.625 0.839 -1.330 1.00 0.00 N ATOM 361 CA ILE A 100 -6.682 0.005 -2.529 1.00 0.00 C ATOM 362 C ILE A 100 -6.186 -1.406 -2.206 1.00 0.00 C ATOM 363 O ILE A 100 -5.468 -1.588 -1.236 1.00 0.00 O ATOM 364 CB ILE A 100 -5.867 0.614 -3.715 1.00 0.00 C ATOM 365 CG1 ILE A 100 -4.570 1.300 -3.227 1.00 0.00 C ATOM 366 CG2 ILE A 100 -6.727 1.587 -4.516 1.00 0.00 C ATOM 367 CD1 ILE A 100 -3.479 0.344 -2.787 1.00 0.00 C ATOM 0 H ILE A 100 -5.771 0.721 -0.785 1.00 0.00 H new ATOM 0 HA ILE A 100 -7.723 -0.040 -2.849 1.00 0.00 H new ATOM 0 HB ILE A 100 -5.574 -0.208 -4.368 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -4.183 1.928 -4.029 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -4.814 1.960 -2.395 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.141 2.000 -5.337 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -7.593 1.061 -4.917 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.062 2.396 -3.867 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.607 0.912 -2.461 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -3.843 -0.268 -1.962 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -3.201 -0.300 -3.621 1.00 0.00 H new ATOM 379 N PRO A 101 -6.575 -2.425 -2.995 1.00 0.00 N ATOM 380 CA PRO A 101 -6.186 -3.818 -2.732 1.00 0.00 C ATOM 381 C PRO A 101 -4.685 -4.057 -2.868 1.00 0.00 C ATOM 382 O PRO A 101 -3.958 -3.260 -3.469 1.00 0.00 O ATOM 383 CB PRO A 101 -6.940 -4.610 -3.803 1.00 0.00 C ATOM 384 CG PRO A 101 -7.175 -3.626 -4.888 1.00 0.00 C ATOM 385 CD PRO A 101 -7.409 -2.316 -4.199 1.00 0.00 C ATOM 0 HA PRO A 101 -6.425 -4.107 -1.709 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -6.355 -5.459 -4.156 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -7.878 -5.008 -3.417 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -6.317 -3.569 -5.558 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.035 -3.909 -5.495 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -7.111 -1.473 -4.822 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -8.461 -2.172 -3.950 1.00 0.00 H new ATOM 393 N HIS A 102 -4.233 -5.160 -2.311 1.00 0.00 N ATOM 394 CA HIS A 102 -2.841 -5.532 -2.358 1.00 0.00 C ATOM 395 C HIS A 102 -2.589 -6.417 -3.580 1.00 0.00 C ATOM 396 O HIS A 102 -3.167 -7.493 -3.693 1.00 0.00 O ATOM 397 CB HIS A 102 -2.460 -6.271 -1.066 1.00 0.00 C ATOM 398 CG HIS A 102 -1.013 -6.602 -0.954 1.00 0.00 C ATOM 399 ND1 HIS A 102 -0.477 -7.765 -1.430 1.00 0.00 N ATOM 400 CD2 HIS A 102 0.015 -5.907 -0.427 1.00 0.00 C ATOM 401 CE1 HIS A 102 0.814 -7.774 -1.214 1.00 0.00 C ATOM 402 NE2 HIS A 102 1.145 -6.663 -0.604 1.00 0.00 N ATOM 0 H HIS A 102 -4.825 -5.824 -1.812 1.00 0.00 H new ATOM 0 HA HIS A 102 -2.224 -4.637 -2.441 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -2.748 -5.658 -0.212 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -3.038 -7.193 -1.005 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -1.002 -8.512 -1.884 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -0.041 -4.937 0.046 1.00 0.00 H new ATOM 0 HE1 HIS A 102 1.493 -8.566 -1.492 1.00 0.00 H new ATOM 411 N PRO A 103 -1.689 -5.988 -4.488 1.00 0.00 N ATOM 412 CA PRO A 103 -1.416 -6.702 -5.758 1.00 0.00 C ATOM 413 C PRO A 103 -0.895 -8.129 -5.556 1.00 0.00 C ATOM 414 O PRO A 103 -0.916 -8.939 -6.475 1.00 0.00 O ATOM 415 CB PRO A 103 -0.344 -5.832 -6.434 1.00 0.00 C ATOM 416 CG PRO A 103 0.263 -5.047 -5.324 1.00 0.00 C ATOM 417 CD PRO A 103 -0.855 -4.779 -4.360 1.00 0.00 C ATOM 0 HA PRO A 103 -2.327 -6.826 -6.344 1.00 0.00 H new ATOM 0 HB2 PRO A 103 0.402 -6.445 -6.939 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -0.783 -5.178 -7.188 1.00 0.00 H new ATOM 0 HG2 PRO A 103 1.068 -5.604 -4.845 1.00 0.00 H new ATOM 0 HG3 PRO A 103 0.694 -4.116 -5.692 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -0.489 -4.645 -3.342 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -1.407 -3.876 -4.621 1.00 0.00 H new ATOM 425 N GLY A 104 -0.431 -8.426 -4.356 1.00 0.00 N ATOM 426 CA GLY A 104 0.080 -9.752 -4.071 1.00 0.00 C ATOM 427 C GLY A 104 -0.995 -10.693 -3.563 1.00 0.00 C ATOM 428 O GLY A 104 -0.876 -11.912 -3.699 1.00 0.00 O ATOM 0 H GLY A 104 -0.398 -7.775 -3.572 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.525 -10.168 -4.975 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.875 -9.680 -3.329 1.00 0.00 H new ATOM 432 N ASN A 105 -2.053 -10.126 -2.988 1.00 0.00 N ATOM 433 CA ASN A 105 -3.157 -10.908 -2.437 1.00 0.00 C ATOM 434 C ASN A 105 -4.344 -9.999 -2.135 1.00 0.00 C ATOM 435 O ASN A 105 -4.296 -9.190 -1.209 1.00 0.00 O ATOM 436 CB ASN A 105 -2.749 -11.759 -1.203 1.00 0.00 C ATOM 437 CG ASN A 105 -2.219 -10.969 -0.018 1.00 0.00 C ATOM 438 OD1 ASN A 105 -1.661 -9.880 -0.167 1.00 0.00 O ATOM 439 ND2 ASN A 105 -2.374 -11.532 1.166 1.00 0.00 N ATOM 0 H ASN A 105 -2.169 -9.117 -2.891 1.00 0.00 H new ATOM 0 HA ASN A 105 -3.454 -11.630 -3.198 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -3.615 -12.335 -0.877 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -1.987 -12.475 -1.512 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -2.026 -11.064 2.003 