USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 443 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 109 SER OG : rot -16:sc= -1.35 USER MOD Set 1.2: A 131 MET CE :methyl -166:sc= -3.03! (180deg=-1.61) USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 85 GLN : amide:sc= -0.134 X(o=-0.13,f=-0.064) USER MOD Single : A 86 LYS NZ :NH3+ 166:sc= -0.0368 (180deg=-0.244) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 CYS SG : rot 170:sc= -0.263 USER MOD Single : A 96 HIS :FLIP no HD1:sc= -0.812 F(o=-1.8,f=-0.81) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -165:sc= -0.0283 (180deg=-0.349) USER MOD Single : A 104 CYS SG : rot 35:sc= 0.169 USER MOD Single : A 106 HIS :FLIP no HE2:sc= -1.38 F(o=-5.6!,f=-1.4) USER MOD Single : A 107 ASN :FLIP amide:sc= -0.582 F(o=-2.5,f=-0.58) USER MOD Single : A 108 CYS SG : rot 159:sc= 0.0991 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= -0.0597 K(o=-0.06,f=-0.69) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ -169:sc= 0.78 (180deg=0.718) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot -16:sc= 0.788 USER MOD Single : A 128 ASN : amide:sc= -0.72 X(o=-0.72,f=-0.25) USER MOD Single : A 129 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0616) USER MOD Single : A 135 ASN : amide:sc= -0.613 X(o=-0.61,f=-0.65) USER MOD Single : A 139 LYS NZ :NH3+ -166:sc=-0.00771 (180deg=-0.204) USER MOD Single : A 140 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 141 GLN : amide:sc= -1.22 K(o=-1.2,f=-5.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 83 -26.266 8.624 2.796 1.00 0.00 N ATOM 2 CA GLN A 83 -26.689 8.210 1.432 1.00 0.00 C ATOM 3 C GLN A 83 -25.550 8.379 0.432 1.00 0.00 C ATOM 4 O GLN A 83 -25.537 9.324 -0.356 1.00 0.00 O ATOM 5 CB GLN A 83 -27.898 9.033 0.983 1.00 0.00 C ATOM 6 CG GLN A 83 -29.135 8.818 1.840 1.00 0.00 C ATOM 7 CD GLN A 83 -30.316 9.646 1.378 1.00 0.00 C ATOM 8 OE1 GLN A 83 -30.148 10.739 0.835 1.00 0.00 O ATOM 9 NE2 GLN A 83 -31.521 9.129 1.589 1.00 0.00 N ATOM 0 HA GLN A 83 -26.963 7.156 1.468 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -27.634 10.090 1.001 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -28.135 8.781 -0.051 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -29.407 7.763 1.821 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -28.903 9.069 2.875 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -31.614 8.220 2.042 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -32.354 9.641 1.298 1.00 0.00 H new ATOM 18 N GLU A 84 -24.596 7.453 0.470 1.00 0.00 N ATOM 19 CA GLU A 84 -23.452 7.494 -0.434 1.00 0.00 C ATOM 20 C GLU A 84 -23.835 6.974 -1.818 1.00 0.00 C ATOM 21 O GLU A 84 -23.746 7.698 -2.809 1.00 0.00 O ATOM 22 CB GLU A 84 -22.298 6.667 0.135 1.00 0.00 C ATOM 23 CG GLU A 84 -21.817 7.147 1.495 1.00 0.00 C ATOM 24 CD GLU A 84 -21.301 8.572 1.460 1.00 0.00 C ATOM 25 OE1 GLU A 84 -22.116 9.503 1.627 1.00 0.00 O ATOM 26 OE2 GLU A 84 -20.081 8.757 1.264 1.00 0.00 O ATOM 0 H GLU A 84 -24.593 6.665 1.118 1.00 0.00 H new ATOM 0 HA GLU A 84 -23.132 8.531 -0.532 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -22.613 5.627 0.217 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -21.464 6.693 -0.566 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -22.636 7.078 2.211 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -21.026 6.487 1.851 1.00 0.00 H new ATOM 33 N GLN A 85 -24.263 5.717 -1.877 1.00 0.00 N ATOM 34 CA GLN A 85 -24.660 5.102 -3.138 1.00 0.00 C ATOM 35 C GLN A 85 -23.489 5.053 -4.114 1.00 0.00 C ATOM 36 O GLN A 85 -22.895 6.081 -4.439 1.00 0.00 O ATOM 37 CB GLN A 85 -25.825 5.874 -3.761 1.00 0.00 C ATOM 38 CG GLN A 85 -27.041 5.973 -2.855 1.00 0.00 C ATOM 39 CD GLN A 85 -27.597 4.615 -2.473 1.00 0.00 C ATOM 40 OE1 GLN A 85 -28.454 4.066 -3.165 1.00 0.00 O ATOM 41 NE2 GLN A 85 -27.109 4.065 -1.367 1.00 0.00 N ATOM 0 H GLN A 85 -24.344 5.104 -1.066 1.00 0.00 H new ATOM 0 HA GLN A 85 -24.978 4.081 -2.930 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -25.489 6.879 -4.016 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -26.115 5.389 -4.693 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -26.772 6.519 -1.951 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -27.817 6.551 -3.357 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -26.399 4.556 -0.824 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -27.444 3.152 -1.061 1.00 0.00 H new ATOM 50 N LYS A 86 -23.164 3.851 -4.578 1.00 0.00 N ATOM 51 CA LYS A 86 -22.064 3.666 -5.519 1.00 0.00 C ATOM 52 C LYS A 86 -20.766 4.240 -4.960 1.00 0.00 C ATOM 53 O LYS A 86 -20.263 5.253 -5.447 1.00 0.00 O ATOM 54 CB LYS A 86 -22.394 4.326 -6.857 1.00 0.00 C ATOM 55 CG LYS A 86 -23.620 3.740 -7.539 1.00 0.00 C ATOM 56 CD LYS A 86 -23.435 2.261 -7.840 1.00 0.00 C ATOM 57 CE LYS A 86 -24.662 1.672 -8.517 1.00 0.00 C ATOM 58 NZ LYS A 86 -24.945 2.329 -9.822 1.00 0.00 N ATOM 0 H LYS A 86 -23.646 2.990 -4.318 1.00 0.00 H new ATOM 0 HA LYS A 86 -21.928 2.596 -5.674 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -22.552 5.393 -6.697 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -21.536 4.227 -7.523 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -24.493 3.876 -6.901 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -23.815 4.280 -8.466 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -22.564 2.125 -8.481 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -23.236 1.722 -6.914 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -24.513 0.604 -8.673 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -25.526 1.781 -7.