USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=17 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= -1.28 K(o=0.71,f=-7.3!) USER MOD Set 1.2: A 105 ASN : amide:sc= 1.98 K(o=0.71,f=-6.8!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -0.0228 X(o=-0.023,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0739 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= 0.0969! C(o=0.097!,f=-5.5!) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 107 HIS : no HE2:sc= -0.312 K(o=-0.31,f=-0.96) USER MOD Single : A 108 LYS NZ :NH3+ -151:sc= 0.999 (180deg=-0.664!) 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 133:sc= 0.516 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 120 TYR OH : rot 30:sc= -0.0404 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl 165:sc= -2.07! (180deg=-2.85!) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 130 THR OG1 : rot -49:sc= 1.22 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 SER OG : rot 77:sc= 1.27 USER MOD Single : A 138 ASN : amide:sc= -1.25 K(o=-1.2,f=-0.19) USER MOD Single : A 143 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 75 11.566 6.823 9.381 1.00 0.00 N ATOM 2 CA GLY A 75 10.589 5.721 9.457 1.00 0.00 C ATOM 3 C GLY A 75 10.536 4.920 8.173 1.00 0.00 C ATOM 4 O GLY A 75 11.559 4.754 7.504 1.00 0.00 O ATOM 0 HA2 GLY A 75 10.850 5.062 10.285 1.00 0.00 H new ATOM 0 HA3 GLY A 75 9.601 6.127 9.672 1.00 0.00 H new ATOM 10 N PRO A 76 9.357 4.401 7.801 1.00 0.00 N ATOM 11 CA PRO A 76 9.190 3.621 6.582 1.00 0.00 C ATOM 12 C PRO A 76 8.973 4.506 5.356 1.00 0.00 C ATOM 13 O PRO A 76 8.788 5.724 5.475 1.00 0.00 O ATOM 14 CB PRO A 76 7.937 2.803 6.876 1.00 0.00 C ATOM 15 CG PRO A 76 7.114 3.686 7.754 1.00 0.00 C ATOM 16 CD PRO A 76 8.085 4.533 8.546 1.00 0.00 C ATOM 0 HA PRO A 76 10.070 3.022 6.347 1.00 0.00 H new ATOM 0 HB2 PRO A 76 7.405 2.547 5.959 1.00 0.00 H new ATOM 0 HB3 PRO A 76 8.183 1.865 7.374 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.449 4.312 7.159 1.00 0.00 H new ATOM 0 HG3 PRO A 76 6.485 3.094 8.419 1.00 0.00 H new ATOM 0 HD2 PRO A 76 7.759 5.572 8.600 1.00 0.00 H new ATOM 0 HD3 PRO A 76 8.183 4.176 9.571 1.00 0.00 H new ATOM 24 N LEU A 77 9.002 3.892 4.186 1.00 0.00 N ATOM 25 CA LEU A 77 8.796 4.610 2.939 1.00 0.00 C ATOM 26 C LEU A 77 7.307 4.673 2.602 1.00 0.00 C ATOM 27 O LEU A 77 6.468 4.191 3.365 1.00 0.00 O ATOM 28 CB LEU A 77 9.573 3.937 1.800 1.00 0.00 C ATOM 29 CG LEU A 77 11.093 3.858 1.985 1.00 0.00 C ATOM 30 CD1 LEU A 77 11.734 3.118 0.823 1.00 0.00 C ATOM 31 CD2 LEU A 77 11.693 5.250 2.125 1.00 0.00 C ATOM 0 H LEU A 77 9.167 2.892 4.073 1.00 0.00 H new ATOM 0 HA LEU A 77 9.168 5.627 3.059 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.189 2.925 1.671 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.366 4.477 0.876 1.00 0.00 H new ATOM 0 HG LEU A 77 11.296 3.305 2.902 1.00 0.00 H new ATOM 0 HD11 LEU A 77 12.813 3.072 0.972 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.332 2.106 0.769 1.00 0.00 H new ATOM 0 HD13 LEU A 77 11.518 3.644 -0.107 1.00 0.00 H new ATOM 0 HD21 LEU A 77 12.772 5.170 2.255 1.00 0.00 H new ATOM 0 HD22 LEU A 77 11.478 5.831 1.228 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.259 5.748 2.992 1.00 0.00 H new ATOM 43 N GLY A 78 6.988 5.249 1.459 1.00 0.00 N ATOM 44 CA GLY A 78 5.600 5.379 1.070 1.00 0.00 C ATOM 45 C GLY A 78 5.421 5.493 -0.425 1.00 0.00 C ATOM 46 O GLY A 78 4.421 5.028 -0.972 1.00 0.00 O ATOM 0 H GLY A 78 7.661 5.629 0.793 1.00 0.00 H new ATOM 0 HA2 GLY A 78 5.043 4.516 1.434 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.173 6.259 1.551 1.00 0.00 H new ATOM 50 N SER A 79 6.380 6.118 -1.095 1.00 0.00 N ATOM 51 CA SER A 79 6.317 6.257 -2.536 1.00 0.00 C ATOM 52 C SER A 79 6.477 4.885 -3.183 1.00 0.00 C ATOM 53 O SER A 79 5.735 4.521 -4.095 1.00 0.00 O ATOM 54 CB SER A 79 7.397 7.221 -3.036 1.00 0.00 C ATOM 55 OG SER A 79 7.186 7.570 -4.396 1.00 0.00 O ATOM 0 H SER A 79 7.205 6.533 -0.663 1.00 0.00 H new ATOM 0 HA SER A 79 5.348 6.672 -2.813 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.396 8.122 -2.423 1.00 0.00 H new ATOM 0 HB3 SER A 79 8.379 6.761 -2.924 1.00 0.00 H new ATOM 0 HG SER A 79 7.889 8.187 -4.688 1.00 0.00 H new ATOM 61 N ASP A 80 7.431 4.128 -2.682 1.00 0.00 N ATOM 62 CA ASP A 80 7.671 2.772 -3.129 1.00 0.00 C ATOM 63 C ASP A 80 8.003 1.930 -1.921 1.00 0.00 C ATOM 64 O ASP A 80 9.109 1.999 -1.388 1.00 0.00 O ATOM 65 CB ASP A 80 8.816 2.716 -4.150 1.00 0.00 C ATOM 66 CG ASP A 80 9.166 1.292 -4.571 1.00 0.00 C ATOM 67 OD1 ASP A 80 8.407 0.689 -5.357 1.00 0.00 O ATOM 68 OD2 ASP A 80 10.222 0.781 -4.142 1.00 0.00 O ATOM 0 H ASP A 80 8.067 4.439 -1.947 1.00 0.00 H new ATOM 0 HA ASP A 80 6.778 2.390 -3.624 1.00 0.00 H new ATOM 0 HB2 ASP A 80 8.538 3.293 -5.032 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.700 3.191 -3.724 1.00 0.00 H new ATOM 73 N LEU A 81 7.038 1.181 -1.458 1.00 0.00 N ATOM 74 CA LEU A 81 7.221 0.373 -0.272 1.00 0.00 C ATOM 75 C LEU A 81 7.200 -1.097 -0.651 1.00 0.00 C ATOM 76 O LEU A 81 6.277 -1.558 -1.309 1.00 0.00 O ATOM 77 CB LEU A 81 6.116 0.712 0.757 1.00 0.00 C ATOM 78 CG LEU A 81 6.332 0.246 2.218 1.00 0.00 C ATOM 79 CD1 LEU A 81 6.071 -1.240 2.378 1.00 0.00 C ATOM 80 CD2 LEU A 81 7.731 0.602 2.699 1.00 0.00 C ATOM 0 H LEU A 81 6.113 1.110 -1.882 1.00 0.00 H new ATOM 0 HA LEU A 81 8.187 0.589 0.185 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.984 1.794 0.765 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.181 0.280 0.401 1.00 0.00 H new ATOM 0 HG LEU A 81 5.609 0.775 2.839 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.233 -1.528 3.417 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.041 -1.461 2.097 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.751 -1.800 1.736 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.859 0.265 3.728 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.470 0.114 2.063 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.868 1.682 2.652 1.00 0.00 H new ATOM 92 N ILE A 82 8.228 -1.820 -0.261 1.00 0.00 N ATOM 93 CA ILE A 82 8.314 -3.226 -0.590 1.00 0.00 C ATOM 94 C ILE A 82 7.758 -4.070 0.544 1.00 0.00 C ATOM 95 O ILE A 82 7.998 -3.783 1.720 1.00 0.00 O ATOM 96 CB ILE A 82 9.765 -3.669 -0.875 1.00 0.00 C ATOM 97 CG1 ILE A 82 10.472 -2.661 -1.778 1.00 0.00 C ATOM 98 CG2 ILE A 82 9.765 -5.035 -1.530 1.00 0.00 C ATOM 99 CD1 ILE A 82 11.911 -3.024 -2.080 1.00 0.00 C ATOM 0 H ILE A 82 9.013 -1.459 0.282 1.00 0.00 H new ATOM 0 HA ILE A 82 7.724 -3.374 -1.495 1.00 0.00 H new ATOM 0 HB ILE A 82 10.303 -3.720 0.072 1.00 0.00 H new ATOM 0 HG12 ILE A 82 9.922 -2.577 -2.716 1.00 0.00 H new ATOM 0 HG13 ILE A 82 10.445 -1.680 -1.304 1.00 0.00 H new ATOM 0 HG21 ILE A 82 10.791 -5.343 -1.729 1.00 0.00 H new ATOM 0 HG22 ILE A 82 9.292 -5.757 -0.865 1.00 0.00 H new ATOM 0 HG23 ILE A 82 9.212 -4.989 -2.468 1.00 0.00 H new ATOM 0 HD11 ILE A 82 12.350 -2.264 -2.726 1.00 0.00 H new ATOM 0 HD12 ILE A 82 12.475 -3.079 -1.149 1.00 0.00 H new ATOM 0 HD13 ILE A 82 11.945 -3.991 -2.582 1.00 0.00 H new ATOM 111 N VAL A 83 7.039 -5.113 0.195 1.00 0.00 N ATOM 112 CA VAL A 83 6.428 -5.989 1.172 1.00 0.00 C ATOM 113 C VAL A 83 6.800 -7.432 0.886 1.00 0.00 C ATOM 114 O VAL A 83 7.254 -7.761 -0.218 1.00 0.00 O ATOM 115 CB VAL A 83 4.885 -5.857 1.188 1.00 0.00 C ATOM 116 CG1 VAL A 83 4.467 -4.463 1.619 1.00 0.00 C ATOM 117 CG2 VAL A 83 4.304 -6.188 -0.177 1.00 0.00 C ATOM 0 H VAL A 83 6.861 -5.379 -0.773 1.00 0.00 H new ATOM 0 HA VAL A 83 6.805 -5.690 2.150 1.00 0.00 H new ATOM 0 HB VAL A 83 4.492 -6.571 1.912 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.379 -4.394 1.623 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.847 -4.263 2.621 1.00 0.00 H new ATOM 0 HG13 VAL A 83 4.875 -3.730 