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -2.842 -12.435 1.244 1.00 0.00 H new ATOM 446 N VAL A 106 -5.382 -10.099 -2.960 1.00 0.00 N ATOM 447 CA VAL A 106 -6.614 -9.292 -2.815 1.00 0.00 C ATOM 448 C VAL A 106 -7.254 -9.370 -1.414 1.00 0.00 C ATOM 449 O VAL A 106 -8.161 -8.597 -1.099 1.00 0.00 O ATOM 450 CB VAL A 106 -7.669 -9.667 -3.880 1.00 0.00 C ATOM 451 CG1 VAL A 106 -7.149 -9.363 -5.276 1.00 0.00 C ATOM 452 CG2 VAL A 106 -8.060 -11.134 -3.761 1.00 0.00 C ATOM 0 H VAL A 106 -5.404 -10.740 -3.753 1.00 0.00 H new ATOM 0 HA VAL A 106 -6.288 -8.262 -2.964 1.00 0.00 H new ATOM 0 HB VAL A 106 -8.560 -9.063 -3.705 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -7.905 -9.633 -6.013 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -6.927 -8.299 -5.358 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -6.242 -9.938 -5.460 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -8.804 -11.375 -4.521 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -7.178 -11.758 -3.905 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -8.478 -11.320 -2.772 1.00 0.00 H new ATOM 462 N HIS A 107 -6.792 -10.300 -0.585 1.00 0.00 N ATOM 463 CA HIS A 107 -7.310 -10.435 0.778 1.00 0.00 C ATOM 464 C HIS A 107 -6.670 -9.406 1.710 1.00 0.00 C ATOM 465 O HIS A 107 -6.954 -9.368 2.910 1.00 0.00 O ATOM 466 CB HIS A 107 -7.092 -11.852 1.311 1.00 0.00 C ATOM 467 CG HIS A 107 -7.842 -12.898 0.549 1.00 0.00 C ATOM 468 ND1 HIS A 107 -9.221 -12.956 0.504 1.00 0.00 N ATOM 469 CD2 HIS A 107 -7.405 -13.923 -0.214 1.00 0.00 C ATOM 470 CE1 HIS A 107 -9.593 -13.972 -0.246 1.00 0.00 C ATOM 471 NE2 HIS A 107 -8.512 -14.573 -0.695 1.00 0.00 N ATOM 0 H HIS A 107 -6.063 -10.970 -0.829 1.00 0.00 H new ATOM 0 HA HIS A 107 -8.383 -10.246 0.746 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -6.027 -12.084 1.279 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -7.395 -11.889 2.357 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -9.853 -12.311 0.978 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -6.375 -14.182 -0.409 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -10.612 -14.263 -0.457 1.00 0.00 H new ATOM 480 N LYS A 108 -5.825 -8.566 1.143 1.00 0.00 N ATOM 481 CA LYS A 108 -5.171 -7.501 1.878 1.00 0.00 C ATOM 482 C LYS A 108 -5.266 -6.225 1.078 1.00 0.00 C ATOM 483 O LYS A 108 -5.441 -6.270 -0.140 1.00 0.00 O ATOM 484 CB LYS A 108 -3.697 -7.829 2.165 1.00 0.00 C ATOM 485 CG LYS A 108 -3.500 -9.025 3.075 1.00 0.00 C ATOM 486 CD LYS A 108 -2.272 -8.872 3.961 1.00 0.00 C ATOM 487 CE LYS A 108 -0.974 -8.840 3.160 1.00 0.00 C ATOM 488 NZ LYS A 108 0.218 -8.947 4.045 1.00 0.00 N ATOM 0 H LYS A 108 -5.572 -8.604 0.156 1.00 0.00 H new ATOM 0 HA LYS A 108 -5.673 -7.385 2.838 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -3.186 -8.015 1.220 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -3.223 -6.958 2.618 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -4.384 -9.154 3.700 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -3.401 -9.927 2.471 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -2.359 -7.954 4.542 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -2.236 -9.697 4.672 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -0.969 -9.659 2.441 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -0.921 -7.914 2.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 0.948 -9.520 3.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 0.594 -7.997 4.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -0.054 -9.400 4.941 1.00 0.00 H new ATOM 502 N TYR A 109 -5.172 -5.100 1.744 1.00 0.00 N ATOM 503 CA TYR A 109 -5.237 -3.828 1.063 1.00 0.00 C ATOM 504 C TYR A 109 -4.274 -2.834 1.698 1.00 0.00 C ATOM 505 O TYR A 109 -3.766 -3.068 2.790 1.00 0.00 O ATOM 506 CB TYR A 109 -6.671 -3.284 1.048 1.00 0.00 C ATOM 507 CG TYR A 109 -7.140 -2.661 2.342 1.00 0.00 C ATOM 508 CD1 TYR A 109 -7.345 -3.427 3.480 1.00 0.00 C ATOM 509 CD2 TYR A 109 -7.387 -1.302 2.412 1.00 0.00 C ATOM 510 CE1 TYR A 109 -7.781 -2.849 4.653 1.00 0.00 C ATOM 511 CE2 TYR A 109 -7.825 -0.715 3.576 1.00 0.00 C ATOM 512 CZ TYR A 109 -8.019 -1.492 4.698 1.00 0.00 C ATOM 513 OH TYR A 109 -8.453 -0.912 5.868 1.00 0.00 O ATOM 0 H TYR A 109 -5.050 -5.038 2.755 1.00 0.00 H new ATOM 0 HA TYR A 109 -4.933 -3.977 0.027 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -6.751 -2.540 0.256 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -7.348 -4.098 0.790 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -7.161 -4.491 3.447 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -7.233 -0.690 1.536 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -7.935 -3.456 5.533 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -8.016 0.347 3.611 1.00 0.00 H new ATOM 0 HH TYR A 109 -8.572 0.051 5.731 1.00 0.00 H new ATOM 523 N ILE A 110 -4.024 -1.740 1.018 1.00 0.00 N ATOM 524 CA ILE A 110 -3.127 -0.727 1.522 1.00 0.00 C ATOM 525 C ILE A 110 -3.839 0.611 1.587 1.00 0.00 C ATOM 526 O ILE A 110 -4.595 0.967 0.682 1.00 0.00 O ATOM 527 CB ILE A 110 -1.843 -0.564 0.644 1.00 0.00 C ATOM 528 CG1 ILE A 110 -1.195 -1.915 0.322 1.00 0.00 C ATOM 529 CG2 ILE A 110 -0.835 0.336 1.340 1.00 0.00 C ATOM 530 CD1 ILE A 110 -1.731 -2.566 -0.936 1.00 0.00 C ATOM 0 H ILE A 110 -4.432 -1.528 0.108 1.00 0.00 H new ATOM 0 HA ILE A 110 -2.818 -1.053 2.515 1.00 0.00 H new ATOM 0 HB ILE A 110 -2.151 -0.107 -0.296 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -0.119 -1.776 0.218 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.349 -2.591 1.163 1.00 0.00 H new ATOM 0 HG21 ILE A 110 0.053 0.439 0.716 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -1.278 1.318 1.506 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -0.556 -0.103 2.298 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.224 -3.517 -1.097 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -2.802 -2.739 -0.828 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -1.553 -1.911 -1.789 1.00 0.00 H new ATOM 542 N ILE A 111 -3.620 1.331 2.663 1.00 0.00 N ATOM 543 CA ILE A 111 -4.180 2.654 2.819 1.00 0.00 C ATOM 544 C ILE A 111 -3.141 3.664 2.383 1.00 0.00 C ATOM 545 O ILE A 111 -2.033 3.685 2.927 1.00 0.00 O ATOM 546 CB ILE A 111 -4.599 2.960 4.292 1.00 0.00 C ATOM 547 CG1 ILE A 111 -5.634 1.949 4.807 1.00 0.00 C ATOM 548 CG2 ILE A 111 -5.150 4.376 4.408 1.00 0.00 C ATOM 549 CD1 ILE A 111 -5.045 0.627 5.248 1.00 0.00 C ATOM 0 H ILE A 111 -3.052 1.019 3.451 1.00 0.00 H new ATOM 0 HA ILE A 111 -5.081 2.712 2.208 1.00 0.00 H new ATOM 0 HB ILE A 111 -3.706 2.873 4.911 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -6.172 2.392 5.645 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -6.366 1.763 4.021 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -5.437 4.571 5.441 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -4.385 5.090 4.102 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -6.023 4.481 3.763 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -5.843 -0.028 5.597 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -4.532 0.159 4.408 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -4.335 0.797 6.057 1.00 0.00 H new ATOM 561 N CYS A 112 -3.475 4.483 1.407 1.00 0.00 N ATOM 562 CA CYS A 112 -2.543 5.470 0.900 1.00 0.00 C ATOM 563 C CYS A 112 -2.934 6.860 1.393 1.00 0.00 C ATOM 564 O CYS A 112 -4.077 7.277 1.240 1.00 0.00 O ATOM 565 CB CYS A 112 -2.537 5.446 -0.634 1.00 0.00 C ATOM 566 SG CYS A 112 -2.362 3.778 -1.361 1.00 0.00 S ATOM 0 H CYS A 112 -4.386 4.485 0.948 1.00 0.00 H new ATOM 0 HA CYS A 112 -1.544 5.231 1.265 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -3.463 5.892 -0.996 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -1.720 6.073 -0.992 1.00 0.00 H new ATOM 571 N SER A 113 -1.991 7.556 1.994 1.00 0.00 N ATOM 572 CA SER A 113 -2.226 8.898 2.496 1.00 0.00 C ATOM 573 C SER A 113 -1.185 9.862 1.942 1.00 0.00 C ATOM 574 O SER A 113 0.010 9.574 1.967 1.00 0.00 O ATOM 575 CB SER A 113 -2.195 8.899 4.024 1.00 0.00 C ATOM 576 OG SER A 113 -3.197 8.038 4.546 1.00 0.00 O ATOM 0 H SER A 113 -1.044 7.211 2.149 1.00 0.00 H new ATOM 0 HA SER A 113 -3.211 9.229 2.166 1.00 0.00 H new ATOM 0 HB2 SER A 113 -1.214 8.577 4.373 1.00 0.00 H new ATOM 0 HB3 SER A 113 -2.349 9.912 4.395 1.00 0.00 H new ATOM 0 HG SER A 113 -3.161 8.050 5.525 1.00 0.00 H new ATOM 582 N LYS A 114 -1.635 10.993 1.434 1.00 0.00 N ATOM 583 CA LYS A 114 -0.739 11.974 0.857 1.00 0.00 C ATOM 584 C LYS A 114 -0.418 13.067 1.866 1.00 0.00 C ATOM 585 O LYS A 114 -1.294 13.831 2.263 1.00 0.00 O ATOM 586 CB LYS A 114 -1.366 12.592 -0.398 1.00 0.00 C ATOM 587 CG LYS A 114 -0.457 13.560 -1.134 1.00 0.00 C ATOM 588 CD LYS A 114 0.718 12.840 -1.751 1.00 0.00 C ATOM 589 CE LYS A 114 1.622 13.789 -2.503 1.00 0.00 C ATOM 590 NZ LYS A 114 0.889 14.577 -3.523 1.00 0.00 N ATOM 0 H LYS A 114 -2.620 11.255 1.410 1.00 0.00 H new ATOM 0 HA LYS A 114 0.187 11.470 0.582 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -1.653 11.791 -1.079 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -2.281 13.113 -0.115 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -1.022 14.074 -1.912 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -0.098 14.323 -0.443 1.00 0.00 H new ATOM 0 HD2 LYS A 114 1.288 12.337 -0.970 1.00 0.00 H new ATOM 0 HD3 LYS A 114 0.356 12.067 -2.429 1.00 0.00 H new ATOM 0 HE2 LYS A 114 2.100 14.468 -1.797 1.00 0.00 H new ATOM 0 HE3 LYS A 114 2.417 13.222 -2.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 1.569 15.045 -4.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 0.279 13.944 -4.