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -25.629 1.757 -10.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -25.341 3.276 -9.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -24.063 2.414 -10.366 1.00 0.00 H new ATOM 72 N GLY A 87 -20.227 3.586 -3.936 1.00 0.00 N ATOM 73 CA GLY A 87 -18.993 4.045 -3.326 1.00 0.00 C ATOM 74 C GLY A 87 -18.164 2.906 -2.769 1.00 0.00 C ATOM 75 O GLY A 87 -18.194 2.635 -1.568 1.00 0.00 O ATOM 0 H GLY A 87 -20.624 2.745 -3.517 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -18.406 4.590 -4.066 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -19.226 4.746 -2.525 1.00 0.00 H new ATOM 79 N ASP A 88 -17.421 2.234 -3.644 1.00 0.00 N ATOM 80 CA ASP A 88 -16.580 1.115 -3.234 1.00 0.00 C ATOM 81 C ASP A 88 -15.569 1.548 -2.175 1.00 0.00 C ATOM 82 O ASP A 88 -14.813 2.498 -2.372 1.00 0.00 O ATOM 83 CB ASP A 88 -15.849 0.531 -4.445 1.00 0.00 C ATOM 84 CG ASP A 88 -16.805 -0.019 -5.487 1.00 0.00 C ATOM 85 OD1 ASP A 88 -17.283 -1.159 -5.309 1.00 0.00 O ATOM 86 OD2 ASP A 88 -17.075 0.690 -6.479 1.00 0.00 O ATOM 0 H ASP A 88 -17.385 2.445 -4.641 1.00 0.00 H new ATOM 0 HA ASP A 88 -17.224 0.350 -2.801 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -15.227 1.303 -4.898 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -15.180 -0.263 -4.114 1.00 0.00 H new ATOM 91 N ALA A 89 -15.567 0.839 -1.050 1.00 0.00 N ATOM 92 CA ALA A 89 -14.653 1.140 0.047 1.00 0.00 C ATOM 93 C ALA A 89 -13.218 0.775 -0.326 1.00 0.00 C ATOM 94 O ALA A 89 -12.977 0.185 -1.379 1.00 0.00 O ATOM 95 CB ALA A 89 -15.089 0.393 1.300 1.00 0.00 C ATOM 0 H ALA A 89 -16.190 0.050 -0.874 1.00 0.00 H new ATOM 0 HA ALA A 89 -14.684 2.211 0.245 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -14.404 0.621 2.116 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -16.097 0.702 1.576 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -15.079 -0.680 1.106 1.00 0.00 H new ATOM 101 N PRO A 90 -12.244 1.122 0.534 1.00 0.00 N ATOM 102 CA PRO A 90 -10.834 0.834 0.300 1.00 0.00 C ATOM 103 C PRO A 90 -10.490 -0.583 0.731 1.00 0.00 C ATOM 104 O PRO A 90 -10.793 -0.978 1.853 1.00 0.00 O ATOM 105 CB PRO A 90 -10.104 1.858 1.186 1.00 0.00 C ATOM 106 CG PRO A 90 -11.176 2.635 1.894 1.00 0.00 C ATOM 107 CD PRO A 90 -12.424 1.806 1.812 1.00 0.00 C ATOM 0 HA PRO A 90 -10.559 0.905 -0.752 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -9.449 1.359 1.900 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -9.477 2.517 0.585 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.900 2.820 2.932 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -11.324 3.608 1.425 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -12.505 1.105 2.643 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -13.324 2.420 1.824 1.00 0.00 H new ATOM 115 N THR A 91 -9.853 -1.345 -0.150 1.00 0.00 N ATOM 116 CA THR A 91 -9.509 -2.726 0.169 1.00 0.00 C ATOM 117 C THR A 91 -8.114 -3.110 -0.303 1.00 0.00 C ATOM 118 O THR A 91 -7.623 -2.623 -1.321 1.00 0.00 O ATOM 119 CB THR A 91 -10.523 -3.714 -0.432 1.00 0.00 C ATOM 120 OG1 THR A 91 -10.893 -3.300 -1.753 1.00 0.00 O ATOM 121 CG2 THR A 91 -11.760 -3.814 0.444 1.00 0.00 C ATOM 0 H THR A 91 -9.567 -1.036 -1.079 1.00 0.00 H new ATOM 0 HA THR A 91 -9.534 -2.788 1.257 1.00 0.00 H new ATOM 0 HB THR A 91 -10.054 -4.697 -0.484 1.00 0.00 H new ATOM 0 HG1 THR A 91 -11.537 -3.937 -2.127 1.00 0.00 H new ATOM 0 HG21 THR A 91 -12.464 -4.518 0.000 1.00 0.00 H new ATOM 0 HG22 THR A 91 -11.476 -4.162 1.437 1.00 0.00 H new ATOM 0 HG23 THR A 91 -12.229 -2.833 0.524 1.00 0.00 H new ATOM 129 N CYS A 92 -7.489 -3.996 0.462 1.00 0.00 N ATOM 130 CA CYS A 92 -6.159 -4.498 0.158 1.00 0.00 C ATOM 131 C CYS A 92 -6.188 -5.378 -1.092 1.00 0.00 C ATOM 132 O CYS A 92 -7.063 -6.233 -1.237 1.00 0.00 O ATOM 133 CB CYS A 92 -5.649 -5.292 1.359 1.00 0.00 C ATOM 134 SG CYS A 92 -4.047 -6.087 1.127 1.00 0.00 S ATOM 0 H CYS A 92 -7.893 -4.387 1.313 1.00 0.00 H new ATOM 0 HA CYS A 92 -5.490 -3.661 -0.040 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -5.584 -4.622 2.216 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -6.384 -6.057 1.608 1.00 0.00 H new ATOM 0 HG CYS A 92 -3.621 -6.546 2.266 1.00 0.00 H new ATOM 139 N GLY A 93 -5.218 -5.179 -1.983 1.00 0.00 N ATOM 140 CA GLY A 93 -5.164 -5.951 -3.216 1.00 0.00 C ATOM 141 C GLY A 93 -4.445 -7.283 -3.069 1.00 0.00 C ATOM 142 O GLY A 93 -4.005 -7.868 -4.058 1.00 0.00 O ATOM 0 H GLY A 93 -4.468 -4.497 -1.873 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -6.180 -6.133 -3.566 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.664 -5.360 -3.983 1.00 0.00 H new ATOM 146 N ILE A 94 -4.324 -7.760 -1.837 1.00 0.00 N ATOM 147 CA ILE A 94 -3.663 -9.028 -1.562 1.00 0.00 C ATOM 148 C ILE A 94 -4.602 -9.964 -0.807 1.00 0.00 C ATOM 149 O ILE A 94 -5.036 -10.986 -1.338 1.00 0.00 O ATOM 150 CB ILE A 94 -2.374 -8.815 -0.742 1.00 0.00 C ATOM 151 CG1 ILE A 94 -1.384 -7.964 -1.529 1.00 0.00 C ATOM 152 CG2 ILE A 94 -1.739 -10.146 -0.369 1.00 0.00 C ATOM 153 CD1 ILE A 94 -1.642 -6.477 -1.430 1.00 0.00 C ATOM 0 H ILE A 94 -4.678 -7.284 -1.007 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.396 -9.479 -2.518 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.639 -8.294 0.178 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.376 -8.173 -1.172 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.418 -8.260 -2.577 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.832 -9.967 0.209 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.440 -10.729 0.228 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.489 -10.697 -1.276 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.897 -5.939 -2.016 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.637 -6.254 -1.815 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -1.578 -6.165 -0.387 1.00 0.00 H new ATOM 165 N CYS A 95 -4.911 -9.607 0.435 1.00 0.00 N ATOM 166 CA CYS A 95 -5.811 -10.411 1.253 1.00 0.00 C ATOM 167 C CYS A 95 -7.266 -9.986 1.043 1.00 0.00 C ATOM 168 O CYS A 95 -8.191 -10.739 1.348 1.00 0.00 O ATOM 169 CB CYS A 95 -5.427 -10.337 2.739 1.00 0.00 C ATOM 170 SG CYS A 95 -5.002 -8.671 3.344 1.00 0.00 S ATOM 0 H CYS A 95 -4.553 -8.770 0.895 1.00 0.00 H new ATOM 0 HA CYS A 95 -5.712 -11.449 0.935 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -6.256 -10.722 3.332 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -4.577 -10.998 2.912 1.00 0.00 H new ATOM 175 N HIS A 96 -7.459 -8.773 0.520 1.00 0.00 N ATOM 176 CA HIS A 96 -8.794 -8.253 0.240 1.00 0.00 C ATOM 177 C HIS A 96 -9.684 -8.260 1.481 1.00 0.00 C ATOM 178 O HIS A 96 -10.880 -8.535 1.388 1.00 0.00 O ATOM 179 CB HIS A 96 -9.450 -9.072 -0.872 1.00 0.00 C ATOM 180 CG HIS A 96 -10.712 -8.463 -1.402 1.00 0.00 C ATOM 181 ND1 HIS A 96 -11.392 -7.356 -1.018 1.00 0.00 N flip ATOM 182 CD2 HIS A 96 -11.420 -8.998 -2.459 1.00 0.00 C flip ATOM 183 CE1 HIS A 96 -12.483 -7.244 -1.843 1.00 0.00 C flip ATOM 184 NE2 HIS A 96 -12.478 -8.244 -2.703 1.00 0.00 N flip ATOM 0 H HIS A 96 -6.702 -8.132 0.282 1.00 0.00 H new ATOM 0 HA HIS A 96 -8.682 -7.217 -0.080 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -8.741 -9.189 -1.692 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -9.669 -10.071 -0.495 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -11.152 -9.892 -3.002 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -13.227 -6.462 -1.796 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -13.172 -8.408 -3.432 1.00 0.00 H new ATOM 193 N LYS A 97 -9.106 -7.954 2.636 1.00 0.00 N ATOM 194 CA LYS A 97 -9.873 -7.923 3.878 1.00 0.00 C ATOM 195 C LYS A 97 -9.705 -6.588 4.594 1.00 0.00 C ATOM 196 O LYS A 97 -10.686 -5.915 4.910 1.00 0.00 O ATOM 197 CB LYS A 97 -9.463 -9.074 4.802 1.00 0.00 C ATOM 198 CG LYS A 97 -7.972 -9.150 5.079 1.00 0.00 C ATOM 199 CD LYS A 97 -7.607 -10.432 5.809 1.00 0.00 C ATOM 200 CE LYS A 97 -6.146 -10.438 6.225 1.00 0.00 C ATOM 201 NZ LYS A 97 -5.797 -11.654 7.011 1.00 0.00 N ATOM 0 H LYS A 97 -8.117 -7.725 2.740 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.925 -8.043 3.619 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -9.992 -8.970 5.749 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -9.787 -10.015 4.357 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -7.423 -9.096 4.139 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.667 -8.290 5.676 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -8.238 -10.542 6.691 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -7.807 -11.288 5.165 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -5.516 -10.386 5.337 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -5.934 -9.549 6.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.792 -11.620 7.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -6.380 -11.691 7.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.975 -12.502 6.436 1.00 0.00 H new ATOM 215 N THR A 98 -8.459 -6.211 4.845 1.00 0.00 N ATOM 216 CA THR A 98 -8.154 -4.960 5.526 1.00 0.00 C ATOM 217 C THR A 98 -8.614 -3.759 4.700 1.00 0.00 C ATOM 218 O THR A 98 -8.148 -3.555 3.579 1.00 0.00 O ATOM 219 CB THR A 98 -6.640 -4.846 5.808 1.00 0.00 C ATOM 220 OG1 THR A 98 -6.229 -5.884 6.705 1.00 0.00 O ATOM 221 CG2 THR A 98 -6.285 -3.490 6.402 1.00 0.00 C ATOM 0 H THR A 98 -7.638 -6.758 4.585 1.00 0.00 H new ATOM 0 HA THR A 98 -8.693 -4.961 6.473 1.00 0.00 H new ATOM 0 HB THR A 98 -6.116 -4.951 4.858 1.00 0.00 H new ATOM 0 HG1 THR A 98 -5.267 -5.806 6.877 1.00 0.00 H new ATOM 0 HG21 THR A 98 -5.212 -3.444 6.588 1.00 0.00 H new ATOM 0 HG22 THR A 98 -6.566 -2.702 5.704 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.822 -3.352 7.340 1.00 0.00 H new ATOM 229 N LYS A 99 -9.528 -2.968 5.257 1.00 0.00 N ATOM 230 CA LYS A 99 -10.029 -1.791 4.566 1.00 0.00 C ATOM 231 C LYS A 99 -9.286 -0.548 5.034 1.00 0.00 C ATOM 232 O LYS A 99 -9.251 -0.245 6.227 1.00 0.00 O ATOM 233 CB LYS A 99 -11.532 -1.619 4.798 1.00 0.00 C ATOM 234 CG LYS A 99 -12.354 -2.839 4.424 1.00 0.00 C ATOM 235 CD LYS A 99 -12.495 -3.799 5.593 1.00 0.00 C ATOM 236 CE LYS A 99 -13.363 -4.992 5.230 1.00 0.00 C ATOM 237 NZ LYS A 99 -14.737 -4.577 4.834 1.00 0.00 N ATOM 0 H LYS A 99 -9.933 -3.123 6.180 1.00 0.00 H new ATOM 0 HA LYS A 99 -9.858 -1.928 3.498 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -11.703 -1.385 5.849 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -11.884 -0.764 4.220 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -13.343 -2.524 4.090 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.883 -3.352 3.586 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -11.509 -4.145 5.902 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -12.930 -3.276 6.445 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -12.900 -5.543 4.411 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -13.420 -5.672 6.