0.923 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.219 -6.089 -0.144 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.709 -5.502 -0.921 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.567 -7.211 -0.446 1.00 0.00 H new ATOM 127 N HIS A 84 6.619 -8.282 1.873 1.00 0.00 N ATOM 128 CA HIS A 84 6.933 -9.688 1.722 1.00 0.00 C ATOM 129 C HIS A 84 5.679 -10.527 1.667 1.00 0.00 C ATOM 130 O HIS A 84 4.954 -10.648 2.657 1.00 0.00 O ATOM 131 CB HIS A 84 7.839 -10.176 2.853 1.00 0.00 C ATOM 132 CG HIS A 84 9.216 -9.598 2.809 1.00 0.00 C ATOM 133 ND1 HIS A 84 9.941 -9.294 3.933 1.00 0.00 N ATOM 134 CD2 HIS A 84 10.004 -9.281 1.762 1.00 0.00 C ATOM 135 CE1 HIS A 84 11.112 -8.813 3.580 1.00 0.00 C ATOM 136 NE2 HIS A 84 11.177 -8.794 2.268 1.00 0.00 N ATOM 0 H HIS A 84 6.255 -8.025 2.791 1.00 0.00 H new ATOM 0 HA HIS A 84 7.465 -9.800 0.777 1.00 0.00 H new ATOM 0 HB2 HIS A 84 7.379 -9.925 3.809 1.00 0.00 H new ATOM 0 HB3 HIS A 84 7.909 -11.263 2.808 1.00 0.00 H new ATOM 0 HD2 HIS A 84 9.755 -9.391 0.717 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.890 -8.488 4.255 1.00 0.00 H new ATOM 0 HE2 HIS A 84 11.972 -8.469 1.717 1.00 0.00 H new ATOM 145 N GLU A 85 5.428 -11.111 0.519 1.00 0.00 N ATOM 146 CA GLU A 85 4.275 -11.974 0.345 1.00 0.00 C ATOM 147 C GLU A 85 4.747 -13.379 0.030 1.00 0.00 C ATOM 148 O GLU A 85 5.208 -13.656 -1.086 1.00 0.00 O ATOM 149 CB GLU A 85 3.363 -11.470 -0.778 1.00 0.00 C ATOM 150 CG GLU A 85 2.853 -10.047 -0.599 1.00 0.00 C ATOM 151 CD GLU A 85 2.104 -9.841 0.698 1.00 0.00 C ATOM 152 OE1 GLU A 85 1.371 -10.753 1.120 1.00 0.00 O ATOM 153 OE2 GLU A 85 2.215 -8.745 1.285 1.00 0.00 O ATOM 0 H GLU A 85 6.007 -11.006 -0.314 1.00 0.00 H new ATOM 0 HA GLU A 85 3.699 -11.970 1.270 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.906 -11.530 -1.721 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.507 -12.140 -0.859 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.697 -9.358 -0.637 1.00 0.00 H new ATOM 0 HG3 GLU A 85 2.198 -9.795 -1.433 1.00 0.00 H new ATOM 160 N GLY A 86 4.672 -14.252 1.015 1.00 0.00 N ATOM 161 CA GLY A 86 5.112 -15.618 0.825 1.00 0.00 C ATOM 162 C GLY A 86 6.618 -15.713 0.672 1.00 0.00 C ATOM 163 O GLY A 86 7.134 -16.658 0.077 1.00 0.00 O ATOM 0 H GLY A 86 4.314 -14.042 1.947 1.00 0.00 H new ATOM 0 HA2 GLY A 86 4.795 -16.223 1.675 1.00 0.00 H new ATOM 0 HA3 GLY A 86 4.631 -16.034 -0.060 1.00 0.00 H new ATOM 167 N GLY A 87 7.319 -14.724 1.199 1.00 0.00 N ATOM 168 CA GLY A 87 8.764 -14.704 1.102 1.00 0.00 C ATOM 169 C GLY A 87 9.259 -13.876 -0.069 1.00 0.00 C ATOM 170 O GLY A 87 10.416 -13.457 -0.092 1.00 0.00 O ATOM 0 H GLY A 87 6.913 -13.931 1.695 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.181 -14.305 2.027 1.00 0.00 H new ATOM 0 HA3 GLY A 87 9.132 -15.725 1.001 1.00 0.00 H new ATOM 174 N LYS A 88 8.386 -13.628 -1.040 1.00 0.00 N ATOM 175 CA LYS A 88 8.763 -12.851 -2.206 1.00 0.00 C ATOM 176 C LYS A 88 8.483 -11.379 -2.001 1.00 0.00 C ATOM 177 O LYS A 88 7.650 -11.004 -1.172 1.00 0.00 O ATOM 178 CB LYS A 88 8.064 -13.356 -3.453 1.00 0.00 C ATOM 179 CG LYS A 88 8.559 -14.713 -3.908 1.00 0.00 C ATOM 180 CD LYS A 88 8.034 -15.053 -5.282 1.00 0.00 C ATOM 181 CE LYS A 88 6.527 -15.234 -5.278 1.00 0.00 C ATOM 182 NZ LYS A 88 6.013 -15.615 -6.615 1.00 0.00 N ATOM 0 H LYS A 88 7.419 -13.953 -1.039 1.00 0.00 H new ATOM 0 HA LYS A 88 9.837 -12.975 -2.344 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.992 -13.413 -3.263 1.00 0.00 H new ATOM 0 HB3 LYS A 88 8.207 -12.636 -4.258 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.649 -14.720 -3.920 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.243 -15.476 -3.196 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.304 -14.261 -5.981 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.509 -15.967 -5.637 1.00 0.00 H new ATOM 0 HE2 LYS A 88 6.255 -16.001 -4.552 1.00 0.00 H new ATOM 0 HE3 LYS A 88 6.051 -14.308 -4.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 4.980 -15.729 -6.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 6.250 -14.872 -7.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 6.448 -16.512 -6.911 1.00 0.00 H new ATOM 196 N THR A 89 9.177 -10.554 -2.750 1.00 0.00 N ATOM 197 CA THR A 89 9.056 -9.127 -2.632 1.00 0.00 C ATOM 198 C THR A 89 8.066 -8.543 -3.619 1.00 0.00 C ATOM 199 O THR A 89 8.080 -8.867 -4.806 1.00 0.00 O ATOM 200 CB THR A 89 10.413 -8.466 -2.840 1.00 0.00 C ATOM 201 OG1 THR A 89 11.281 -9.354 -3.567 1.00 0.00 O ATOM 202 CG2 THR A 89 11.036 -8.102 -1.513 1.00 0.00 C ATOM 0 H THR A 89 9.843 -10.859 -3.460 1.00 0.00 H new ATOM 0 HA THR A 89 8.685 -8.926 -1.627 1.00 0.00 H new ATOM 0 HB THR A 89 10.272 -7.551 -3.416 1.00 0.00 H new ATOM 0 HG1 THR A 89 12.152 -8.924 -3.700 1.00 0.00 H new ATOM 0 HG21 THR A 89 12.004 -7.631 -1.683 1.00 0.00 H new ATOM 0 HG22 THR A 89 10.383 -7.409 -0.983 1.00 0.00 H new ATOM 0 HG23 THR A 89 11.171 -9.003 -0.915 1.00 0.00 H new ATOM 210 N TYR A 90 7.207 -7.697 -3.110 1.00 0.00 N ATOM 211 CA TYR A 90 6.240 -6.994 -3.917 1.00 0.00 C ATOM 212 C TYR A 90 6.355 -5.516 -3.641 1.00 0.00 C ATOM 213 O TYR A 90 6.568 -5.114 -2.502 1.00 0.00 O ATOM 214 CB TYR A 90 4.821 -7.467 -3.600 1.00 0.00 C ATOM 215 CG TYR A 90 4.506 -8.857 -4.095 1.00 0.00 C ATOM 216 CD1 TYR A 90 5.022 -9.979 -3.463 1.00 0.00 C ATOM 217 CD2 TYR A 90 3.685 -9.043 -5.193 1.00 0.00 C ATOM 218 CE1 TYR A 90 4.726 -11.249 -3.912 1.00 0.00 C ATOM 219 CE2 TYR A 90 3.383 -10.308 -5.649 1.00 0.00 C ATOM 220 CZ TYR A 90 3.907 -11.409 -5.003 1.00 0.00 C ATOM 221 OH TYR A 90 3.610 -12.673 -5.450 1.00 0.00 O ATOM 0 H TYR A 90 7.158 -7.474 -2.116 1.00 0.00 H new ATOM 0 HA TYR A 90 6.441 -7.197 -4.969 1.00 0.00 H new ATOM 0 HB2 TYR A 90 4.673 -7.436 -2.521 1.00 0.00 H new ATOM 0 HB3 TYR A 90 4.110 -6.767 -4.040 1.00 0.00 H new ATOM 0 HD1 TYR A 90 5.666 -9.856 -2.605 1.00 0.00 H new ATOM 0 HD2 TYR A 90 3.274 -8.183 -5.701 1.00 0.00 H new ATOM 0 HE1 TYR A 90 5.136 -12.112 -3.409 1.00 0.00 H new ATOM 0 HE2 TYR A 90 2.740 -10.437 -6.507 1.00 0.00 H new ATOM 0 HH TYR A 90 3.018 -12.614 -6.229 1.00 0.00 H new ATOM 231 N HIS A 91 6.238 -4.713 -4.666 1.00 0.00 N ATOM 232 CA HIS A 91 6.333 -3.272 -4.505 1.00 0.00 C ATOM 233 C HIS A 91 4.954 -2.651 -4.424 1.00 0.00 C ATOM 234 O HIS A 91 4.009 -3.120 -5.069 1.00 0.00 O ATOM 235 CB HIS A 91 7.116 -2.634 -5.656 1.00 0.00 C ATOM 236 CG HIS A 91 8.597 -2.835 -5.585 1.00 0.00 C ATOM 237 ND1 HIS A 91 9.487 -1.798 -5.435 1.00 0.00 N ATOM 238 CD2 HIS A 91 9.347 -3.956 -5.673 1.00 0.00 C ATOM 239 CE1 HIS A 91 10.717 -2.267 -5.438 1.00 0.00 C ATOM 240 NE2 HIS A 91 10.663 -3.577 -5.581 1.00 0.00 N ATOM 0 H HIS A 91 6.077 -5.025 -5.624 1.00 0.00 H new ATOM 0 HA HIS A 91 6.868 -3.082 -3.574 1.00 0.00 H new ATOM 0 HB2 HIS A 91 6.751 -3.044 -6.598 1.00 0.00 H new ATOM 0 HB3 HIS A 91 6.908 -1.564 -5.672 1.00 0.00 H new ATOM 0 HD1 HIS A 91 9.233 -0.815 -5.336 1.00 0.00 H new ATOM 0 HD2 HIS A 91 8.979 -4.964 -5.793 1.00 0.00 H new ATOM 0 HE1 HIS A 91 11.618 -1.679 -5.340 1.00 0.00 H new ATOM 249 N VAL A 92 4.838 -1.611 -3.631 1.00 0.00 N ATOM 250 CA VAL A 92 3.595 -0.896 -3.477 1.00 0.00 C ATOM 251 C VAL A 92 3.737 0.515 -4.011 1.00 0.00 C ATOM 252 O VAL A 92 4.653 1.254 -3.617 1.00 0.00 O ATOM 253 CB VAL A 92 3.151 -0.830 -1.999 1.00 0.00 C ATOM 254 CG1 VAL A 92 1.911 0.038 -1.844 1.00 0.00 C ATOM 255 CG2 VAL A 92 2.901 -2.227 -1.446 1.00 0.00 C ATOM 0 H VAL A 92 5.606 -1.237 -3.074 1.00 0.00 H new ATOM 0 HA VAL A 92 2.837 -1.439 -4.042 1.00 0.00 H new ATOM 0 HB VAL A 92 3.958 -0.375 -1.425 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.618 0.069 -0.795 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.129 1.048 -2.190 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.097 -0.381 -2.436 