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 0.304 15.296 -3.052 1.00 0.00 H new ATOM 604 N SER A 115 0.828 13.132 2.285 1.00 0.00 N ATOM 605 CA SER A 115 1.268 14.142 3.215 1.00 0.00 C ATOM 606 C SER A 115 2.242 15.097 2.536 1.00 0.00 C ATOM 607 O SER A 115 3.463 14.950 2.643 1.00 0.00 O ATOM 608 CB SER A 115 1.910 13.493 4.434 1.00 0.00 C ATOM 609 OG SER A 115 0.944 12.762 5.183 1.00 0.00 O ATOM 0 H SER A 115 1.560 12.486 1.990 1.00 0.00 H new ATOM 0 HA SER A 115 0.402 14.715 3.548 1.00 0.00 H new ATOM 0 HB2 SER A 115 2.712 12.826 4.117 1.00 0.00 H new ATOM 0 HB3 SER A 115 2.362 14.259 5.064 1.00 0.00 H new ATOM 0 HG SER A 115 1.297 11.872 5.392 1.00 0.00 H new ATOM 615 N GLY A 116 1.689 16.029 1.789 1.00 0.00 N ATOM 616 CA GLY A 116 2.504 16.998 1.091 1.00 0.00 C ATOM 617 C GLY A 116 3.184 16.374 -0.104 1.00 0.00 C ATOM 618 O GLY A 116 2.578 16.222 -1.157 1.00 0.00 O ATOM 0 H GLY A 116 0.684 16.135 1.650 1.00 0.00 H new ATOM 0 HA2 GLY A 116 1.884 17.833 0.766 1.00 0.00 H new ATOM 0 HA3 GLY A 116 3.254 17.404 1.770 1.00 0.00 H new ATOM 622 N SER A 117 4.442 16.012 0.056 1.00 0.00 N ATOM 623 CA SER A 117 5.192 15.364 -1.004 1.00 0.00 C ATOM 624 C SER A 117 5.532 13.928 -0.615 1.00 0.00 C ATOM 625 O SER A 117 6.206 13.209 -1.357 1.00 0.00 O ATOM 626 CB SER A 117 6.471 16.142 -1.298 1.00 0.00 C ATOM 627 OG SER A 117 7.241 16.327 -0.116 1.00 0.00 O ATOM 0 H SER A 117 4.970 16.157 0.917 1.00 0.00 H new ATOM 0 HA SER A 117 4.575 15.346 -1.902 1.00 0.00 H new ATOM 0 HB2 SER A 117 7.063 15.608 -2.041 1.00 0.00 H new ATOM 0 HB3 SER A 117 6.220 17.112 -1.728 1.00 0.00 H new ATOM 0 HG SER A 117 8.056 16.827 -0.331 1.00 0.00 H new ATOM 633 N LEU A 118 5.034 13.505 0.533 1.00 0.00 N ATOM 634 CA LEU A 118 5.362 12.196 1.062 1.00 0.00 C ATOM 635 C LEU A 118 4.126 11.332 1.172 1.00 0.00 C ATOM 636 O LEU A 118 3.094 11.775 1.670 1.00 0.00 O ATOM 637 CB LEU A 118 6.009 12.336 2.440 1.00 0.00 C ATOM 638 CG LEU A 118 6.629 11.059 3.022 1.00 0.00 C ATOM 639 CD1 LEU A 118 7.686 10.497 2.085 1.00 0.00 C ATOM 640 CD2 LEU A 118 7.226 11.336 4.390 1.00 0.00 C ATOM 0 H LEU A 118 4.400 14.051 1.117 1.00 0.00 H new ATOM 0 HA LEU A 118 6.061 11.719 0.375 1.00 0.00 H new ATOM 0 HB2 LEU A 118 6.785 13.099 2.380 1.00 0.00 H new ATOM 0 HB3 LEU A 118 5.256 12.702 3.138 1.00 0.00 H new ATOM 0 HG LEU A 118 5.840 10.315 3.131 1.00 0.00 H new ATOM 0 HD11 LEU A 118 8.112 9.592 2.518 1.00 0.00 H new ATOM 0 HD12 LEU A 118 7.231 10.260 1.123 1.00 0.00 H new ATOM 0 HD13 LEU A 118 8.474 11.236 1.941 1.00 0.00 H new ATOM 0 HD21 LEU A 118 7.662 10.420 4.789 1.00 0.00 H new ATOM 0 HD22 LEU A 118 8.001 12.098 4.301 1.00 0.00 H new ATOM 0 HD23 LEU A 118 6.445 11.689 5.063 1.00 0.00 H new ATOM 652 N TRP A 119 4.218 10.111 0.691 1.00 0.00 N ATOM 653 CA TRP A 119 3.118 9.180 0.799 1.00 0.00 C ATOM 654 C TRP A 119 3.277 8.299 2.027 1.00 0.00 C ATOM 655 O TRP A 119 4.355 7.767 2.287 1.00 0.00 O ATOM 656 CB TRP A 119 3.027 8.297 -0.451 1.00 0.00 C ATOM 657 CG TRP A 119 2.475 8.993 -1.656 1.00 0.00 C ATOM 658 CD1 TRP A 119 3.180 9.639 -2.630 1.00 0.00 C ATOM 659 CD2 TRP A 119 1.094 9.105 -2.016 1.00 0.00 C ATOM 660 NE1 TRP A 119 2.319 10.147 -3.575 1.00 0.00 N ATOM 661 CE2 TRP A 119 1.032 9.832 -3.219 1.00 0.00 C ATOM 662 CE3 TRP A 119 -0.097 8.660 -1.437 1.00 0.00 C ATOM 663 CZ2 TRP A 119 -0.174 10.123 -3.852 1.00 0.00 C ATOM 664 CZ3 TRP A 119 -1.291 8.950 -2.066 1.00 0.00 C ATOM 665 CH2 TRP A 119 -1.322 9.672 -3.257 1.00 0.00 C ATOM 0 H TRP A 119 5.044 9.741 0.221 1.00 0.00 H new ATOM 0 HA TRP A 119 2.201 9.762 0.892 1.00 0.00 H new ATOM 0 HB2 TRP A 119 4.021 7.919 -0.688 1.00 0.00 H new ATOM 0 HB3 TRP A 119 2.402 7.433 -0.227 1.00 0.00 H new ATOM 0 HD1 TRP A 119 4.255 9.737 -2.655 1.00 0.00 H new ATOM 0 HE1 TRP A 119 2.593 10.672 -4.405 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -0.084 8.099 -0.514 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -0.203 10.682 -4.776 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -2.218 8.611 -1.627 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -2.274 9.881 -3.722 1.00 0.00 H new ATOM 676 N TYR A 120 2.216 8.181 2.785 1.00 0.00 N ATOM 677 CA TYR A 120 2.172 7.283 3.916 1.00 0.00 C ATOM 678 C TYR A 120 1.269 6.128 3.585 1.00 0.00 C ATOM 679 O TYR A 120 0.134 6.323 3.153 1.00 0.00 O ATOM 680 CB TYR A 120 1.686 7.995 5.177 1.00 0.00 C ATOM 681 CG TYR A 120 2.733 8.872 5.822 1.00 0.00 C ATOM 682 CD1 TYR A 120 2.996 10.143 5.339 1.00 0.00 C ATOM 683 CD2 TYR A 120 3.459 8.422 6.915 1.00 0.00 C ATOM 684 CE1 TYR A 120 3.954 10.943 5.926 1.00 0.00 C ATOM 685 CE2 TYR A 120 4.420 9.217 7.511 1.00 0.00 C ATOM 686 CZ TYR A 120 4.661 10.478 7.011 1.00 0.00 C ATOM 687 OH TYR A 120 5.623 11.277 7.597 1.00 0.00 O ATOM 0 H TYR A 120 1.354 8.706 2.636 1.00 0.00 H new ATOM 0 HA TYR A 120 3.180 6.921 4.117 1.00 0.00 H new ATOM 0 HB2 TYR A 120 0.818 8.605 4.927 1.00 0.00 H new ATOM 0 HB3 TYR A 120 1.354 7.249 5.899 1.00 0.00 H new ATOM 0 HD1 TYR A 120 2.442 10.514 4.489 1.00 0.00 H new ATOM 0 HD2 TYR A 120 3.270 7.434 7.307 1.00 0.00 H new ATOM 0 HE1 TYR A 120 4.149 11.931 5.535 1.00 0.00 H new ATOM 0 HE2 TYR A 120 4.977 8.853 8.361 1.00 0.00 H new ATOM 0 HH TYR A 120 6.029 10.801 8.351 1.00 0.00 H new ATOM 697 N ILE A 121 1.767 4.936 3.768 1.00 0.00 N ATOM 698 CA ILE A 121 1.027 3.753 3.398 1.00 0.00 C ATOM 699 C ILE A 121 1.036 2.691 4.490 1.00 0.00 C ATOM 700 O ILE A 121 1.938 2.643 5.333 1.00 0.00 O ATOM 701 CB ILE A 121 1.544 3.159 2.052 1.00 0.00 C ATOM 702 CG1 ILE A 121 3.079 3.250 1.939 1.00 0.00 C ATOM 703 CG2 ILE A 121 0.897 3.866 0.883 1.00 0.00 C ATOM 704 CD1 ILE A 121 3.831 2.409 2.940 1.00 0.00 C ATOM 0 H ILE A 121 2.686 4.754 4.172 1.00 0.00 H new ATOM 0 HA ILE A 121 -0.008 4.068 