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -15.365 -5.406 4.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -15.093 -3.868 5.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -14.714 -4.167 3.878 1.00 0.00 H new ATOM 251 N PHE A 100 -8.693 0.169 4.090 1.00 0.00 N ATOM 252 CA PHE A 100 -7.945 1.377 4.413 1.00 0.00 C ATOM 253 C PHE A 100 -8.841 2.388 5.122 1.00 0.00 C ATOM 254 O PHE A 100 -10.033 2.147 5.307 1.00 0.00 O ATOM 255 CB PHE A 100 -7.346 1.995 3.148 1.00 0.00 C ATOM 256 CG PHE A 100 -6.684 0.993 2.244 1.00 0.00 C ATOM 257 CD1 PHE A 100 -5.711 0.134 2.731 1.00 0.00 C ATOM 258 CD2 PHE A 100 -7.030 0.914 0.903 1.00 0.00 C ATOM 259 CE1 PHE A 100 -5.094 -0.780 1.898 1.00 0.00 C ATOM 260 CE2 PHE A 100 -6.419 0.001 0.067 1.00 0.00 C ATOM 261 CZ PHE A 100 -5.449 -0.847 0.565 1.00 0.00 C ATOM 0 H PHE A 100 -8.715 -0.063 3.097 1.00 0.00 H new ATOM 0 HA PHE A 100 -7.130 1.104 5.084 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -8.134 2.506 2.595 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -6.616 2.752 3.434 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -5.432 0.180 3.773 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -7.787 1.575 0.508 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -4.335 -1.441 2.289 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -6.699 -0.050 -0.975 1.00 0.00 H new ATOM 0 HZ PHE A 100 -4.969 -1.561 -0.087 1.00 0.00 H new ATOM 271 N ALA A 101 -8.263 3.521 5.516 1.00 0.00 N ATOM 272 CA ALA A 101 -9.014 4.560 6.213 1.00 0.00 C ATOM 273 C ALA A 101 -10.346 4.846 5.524 1.00 0.00 C ATOM 274 O ALA A 101 -11.387 4.325 5.925 1.00 0.00 O ATOM 275 CB ALA A 101 -8.187 5.832 6.320 1.00 0.00 C ATOM 0 H ALA A 101 -7.279 3.742 5.364 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.231 4.196 7.217 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -8.762 6.597 6.842 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -7.271 5.625 6.874 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.935 6.187 5.321 1.00 0.00 H new ATOM 281 N ASP A 102 -10.307 5.673 4.485 1.00 0.00 N ATOM 282 CA ASP A 102 -11.514 6.027 3.743 1.00 0.00 C ATOM 283 C ASP A 102 -11.169 6.556 2.355 1.00 0.00 C ATOM 284 O ASP A 102 -11.919 7.341 1.775 1.00 0.00 O ATOM 285 CB ASP A 102 -12.324 7.076 4.509 1.00 0.00 C ATOM 286 CG ASP A 102 -12.888 6.537 5.808 1.00 0.00 C ATOM 287 OD1 ASP A 102 -14.009 5.989 5.788 1.00 0.00 O ATOM 288 OD2 ASP A 102 -12.207 6.662 6.848 1.00 0.00 O ATOM 0 H ASP A 102 -9.454 6.111 4.137 1.00 0.00 H new ATOM 0 HA ASP A 102 -12.113 5.123 3.631 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -11.690 7.937 4.721 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -13.141 7.430 3.881 1.00 0.00 H new ATOM 293 N GLY A 103 -10.031 6.118 1.827 1.00 0.00 N ATOM 294 CA GLY A 103 -9.611 6.561 0.511 1.00 0.00 C ATOM 295 C GLY A 103 -8.543 5.670 -0.089 1.00 0.00 C ATOM 296 O GLY A 103 -8.832 4.826 -0.937 1.00 0.00 O ATOM 0 H GLY A 103 -9.394 5.466 2.285 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -10.475 6.585 -0.153 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -9.233 7.581 0.578 1.00 0.00 H new ATOM 300 N CYS A 104 -7.303 5.858 0.350 1.00 0.00 N ATOM 301 CA CYS A 104 -6.188 5.065 -0.152 1.00 0.00 C ATOM 302 C CYS A 104 -5.178 4.780 0.954 1.00 0.00 C ATOM 303 O CYS A 104 -4.556 5.696 1.493 1.00 0.00 O ATOM 304 CB CYS A 104 -5.504 5.791 -1.311 1.00 0.00 C ATOM 305 SG CYS A 104 -4.845 7.419 -0.877 1.00 0.00 S ATOM 0 H CYS A 104 -7.045 6.552 1.052 1.00 0.00 H new ATOM 0 HA CYS A 104 -6.582 4.113 -0.509 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -4.690 5.170 -1.685 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -6.219 5.906 -2.126 1.00 0.00 H new ATOM 0 HG CYS A 104 -4.404 7.397 0.346 1.00 0.00 H new ATOM 311 N GLY A 105 -5.018 3.503 1.284 1.00 0.00 N ATOM 312 CA GLY A 105 -4.080 3.114 2.325 1.00 0.00 C ATOM 313 C GLY A 105 -2.642 3.137 1.850 1.00 0.00 C ATOM 314 O GLY A 105 -2.140 4.172 1.411 1.00 0.00 O ATOM 0 H GLY A 105 -5.521 2.729 0.850 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -4.188 3.786 3.176 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -4.327 2.112 2.676 1.00 0.00 H new ATOM 318 N HIS A 106 -1.980 1.990 1.936 1.00 0.00 N ATOM 319 CA HIS A 106 -0.591 1.879 1.510 1.00 0.00 C ATOM 320 C HIS A 106 -0.511 1.343 0.089 1.00 0.00 C ATOM 321 O HIS A 106 -0.989 0.245 -0.201 1.00 0.00 O ATOM 322 CB HIS A 106 0.188 0.967 2.457 1.00 0.00 C ATOM 323 CG HIS A 106 0.121 1.399 3.890 1.00 0.00 C ATOM 324 ND1 HIS A 106 0.661 2.471 4.518 1.00 0.00 N flip ATOM 325 CD2 HIS A 106 -0.563 0.695 4.859 1.00 0.00 C flip ATOM 326 CE1 HIS A 106 0.296 2.396 5.838 1.00 0.00 C flip ATOM 327 NE2 HIS A 106 -0.442 1.316 6.020 1.00 0.00 N flip ATOM 0 H HIS A 106 -2.382 1.125 2.296 1.00 0.00 H new ATOM 0 HA HIS A 106 -0.146 2.874 1.535 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -0.200 -0.048 2.373 1.00 0.00 H new ATOM 0 HB3 HIS A 106 1.231 0.936 2.143 1.00 0.00 H new ATOM 0 HD1 HIS A 106 1.233 3.199 4.089 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -1.112 -0.221 4.695 1.00 0.00 H new ATOM 0 HE1 HIS A 106 0.568 3.106 6.605 1.00 0.00 H new ATOM 336 N ASN A 107 0.094 2.124 -0.794 1.00 0.00 N ATOM 337 CA ASN A 107 0.226 1.738 -2.192 1.00 0.00 C ATOM 338 C ASN A 107 1.685 1.500 -2.563 1.00 0.00 C ATOM 339 O ASN A 107 2.559 2.302 -2.232 1.00 0.00 O ATOM 340 CB ASN A 107 -0.372 2.818 -3.097 1.00 0.00 C ATOM 341 CG ASN A 107 -1.694 3.361 -2.577 1.00 0.00 C ATOM 342 