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.589 -2.155 -0.404 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.117 -2.713 -2.027 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.817 -2.814 -1.511 1.00 0.00 H new ATOM 265 N VAL A 93 2.839 0.875 -4.905 1.00 0.00 N ATOM 266 CA VAL A 93 2.803 2.188 -5.516 1.00 0.00 C ATOM 267 C VAL A 93 1.357 2.662 -5.549 1.00 0.00 C ATOM 268 O VAL A 93 0.488 1.989 -6.106 1.00 0.00 O ATOM 269 CB VAL A 93 3.367 2.173 -6.966 1.00 0.00 C ATOM 270 CG1 VAL A 93 3.289 3.558 -7.593 1.00 0.00 C ATOM 271 CG2 VAL A 93 4.802 1.659 -6.988 1.00 0.00 C ATOM 0 H VAL A 93 2.101 0.252 -5.233 1.00 0.00 H new ATOM 0 HA VAL A 93 3.427 2.859 -4.926 1.00 0.00 H new ATOM 0 HB VAL A 93 2.752 1.494 -7.556 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.689 3.522 -8.606 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.250 3.885 -7.625 1.00 0.00 H new ATOM 0 HG13 VAL A 93 3.872 4.260 -6.998 1.00 0.00 H new ATOM 0 HG21 VAL A 93 5.173 1.658 -8.013 1.00 0.00 H new ATOM 0 HG22 VAL A 93 5.430 2.306 -6.375 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.831 0.644 -6.591 1.00 0.00 H new ATOM 281 N CYS A 94 1.099 3.803 -4.969 1.00 0.00 N ATOM 282 CA CYS A 94 -0.255 4.296 -4.864 1.00 0.00 C ATOM 283 C CYS A 94 -0.613 5.239 -5.992 1.00 0.00 C ATOM 284 O CYS A 94 0.136 6.162 -6.321 1.00 0.00 O ATOM 285 CB CYS A 94 -0.462 4.959 -3.520 1.00 0.00 C ATOM 286 SG CYS A 94 -0.271 3.816 -2.130 1.00 0.00 S ATOM 0 H CYS A 94 1.807 4.412 -4.560 1.00 0.00 H new ATOM 0 HA CYS A 94 -0.925 3.440 -4.947 1.00 0.00 H new ATOM 0 HB2 CYS A 94 0.250 5.777 -3.411 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -1.459 5.398 -3.488 1.00 0.00 H new ATOM 291 N HIS A 95 -1.772 4.989 -6.586 1.00 0.00 N ATOM 292 CA HIS A 95 -2.258 5.782 -7.705 1.00 0.00 C ATOM 293 C HIS A 95 -3.016 7.005 -7.211 1.00 0.00 C ATOM 294 O HIS A 95 -3.020 8.043 -7.860 1.00 0.00 O ATOM 295 CB HIS A 95 -3.174 4.939 -8.609 1.00 0.00 C ATOM 296 CG HIS A 95 -2.512 3.729 -9.210 1.00 0.00 C ATOM 297 ND1 HIS A 95 -2.010 3.700 -10.490 1.00 0.00 N ATOM 298 CD2 HIS A 95 -2.287 2.496 -8.696 1.00 0.00 C ATOM 299 CE1 HIS A 95 -1.506 2.506 -10.736 1.00 0.00 C ATOM 300 NE2 HIS A 95 -1.661 1.757 -9.664 1.00 0.00 N ATOM 0 H HIS A 95 -2.399 4.234 -6.307 1.00 0.00 H new ATOM 0 HA HIS A 95 -1.393 6.111 -8.281 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -4.038 4.615 -8.029 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -3.550 5.570 -9.414 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -2.552 2.158 -7.705 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -1.044 2.195 -11.661 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -1.364 0.786 -9.570 1.00 0.00 H new ATOM 309 N GLU A 96 -3.659 6.870 -6.065 1.00 0.00 N ATOM 310 CA GLU A 96 -4.441 7.954 -5.495 1.00 0.00 C ATOM 311 C GLU A 96 -4.411 7.884 -3.982 1.00 0.00 C ATOM 312 O GLU A 96 -3.969 6.882 -3.410 1.00 0.00 O ATOM 313 CB GLU A 96 -5.896 7.852 -5.972 1.00 0.00 C ATOM 314 CG GLU A 96 -6.580 6.553 -5.551 1.00 0.00 C ATOM 315 CD GLU A 96 -8.036 6.496 -5.945 1.00 0.00 C ATOM 316 OE1 GLU A 96 -8.884 7.012 -5.189 1.00 0.00 O ATOM 317 OE2 GLU A 96 -8.344 5.938 -7.014 1.00 0.00 O ATOM 0 H GLU A 96 -3.655 6.016 -5.508 1.00 0.00 H new ATOM 0 HA GLU A 96 -4.011 8.901 -5.821 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.461 8.696 -5.577 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.921 7.932 -7.059 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -6.055 5.710 -6.001 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -6.498 6.440 -4.470 1.00 0.00 H new ATOM 324 N GLU A 97 -4.861 8.947 -3.338 1.00 0.00 N ATOM 325 CA GLU A 97 -4.990 8.956 -1.898 1.00 0.00 C ATOM 326 C GLU A 97 -6.256 8.221 -1.507 1.00 0.00 C ATOM 327 O GLU A 97 -7.360 8.740 -1.657 1.00 0.00 O ATOM 328 CB GLU A 97 -5.029 10.382 -1.351 1.00 0.00 C ATOM 329 CG GLU A 97 -3.737 11.156 -1.525 1.00 0.00 C ATOM 330 CD GLU A 97 -3.778 12.495 -0.822 1.00 0.00 C ATOM 331 OE1 GLU A 97 -3.682 12.516 0.429 1.00 0.00 O ATOM 332 OE2 GLU A 97 -3.902 13.534 -1.507 1.00 0.00 O ATOM 0 H GLU A 97 -5.143 9.815 -3.794 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.120 8.458 -1.470 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -5.833 10.926 -1.846 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -5.275 10.344 -0.290 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -2.907 10.567 -1.135 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -3.547 11.310 -2.587 1.00 0.00 H new ATOM 339 N GLY A 98 -6.093 7.017 -1.041 1.00 0.00 N ATOM 340 CA GLY A 98 -7.215 6.216 -0.659 1.00 0.00 C ATOM 341 C GLY A 98 -6.830 4.775 -0.529 1.00 0.00 C ATOM 342 O GLY A 98 -5.715 4.401 -0.890 1.00 0.00 O ATOM 0 H GLY A 98 -5.186 6.567 -0.916 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -7.616 6.575 0.289 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -8.008 6.318 -1.400 1.00 0.00 H new ATOM 346 N PRO A 99 -7.707 3.948 0.014 1.00 0.00 N ATOM 347 CA PRO A 99 -7.448 2.536 0.158 1.00 0.00 C ATOM 348 C PRO A 99 -7.719 1.764 -1.131 1.00 0.00 C ATOM 349 O PRO A 99 -8.789 1.886 -1.739 1.00 0.00 O ATOM 350 CB PRO A 99 -8.417 2.113 1.252 1.00 0.00 C ATOM 351 CG PRO A 99 -9.568 3.049 1.120 1.00 0.00 C ATOM 352 CD PRO A 99 -9.022 4.332 0.553 1.00 0.00 C ATOM 0 HA PRO A 99 -6.404 2.331 0.394 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -8.732 1.077 1.123 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -7.958 2.186 2.238 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -10.333 2.631 0.465 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -10.038 3.223 2.088 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -9.671 4.733 -0.225 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -8.931 5.101 1.320 1.00 0.00 H new ATOM 360 N ILE A 100 -6.749 0.981 -1.539 1.00 0.00 N ATOM 361 CA ILE A 100 -6.854 0.153 -2.730 1.00 0.00 C ATOM 362 C ILE A 100 -6.326 -1.247 -2.430 1.00 0.00 C ATOM 363 O ILE A 100 -5.567 -1.418 -1.485 1.00 0.00 O ATOM 364 CB ILE A 100 -6.116 0.779 -3.963 1.00 0.00 C ATOM 365 CG1 ILE A 100 -4.824 1.516 -3.547 1.00 0.00 C ATOM 366 CG2 ILE A 100 -7.048 1.712 -4.734 1.00 0.00 C ATOM 367 CD1 ILE A 100 -3.683 0.605 -3.144 1.00 0.00 C ATOM 0 H ILE A 100 -5.856 0.896 -1.054 1.00 0.00 H new ATOM 0 HA ILE A 100 -7.908 0.092 -3.001 1.00 0.00 H new ATOM 0 HB ILE A 100 -5.825 -0.041 -4.619 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -4.496 2.143 -4.376 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -5.052 2.181 -2.714 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.516 2.136 -5.586 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -7.912 1.151 -5.089 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.382 2.516 -4.078 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.817 1.207 -2.868 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -3.987 -0.005 -2.293 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -3.422 -0.043 -3.980 1.00 0.00 H new ATOM 379 N PRO A 101 -6.733 -2.267 -3.203 1.00 0.00 N ATOM 380 CA PRO A 101 -6.320 -3.656 -2.959 1.00 0.00 C ATOM 381 C PRO A 101 -4.816 -3.865 -3.138 1.00 0.00 C ATOM 382 O PRO A 101 -4.111 -3.015 -3.687 1.00 0.00 O ATOM 383 CB PRO A 101 -7.102 -4.450 -4.009 1.00 0.00 C ATOM 384 CG PRO A 101 -7.385 -3.463 -5.079 1.00 0.00 C ATOM 385 CD PRO A 101 -7.612 -2.162 -4.375 1.00 0.00 C ATOM 0 HA PRO A 101 -6.523 -3.963 -1.933 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -6.520 -5.290 -4.387 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -8.022 -4.861 -3.593 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -6.551 -3.391 -5.777 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.261 -3.753 -5.659 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -7.348 -1.311 -5.003 