3.264 1.00 0.00 H new ATOM 0 HB ILE A 121 1.270 2.104 2.033 1.00 0.00 H new ATOM 0 HG12 ILE A 121 3.375 2.948 0.934 1.00 0.00 H new ATOM 0 HG13 ILE A 121 3.378 4.291 2.060 1.00 0.00 H new ATOM 0 HG21 ILE A 121 1.268 3.441 -0.050 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -0.184 3.740 0.935 1.00 0.00 H new ATOM 0 HG23 ILE A 121 1.141 4.928 0.920 1.00 0.00 H new ATOM 0 HD11 ILE A 121 4.903 2.534 2.788 1.00 0.00 H new ATOM 0 HD12 ILE A 121 3.569 2.724 3.950 1.00 0.00 H new ATOM 0 HD13 ILE A 121 3.565 1.360 2.807 1.00 0.00 H new ATOM 716 N THR A 122 0.009 1.871 4.497 1.00 0.00 N ATOM 717 CA THR A 122 -0.099 0.785 5.451 1.00 0.00 C ATOM 718 C THR A 122 -0.888 -0.370 4.846 1.00 0.00 C ATOM 719 O THR A 122 -1.992 -0.171 4.346 1.00 0.00 O ATOM 720 CB THR A 122 -0.790 1.255 6.749 1.00 0.00 C ATOM 721 OG1 THR A 122 -0.173 2.468 7.213 1.00 0.00 O ATOM 722 CG2 THR A 122 -0.677 0.196 7.831 1.00 0.00 C ATOM 0 H THR A 122 -0.773 1.936 3.845 1.00 0.00 H new ATOM 0 HA THR A 122 0.910 0.450 5.694 1.00 0.00 H new ATOM 0 HB THR A 122 -1.844 1.430 6.533 1.00 0.00 H new ATOM 0 HG1 THR A 122 -0.614 2.765 8.036 1.00 0.00 H new ATOM 0 HG21 THR A 122 -1.170 0.548 8.737 1.00 0.00 H new ATOM 0 HG22 THR A 122 -1.154 -0.723 7.491 1.00 0.00 H new ATOM 0 HG23 THR A 122 0.375 0.003 8.042 1.00 0.00 H new ATOM 730 N VAL A 123 -0.325 -1.570 4.887 1.00 0.00 N ATOM 731 CA VAL A 123 -0.980 -2.727 4.310 1.00 0.00 C ATOM 732 C VAL A 123 -1.697 -3.548 5.387 1.00 0.00 C ATOM 733 O VAL A 123 -1.070 -4.212 6.218 1.00 0.00 O ATOM 734 CB VAL A 123 0.010 -3.616 3.496 1.00 0.00 C ATOM 735 CG1 VAL A 123 1.233 -3.993 4.320 1.00 0.00 C ATOM 736 CG2 VAL A 123 -0.690 -4.864 2.964 1.00 0.00 C ATOM 0 H VAL A 123 0.581 -1.763 5.313 1.00 0.00 H new ATOM 0 HA VAL A 123 -1.728 -2.355 3.610 1.00 0.00 H new ATOM 0 HB VAL A 123 0.355 -3.027 2.646 1.00 0.00 H new ATOM 0 HG11 VAL A 123 1.899 -4.612 3.720 1.00 0.00 H new ATOM 0 HG12 VAL A 123 1.757 -3.088 4.628 1.00 0.00 H new ATOM 0 HG13 VAL A 123 0.919 -4.549 5.204 1.00 0.00 H new ATOM 0 HG21 VAL A 123 0.021 -5.468 2.400 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -1.079 -5.447 3.799 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -1.513 -4.570 2.313 1.00 0.00 H new ATOM 746 N MET A 124 -3.003 -3.457 5.383 1.00 0.00 N ATOM 747 CA MET A 124 -3.833 -4.159 6.345 1.00 0.00 C ATOM 748 C MET A 124 -4.575 -5.314 5.675 1.00 0.00 C ATOM 749 O MET A 124 -5.022 -5.193 4.534 1.00 0.00 O ATOM 750 CB MET A 124 -4.846 -3.190 6.972 1.00 0.00 C ATOM 751 CG MET A 124 -4.234 -1.922 7.576 1.00 0.00 C ATOM 752 SD MET A 124 -3.669 -2.109 9.289 1.00 0.00 S ATOM 753 CE MET A 124 -2.224 -3.149 9.091 1.00 0.00 C ATOM 0 H MET A 124 -3.527 -2.894 4.713 1.00 0.00 H new ATOM 0 HA MET A 124 -3.187 -4.563 7.125 1.00 0.00 H new ATOM 0 HB2 MET A 124 -5.569 -2.900 6.210 1.00 0.00 H new ATOM 0 HB3 MET A 124 -5.397 -3.717 7.751 1.00 0.00 H new ATOM 0 HG2 MET A 124 -3.391 -1.610 6.960 1.00 0.00 H new ATOM 0 HG3 MET A 124 -4.972 -1.121 7.535 1.00 0.00 H new ATOM 0 HE1 MET A 124 -1.544 -2.991 9.928 1.00 0.00 H new ATOM 0 HE2 MET A 124 -2.529 -4.195 9.064 1.00 0.00 H new ATOM 0 HE3 MET A 124 -1.718 -2.895 8.160 1.00 0.00 H new ATOM 763 N PRO A 125 -4.689 -6.459 6.360 1.00 0.00 N ATOM 764 CA PRO A 125 -5.436 -7.602 5.851 1.00 0.00 C ATOM 765 C PRO A 125 -6.931 -7.455 6.123 1.00 0.00 C ATOM 766 O PRO A 125 -7.330 -6.960 7.178 1.00 0.00 O ATOM 767 CB PRO A 125 -4.857 -8.773 6.644 1.00 0.00 C ATOM 768 CG PRO A 125 -4.439 -8.180 7.950 1.00 0.00 C ATOM 769 CD PRO A 125 -4.082 -6.735 7.679 1.00 0.00 C ATOM 0 HA PRO A 125 -5.345 -7.720 4.771 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -5.598 -9.560 6.786 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -4.011 -9.222 6.125 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -5.244 -8.249 8.681 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -3.586 -8.718 8.364 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -4.481 -6.074 8.448 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -3.002 -6.587 7.660 1.00 0.00 H new ATOM 777 N CYS A 126 -7.754 -7.864 5.182 1.00 0.00 N ATOM 778 CA CYS A 126 -9.190 -7.762 5.360 1.00 0.00 C ATOM 779 C CYS A 126 -9.756 -9.061 5.913 1.00 0.00 C ATOM 780 O CYS A 126 -9.006 -9.982 6.261 1.00 0.00 O ATOM 781 CB CYS A 126 -9.884 -7.413 4.044 1.00 0.00 C ATOM 782 SG CYS A 126 -11.547 -6.696 4.275 1.00 0.00 S ATOM 0 H CYS A 126 -7.459 -8.267 4.293 1.00 0.00 H new ATOM 0 HA CYS A 126 -9.379 -6.961 6.074 1.00 0.00 H new ATOM 0 HB2 CYS A 126 -9.265 -6.707 3.490 1.00 0.00 H new ATOM 0 HB3 CYS A 126 -9.965 -8.313 3.434 1.00 0.00 H new ATOM 787 N SER A 127 -11.069 -9.118 6.016 1.00 0.00 N ATOM 788 CA SER A 127 -11.759 -10.291 6.490 1.00 0.00 C ATOM 789 C SER A 127 -11.493 -11.482 5.568 1.00 0.00 C ATOM 790 O SER A 127 -11.491 -11.346 4.334 1.00 0.00 O ATOM 791 CB SER A 127 -13.259 -10.004 6.560 1.00 0.00 C ATOM 792 OG SER A 127 -13.514 -8.811 7.290 1.00 0.00 O ATOM 0 H SER A 127 -11.687 -8.344 5.770 1.00 0.00 H new ATOM 0 HA SER A 127 -11.390 -10.541 7.485 1.00 0.00 H new ATOM 0 HB2 SER A 127 -13.663 -9.912 5.552 1.00 0.00 H