OD1 ASN A 107 -2.448 2.529 -1.862 1.00 0.00 O flip ATOM 343 ND2 ASN A 107 -2.035 4.519 -2.818 1.00 0.00 N flip ATOM 0 H ASN A 107 0.502 3.031 -0.567 1.00 0.00 H new ATOM 0 HA ASN A 107 -0.319 0.805 -2.336 1.00 0.00 H new ATOM 0 HB2 ASN A 107 0.339 3.638 -3.194 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -0.522 2.407 -4.095 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -1.428 5.125 -3.370 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -2.924 4.873 -2.466 1.00 0.00 H new ATOM 350 N CYS A 108 1.940 0.393 -3.255 1.00 0.00 N ATOM 351 CA CYS A 108 3.292 0.050 -3.676 1.00 0.00 C ATOM 352 C CYS A 108 3.910 1.192 -4.475 1.00 0.00 C ATOM 353 O CYS A 108 3.339 1.649 -5.463 1.00 0.00 O ATOM 354 CB CYS A 108 3.277 -1.222 -4.530 1.00 0.00 C ATOM 355 SG CYS A 108 4.920 -1.893 -4.881 1.00 0.00 S ATOM 0 H CYS A 108 1.227 -0.281 -3.535 1.00 0.00 H new ATOM 0 HA CYS A 108 3.892 -0.124 -2.783 1.00 0.00 H new ATOM 0 HB2 CYS A 108 2.687 -1.983 -4.020 1.00 0.00 H new ATOM 0 HB3 CYS A 108 2.774 -1.008 -5.473 1.00 0.00 H new ATOM 0 HG CYS A 108 4.817 -3.149 -5.198 1.00 0.00 H new ATOM 360 N SER A 109 5.082 1.645 -4.044 1.00 0.00 N ATOM 361 CA SER A 109 5.777 2.731 -4.723 1.00 0.00 C ATOM 362 C SER A 109 6.063 2.374 -6.180 1.00 0.00 C ATOM 363 O SER A 109 6.349 3.252 -6.995 1.00 0.00 O ATOM 364 CB SER A 109 7.087 3.055 -4.003 1.00 0.00 C ATOM 365 OG SER A 109 7.792 4.089 -4.668 1.00 0.00 O ATOM 0 H SER A 109 5.570 1.277 -3.228 1.00 0.00 H new ATOM 0 HA SER A 109 5.129 3.608 -4.703 1.00 0.00 H new ATOM 0 HB2 SER A 109 6.877 3.356 -2.977 1.00 0.00 H new ATOM 0 HB3 SER A 109 7.709 2.161 -3.952 1.00 0.00 H new ATOM 0 HG SER A 109 7.437 4.196 -5.575 1.00 0.00 H new ATOM 371 N TYR A 110 5.991 1.084 -6.504 1.00 0.00 N ATOM 372 CA TYR A 110 6.250 0.629 -7.862 1.00 0.00 C ATOM 373 C TYR A 110 4.961 0.187 -8.557 1.00 0.00 C ATOM 374 O TYR A 110 4.457 0.871 -9.448 1.00 0.00 O ATOM 375 CB TYR A 110 7.258 -0.523 -7.847 1.00 0.00 C ATOM 376 CG TYR A 110 8.536 -0.203 -7.103 1.00 0.00 C ATOM 377 CD1 TYR A 110 9.559 0.506 -7.720 1.00 0.00 C ATOM 378 CD2 TYR A 110 8.723 -0.613 -5.787 1.00 0.00 C ATOM 379 CE1 TYR A 110 10.731 0.797 -7.049 1.00 0.00 C ATOM 380 CE2 TYR A 110 9.891 -0.325 -5.110 1.00 0.00 C ATOM 381 CZ TYR A 110 10.892 0.380 -5.744 1.00 0.00 C ATOM 382 OH TYR A 110 12.058 0.668 -5.072 1.00 0.00 O ATOM 0 H TYR A 110 5.756 0.341 -5.846 1.00 0.00 H new ATOM 0 HA TYR A 110 6.666 1.466 -8.423 1.00 0.00 H new ATOM 0 HB2 TYR A 110 6.792 -1.396 -7.391 1.00 0.00 H new ATOM 0 HB3 TYR A 110 7.504 -0.793 -8.874 1.00 0.00 H new ATOM 0 HD1 TYR A 110 9.436 0.835 -8.741 1.00 0.00 H new ATOM 0 HD2 TYR A 110 7.942 -1.166 -5.287 1.00 0.00 H new ATOM 0 HE1 TYR A 110 11.517 1.348 -7.544 1.00 0.00 H new ATOM 0 HE2 TYR A 110 10.020 -0.650 -4.088 1.00 0.00 H new ATOM 0 HH TYR A 110 12.010 0.305 -4.163 1.00 0.00 H new ATOM 392 N CYS A 111 4.437 -0.961 -8.141 1.00 0.00 N ATOM 393 CA CYS A 111 3.214 -1.511 -8.719 1.00 0.00 C ATOM 394 C CYS A 111 2.033 -0.565 -8.533 1.00 0.00 C ATOM 395 O CYS A 111 1.063 -0.617 -9.287 1.00 0.00 O ATOM 396 CB CYS A 111 2.885 -2.857 -8.072 1.00 0.00 C ATOM 397 SG CYS A 111 4.316 -3.965 -7.871 1.00 0.00 S ATOM 0 H CYS A 111 4.843 -1.533 -7.400 1.00 0.00 H new ATOM 0 HA CYS A 111 3.387 -1.644 -9.787 1.00 0.00 H new ATOM 0 HB2 CYS A 111 2.440 -2.677 -7.093 1.00 0.00 H new ATOM 0 HB3 CYS A 111 2.132 -3.362 -8.676 1.00 0.00 H new ATOM 402 N GLN A 112 2.119 0.288 -7.516 1.00 0.00 N ATOM 403 CA GLN A 112 1.049 1.235 -7.210 1.00 0.00 C ATOM 404 C GLN A 112 -0.197 0.515 -6.685 1.00 0.00 C ATOM 405 O GLN A 112 -1.247 1.134 -6.507 1.00 0.00 O ATOM 406 CB GLN A 112 0.691 2.069 -8.444 1.00 0.00 C ATOM 407 CG GLN A 112 1.859 2.863 -9.004 1.00 0.00 C ATOM 408 CD GLN A 112 2.386 3.893 -8.024 1.00 0.00 C ATOM 409 OE1 GLN A 112 1.642 4.415 -7.193 1.00 0.00 O ATOM 410 NE2 GLN A 112 3.677 4.191 -8.116 1.00 0.00 N ATOM 0 H GLN A 112 2.921 0.343 -6.888 1.00 0.00 H new ATOM 0 HA GLN A 112 1.415 1.901 -6.429 1.00 0.00 H new ATOM 0 HB2 GLN A 112 0.308 1.407 -9.220 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -0.114 2.757 -8.186 1.00 0.00 H new ATOM 0 HG2 GLN A 112 2.663 2.178 -9.274 1.00 0.00 H new ATOM 0 HG3 GLN A 112 1.547 3.365 -9.920 1.00 0.00 H new ATOM 0 HE21 GLN A 112 4.257 3.734 -8.820 1.00 0.00 H new ATOM 0 HE22 GLN A 112 4.089 4.877 -7.483 1.00 0.00 H new ATOM 419 N THR A 113 -0.078 -0.793 -6.437 1.00 0.00 N ATOM 420 CA THR A 113 -1.193 -1.579 -5.934 1.00 0.00 C ATOM 421 C THR A 113 -1.562 -1.155 -4.519 1.00 0.00 C ATOM 422 O THR A 113 -0.691 -0.816 -3.718 1.00 0.00 O ATOM 423 CB THR A 113 -0.865 -3.083 -5.936 1.00 0.00 C ATOM 424 OG1 THR A 113 -0.492 -3.502 -7.253 1.00 0.00 O ATOM 425 CG2 THR A 113 -2.060 -3.898 -5.460 1.00 0.00 C ATOM 0 H THR A 113 0.782 -1.324 -6.578 1.00 0.00 H new ATOM 0 HA THR A 113 -2.037 -1.398 -6.600 1.00 0.00 H new ATOM 0 HB THR A 113 -0.033 -3.251 -5.252 1.00 0.00 H new ATOM 0 HG1 THR A 113 -0.283 -4.460 -7.245 1.00 0.00 H new ATOM 0 HG21 THR A 113 -1.805 -4.958 -5.470 1.00 0.00 H new ATOM 0 HG22 THR A 113 -2.325 -3.598 -4.446 1.00 0.00 H new ATOM 0 HG23 THR A 113 -2.907 -3.723 -6.123 1.00 0.00 H new ATOM 433 N LYS A 114 -2.853 -1.178 -4.213 1.00 0.00 N ATOM 434 CA LYS A 114 -3.325 -0.792 -2.890 1.00 0.00 C ATOM 435 C LYS A 114 -3.255 -1.971 -1.927 1.00 0.00 C ATOM 436 O LYS A 114 -4.016 -2.931 -2.052 1.00 0.00 O ATOM 437 CB LYS A 114 -4.756 -0.263 -2.967 1.00 0.00 C ATOM 438 CG LYS A 114 -4.970 0.745 -4.086 1.00 0.00 C