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -8.656 -2.035 -4.087 1.00 0.00 H new ATOM 393 N HIS A 102 -4.339 -5.005 -2.687 1.00 0.00 N ATOM 394 CA HIS A 102 -2.935 -5.334 -2.767 1.00 0.00 C ATOM 395 C HIS A 102 -2.665 -6.026 -4.108 1.00 0.00 C ATOM 396 O HIS A 102 -3.305 -7.022 -4.425 1.00 0.00 O ATOM 397 CB HIS A 102 -2.566 -6.256 -1.593 1.00 0.00 C ATOM 398 CG HIS A 102 -1.126 -6.224 -1.200 1.00 0.00 C ATOM 399 ND1 HIS A 102 -0.302 -7.319 -1.265 1.00 0.00 N ATOM 400 CD2 HIS A 102 -0.371 -5.220 -0.709 1.00 0.00 C ATOM 401 CE1 HIS A 102 0.900 -6.991 -0.841 1.00 0.00 C ATOM 402 NE2 HIS A 102 0.889 -5.721 -0.496 1.00 0.00 N ATOM 0 H HIS A 102 -4.914 -5.728 -2.255 1.00 0.00 H new ATOM 0 HA HIS A 102 -2.326 -4.432 -2.706 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -3.170 -5.980 -0.729 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -2.834 -7.280 -1.855 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -0.578 -8.245 -1.592 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -0.698 -4.208 -0.519 1.00 0.00 H new ATOM 0 HE1 HIS A 102 1.752 -7.653 -0.786 1.00 0.00 H new ATOM 411 N PRO A 103 -1.709 -5.500 -4.906 1.00 0.00 N ATOM 412 CA PRO A 103 -1.402 -6.021 -6.262 1.00 0.00 C ATOM 413 C PRO A 103 -1.112 -7.523 -6.285 1.00 0.00 C ATOM 414 O PRO A 103 -1.480 -8.222 -7.227 1.00 0.00 O ATOM 415 CB PRO A 103 -0.149 -5.228 -6.679 1.00 0.00 C ATOM 416 CG PRO A 103 0.361 -4.615 -5.416 1.00 0.00 C ATOM 417 CD PRO A 103 -0.845 -4.365 -4.567 1.00 0.00 C ATOM 0 HA PRO A 103 -2.253 -5.897 -6.932 1.00 0.00 H new ATOM 0 HB2 PRO A 103 0.598 -5.880 -7.130 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -0.393 -4.464 -7.417 1.00 0.00 H new ATOM 0 HG2 PRO A 103 1.062 -5.282 -4.913 1.00 0.00 H new ATOM 0 HG3 PRO A 103 0.895 -3.687 -5.620 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -0.598 -4.345 -3.506 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -1.317 -3.411 -4.802 1.00 0.00 H new ATOM 425 N GLY A 104 -0.432 -7.999 -5.258 1.00 0.00 N ATOM 426 CA GLY A 104 -0.120 -9.410 -5.171 1.00 0.00 C ATOM 427 C GLY A 104 -1.328 -10.245 -4.794 1.00 0.00 C ATOM 428 O GLY A 104 -1.757 -11.114 -5.551 1.00 0.00 O ATOM 0 H GLY A 104 -0.089 -7.434 -4.481 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.271 -9.753 -6.129 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.668 -9.561 -4.433 1.00 0.00 H new ATOM 432 N ASN A 105 -1.864 -9.984 -3.619 1.00 0.00 N ATOM 433 CA ASN A 105 -3.016 -10.711 -3.105 1.00 0.00 C ATOM 434 C ASN A 105 -4.158 -9.761 -2.718 1.00 0.00 C ATOM 435 O ASN A 105 -4.055 -9.007 -1.750 1.00 0.00 O ATOM 436 CB ASN A 105 -2.595 -11.584 -1.902 1.00 0.00 C ATOM 437 CG ASN A 105 -1.543 -10.915 -1.010 1.00 0.00 C ATOM 438 OD1 ASN A 105 -1.494 -9.687 -0.878 1.00 0.00 O ATOM 439 ND2 ASN A 105 -0.676 -11.715 -0.417 1.00 0.00 N ATOM 0 H ASN A 105 -1.515 -9.261 -2.989 1.00 0.00 H new ATOM 0 HA ASN A 105 -3.390 -11.358 -3.898 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -3.476 -11.815 -1.303 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -2.201 -12.532 -2.269 1.00 0.00 H new ATOM 0 HD21 ASN A 105 0.061 -11.323 0.170 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -0.743 -12.725 -0.546 1.00 0.00 H new ATOM 446 N VAL A 106 -5.233 -9.789 -3.513 1.00 0.00 N ATOM 447 CA VAL A 106 -6.439 -8.956 -3.291 1.00 0.00 C ATOM 448 C VAL A 106 -7.061 -9.164 -1.886 1.00 0.00 C ATOM 449 O VAL A 106 -7.900 -8.372 -1.439 1.00 0.00 O ATOM 450 CB VAL A 106 -7.512 -9.240 -4.378 1.00 0.00 C ATOM 451 CG1 VAL A 106 -8.665 -8.253 -4.286 1.00 0.00 C ATOM 452 CG2 VAL A 106 -6.893 -9.200 -5.765 1.00 0.00 C ATOM 0 H VAL A 106 -5.300 -10.390 -4.334 1.00 0.00 H new ATOM 0 HA VAL A 106 -6.111 -7.919 -3.358 1.00 0.00 H new ATOM 0 HB VAL A 106 -7.908 -10.240 -4.200 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -9.399 -8.478 -5.060 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -9.135 -8.333 -3.306 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -8.289 -7.240 -4.427 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.661 -9.401 -6.512 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -6.463 -8.214 -5.943 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -6.111 -9.956 -5.836 1.00 0.00 H new ATOM 462 N HIS A 107 -6.643 -10.218 -1.199 1.00 0.00 N ATOM 463 CA HIS A 107 -7.110 -10.495 0.165 1.00 0.00 C ATOM 464 C HIS A 107 -6.555 -9.440 1.158 1.00 0.00 C ATOM 465 O HIS A 107 -6.873 -9.446 2.351 1.00 0.00 O ATOM 466 CB HIS A 107 -6.703 -11.927 0.584 1.00 0.00 C ATOM 467 CG HIS A 107 -7.060 -12.293 2.000 1.00 0.00 C ATOM 468 ND1 HIS A 107 -6.172 -12.887 2.865 1.00 0.00 N ATOM 469 CD2 HIS A 107 -8.206 -12.128 2.702 1.00 0.00 C ATOM 470 CE1 HIS A 107 -6.750 -13.071 4.032 1.00 0.00 C ATOM 471 NE2 HIS A 107 -7.988 -12.616 3.965 1.00 0.00 N ATOM 0 H HIS A 107 -5.978 -10.902 -1.560 1.00 0.00 H new ATOM 0 HA HIS A 107 -8.198 -10.429 0.186 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -7.179 -12.638 -0.092 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -5.626 -12.037 0.455 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -5.212 -13.145 2.637 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -9.123 -11.692 2.335 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -6.289 -13.519 4.900 1.00 0.00 H new ATOM 480 N LYS A 108 -5.760 -8.529 0.642 1.00 0.00 N ATOM 481 CA LYS A 108 -5.189 -7.465 1.431 1.00 0.00 C ATOM 482 C LYS A 108 -5.326 -6.164 0.681 1.00 0.00 C ATOM 483 O LYS A 108 -5.532 -6.163 -0.531 1.00 0.00 O ATOM 484 CB LYS A 108 -3.713 -7.729 1.755 1.00 0.00 C ATOM 485 CG LYS A 108 -3.491 -8.912 2.681 1.00 0.00 C ATOM 486 CD LYS A 108 -2.156 -8.823 3.398 1.00 0.00 C ATOM 487 CE LYS A 108 -0.987 -8.889 2.434 1.00 0.00 C ATOM 488 NZ LYS A 108 0.306 -9.036 3.146 1.00 0.00 N ATOM 0 H LYS A 108 -5.491 -8.507 -0.342 1.00 0.00 H new ATOM 0 HA LYS A 108 -5.729 -7.412 2.377 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -3.172 -7.901 0.825 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -3.286 -6.836 2.212 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -4.296 -8.955 3.415 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -3.534 -9.837 2.106 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -2.109 -7.891 3.962 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -2.077 -9.636 4.119 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -1.124 -9.729 1.753 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -0.966 -7.985 1.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 1.065 -8.604 2.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 0.249 -8.562 4.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 0.512 -10.046 3.287 1.00 0.00 H new ATOM 502 N TYR A 109 -5.224 -5.071 1.390 1.00 0.00 N ATOM 503 CA TYR A 109 -5.321 -3.775 0.776 1.00 0.00 C ATOM 504 C TYR A 109 -4.357 -2.807 1.419 1.00 0.00 C ATOM 505 O TYR A 109 -3.710 -3.131 2.409 1.00 0.00 O ATOM 506 CB TYR A 109 -6.750 -3.237 0.811 1.00 0.00 C ATOM 507 CG TYR A 109 -7.206 -2.664 2.138 1.00 0.00 C ATOM 508 CD1 TYR A 109 -7.497 -3.483 3.220 1.00 0.00 C ATOM 509 CD2 TYR A 109 -7.369 -1.296 2.287 1.00 0.00 C ATOM 510 CE1 TYR A 109 -7.938 -2.949 4.415 1.00 0.00 C ATOM 511 CE2 TYR A 109 -7.806 -0.754 3.475 1.00 0.00 C ATOM 512 CZ TYR A 109 -8.090 -1.582 4.537 1.00 0.00 C ATOM 513 OH TYR A 109 -8.530 -1.042 5.729 1.00 0.00 O ATOM 0 H TYR A 109 -5.073 -5.054 2.399 1.00 0.00 H new ATOM 0 HA TYR A 109 -5.046 -3.885 -0.273 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -6.845 -2.462 0.050 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -7.429 -4.043 0.532 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -7.377 -4.552 3.126 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -7.149 -0.643 1.456 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -8.163 -3.597 5.249 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -7.925 0.315 3.573 1.00 0.00 H new ATOM 0 HH TYR A 109 -8.581 -0.067 5.647 1.00 0.00 H new ATOM 523 N ILE A 110 -4.257 -1.635 0.858 1.00 0.00 N ATOM 524 CA ILE A 110 -3.352 -0.636 1.350 1.00 0.00 C ATOM 525 C ILE A 110 -4.073 0.691 1.480 1.00 0.00 C ATOM 526 O ILE A 110 -4.921 1.023 0.655 1.00 0.00 O ATOM 527 CB ILE A 110 -2.164 -0.453 0.385 1.00 0.00 C ATOM 528 CG1 ILE A 110 -1.668 -1.812 -0.111 1.00 0.00 C ATOM 529 CG2 ILE A 110 -1.033 0.299 1.077 1.00 0.00 C ATOM 530 CD1 ILE A 110 -1.119 -1.771 -1.512 1.00 0.00 C ATOM 0 H ILE A 110 -4.802 -1.345 0.046 1.00 0.00 H new ATOM 0 HA ILE A 110 -2.983 -0.964 2.322 1.00 0.00 H new ATOM 0 HB ILE A 110 -2.499 0.130 -0.473 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -0.894 -2.177 0.564 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -2.489 -2.527 -0.071 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -0.200 0.421 0.384 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -1.388 1.279 1.394 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -0.700 -0.265 1.948 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -0.785 -2.767 -1.801 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -1.897 -1.436 -2.198 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -0.277 -1.080 -1.553 1.00 0.00 H new ATOM 542 N ILE A 111 -3.750 1.433 2.512 1.00 0.00 N ATOM 543 CA ILE A 111 -4.307 2.748 2.697 1.00 0.00 C ATOM 544 C ILE A 111 -3.266 3.750 2.270 1.00 0.00 C ATOM 545 O ILE A 111 -2.197 3.841 2.879 1.00 0.00 O ATOM 546 CB ILE A 111 -4.719 3.037 4.173 1.00 0.00 C ATOM 547 CG1 ILE A 111 -5.765 2.031 4.670 1.00 0.00 C ATOM 548 CG2 ILE A 111 -5.261 4.454 4.299 1.00 0.00 C ATOM 549 CD1 ILE A 111 -5.182 0.723 5.155 1.00 0.00 C ATOM 0 H ILE A 111 -3.098 1.144 3.241 1.00 0.00 H new ATOM 0 HA ILE A 111 -5.216 2.818 2.100 1.00 0.00 H new ATOM 0 HB ILE A 111 -3.829 2.934 4.794 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -6.334 2.486 5.481 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -6.468 1.826 3.863 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -5.545 4.644 5.334 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -4.493 5.166 3.997 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -6.134 4.568 3.656 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -5.986 0.068 5.489 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -4.637 0.244 4.342 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -4.501 0.914 5.985 1.00 0.00 H new ATOM 561 N CYS A 112 -3.548 4.472 1.218 1.00 0.00 N ATOM 562 CA CYS A 112 -2.595 5.414 0.690 1.00 0.00 C ATOM 563 C CYS A 112 -2.945 6.831 1.090 1.00 0.00 C ATOM 564 O CYS A 112 -4.039 7.314 0.813 1.00 0.00 O ATOM 565 CB CYS A 112 -2.543 5.299 -0.825 1.00 0.00 C ATOM 566 SG CYS A 112 -2.151 3.626 -1.420 1.00 0.00 S ATOM 0 H CYS A 112 -4.431 4.426 0.709 1.00 0.00 H new ATOM 0 HA CYS A 112 -1.616 5.178 1.107 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -3.505 5.605 -1.237 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -1.796 5.995 -1.208 1.00 0.00 H new ATOM 571 N SER A 113 -2.018 7.487 1.742 1.00 0.00 N ATOM 572 CA SER A 113 -2.194 8.858 2.150 1.00 0.00 C ATOM 573 C SER A 113 -0.977 9.665 1.742 1.00 0.00 C ATOM 574 O SER A 113 0.142 9.150 1.743 1.00 0.00 O ATOM 575 CB SER A 113 -2.404 8.935 3.666 1.00 0.00 C ATOM 576 OG SER A 113 -3.499 8.120 4.075 1.00 0.00 O ATOM 0 H SER A 113 -1.118 7.085 2.005 1.00 0.00 H new ATOM 0 HA SER A 113 -3.076 9.271 1.661 1.00 0.00 H new ATOM 0 HB2 SER A 113 -1.497 8.614 4.178 1.00 0.00 H new ATOM 0 HB3 SER A 113 -2.587 9.969 3.959 1.00 0.00 H new ATOM 0 HG SER A 113 -3.611 8.186 5.046 1.00 0.00 H new ATOM 582 N LYS A 114 -1.176 10.909 1.383 1.00 0.00 N ATOM 583 CA LYS A 114 -0.073 11.738 0.976 1.00 0.00 C ATOM 584 C LYS A 114 0.069 12.919 1.911 1.00 0.00 C ATOM 585 O LYS A 114 -0.806 13.789 1.981 1.00 0.00 O ATOM 586 CB LYS A 114 -0.237 12.208 -0.471 1.00 0.00 C ATOM 587 CG LYS A 114 0.988 12.922 -1.030 1.00 0.00 C ATOM 588 CD LYS A 114 0.810 13.260 -2.500 1.00 0.00 C ATOM 589 CE LYS A 114 2.060 13.899 -3.080 1.00 0.00 C ATOM 590 NZ LYS A 114 1.933 14.145 -4.538 1.00 0.00 N ATOM 0 H LYS A 114 -2.087 11.367 1.365 1.00 0.00 H new ATOM 0 HA LYS A 114 0.837 11.141 1.028 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -0.462 11.346 -1.100 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -1.095 12.878 -0.530 1.00 0.00 H new ATOM 0 HG2 LYS A 114 1.168 13.836 -0.464 1.00 0.00 H new ATOM 0 HG3 LYS A 114 1.868 12.291 -0.904 1.00 0.00 H new ATOM 0 HD2 LYS A 114 0.572 12.354 -3.057 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -0.035 13.938 -2.619 1.00 0.00 H new ATOM 0 HE2 LYS A 114 2.256 14.842 -2.569 1.00 0.00 H new ATOM 0 HE3 LYS A 114 2.917 13.252 -2.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 2.807 14.582 -4.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 1.772 13.243 -5.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 1.131 14.783 -4.714 1.00 0.00 H new ATOM 604 N SER A 115 1.164 12.942 2.631 1.00 0.00 N ATOM 605 CA SER A 115 1.460 14.000 3.549 1.00 0.00 C ATOM 606 C SER A 115 2.195 15.108 2.819 1.00 0.00 C ATOM 607 O SER A 115 3.425 15.183 2.847 1.00 0.00 O ATOM 608 CB SER A 115 2.309 13.459 4.698 1.00 0.00 C ATOM 609 OG SER A 115 1.559 12.559 5.506 1.00 0.00 O ATOM 0 H SER A 115 1.879 12.216 2.591 1.00 0.00 H new ATOM 0 HA SER A 115 0.534 14.403 3.960 1.00 0.00 H new ATOM 0 HB2 SER A 115 3.186 12.950 4.299 1.00 0.00 H new ATOM 0 HB3 SER A 115 2.671 14.286 5.308 1.00 0.00 H new ATOM 0 HG SER A 115 2.090 11.753 5.678 1.00 0.00 H new ATOM 615 N GLY A 116 1.438 15.922 2.113 1.00 0.00 N ATOM 616 CA GLY A 116 2.029 16.987 1.354 1.00 0.00 C ATOM 617 C GLY A 116 2.674 16.453 0.102 1.00 0.00 C ATOM 618 O GLY A 116 1.999 16.195 -0.892 1.00 0.00 O ATOM 0 H GLY A 116 0.422 15.862 2.053 1.00 0.00 H new ATOM 0 HA2 GLY A 116 1.266 17.720 1.092 1.00 0.00 H new ATOM 0 HA3 GLY A 116 2.773 17.503 1.961 1.00 0.00 H new ATOM 622 N SER A 117 3.980 16.273 0.146 1.00 0.00 N ATOM 623 CA SER A 117 4.713 15.753 -0.985 1.00 0.00 C ATOM 624 C SER A 117 5.300 14.375 -0.656 1.00 0.00 C ATOM 625 O SER A 117 6.039 13.798 -1.452 1.00 0.00 O ATOM 626 CB SER A 117 5.822 16.727 -1.385 1.00 0.00 C ATOM 627 OG SER A 117 5.292 18.032 -1.594 1.00 0.00 O ATOM 0 H SER A 117 4.556 16.482 0.961 1.00 0.00 H new ATOM 0 HA SER A 117 4.027 15.641 -1.825 1.00 0.00 H new ATOM 0 HB2 SER A 117 6.584 16.759 -0.606 1.00 0.00 H new ATOM 0 HB3 SER A 117 6.310 16.377 -2.295 1.00 0.00 H new ATOM 0 HG SER A 117 6.016 18.642 -1.847 1.00 0.00 H new ATOM 633 N LEU A 118 4.946 13.841 0.512 1.00 0.00 N ATOM 634 CA LEU A 118 5.486 12.563 0.961 1.00 0.00 C ATOM 635 C LEU A 118 4.370 11.542 1.153 1.00 0.00 C ATOM 636 O LEU A 118 3.421 11.786 1.882 1.00 0.00 O ATOM 637 CB LEU A 118 6.255 12.749 2.274 1.00 0.00 C ATOM 638 CG LEU A 118 7.131 11.570 2.716 1.00 0.00 C ATOM 639 CD1 LEU A 118 8.099 11.171 1.611 1.00 0.00 C ATOM 640 CD2 LEU A 118 7.894 11.925 3.980 1.00 0.00 C ATOM 0 H LEU A 118 4.289 14.274 1.162 1.00 0.00 H new ATOM 0 HA LEU A 118 6.167 12.191 0.196 1.00 0.00 H new ATOM 0 HB2 LEU A 118 6.889 13.630 2.178 1.00 0.00 H new ATOM 0 HB3 LEU A 118 5.536 12.958 3.066 1.00 0.00 H new ATOM 0 HG LEU A 118 6.480 10.721 2.924 1.00 0.00 H new ATOM 0 HD11 LEU A 118 8.710 10.333 1.947 1.00 0.00 H new ATOM 0 HD12 LEU A 118 7.538 10.878 0.724 1.00 0.00 H new ATOM 0 HD13 LEU A 118 8.744 12.016 1.369 1.00 0.00 H new ATOM 0 HD21 LEU A 118 8.511 11.079 4.282 1.00 0.00 H new ATOM 0 HD22 LEU A 118 8.530 12.789 3.790 1.00 0.00 H new ATOM 0 HD23 LEU A 118 7.189 12.162 4.776 1.00 0.00 H new ATOM 652 N TRP A 119 4.488 10.408 0.494 1.00 0.00 N ATOM 653 CA TRP A 119 3.477 9.363 0.590 1.00 0.00 C ATOM 654 