new ATOM 0 HB3 SER A 127 -13.772 -10.841 7.033 1.00 0.00 H new ATOM 0 HG SER A 127 -14.480 -8.646 7.320 1.00 0.00 H new ATOM 798 N ILE A 128 -11.251 -12.632 6.158 1.00 0.00 N ATOM 799 CA ILE A 128 -11.021 -13.834 5.390 1.00 0.00 C ATOM 800 C ILE A 128 -12.299 -14.208 4.644 1.00 0.00 C ATOM 801 O ILE A 128 -13.402 -14.098 5.189 1.00 0.00 O ATOM 802 CB ILE A 128 -10.534 -15.019 6.286 1.00 0.00 C ATOM 803 CG1 ILE A 128 -9.088 -14.790 6.766 1.00 0.00 C ATOM 804 CG2 ILE A 128 -10.629 -16.350 5.548 1.00 0.00 C ATOM 805 CD1 ILE A 128 -8.927 -13.692 7.797 1.00 0.00 C ATOM 0 H ILE A 128 -11.209 -12.759 7.169 1.00 0.00 H new ATOM 0 HA ILE A 128 -10.224 -13.635 4.673 1.00 0.00 H new ATOM 0 HB ILE A 128 -11.192 -15.058 7.154 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -8.708 -15.721 7.185 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -8.467 -14.552 5.902 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -10.283 -17.153 6.199 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -11.665 -16.535 5.263 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -10.007 -16.315 4.653 1.00 0.00 H new ATOM 0 HD11 ILE A 128 -7.876 -13.604 8.074 1.00 0.00 H new ATOM 0 HD12 ILE A 128 -9.272 -12.747 7.379 1.00 0.00 H new ATOM 0 HD13 ILE A 128 -9.516 -13.934 8.681 1.00 0.00 H new ATOM 817 N GLY A 129 -12.145 -14.637 3.409 1.00 0.00 N ATOM 818 CA GLY A 129 -13.292 -14.936 2.586 1.00 0.00 C ATOM 819 C GLY A 129 -13.711 -13.755 1.731 1.00 0.00 C ATOM 820 O GLY A 129 -14.494 -13.908 0.797 1.00 0.00 O ATOM 0 H GLY A 129 -11.242 -14.785 2.958 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -13.063 -15.785 1.942 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -14.125 -15.235 3.222 1.00 0.00 H new ATOM 824 N THR A 130 -13.193 -12.570 2.042 1.00 0.00 N ATOM 825 CA THR A 130 -13.526 -11.392 1.271 1.00 0.00 C ATOM 826 C THR A 130 -12.287 -10.818 0.603 1.00 0.00 C ATOM 827 O THR A 130 -11.153 -11.102 1.015 1.00 0.00 O ATOM 828 CB THR A 130 -14.212 -10.299 2.132 1.00 0.00 C ATOM 829 OG1 THR A 130 -13.357 -9.882 3.200 1.00 0.00 O ATOM 830 CG2 THR A 130 -15.525 -10.807 2.709 1.00 0.00 C ATOM 0 H THR A 130 -12.548 -12.408 2.816 1.00 0.00 H new ATOM 0 HA THR A 130 -14.236 -11.708 0.507 1.00 0.00 H new ATOM 0 HB THR A 130 -14.414 -9.448 1.481 1.00 0.00 H new ATOM 0 HG1 THR A 130 -12.551 -10.439 3.210 1.00 0.00 H new ATOM 0 HG21 THR A 130 -15.987 -10.022 3.309 1.00 0.00 H new ATOM 0 HG22 THR A 130 -16.196 -11.085 1.896 1.00 0.00 H new ATOM 0 HG23 THR A 130 -15.334 -11.678 3.336 1.00 0.00 H new ATOM 838 N LYS A 131 -12.501 -10.032 -0.428 1.00 0.00 N ATOM 839 CA LYS A 131 -11.426 -9.405 -1.161 1.00 0.00 C ATOM 840 C LYS A 131 -11.694 -7.917 -1.289 1.00 0.00 C ATOM 841 O LYS A 131 -12.850 -7.495 -1.350 1.00 0.00 O ATOM 842 CB LYS A 131 -11.281 -10.040 -2.547 1.00 0.00 C ATOM 843 CG LYS A 131 -12.548 -9.986 -3.387 1.00 0.00 C ATOM 844 CD LYS A 131 -12.349 -10.650 -4.734 1.00 0.00 C ATOM 845 CE LYS A 131 -13.619 -10.605 -5.565 1.00 0.00 C ATOM 846 NZ LYS A 131 -13.411 -11.156 -6.927 1.00 0.00 N ATOM 0 H LYS A 131 -13.431 -9.809 -0.783 1.00 0.00 H new ATOM 0 HA LYS A 131 -10.493 -9.554 -0.617 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -10.479 -9.535 -3.085 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -10.979 -11.081 -2.429 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -13.361 -10.479 -2.854 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -12.846 -8.948 -3.532 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -11.542 -10.152 -5.272 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -12.043 -11.686 -4.589 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -14.403 -11.171 -5.061 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -13.967 -9.575 -5.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -14.302 -11.107 -7.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -12.682 -10.601 -7.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -13.104 -12.147 -6.857 1.00 0.00 H new ATOM 860 N PHE A 132 -10.647 -7.134 -1.318 1.00 0.00 N ATOM 861 CA PHE A 132 -10.786 -5.697 -1.407 1.00 0.00 C ATOM 862 C PHE A 132 -10.871 -5.251 -2.868 1.00 0.00 C ATOM 863 O PHE A 132 -10.119 -5.733 -3.722 1.00 0.00 O ATOM 864 CB PHE A 132 -9.607 -5.021 -0.706 1.00 0.00 C ATOM 865 CG PHE A 132 -9.844 -3.582 -0.356 1.00 0.00 C ATOM 866 CD1 PHE A 132 -10.435 -3.241 0.847 1.00 0.00 C ATOM 867 CD2 PHE A 132 -9.469 -2.574 -1.218 1.00 0.00 C ATOM 868 CE1 PHE A 132 -10.646 -1.921 1.181 1.00 0.00 C ATOM 869 CE2 PHE A 132 -9.676 -1.252 -0.892 1.00 0.00 C ATOM 870 CZ PHE A 132 -10.265 -0.926 0.311 1.00 0.00 C ATOM 0 H PHE A 132 -9.683 -7.466 -1.281 1.00 0.00 H new ATOM 0 HA PHE A 132 -11.711 -5.401 -0.911 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -9.376 -5.572 0.206 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -8.730 -5.087 -1.349 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -10.735 -4.019 1.533 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -9.007 -2.824 -2.161 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -11.109 -1.668 2.123 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -9.378 -0.472 -1.577 1.00 0.00 H new ATOM 0 HZ PHE A 132 -10.427 0.110 0.570 1.00 0.00 H new ATOM 880 N ASP A 133 -11.799 -4.351 -3.152 1.00 0.00 N ATOM 881 CA ASP A 133 -11.971 -3.817 -4.503 1.00 0.00 C ATOM 882 C ASP A 133 -11.360 -2.425 -4.595 1.00 0.00 C ATOM 883 O ASP A 133 -11.563 -1.599 -3.709 1.00 0.00 O ATOM 884 CB ASP A 133 -13.458 -3.777 -4.886 1.00 0.00 C ATOM 885 CG ASP A 133 -13.684 -3.271 -6.302 1.00 0.00 C ATOM 886 OD1 ASP A 133 -13.471 -4.051 -7.259 1.00 0.00 O ATOM 887 OD2 ASP A 133 -14.076 -2.097 -6.465 1.00 0.00 O ATOM 0 H ASP A 133 -12.450 -3.971 -2.465 1.00 0.00 H new ATOM 0 HA ASP A 133 -11.457 -4.474 -5.205 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -13.881 -4.777 -4.790 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -13.993 -3.136 -4.185 1.00 0.00 H new ATOM 892 N PRO A 134 -10.601 -2.150 -5.672 1.00 0.00 N ATOM 893 CA PRO A 134 -9.900 -0.869 -5.853 1.00 0.00 C ATOM 894 C PRO A 134 -10.830 0.321 -6.036 1.00 0.00 C ATOM 895 O PRO A 134 -10.584 1.394 -5.493 1.00 0.00 O ATOM 896 CB PRO A 134 -9.069 -1.090 -7.124 1.00 0.00 C ATOM 897 CG PRO A 134 -9.771 -2.181 -7.853 1.00 0.00 C ATOM 898 CD PRO A 134 -10.362 -3.069 -6.801 1.00 0.00 C ATOM 0 HA PRO A 134 -9.314 -0.620 -4.968 1.00 0.00 H new ATOM 0 HB2 PRO A 134 -9.017 -0.182 -7.725 1.00 0.00 H new ATOM 0 HB3 PRO A 134 -8.044 -1.371 -6.882 1.00 0.00 H new ATOM 0 HG2 PRO A 134 -10.547 -1.778 -8.504 1.00 0.00 H new ATOM 0 HG3 PRO A 134 -9.079 -2.735 -8.487 1.00 0.00 H new ATOM 0 HD2 PRO A 134 -11.286 -3.535 -7.142 1.00 0.00 H new ATOM 0 HD3 PRO A 134 -9.681 -3.874 -6.526 1.00 0.00 H new ATOM 906 N ILE A 135 -11.886 0.137 -6.801 1.00 0.00 N ATOM 907 CA ILE A 135 -12.793 1.228 -7.088 1.00 0.00 C ATOM 908 C ILE A 135 -13.781 1.444 -5.955 1.00 0.00 C ATOM 909 O ILE A 135 -13.921 2.560 -5.448 1.00 0.00 O ATOM 910 CB ILE A 135 -13.549 1.003 -8.414 1.00 0.00 C ATOM 911 CG1 ILE A 135 -12.557 0.708 -9.551 1.00 0.00 C ATOM 912 CG2 ILE A 135 -14.402 2.218 -8.750 1.00 0.00 C ATOM 913 CD1 ILE A 135 -11.449 1.741 -9.693 1.00 0.00 C ATOM 0 H ILE A 135 -12.136 -0.752 -7.233 1.00 0.00 H new ATOM 0 HA ILE A 135 -12.184 2.126 -7.189 1.00 0.00 H new ATOM 0 HB ILE A 135 -14.207 0.142 -8.299 1.00 0.00 H new ATOM 0 HG12 ILE A 135 -12.107 -0.270 -9.381 1.00 0.00 H new ATOM 0 HG13 ILE A 135 -13.106 0.648 -10.491 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -14.929 2.044 -9.688 1.00 0.00 H new ATOM 0 HG22 ILE A 135 -15.126 2.386 -7.953 1.00 0.00 H new ATOM 0 HG23 ILE A 135 -13.763 3.095 -8.850 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -10.793 1.460 -10.517 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -11.887 2.719 -9.895 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -10.873 1.786 -8.769 1.00 0.00 H new ATOM 925 N SER A 136 -14.464 0.387 -5.555 1.00 0.00 N ATOM 926 CA SER A 136 -15.423 0.461 -4.471 1.00 0.00 C ATOM 927 C SER A 136 -14.725 0.849 -3.168 1.00 0.00 C ATOM 928 O SER A 136 -15.288 1.572 -2.338 1.00 0.00 O ATOM 929 CB SER A 136 -16.117 -0.889 -4.324 1.00 0.00 C ATOM 930 OG SER A 136 -16.546 -1.372 -5.589 1.00 0.00 O ATOM 0 H SER A 136 -14.370 -0.540 -5.970 1.00 0.00 H new ATOM 0 HA SER A 136 -16.166 1.226 -4.696 1.00 0.00 H new ATOM 0 HB2 SER A 136 -15.435 -1.606 -3.867 1.00 0.00 H new ATOM 0 HB3 SER A 136 -16.973 -0.793 -3.656 1.00 0.00 H new ATOM 0 HG SER A 136 -15.797 -1.812 -6.042 1.00 0.00 H new ATOM 936 N ARG A 137 -13.506 0.335 -2.998 1.00 0.00 N ATOM 937 CA ARG A 137 -12.660 0.639 -1.843 1.00 0.00 C ATOM 938 C ARG A 137 -13.224 0.024 -0.573 1.00 0.00 C ATOM 939 O ARG A 137 -13.227 0.640 0.492 1.00 0.00 O ATOM 940 CB ARG A 137 -12.449 2.151 -1.678 1.00 0.00 C ATOM 941 CG ARG A 137 -11.808 2.814 -2.890 1.00 0.00 C ATOM 942 CD ARG A 137 -11.645 4.308 -2.690 1.00 0.00 C ATOM 943 NE ARG A 137 -12.915 4.958 -2.356 1.00 0.00 N ATOM 944 CZ ARG A 137 -13.026 6.220 -1.944 1.00 0.00 C ATOM 945 NH1 ARG A 137 -11.953 7.002 -1.892 1.00 0.00 N ATOM 946 NH2 ARG A 137 -14.214 6.703 -1.603 1.00 0.00 N ATOM 0 H ARG A 137 -13.075 -0.308 -3.662 1.00 0.00 H new ATOM 0 HA ARG A 137 -11.684 0.191 -2.028 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -13.411 2.624 -1.482 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -11.823 2.329 -0.804 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -10.834 2.363 -3.079 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -12.421 2.629 -3.772 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -10.924 4.491 -1.894 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -11.237 4.753 -3.598 1.00 0.00 H new ATOM 0 HE ARG A 137 -13.770 4.408 -2.445 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -11.042 6.636 -2.168 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -12.041 7.968 -1.576 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -15.041 6.108 -1.656 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -14.300 7.669 -1.287 1.00 0.00 H new ATOM 960 N ASN A 138 -13.673 -1.209 -0.691 1.00 0.00 N ATOM 961 CA ASN A 138 -14.189 -1.967 0.431 1.00 0.00 C ATOM 962 C ASN A 138 -14.017 -3.442 0.131 1.00 0.00 C ATOM 