ATOM 439 CD LYS A 114 -6.372 1.332 -4.049 1.00 0.00 C ATOM 440 CE LYS A 114 -6.581 2.203 -2.820 1.00 0.00 C ATOM 441 NZ LYS A 114 -7.961 2.756 -2.761 1.00 0.00 N ATOM 0 H LYS A 114 -3.589 -1.459 -4.861 1.00 0.00 H new ATOM 0 HA LYS A 114 -2.676 0.000 -2.516 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -5.438 -1.101 -3.109 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.015 0.202 -2.016 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -4.237 1.547 -4.000 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -4.802 0.262 -5.049 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -6.543 1.923 -4.948 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -7.105 0.525 -4.053 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -6.386 1.617 -1.922 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -5.862 3.022 -2.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -8.011 3.485 -2.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -8.206 3.177 -3.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -8.632 1.992 -2.540 1.00 0.00 H new ATOM 455 N PHE A 115 -2.340 -1.894 -0.969 1.00 0.00 N ATOM 456 CA PHE A 115 -2.173 -2.960 0.010 1.00 0.00 C ATOM 457 C PHE A 115 -2.232 -2.428 1.437 1.00 0.00 C ATOM 458 O PHE A 115 -2.104 -1.225 1.677 1.00 0.00 O ATOM 459 CB PHE A 115 -0.860 -3.714 -0.221 1.00 0.00 C ATOM 460 CG PHE A 115 0.371 -2.856 -0.160 1.00 0.00 C ATOM 461 CD1 PHE A 115 0.751 -2.237 1.020 1.00 0.00 C ATOM 462 CD2 PHE A 115 1.160 -2.686 -1.286 1.00 0.00 C ATOM 463 CE1 PHE A 115 1.896 -1.463 1.074 1.00 0.00 C ATOM 464 CE2 PHE A 115 2.303 -1.912 -1.237 1.00 0.00 C ATOM 465 CZ PHE A 115 2.672 -1.300 -0.057 1.00 0.00 C ATOM 0 H PHE A 115 -1.703 -1.106 -0.849 1.00 0.00 H new ATOM 0 HA PHE A 115 -3.003 -3.654 -0.124 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.774 -4.504 0.525 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.901 -4.199 -1.196 1.00 0.00 H new ATOM 0 HD1 PHE A 115 0.147 -2.360 1.907 1.00 0.00 H new ATOM 0 HD2 PHE A 115 0.878 -3.164 -2.213 1.00 0.00 H new ATOM 0 HE1 PHE A 115 2.183 -0.986 2.000 1.00 0.00 H new ATOM 0 HE2 PHE A 115 2.908 -1.786 -2.123 1.00 0.00 H new ATOM 0 HZ PHE A 115 3.566 -0.695 -0.018 1.00 0.00 H new ATOM 475 N CYS A 116 -2.432 -3.344 2.377 1.00 0.00 N ATOM 476 CA CYS A 116 -2.525 -3.007 3.789 1.00 0.00 C ATOM 477 C CYS A 116 -1.140 -2.985 4.428 1.00 0.00 C ATOM 478 O CYS A 116 -0.155 -3.384 3.809 1.00 0.00 O ATOM 479 CB CYS A 116 -3.423 -4.018 4.505 1.00 0.00 C ATOM 480 SG CYS A 116 -2.777 -5.723 4.498 1.00 0.00 S ATOM 0 H CYS A 116 -2.534 -4.340 2.180 1.00 0.00 H new ATOM 0 HA CYS A 116 -2.961 -2.013 3.884 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -3.561 -3.698 5.538 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -4.406 -4.011 4.035 1.00 0.00 H new ATOM 485 N ALA A 117 -1.073 -2.527 5.671 1.00 0.00 N ATOM 486 CA ALA A 117 0.195 -2.453 6.389 1.00 0.00 C ATOM 487 C ALA A 117 0.822 -3.834 6.587 1.00 0.00 C ATOM 488 O ALA A 117 1.993 -3.942 6.951 1.00 0.00 O ATOM 489 CB ALA A 117 -0.005 -1.770 7.734 1.00 0.00 C ATOM 0 H ALA A 117 -1.880 -2.201 6.203 1.00 0.00 H new ATOM 0 HA ALA A 117 0.883 -1.865 5.782 1.00 0.00 H new ATOM 0 HB1 ALA A 117 0.947 -1.720 8.262 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -0.386 -0.761 7.577 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -0.720 -2.339 8.328 1.00 0.00 H new ATOM 495 N ARG A 118 0.046 -4.889 6.346 1.00 0.00 N ATOM 496 CA ARG A 118 0.541 -6.252 6.515 1.00 0.00 C ATOM 497 C ARG A 118 1.045 -6.847 5.200 1.00 0.00 C ATOM 498 O ARG A 118 1.735 -7.867 5.204 1.00 0.00 O ATOM 499 CB ARG A 118 -0.561 -7.141 7.091 1.00 0.00 C ATOM 500 CG ARG A 118 -1.131 -6.631 8.405 1.00 0.00 C ATOM 501 CD ARG A 118 -2.292 -7.488 8.877 1.00 0.00 C ATOM 502 NE ARG A 118 -2.870 -6.990 10.123 1.00 0.00 N ATOM 503 CZ ARG A 118 -2.416 -7.308 11.333 1.00 0.00 C ATOM 504 NH1 ARG A 118 -1.364 -8.105 11.466 1.00 0.00 N ATOM 505 NH2 ARG A 118 -3.010 -6.820 12.413 1.00 0.00 N ATOM 0 H ARG A 118 -0.923 -4.826 6.035 1.00 0.00 H new ATOM 0 HA ARG A 118 1.383 -6.209 7.206 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -1.368 -7.223 6.362 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -0.164 -8.145 7.242 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -0.349 -6.625 9.164 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -1.464 -5.600 8.283 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -3.061 -7.513 8.105 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -1.951 -8.513 9.020 1.00 0.00 H new ATOM 0 HE ARG A 118 -3.670 -6.360 10.062 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -0.899 -8.478 10.638 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -1.021 -8.345 12.396 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -3.815 -6.201 12.317 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -2.662 -7.064 13.340 1.00 0.00 H new ATOM 519 N CYS A 119 0.702 -6.219 4.080 1.00 0.00 N ATOM 520 CA CYS A 119 1.131 -6.715 2.777 1.00 0.00 C ATOM 521 C CYS A 119 2.153 -5.783 2.139 1.00 0.00 C ATOM 522 O CYS A 119 2.243 -5.685 0.914 1.00 0.00 O ATOM 523 CB CYS A 119 -0.072 -6.884 1.855 1.00 0.00 C ATOM 524 SG CYS A 119 -1.185 -8.245 2.332 1.00 0.00 S ATOM 0 H CYS A 119 0.133 -5.373 4.047 1.00 0.00 H new ATOM 0 HA CYS A 119 1.606 -7.685 2.927 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -0.639 -5.953 1.840 1.00 0.00 H new ATOM 0 HB3 CYS A 119 0.283 -7.058 0.839 1.00 0.00 H new ATOM 529 N GLY A 120 2.923 -5.105 2.978 