C TRP A 119 3.692 8.468 1.805 1.00 0.00 C ATOM 655 O TRP A 119 4.811 8.053 2.088 1.00 0.00 O ATOM 656 CB TRP A 119 3.470 8.494 -0.670 1.00 0.00 C ATOM 657 CG TRP A 119 2.901 9.160 -1.881 1.00 0.00 C ATOM 658 CD1 TRP A 119 3.575 9.905 -2.803 1.00 0.00 C ATOM 659 CD2 TRP A 119 1.535 9.129 -2.308 1.00 0.00 C ATOM 660 NE1 TRP A 119 2.712 10.340 -3.777 1.00 0.00 N ATOM 661 CE2 TRP A 119 1.452 9.878 -3.494 1.00 0.00 C ATOM 662 CE3 TRP A 119 0.372 8.539 -1.800 1.00 0.00 C ATOM 663 CZ2 TRP A 119 0.254 10.053 -4.183 1.00 0.00 C ATOM 664 CZ3 TRP A 119 -0.816 8.714 -2.484 1.00 0.00 C ATOM 665 CH2 TRP A 119 -0.867 9.464 -3.663 1.00 0.00 C ATOM 0 H TRP A 119 5.273 10.181 -0.116 1.00 0.00 H new ATOM 0 HA TRP A 119 2.517 9.869 0.696 1.00 0.00 H new ATOM 0 HB2 TRP A 119 4.492 8.185 -0.888 1.00 0.00 H new ATOM 0 HB3 TRP A 119 2.899 7.588 -0.468 1.00 0.00 H new ATOM 0 HD1 TRP A 119 4.633 10.121 -2.771 1.00 0.00 H new ATOM 0 HE1 TRP A 119 2.966 10.914 -4.581 1.00 0.00 H new ATOM 0 HE3 TRP A 119 0.402 7.958 -0.890 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 0.211 10.632 -5.094 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -1.720 8.264 -2.101 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -1.811 9.581 -4.174 1.00 0.00 H new ATOM 676 N TYR A 120 2.617 8.209 2.525 1.00 0.00 N ATOM 677 CA TYR A 120 2.621 7.255 3.626 1.00 0.00 C ATOM 678 C TYR A 120 1.565 6.195 3.382 1.00 0.00 C ATOM 679 O TYR A 120 0.391 6.512 3.168 1.00 0.00 O ATOM 680 CB TYR A 120 2.363 7.939 4.961 1.00 0.00 C ATOM 681 CG TYR A 120 3.534 8.735 5.474 1.00 0.00 C ATOM 682 CD1 TYR A 120 4.502 8.135 6.264 1.00 0.00 C ATOM 683 CD2 TYR A 120 3.674 10.078 5.171 1.00 0.00 C ATOM 684 CE1 TYR A 120 5.576 8.852 6.739 1.00 0.00 C ATOM 685 CE2 TYR A 120 4.747 10.804 5.643 1.00 0.00 C ATOM 686 CZ TYR A 120 5.695 10.186 6.428 1.00 0.00 C ATOM 687 OH TYR A 120 6.772 10.905 6.901 1.00 0.00 O ATOM 0 H TYR A 120 1.713 8.653 2.365 1.00 0.00 H new ATOM 0 HA TYR A 120 3.608 6.795 3.671 1.00 0.00 H new ATOM 0 HB2 TYR A 120 1.503 8.601 4.859 1.00 0.00 H new ATOM 0 HB3 TYR A 120 2.098 7.183 5.700 1.00 0.00 H new ATOM 0 HD1 TYR A 120 4.412 7.087 6.511 1.00 0.00 H new ATOM 0 HD2 TYR A 120 2.932 10.565 4.556 1.00 0.00 H new ATOM 0 HE1 TYR A 120 6.322 8.369 7.353 1.00 0.00 H new ATOM 0 HE2 TYR A 120 4.844 11.852 5.398 1.00 0.00 H new ATOM 0 HH TYR A 120 7.544 10.310 7.000 1.00 0.00 H new ATOM 697 N ILE A 121 1.977 4.945 3.396 1.00 0.00 N ATOM 698 CA ILE A 121 1.061 3.852 3.117 1.00 0.00 C ATOM 699 C ILE A 121 1.026 2.831 4.249 1.00 0.00 C ATOM 700 O ILE A 121 1.967 2.720 5.040 1.00 0.00 O ATOM 701 CB ILE A 121 1.406 3.149 1.766 1.00 0.00 C ATOM 702 CG1 ILE A 121 2.768 2.430 1.820 1.00 0.00 C ATOM 703 CG2 ILE A 121 1.401 4.160 0.634 1.00 0.00 C ATOM 704 CD1 ILE A 121 2.687 0.980 2.267 1.00 0.00 C ATOM 0 H ILE A 121 2.935 4.658 3.596 1.00 0.00 H new ATOM 0 HA ILE A 121 0.068 4.293 3.034 1.00 0.00 H new ATOM 0 HB ILE A 121 0.640 2.394 1.587 1.00 0.00 H new ATOM 0 HG12 ILE A 121 3.227 2.469 0.832 1.00 0.00 H new ATOM 0 HG13 ILE A 121 3.426 2.972 2.499 1.00 0.00 H new ATOM 0 HG21 ILE A 121 1.643 3.658 -0.303 1.00 0.00 H new ATOM 0 HG22 ILE A 121 0.414 4.616 0.557 1.00 0.00 H new ATOM 0 HG23 ILE A 121 2.143 4.933 0.834 1.00 0.00 H new ATOM 0 HD11 ILE A 121 3.687 0.546 2.278 1.00 0.00 H new ATOM 0 HD12 ILE A 121 2.259 0.931 3.268 1.00 0.00 H new ATOM 0 HD13 ILE A 121 2.057 0.421 1.576 1.00 0.00 H new ATOM 716 N THR A 122 -0.074 2.110 4.333 1.00 0.00 N ATOM 717 CA THR A 122 -0.239 1.062 5.322 1.00 0.00 C ATOM 718 C THR A 122 -1.007 -0.111 4.708 1.00 0.00 C ATOM 719 O THR A 122 -2.123 0.061 4.234 1.00 0.00 O ATOM 720 CB THR A 122 -1.006 1.586 6.555 1.00 0.00 C ATOM 721 OG1 THR A 122 -0.358 2.764 7.063 1.00 0.00 O ATOM 722 CG2 THR A 122 -1.063 0.529 7.650 1.00 0.00 C ATOM 0 H THR A 122 -0.879 2.233 3.718 1.00 0.00 H new ATOM 0 HA THR A 122 0.750 0.732 5.640 1.00 0.00 H new ATOM 0 HB THR A 122 -2.024 1.825 6.249 1.00 0.00 H new ATOM 0 HG1 THR A 122 -0.848 3.095 7.845 1.00 0.00 H new ATOM 0 HG21 THR A 122 -1.608 0.923 8.508 1.00 0.00 H new ATOM 0 HG22 THR A 122 -1.571 -0.358 7.273 1.00 0.00 H new ATOM 0 HG23 THR A 122 -0.050 0.265 7.954 1.00 0.00 H new ATOM 730 N VAL A 123 -0.404 -1.290 4.701 1.00 0.00 N ATOM 731 CA VAL A 123 -1.044 -2.460 4.119 1.00 0.00 C ATOM 732 C VAL A 123 -1.769 -3.286 5.187 1.00 0.00 C ATOM 733 O VAL A 123 -1.156 -3.799 6.121 1.00 0.00 O ATOM 734 CB VAL A 123 -0.031 -3.346 3.327 1.00 0.00 C ATOM 735 CG1 VAL A 123 1.182 -3.703 4.174 1.00 0.00 C ATOM 736 CG2 VAL A 123 -0.708 -4.607 2.800 1.00 0.00 C ATOM 0 H VAL A 123 0.523 -1.462 5.090 1.00 0.00 H new ATOM 0 HA VAL A 123 -1.786 -2.096 3.408 1.00 0.00 H new ATOM 0 HB VAL A 123 0.319 -2.761 2.476 1.00 0.00 H new ATOM 0 HG11 VAL A 123 1.865 -4.320 3.590 1.00 0.00 H new ATOM 0 HG12 VAL A 123 1.692 -2.790 4.483 1.00 0.00 H new ATOM 0 HG13 VAL A 123 0.860 -4.255 5.057 1.00 0.00 H new ATOM 0 HG21 VAL A 123 0.018 -5.208 2.252 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -1.101 -5.186 3.636 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -1.526 -4.330 2.135 1.00 0.00 H new ATOM 746 N MET A 124 -3.076 -3.395 5.037 1.00 0.00 N ATOM 747 CA MET A 124 -3.919 -4.121 5.983 1.00 0.00 C ATOM 748 C MET A 124 -4.640 -5.264 5.270 1.00 0.00 C ATOM 749 O MET A 124 -4.921 -5.169 4.084 1.00 0.00 O ATOM 750 CB MET A 124 -4.948 -3.169 6.608 1.00 0.00 C ATOM 751 CG MET A 124 -4.357 -1.945 7.308 1.00 0.00 C ATOM 752 SD MET A 124 -3.873 -2.240 9.034 1.00 0.00 S ATOM 753 CE MET A 124 -2.379 -3.207 8.850 1.00 0.00 C ATOM 0 H MET A 124 -3.588 -2.984 4.257 1.00 0.00 H new ATOM 0 HA MET A 124 -3.289 -4.533 6.771 1.00 0.00 H new ATOM 0 HB2 MET A 124 -5.627 -2.829 5.826 1.00 0.00 H new ATOM 0 HB3 MET A 124 -5.546 -3.727 7.329 1.00 0.00 H new ATOM 0 HG2 MET A 124 -3.484 -1.607 6.750 1.00 0.00 H new ATOM 0 HG3 MET A 124 -5.087 -1.136 7.280 1.00 0.00 H new ATOM 0 HE1 MET A 124 -1.841 -3.229 9.797 1.00 0.00 H new ATOM 0 HE2 MET A 124 -2.638 -4.224 8.557 1.00 0.00 H new ATOM 0 HE3 MET A 124 -1.747 -2.758 8.084 1.00 0.00 H new ATOM 763 N PRO A 125 -4.935 -6.363 5.973 1.00 0.00 N ATOM 764 CA PRO A 125 -5.619 -7.503 5.386 1.00 0.00 C ATOM 765 C PRO A 125 -7.149 -7.441 5.531 1.00 0.00 C ATOM 766 O PRO A 125 -7.674 -6.891 6.507 1.00 0.00 O ATOM 767 CB PRO A 125 -5.059 -8.668 6.196 1.00 0.00 C ATOM 768 CG PRO A 125 -4.807 -8.097 7.562 1.00 0.00 C ATOM 769 CD PRO A 125 -4.602 -6.600 7.389 1.00 0.00 C ATOM 0 HA PRO A 125 -5.455 -7.567 4.310 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -5.765 -9.497 6.238 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -4.141 -9.053 5.752 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -5.649 -8.297 8.224 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -3.929 -8.556 8.016 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -5.249 -6.028 8.054 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -3.576 -6.308 7.613 1.00 0.00 H new ATOM 777 N CYS A 126 -7.853 -7.993 4.549 1.00 0.00 N ATOM 778 CA CYS A 126 -9.307 -8.084 4.602 1.00 0.00 C ATOM 779 C CYS A 126 -9.717 -9.399 5.244 1.00 0.00 C ATOM 780 O CYS A 126 -8.873 -10.275 5.494 1.00 0.00 O ATOM 781 CB CYS A 126 -9.932 -7.996 3.198 1.00 0.00 C ATOM 782 SG CYS A 126 -9.939 -6.332 2.445 1.00 0.00 S ATOM 0 H CYS A 126 -7.438 -8.385 3.704 1.00 0.00 H new ATOM 0 HA CYS A 126 -9.669 -7.244 5.195 1.00 0.00 H new ATOM 0 HB2 CYS A 126 -9.393 -8.673 2.536 1.00 0.00 H new ATOM 0 HB3 CYS A 126 -10.960 -8.355 3.253 1.00 0.00 H new ATOM 787 N SER A 127 -10.998 -9.548 5.495 1.00 0.00 N ATOM 788 CA SER A 127 -11.526 -10.755 6.081 1.00 0.00 C ATOM 789 C SER A 127 -11.344 -11.937 5.128 1.00 0.00 C ATOM 790 O SER A 127 -11.352 -11.772 3.903 1.00 0.00 O ATOM 791 CB SER A 127 -13.004 -10.561 6.414 1.00 0.00 