963 O ASN A 138 -13.552 -3.799 -0.956 1.00 0.00 O ATOM 964 CB ASN A 138 -15.668 -1.636 0.732 1.00 0.00 C ATOM 965 CG ASN A 138 -16.630 -2.051 -0.370 1.00 0.00 C ATOM 966 OD1 ASN A 138 -17.100 -3.187 -0.408 1.00 0.00 O ATOM 967 ND2 ASN A 138 -16.947 -1.127 -1.249 1.00 0.00 N ATOM 0 H ASN A 138 -13.690 -1.717 -1.575 1.00 0.00 H new ATOM 0 HA ASN A 138 -13.628 -1.695 1.325 1.00 0.00 H new ATOM 0 HB2 ASN A 138 -15.959 -2.130 1.659 1.00 0.00 H new ATOM 0 HB3 ASN A 138 -15.763 -0.563 0.899 1.00 0.00 H new ATOM 0 HD21 ASN A 138 -17.606 -1.340 -1.998 1.00 0.00 H new ATOM 0 HD22 ASN A 138 -16.535 -0.197 -1.182 1.00 0.00 H new ATOM 974 N CYS A 139 -14.386 -4.288 1.062 1.00 0.00 N ATOM 975 CA CYS A 139 -14.215 -5.713 0.877 1.00 0.00 C ATOM 976 C CYS A 139 -15.515 -6.389 0.498 1.00 0.00 C ATOM 977 O CYS A 139 -16.540 -6.237 1.172 1.00 0.00 O ATOM 978 CB CYS A 139 -13.620 -6.352 2.127 1.00 0.00 C ATOM 979 SG CYS A 139 -11.946 -5.772 2.527 1.00 0.00 S ATOM 0 H CYS A 139 -14.805 -4.019 1.952 1.00 0.00 H new ATOM 0 HA CYS A 139 -13.519 -5.854 0.050 1.00 0.00 H new ATOM 0 HB2 CYS A 139 -14.276 -6.149 2.974 1.00 0.00 H new ATOM 0 HB3 CYS A 139 -13.597 -7.434 1.994 1.00 0.00 H new ATOM 984 N VAL A 140 -15.467 -7.124 -0.594 1.00 0.00 N ATOM 985 CA VAL A 140 -16.609 -7.849 -1.096 1.00 0.00 C ATOM 986 C VAL A 140 -16.332 -9.348 -1.029 1.00 0.00 C ATOM 987 O VAL A 140 -15.174 -9.761 -0.943 1.00 0.00 O ATOM 988 CB VAL A 140 -16.942 -7.439 -2.560 1.00 0.00 C ATOM 989 CG1 VAL A 140 -17.218 -5.941 -2.654 1.00 0.00 C ATOM 990 CG2 VAL A 140 -15.815 -7.835 -3.508 1.00 0.00 C ATOM 0 H VAL A 140 -14.626 -7.234 -1.160 1.00 0.00 H new ATOM 0 HA VAL A 140 -17.470 -7.604 -0.474 1.00 0.00 H new ATOM 0 HB VAL A 140 -17.843 -7.974 -2.860 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -17.448 -5.678 -3.686 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -18.065 -5.686 -2.017 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -16.338 -5.388 -2.326 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -16.073 -7.537 -4.524 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -14.894 -7.336 -3.206 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -15.672 -8.915 -3.472 1.00 0.00 H new ATOM 1000 N LEU A 141 -17.384 -10.147 -1.039 1.00 0.00 N ATOM 1001 CA LEU A 141 -17.257 -11.603 -0.977 1.00 0.00 C ATOM 1002 C LEU A 141 -16.354 -12.122 -2.102 1.00 0.00 C ATOM 1003 O LEU A 141 -16.605 -11.873 -3.282 1.00 0.00 O ATOM 1004 CB LEU A 141 -18.656 -12.258 -1.038 1.00 0.00 C ATOM 1005 CG LEU A 141 -18.769 -13.726 -0.565 1.00 0.00 C ATOM 1006 CD1 LEU A 141 -18.185 -14.689 -1.583 1.00 0.00 C ATOM 1007 CD2 LEU A 141 -18.089 -13.906 0.787 1.00 0.00 C ATOM 0 H LEU A 141 -18.347 -9.814 -1.090 1.00 0.00 H new ATOM 0 HA LEU A 141 -16.790 -11.874 -0.030 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -19.338 -11.656 -0.437 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -19.009 -12.207 -2.068 1.00 0.00 H new ATOM 0 HG LEU A 141 -19.829 -13.957 -0.460 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -18.283 -15.710 -1.215 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -18.721 -14.590 -2.527 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -17.131 -14.459 -1.739 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -18.179 -14.945 1.104 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -17.035 -13.642 0.702 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -18.567 -13.260 1.523 1.00 0.00 H new ATOM 1019 N ASP A 142 -15.306 -12.834 -1.719 1.00 0.00 N ATOM 1020 CA ASP A 142 -14.355 -13.382 -2.671 1.00 0.00 C ATOM 1021 C ASP A 142 -14.780 -14.761 -3.132 1.00 0.00 C ATOM 1022 O ASP A 142 -14.625 -15.755 -2.410 1.00 0.00 O ATOM 1023 CB ASP A 142 -12.948 -13.437 -2.066 1.00 0.00 C ATOM 1024 CG ASP A 142 -11.965 -14.215 -2.925 1.00 0.00 C ATOM 1025 OD1 ASP A 142 -11.640 -13.756 -4.034 1.00 0.00 O ATOM 1026 OD2 ASP A 142 -11.505 -15.287 -2.483 1.00 0.00 O ATOM 0 H ASP A 142 -15.092 -13.047 -0.745 1.00 0.00 H new ATOM 0 HA ASP A 142 -14.335 -12.721 -3.537 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -12.577 -12.421 -1.928 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -13.000 -13.894 -1.078 1.00 0.00 H new ATOM 1031 N ASN A 143 -15.347 -14.815 -4.311 1.00 0.00 N ATOM 1032 CA ASN A 143 -15.762 -16.067 -4.913 1.00 0.00 C ATOM 1033 C ASN A 143 -15.456 -16.044 -6.398 1.00 0.00 C ATOM 1034 O ASN A 143 -16.302 -15.551 -7.177 1.00 0.00 O ATOM 1035 CB ASN A 143 -17.258 -16.316 -4.683 1.00 0.00 C ATOM 1036 CG ASN A 143 -17.748 -17.600 -5.333 1.00 0.00 C ATOM 1037 OD1 ASN A 143 -17.003 -18.577 -5.462 1.00 0.00 O ATOM 1038 ND2 ASN A 143 -19.001 -17.608 -5.745 1.00 0.00 N ATOM 1039 OXT ASN A 143 -14.360 -16.484 -6.785 1.00 0.00 O ATOM 0 H ASN A 143 -15.536 -13.993 -4.885 1.00 0.00 H new ATOM 0 HA ASN A 143 -15.209 -16.880 -4.443 1.00 0.00 H new ATOM 0 HB2 ASN A 143 -17.454 -16.359 -3.612 1.00 0.00 H new ATOM 0 HB3 ASN A 143 -17.827 -15.474 -5.078 1.00 0.00 H new ATOM 0 HD21 ASN A 143 -19.387 -18.442 -6.188 1.00 0.00 H new ATOM 0 HD22 ASN A 143 -19.584 -16.781 -5.620 1.00 0.00 H new TER 1046 ASN A 143