1.00 0.00 N ATOM 530 CA GLY A 120 3.936 -4.189 2.489 1.00 0.00 C ATOM 531 C GLY A 120 4.835 -3.678 3.599 1.00 0.00 C ATOM 532 O GLY A 120 4.695 -4.082 4.754 1.00 0.00 O ATOM 0 H GLY A 120 2.864 -5.173 3.994 1.00 0.00 H new ATOM 0 HA2 GLY A 120 4.543 -4.691 1.735 1.00 0.00 H new ATOM 0 HA3 GLY A 120 3.452 -3.344 1.998 1.00 0.00 H new ATOM 536 N GLY A 121 5.758 -2.789 3.252 1.00 0.00 N ATOM 537 CA GLY A 121 6.665 -2.241 4.243 1.00 0.00 C ATOM 538 C GLY A 121 6.908 -0.758 4.051 1.00 0.00 C ATOM 539 O GLY A 121 6.798 -0.241 2.939 1.00 0.00 O ATOM 0 H GLY A 121 5.895 -2.438 2.304 1.00 0.00 H new ATOM 0 HA2 GLY A 121 6.257 -2.413 5.239 1.00 0.00 H new ATOM 0 HA3 GLY A 121 7.616 -2.771 4.193 1.00 0.00 H new ATOM 543 N ARG A 122 7.242 -0.071 5.138 1.00 0.00 N ATOM 544 CA ARG A 122 7.501 1.362 5.087 1.00 0.00 C ATOM 545 C ARG A 122 8.964 1.641 4.757 1.00 0.00 C ATOM 546 O ARG A 122 9.870 1.106 5.400 1.00 0.00 O ATOM 547 CB ARG A 122 7.130 2.015 6.419 1.00 0.00 C ATOM 548 CG ARG A 122 7.497 3.488 6.496 1.00 0.00 C ATOM 549 CD ARG A 122 7.139 4.082 7.850 1.00 0.00 C ATOM 550 NE ARG A 122 7.576 5.469 7.971 1.00 0.00 N ATOM 551 CZ ARG A 122 7.397 6.206 9.062 1.00 0.00 C ATOM 552 NH1 ARG A 122 6.782 5.691 10.118 1.00 0.00 N ATOM 553 NH2 ARG A 122 7.831 7.460 9.098 1.00 0.00 N ATOM 0 H ARG A 122 7.340 -0.484 6.065 1.00 0.00 H new ATOM 0 HA ARG A 122 6.884 1.790 4.297 1.00 0.00 H new ATOM 0 HB2 ARG A 122 6.058 1.907 6.581 1.00 0.00 H new ATOM 0 HB3 ARG A 122 7.630 1.482 7.228 1.00 0.00 H new ATOM 0 HG2 ARG A 122 8.565 3.608 6.316 1.00 0.00 H new ATOM 0 HG3 ARG A 122 6.978 4.035 5.709 1.00 0.00 H new ATOM 0 HD2 ARG A 122 6.060 4.028 7.996 1.00 0.00 H new ATOM 0 HD3 ARG A 122 7.598 3.487 8.640 1.00 0.00 H new ATOM 0 HE ARG A 122 8.045 5.897 7.173 1.00 0.00 H new ATOM 0 HH11 ARG A 122 6.446 4.728 10.093 1.00 0.00 H new ATOM 0 HH12 ARG A 122 6.645 6.258 10.955 1.00 0.00 H new ATOM 0 HH21 ARG A 122 8.303 7.860 8.287 1.00 0.00 H new ATOM 0 HH22 ARG A 122 7.692 8.024 9.937 1.00 0.00 H new ATOM 567 N VAL A 123 9.189 2.480 3.752 1.00 0.00 N ATOM 568 CA VAL A 123 10.541 2.829 3.333 1.00 0.00 C ATOM 569 C VAL A 123 10.716 4.342 3.259 1.00 0.00 C ATOM 570 O VAL A 123 9.972 5.029 2.560 1.00 0.00 O ATOM 571 CB VAL A 123 10.880 2.214 1.962 1.00 0.00 C ATOM 572 CG1 VAL A 123 12.308 2.551 1.563 1.00 0.00 C ATOM 573 CG2 VAL A 123 10.665 0.707 1.984 1.00 0.00 C ATOM 0 H VAL A 123 8.451 2.932 3.212 1.00 0.00 H new ATOM 0 HA VAL A 123 11.222 2.423 4.081 1.00 0.00 H new ATOM 0 HB VAL A 123 10.209 2.642 1.217 1.00 0.00 H new ATOM 0 HG11 VAL A 123 12.529 2.108 0.592 1.00 0.00 H new ATOM 0 HG12 VAL A 123 12.423 3.633 1.503 1.00 0.00 H new ATOM 0 HG13 VAL A 123 12.997 2.154 2.308 1.00 0.00 H new ATOM 0 HG21 VAL A 123 10.910 0.290 1.007 1.00 0.00 H new ATOM 0 HG22 VAL A 123 11.308 0.259 2.741 1.00 0.00 H new ATOM 0 HG23 VAL A 123 9.623 0.492 2.220 1.00 0.00 H new ATOM 583 N SER A 124 11.707 4.853 3.981 1.00 0.00 N ATOM 584 CA SER A 124 11.979 6.286 4.000 1.00 0.00 C ATOM 585 C SER A 124 12.985 6.665 2.918 1.00 0.00 C ATOM 586 O SER A 124 14.021 6.018 2.764 1.00 0.00 O ATOM 587 CB SER A 124 12.511 6.703 5.373 1.00 0.00 C ATOM 588 OG SER A 124 12.766 8.096 5.419 1.00 0.00 O ATOM 0 H SER A 124 12.335 4.297 4.561 1.00 0.00 H new ATOM 0 HA SER A 124 11.045 6.811 3.801 1.00 0.00 H new ATOM 0 HB2 SER A 124 11.787 6.437 6.143 1.00 0.00 H new ATOM 0 HB3 SER A 124 13.427 6.155 5.593 1.00 0.00 H new ATOM 0 HG SER A 124 13.103 8.338 6.307 1.00 0.00 H new ATOM 594 N LEU A 125 12.668 7.718 2.170 1.00 0.00 N ATOM 595 CA LEU A 125 13.540 8.188 1.100 1.00 0.00 C ATOM 596 C LEU A 125 14.476 9.284 1.598 1.00 0.00 C ATOM 597 O LEU A 125 15.698 9.159 1.509 1.00 0.00 O ATOM 598 CB LEU A 125 12.707 8.714 -0.070 1.00 0.00 C ATOM 599 CG LEU A 125 11.834 7.673 -0.769 1.00 0.00 C ATOM 600 CD1 LEU A 125 11.086 8.301 -1.934 1.00 0.00 C ATOM 601 CD2 LEU A 125 12.676 6.501 -1.242 1.00 0.00 C ATOM 0 H LEU A 125 11.813 8.262 2.286 1.00 0.00 H new ATOM 0 HA LEU A 125 14.143 7.344 0.763 1.00 0.00 H new ATOM 0 HB2 LEU A 125 12.066 9.517 0.294 1.00 0.00 H new ATOM 0 HB3 LEU A 125 13.381 9.153 -0.806 1.00 0.00 H new ATOM 0 HG LEU A 125 11.102 7.300 -0.053 1.00 0.00 H new ATOM 0 HD11 LEU A 125 10.469 7.545 -2.420 1.00 0.00 H new ATOM 0 HD12 LEU A 125 10.450 9.107 -1.566 1.00 0.00 H new ATOM 0 HD13 LEU A 125 11.801 8.702 -2.652 1.00 0.00 H new ATOM 0 HD21 LEU A 125 12.037 5.770 -1.737 1.00 0.00 H new ATOM 0 HD22 LEU A 125 13.432 6.855 -1.942 1.00 0.00 H new ATOM 0 HD23 LEU A 125 13.164 6.035 -0.386 1.00 0.00 H new ATOM 613 N ARG A 126 13.895 10.360 2.120 1.00 0.00 N ATOM 614 CA ARG A 126 14.680 11.479 2.628 1.00 0.00 C ATOM 615 C ARG A 126 14.407 11.706 4.111 1.00 0.00 C ATOM 616 O ARG A 126 15.291 11.529 4.949 1.00 0.00 O ATOM 617 CB ARG A 126 14.367 12.750 1.838 1.00 0.00 C ATOM 618 CG ARG A 126 15.314 13.902 2.142 1.00 0.00 C ATOM 619 CD ARG A 126 16.755 13.532 1.829 1.00 0.00 C ATOM 620 NE ARG A 126 16.920 13.101 0.444 1.00 0.00 N ATOM 621 CZ ARG A 126 18.002 12.478 -0.010 1.00 0.00 C ATOM 622 NH1 ARG A 126 19.014 12.222 0.808 1.00 0.00 N ATOM 623 NH2 ARG A 126 18.075 12.111 -1.283 1.00 0.00 N ATOM 0 H ARG A 126 12.885 10.480 2.202 1.00 0.00 H new ATOM 0 HA ARG A 126 15.735 11.235 2.505 1.00 0.00 H new ATOM 0 HB2 ARG A 126 14.410 12.526 0.772 1.00 0.00 H new ATOM 0 HB3 ARG A 126 13.346 13.062 2.057 1.00 0.00 H new ATOM 0 HG2 ARG A 126 15.026 14.776 1.558 1.00 0.00 H new ATOM 0 HG3 ARG A 126 15.228 14.179 3.193 1.00 