C ATOM 792 OG SER A 127 -13.185 -9.448 7.277 1.00 0.00 O ATOM 0 H SER A 127 -11.701 -8.836 5.298 1.00 0.00 H new ATOM 0 HA SER A 127 -10.980 -10.971 6.999 1.00 0.00 H new ATOM 0 HB2 SER A 127 -13.572 -10.411 5.496 1.00 0.00 H new ATOM 0 HB3 SER A 127 -13.396 -11.461 6.887 1.00 0.00 H new ATOM 0 HG SER A 127 -14.138 -9.340 7.476 1.00 0.00 H new ATOM 798 N ILE A 128 -11.150 -13.111 5.683 1.00 0.00 N ATOM 799 CA ILE A 128 -10.992 -14.309 4.890 1.00 0.00 C ATOM 800 C ILE A 128 -12.286 -14.603 4.145 1.00 0.00 C ATOM 801 O ILE A 128 -13.365 -14.628 4.739 1.00 0.00 O ATOM 802 CB ILE A 128 -10.569 -15.531 5.763 1.00 0.00 C ATOM 803 CG1 ILE A 128 -9.100 -15.400 6.215 1.00 0.00 C ATOM 804 CG2 ILE A 128 -10.771 -16.842 5.009 1.00 0.00 C ATOM 805 CD1 ILE A 128 -8.826 -14.247 7.164 1.00 0.00 C ATOM 0 H ILE A 128 -11.097 -13.263 6.690 1.00 0.00 H new ATOM 0 HA ILE A 128 -10.191 -14.137 4.171 1.00 0.00 H new ATOM 0 HB ILE A 128 -11.207 -15.541 6.647 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -8.799 -16.329 6.699 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -8.472 -15.282 5.332 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -10.468 -17.676 5.642 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -11.823 -16.951 4.744 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -10.167 -16.837 4.102 1.00 0.00 H new ATOM 0 HD11 ILE A 128 -7.768 -14.235 7.426 1.00 0.00 H new ATOM 0 HD12 ILE A 128 -9.090 -13.307 6.680 1.00 0.00 H new ATOM 0 HD13 ILE A 128 -9.423 -14.370 8.068 1.00 0.00 H new ATOM 817 N GLY A 129 -12.174 -14.812 2.854 1.00 0.00 N ATOM 818 CA GLY A 129 -13.339 -15.036 2.039 1.00 0.00 C ATOM 819 C GLY A 129 -13.761 -13.789 1.296 1.00 0.00 C ATOM 820 O GLY A 129 -14.548 -13.858 0.346 1.00 0.00 O ATOM 0 H GLY A 129 -11.288 -14.831 2.349 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -13.133 -15.832 1.323 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -14.161 -15.378 2.668 1.00 0.00 H new ATOM 824 N THR A 130 -13.256 -12.639 1.726 1.00 0.00 N ATOM 825 CA THR A 130 -13.579 -11.391 1.070 1.00 0.00 C ATOM 826 C THR A 130 -12.374 -10.851 0.300 1.00 0.00 C ATOM 827 O THR A 130 -11.228 -11.226 0.571 1.00 0.00 O ATOM 828 CB THR A 130 -14.073 -10.316 2.080 1.00 0.00 C ATOM 829 OG1 THR A 130 -13.037 -9.993 3.018 1.00 0.00 O ATOM 830 CG2 THR A 130 -15.301 -10.806 2.837 1.00 0.00 C ATOM 0 H THR A 130 -12.625 -12.551 2.522 1.00 0.00 H new ATOM 0 HA THR A 130 -14.388 -11.603 0.371 1.00 0.00 H new ATOM 0 HB THR A 130 -14.338 -9.424 1.512 1.00 0.00 H new ATOM 0 HG1 THR A 130 -12.664 -10.819 3.391 1.00 0.00 H new ATOM 0 HG21 THR A 130 -15.628 -10.037 3.537 1.00 0.00 H new ATOM 0 HG22 THR A 130 -16.103 -11.018 2.130 1.00 0.00 H new ATOM 0 HG23 THR A 130 -15.052 -11.714 3.386 1.00 0.00 H new ATOM 838 N LYS A 131 -12.642 -9.983 -0.653 1.00 0.00 N ATOM 839 CA LYS A 131 -11.612 -9.357 -1.457 1.00 0.00 C ATOM 840 C LYS A 131 -11.825 -7.850 -1.441 1.00 0.00 C ATOM 841 O LYS A 131 -12.966 -7.387 -1.412 1.00 0.00 O ATOM 842 CB LYS A 131 -11.670 -9.881 -2.898 1.00 0.00 C ATOM 843 CG LYS A 131 -12.969 -9.547 -3.621 1.00 0.00 C ATOM 844 CD LYS A 131 -12.973 -10.082 -5.038 1.00 0.00 C ATOM 845 CE LYS A 131 -14.206 -9.626 -5.792 1.00 0.00 C ATOM 846 NZ LYS A 131 -14.169 -10.041 -7.217 1.00 0.00 N ATOM 0 H LYS A 131 -13.589 -9.689 -0.894 1.00 0.00 H new ATOM 0 HA LYS A 131 -10.632 -9.596 -1.045 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -10.834 -9.464 -3.460 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -11.539 -10.963 -2.887 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -13.811 -9.967 -3.071 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -13.108 -8.466 -3.639 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -12.078 -9.743 -5.560 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -12.937 -11.171 -5.018 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -15.096 -10.039 -5.317 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -14.287 -8.541 -5.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -15.030 -9.710 -7.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -13.334 -9.626 -7.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -14.117 -11.078 -7.275 1.00 0.00 H new ATOM 860 N PHE A 132 -10.756 -7.086 -1.429 1.00 0.00 N ATOM 861 CA PHE A 132 -10.889 -5.642 -1.399 1.00 0.00 C ATOM 862 C PHE A 132 -11.172 -5.083 -2.787 1.00 0.00 C ATOM 863 O PHE A 132 -10.570 -5.505 -3.776 1.00 0.00 O ATOM 864 CB PHE A 132 -9.639 -4.994 -0.813 1.00 0.00 C ATOM 865 CG PHE A 132 -9.836 -3.553 -0.439 1.00 0.00 C ATOM 866 CD1 PHE A 132 -10.315 -3.212 0.811 1.00 0.00 C ATOM 867 CD2 PHE A 132 -9.546 -2.544 -1.336 1.00 0.00 C ATOM 868 CE1 PHE A 132 -10.499 -1.892 1.159 1.00 0.00 C ATOM 869 CE2 PHE A 132 -9.727 -1.223 -0.994 1.00 0.00 C ATOM 870 CZ PHE A 132 -10.205 -0.896 0.255 1.00 0.00 C ATOM 0 H PHE A 132 -9.796 -7.431 -1.439 1.00 0.00 H new ATOM 0 HA PHE A 132 -11.738 -5.404 -0.758 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -9.329 -5.552 0.070 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -8.827 -5.066 -1.537 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -10.548 -3.989 1.524 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -9.173 -2.794 -2.318 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -10.873 -1.639 2.140 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -9.494 -0.444 -1.705 1.00 0.00 H new ATOM 0 HZ PHE A 132 -10.349 0.140 0.525 1.00 0.00 H new ATOM 880 N ASP A 133 -12.096 -4.143 -2.853 1.00 0.00 N ATOM 881 CA ASP A 133 -12.445 -3.497 -4.108 1.00 0.00 C ATOM 882 C ASP A 133 -11.928 -2.065 -4.121 1.00 0.00 C ATOM 883 O ASP A 133 -12.197 -1.296 -3.199 1.00 0.00 O ATOM 884 CB ASP A 133 -13.960 -3.516 -4.322 1.00 0.00 C ATOM 885 CG ASP A 133 -14.365 -2.905 -5.648 1.00 0.00 C ATOM 886 OD1 ASP A 133 -14.224 -3.580 -6.685 1.00 0.00 O ATOM 887 OD2 ASP A 133 -14.834 -1.754 -5.653 1.00 0.00 O ATOM 0 H ASP A 133 -12.623 -3.807 -2.047 1.00 0.00 H new ATOM 0 HA ASP A 133 -11.977 -4.049 -4.923 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -14.318 -4.545 -4.275 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -14.445 -2.972 -3.511 1.00 0.00 H new ATOM 892 N PRO A 134 -11.174 -1.693 -5.168 1.00 0.00 N ATOM 893 CA PRO A 134 -10.558 -0.361 -5.278 1.00 0.00 C ATOM 894 C PRO A 134 -11.575 0.773 -5.420 1.00 0.00 C ATOM 895 O PRO A 134 -11.375 1.864 -4.890 1.00 0.00 O ATOM 896 CB PRO A 134 -9.701 -0.459 -6.548 1.00 0.00 C ATOM 897 CG PRO A 134 -10.282 -1.590 -7.327 1.00 0.00 C ATOM 898 CD PRO A 134 -10.861 -2.547 -6.328 1.00 0.00 C ATOM 0 HA PRO A 134 -9.997 -0.118 -4.375 1.00 0.00 H new ATOM 0 HB2 PRO A 134 -9.734 0.470 -7.118 1.00 0.00 H new ATOM 0 HB3 PRO A 134 -8.655 -0.646 -6.304 1.00 0.00 H new ATOM 0 HG2 PRO A 134 -11.051 -1.233 -8.012 1.00 0.00 H new ATOM 0 HG3 PRO A 134 -9.517 -2.077 -7.932 1.00 0.00 H new ATOM 0 HD2 PRO A 134 -11.753 -3.039 -6.715 1.00 0.00 H new ATOM 0 HD3 PRO A 134 -10.151 -3.332 -6.067 1.00 0.00 H new ATOM 906 N ILE A 135 -12.651 0.514 -6.142 1.00 0.00 N ATOM 907 CA ILE A 135 -13.667 1.525 -6.387 1.00 0.00 C ATOM 908 C ILE A 135 -14.561 1.724 -5.161 1.00 0.00 C ATOM 909 O ILE A 135 -14.781 2.856 -4.719 1.00 0.00 O ATOM 910 CB ILE A 135 -14.525 1.184 -7.649 1.00 0.00 C ATOM 911 CG1 ILE A 135 -13.730 1.449 -8.944 1.00 0.00 C ATOM 912 CG2 ILE A 135 -15.829 1.979 -7.665 1.00 0.00 C ATOM 913 CD1 ILE A 135 -12.500 0.580 -9.131 1.00 0.00 C ATOM 0 H ILE A 135 -12.845 -0.391 -6.571 1.00 0.00 H new ATOM 0 HA ILE A 135 -13.147 2.463 -6.582 1.00 0.00 H new ATOM 0 HB ILE A 135 -14.770 0.123 -7.599 1.00 0.00 H new ATOM 0 HG12 ILE A 135 -14.393 1.302 -9.796 1.00 0.00 H new ATOM 0 HG13 ILE A 135 -13.423 2.495 -8.956 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -16.403 1.719 -8.555 1.00 0.00 H new ATOM 0 HG22 ILE A 135 -16.412 1.740 -6.775 1.00 0.00 H new ATOM 0 HG23 ILE A 135 -15.605 3.046 -7.676 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -12.009 0.841 -10.069 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -11.810 0.743 -8.303 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -12.796 -0.469 -9.156 1.00 0.00 H new ATOM 925 N SER A 136 -15.072 0.634 -4.619 1.00 0.00 N ATOM 926 CA SER A 136 -15.915 0.692 -3.440 1.00 0.00 C ATOM 927 C SER A 136 -15.100 1.133 -2.224 1.00 0.00 C ATOM 928 O SER A 136 -15.607 1.839 -1.347 1.00 0.00 O ATOM 929 CB SER A 136 -16.546 -0.675 -3.183 1.00 0.00 C ATOM 930 OG SER A 136 -17.145 -1.193 -4.364 1.00 0.00 O ATOM 0 H SER A 136 -14.916 -0.307 -4.979 1.00 0.00 H new ATOM 0 HA SER A 136 -16.706 1.422 -3.610 1.00 0.00 H new ATOM 0 HB2 SER A 136 -15.786 -1.368 -2.823 1.00 0.00 H new ATOM 0 HB3 SER A 136 -17.297 -0.590 -2.398 1.00 0.00 H new ATOM 0 HG SER A 136 -16.448 -1.539 -4.960 1.00 0.00 H new ATOM 936 N ARG A 137 -13.837 0.692 -2.181 1.00 0.00 N ATOM 937 CA ARG A 137 -12.903 1.039 -1.109 1.00 0.00 C ATOM 938 C ARG A 137 -13.273 0.344 0.188 1.00 0.00 C ATOM 939 O ARG A 137 -13.282 0.951 1.263 1.00 0.00 O ATOM 940 CB ARG A 137 -12.791 2.556 -0.924 1.00 0.00 C ATOM 941 CG ARG A 137 -12.141 3.254 -2.099 1.00 0.00 C ATOM 942 CD ARG A 137 -12.179 4.758 -1.952 1.00 0.00 C ATOM 943 NE ARG A 137 -11.537 5.422 -3.085 1.00 0.00 N ATOM 944 CZ ARG A 137 -12.178 6.176 -3.980 1.00 0.00 C ATOM 945 NH1 ARG A 137 -13.491 6.364 -3.881 1.00 0.00 N ATOM 946 NH2 ARG A 137 -11.508 6.742 -4.976 1.00 0.00 N ATOM 0 H ARG A 137 -13.435 0.082 -2.893 1.00 0.00 H new ATOM 0 HA ARG A 137 -11.917 0.680 -1.405 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -13.787 2.971 -0.769 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -12.215 2.764 -0.022 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -11.106 2.924 -2.190 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -12.650 2.966 -3.019 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -13.214 5.091 -1.872 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -11.679 5.047 -1.028 1.00 0.00 H new ATOM 0 HE ARG A 137 -10.531 5.301 -3.199 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -14.012 5.931 -3.119 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -13.977 6.941 -4.567 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -10.501 6.601 -5.058 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -12.000 7.318 -5.659 1.00 0.00 H new ATOM 960 N ASN A 138 -13.556 -0.941 0.073 1.00 0.00 N ATOM 961 CA ASN A 138 -13.885 -1.793 1.198 1.00 0.00 C ATOM 962 C ASN A 138 -13.717 -3.240 0.767 1.00 0.00 C ATOM 963 O ASN A 138 -13.401 -3.506 -0.400 1.00 0.00 O ATOM 964 CB ASN A 138 -15.318 -1.539 1.711 1.00 0.00 C ATOM 965 CG ASN A 138 -16.402 -1.845 0.689 1.00 0.00 C ATOM 966 OD1 ASN A 138 -16.817 -2.991 0.528 1.00 0.00 O ATOM 967 ND2 ASN A 138 -16.894 -0.819 0.026 1.00 0.00 N ATOM 0 H ASN A 138 -13.563 -1.429 -0.822 1.00 0.00 H new ATOM 0 HA ASN A 138 -13.213 -1.566 2.025 1.00 0.00 H new ATOM 0 HB2 ASN A 138 -15.488 -2.147 2.600 1.00 0.00 H new ATOM 0 HB3 ASN A 138 -15.404 -0.496 2.017 1.00 0.00 H new ATOM 0 HD21 ASN A 138 -17.646 -0.961 -0.649 1.00 0.00 H new ATOM 0 HD22 ASN A 138 -16.523 0.117 0.187 1.00 0.00 H new ATOM 974 N CYS A 139 -13.928 -4.165 1.674 1.00 0.00 N ATOM 975 CA CYS A 139 -13.766 -5.566 1.350 1.00 0.00 C ATOM 976 C CYS A 139 -15.135 -6.189 1.095 1.00 0.00 C ATOM 977 O CYS A 139 -16.038 -6.098 1.931 1.00 0.00 O ATOM 978 CB CYS A 139 -13.038 -6.313 2.490 1.00 0.00 C ATOM 979 SG CYS A 139 -11.601 -5.415 3.209 1.00 0.00 S ATOM 0 H CYS A 139 -14.210 -3.977 2.636 1.00 0.00 H new ATOM 0 HA CYS A 139 -13.157 -5.652 0.450 1.00 0.00 H new ATOM 0 HB2 CYS A 139 -13.754 -6.519 3.285 1.00 0.00 H new ATOM 0 HB3 CYS A 139 -12.694 -7.276 2.113 1.00 0.00 H new ATOM 984 N VAL A 140 -15.284 -6.804 -0.063 1.00 0.00 N ATOM 985 CA VAL A 140 -16.544 -7.409 -0.458 1.00 0.00 C ATOM 986 C VAL A 140 -16.405 -8.922 -0.504 1.00 0.00 C ATOM 987 O VAL A 140 -15.294 -9.443 -0.535 1.00 0.00 O ATOM 988 CB VAL A 140 -17.014 -6.890 -1.845 1.00 0.00 C ATOM 989 CG1 VAL A 140 -17.177 -5.378 -1.824 1.00 0.00 C ATOM 990 CG2 VAL A 140 -16.043 -7.306 -2.945 1.00 0.00 C ATOM 0 H VAL A 140 -14.540 -6.899 -0.754 1.00 0.00 H new ATOM 0 HA VAL A 140 -17.292 -7.130 0.284 1.00 0.00 H new ATOM 0 HB VAL A 140 -17.983 -7.341 -2.061 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -17.507 -5.034 -2.804 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -17.919 -5.102 -1.074 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -16.223 -4.913 -1.578 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -16.397 -6.929 -3.905 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -15.056 -6.893 -2.735 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -15.981 -8.394 -2.983 1.00 0.00 H new ATOM 1000 N LEU A 141 -17.520 -9.622 -0.515 1.00 0.00 N ATOM 1001 CA LEU A 141 -17.500 -11.072 -0.542 1.00 0.00 C ATOM 1002 C LEU A 141 -17.017 -11.550 -1.905 1.00 0.00 C ATOM 1003 O LEU A 141 -17.547 -11.143 -2.943 1.00 0.00 O ATOM 1004 CB LEU A 141 -18.908 -11.631 -0.225 1.00 0.00 C ATOM 1005 CG LEU A 141 -18.995 -13.100 0.256 1.00 0.00 C ATOM 1006 CD1 LEU A 141 -18.735 -14.080 -0.878 1.00 0.00 C ATOM 1007 CD2 LEU A 141 -18.032 -13.349 1.409 1.00 0.00 C ATOM 0 H LEU A 141 -18.453 -9.211 -0.506 1.00 0.00 H new ATOM 0 HA LEU A 141 -16.812 -11.440 0.219 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -19.358 -10.998 0.540 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -19.520 -11.532 -1.121 1.00 0.00 H new ATOM 0 HG LEU A 141 -20.012 -13.267 0.610 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -18.805 -15.100 -0.500 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -19.476 -13.932 -1.664 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -17.738 -13.911 -1.284 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -18.110 -14.388 1.731 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -17.012 -13.146 1.082 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -18.283 -12.691 2.241 1.00 0.00 H new ATOM 1019 N ASP A 142 -16.016 -12.406 -1.899 1.00 0.00 N ATOM 1020 CA ASP A 142 -15.462 -12.919 -3.132 1.00 0.00 C ATOM 1021 C ASP A 142 -16.097 -14.235 -3.480 1.00 0.00 C ATOM 1022 O ASP A 142 -15.760 -15.271 -2.902 1.00 0.00 O ATOM 1023 CB ASP A 142 -13.950 -13.093 -3.044 1.00 0.00 C ATOM 1024 CG ASP A 142 -13.392 -13.793 -4.272 1.00 0.00 C ATOM 1025 OD1 ASP A 142 -13.388 -13.183 -5.359 1.00 0.00 O ATOM 1026 OD2 ASP A 142 -12.967 -14.960 -4.157 1.00 0.00 O ATOM 0 H ASP A 142 -15.570 -12.760 -1.053 1.00 0.00 H new ATOM 0 HA ASP A 142 -15.676 -12.189 -3.912 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -13.477 -12.117 -2.935 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -13.701 -13.669 -2.153 1.00 0.00 H new ATOM 1031 N ASN A 143 -17.034 -14.207 -4.384 1.00 0.00 N ATOM 1032 CA ASN A 143 -17.681 -15.412 -4.828 1.00 0.00 C ATOM 1033 C ASN A 143 -17.438 -15.585 -6.313 1.00 0.00 C ATOM 1034 O ASN A 143 -18.199 -15.008 -7.115 1.00 0.00 O ATOM 1035 CB ASN A 143 -19.182 -15.357 -4.523 1.00 0.00 C ATOM 1036 CG ASN A 143 -19.936 -16.574 -5.027 1.00 0.00 C ATOM 1037 OD1 ASN A 143 -19.389 -17.672 -5.114 1.00 0.00 O ATOM 1038 ND2 ASN A 143 -21.198 -16.385 -5.346 1.00 0.00 N ATOM 1039 OXT ASN A 143 -16.451 -16.257 -6.671 1.00 0.00 O ATOM 0 H ASN A 143 -17.371 -13.355 -4.833 1.00 0.00 H new ATOM 0 HA ASN A 143 -17.265 -16.268 -4.296 1.00 0.00 H new ATOM 0 HB2 ASN A 143 -19.325 -15.268 -3.446 1.00 0.00 H new ATOM 0 HB3 ASN A 143 -19.606 -14.461 -4.976 1.00 0.00 H new ATOM 0 HD21 ASN A 143 -21.762 -17.166 -5.680 1.00 0.00 H new ATOM 0 HD22 ASN A 143 -21.613 -15.457 -5.259 1.00 0.00 H new TER 1046 ASN A 143