0.00 H new ATOM 0 HD2 ARG A 126 17.400 14.390 2.021 1.00 0.00 H new ATOM 0 HD3 ARG A 126 17.078 12.734 2.498 1.00 0.00 H new ATOM 0 HE ARG A 126 16.162 13.289 -0.212 1.00 0.00 H new ATOM 0 HH11 ARG A 126 18.962 12.503 1.787 1.00 0.00 H new ATOM 0 HH12 ARG A 126 19.844 11.744 0.458 1.00 0.00 H new ATOM 0 HH21 ARG A 126 17.299 12.307 -1.916 1.00 0.00 H new ATOM 0 HH22 ARG A 126 18.907 11.633 -1.629 1.00 0.00 H new ATOM 637 N SER A 127 13.178 12.102 4.429 1.00 0.00 N ATOM 638 CA SER A 127 12.793 12.355 5.812 1.00 0.00 C ATOM 639 C SER A 127 11.276 12.310 5.979 1.00 0.00 C ATOM 640 O SER A 127 10.752 11.520 6.765 1.00 0.00 O ATOM 641 CB SER A 127 13.325 13.715 6.270 1.00 0.00 C ATOM 642 OG SER A 127 14.739 13.764 6.187 1.00 0.00 O ATOM 0 H SER A 127 12.434 12.254 3.749 1.00 0.00 H new ATOM 0 HA SER A 127 13.230 11.571 6.430 1.00 0.00 H new ATOM 0 HB2 SER A 127 12.894 14.504 5.654 1.00 0.00 H new ATOM 0 HB3 SER A 127 13.011 13.905 7.296 1.00 0.00 H new ATOM 0 HG SER A 127 15.093 12.854 6.102 1.00 0.00 H new ATOM 648 N ASN A 128 10.577 13.160 5.234 1.00 0.00 N ATOM 649 CA ASN A 128 9.121 13.219 5.302 1.00 0.00 C ATOM 650 C ASN A 128 8.472 12.491 4.125 1.00 0.00 C ATOM 651 O ASN A 128 7.269 12.230 4.139 1.00 0.00 O ATOM 652 CB ASN A 128 8.653 14.675 5.331 1.00 0.00 C ATOM 653 CG ASN A 128 7.147 14.794 5.455 1.00 0.00 C ATOM 654 OD1 ASN A 128 6.606 14.858 6.560 1.00 0.00 O ATOM 655 ND2 ASN A 128 6.459 14.825 4.319 1.00 0.00 N ATOM 0 H ASN A 128 10.995 13.818 4.576 1.00 0.00 H new ATOM 0 HA ASN A 128 8.813 12.718 6.220 1.00 0.00 H new ATOM 0 HB2 ASN A 128 9.126 15.189 6.168 1.00 0.00 H new ATOM 0 HB3 ASN A 128 8.981 15.178 4.421 1.00 0.00 H new ATOM 0 HD21 ASN A 128 5.442 14.905 4.341 1.00 0.00 H new ATOM 0 HD22 ASN A 128 6.947 14.769 3.425 1.00 0.00 H new ATOM 662 N LYS A 129 9.266 12.162 3.108 1.00 0.00 N ATOM 663 CA LYS A 129 8.748 11.468 1.936 1.00 0.00 C ATOM 664 C LYS A 129 8.675 9.965 2.185 1.00 0.00 C ATOM 665 O LYS A 129 9.640 9.236 1.953 1.00 0.00 O ATOM 666 CB LYS A 129 9.624 11.752 0.715 1.00 0.00 C ATOM 667 CG LYS A 129 9.613 13.209 0.272 1.00 0.00 C ATOM 668 CD LYS A 129 10.158 14.133 1.352 1.00 0.00 C ATOM 669 CE LYS A 129 10.442 15.524 0.804 1.00 0.00 C ATOM 670 NZ LYS A 129 9.229 16.141 0.199 1.00 0.00 N ATOM 0 H LYS A 129 10.265 12.365 3.074 1.00 0.00 H new ATOM 0 HA LYS A 129 7.741 11.838 1.743 1.00 0.00 H new ATOM 0 HB2 LYS A 129 10.649 11.459 0.940 1.00 0.00 H new ATOM 0 HB3 LYS A 129 9.288 11.128 -0.113 1.00 0.00 H new ATOM 0 HG2 LYS A 129 10.209 13.318 -0.634 1.00 0.00 H new ATOM 0 HG3 LYS A 129 8.594 13.505 0.021 1.00 0.00 H new ATOM 0 HD2 LYS A 129 9.440 14.202 2.169 1.00 0.00 H new ATOM 0 HD3 LYS A 129 11.073 13.710 1.766 1.00 0.00 H new ATOM 0 HE2 LYS A 129 10.812 16.162 1.607 1.00 0.00 H new ATOM 0 HE3 LYS A 129 11.231 15.465 0.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 9.416 17.143 -0.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 8.990 15.644 -0.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 8.433 16.068 0.865 1.00 0.00 H new ATOM 684 N VAL A 130 7.520 9.512 2.659 1.00 0.00 N ATOM 685 CA VAL A 130 7.309 8.102 2.953 1.00 0.00 C ATOM 686 C VAL A 130 6.614 7.383 1.802 1.00 0.00 C ATOM 687 O VAL A 130 5.625 7.871 1.255 1.00 0.00 O ATOM 688 CB VAL A 130 6.463 7.927 4.229 1.00 0.00 C ATOM 689 CG1 VAL A 130 6.300 6.453 4.568 1.00 0.00 C ATOM 690 CG2 VAL A 130 7.092 8.680 5.388 1.00 0.00 C ATOM 0 H VAL A 130 6.712 10.105 2.848 1.00 0.00 H new ATOM 0 HA VAL A 130 8.295 7.662 3.101 1.00 0.00 H new ATOM 0 HB VAL A 130 5.472 8.343 4.046 1.00 0.00 H new ATOM 0 HG11 VAL A 130 5.700 6.352 5.472 1.00 0.00 H new ATOM 0 HG12 VAL A 130 5.803 5.943 3.743 1.00 0.00 H new ATOM 0 HG13 VAL A 130 7.281 6.007 4.732 1.00 0.00 H new ATOM 0 HG21 VAL A 130 6.483 8.547 6.282 1.00 0.00 H new ATOM 0 HG22 VAL A 130 8.095 8.294 5.571 1.00 0.00 H new ATOM 0 HG23 VAL A 130 7.151 9.741 5.144 1.00 0.00 H new ATOM 700 N MET A 131 7.141 6.217 1.442 1.00 0.00 N ATOM 701 CA MET A 131 6.568 5.413 0.370 1.00 0.00 C ATOM 702 C MET A 131 6.496 3.956 0.794 1.00 0.00 C ATOM 703 O MET A 131 7.422 3.428 1.408 1.00 0.00 O ATOM 704 CB MET A 131 7.381 5.545 -0.915 1.00 0.00 C ATOM 705 CG MET A 131 7.562 6.984 -1.367 1.00 0.00 C ATOM 706 SD MET A 131 8.070 7.113 -3.093 1.00 0.00 S ATOM 707 CE MET A 131 6.617 6.474 -3.923 1.00 0.00 C ATOM 0 H MET A 131 7.967 5.807 1.879 1.00 0.00 H new ATOM 0 HA MET A 131 5.561 5.781 0.172 1.00 0.00 H new ATOM 0 HB2 MET A 131 8.361 5.093 -0.764 1.00 0.00 H new ATOM 0 HB3 MET A 131 6.889 4.982 -1.708 1.00 0.00 H new ATOM 0 HG2 MET A 131 6.626 7.525 -1.227 1.00 0.00 H new ATOM 0 HG3 MET A 131 8.308 7.468 -0.736 1.00 0.00 H new ATOM 0 HE1 MET A 131 6.859 6.256 -4.963 1.00 0.00 H new ATOM 0 HE2 MET A 131 6.287 5.561 -3.428 1.00 0.00 H new ATOM 0 HE3 MET A 131 5.820 7.216 -3.884 1.00 0.00 H new ATOM 717 N TRP A 132 5.389 3.316 0.464 1.00 0.00 N ATOM 718 CA TRP A 132 5.179 1.922 0.826 1.00 0.00 C ATOM 719 C TRP A 132 5.429 0.985 -0.348 1.00 0.00 C ATOM 720 O TRP A 132 5.013 1.252 -1.476 1.00 0.00 O ATOM 721 CB TRP A 132 3.768 1.735 1.378 1.00 0.00 C ATOM 722 CG TRP A 132 3.660 2.119 2.819 1.00 0.00 C ATOM 723 CD1 TRP A 132 3.579 3.382 3.329 1.00 0.00 C ATOM 724 CD2 TRP A 132 3.634 1.230 3.939 1.00 0.00 C ATOM 725 NE1 TRP A 132 3.504 3.333 4.700 1.00 0.00 N ATOM 726 CE2 TRP A 132 3.533 2.021 5.099 1.00 0.00 C ATOM 727 CE3 TRP A 132 3.684 -0.160 4.072 1.00 0.00 C ATOM 728 CZ2 TRP A 132 3.482 1.466 6.375 1.00 0.00 C ATOM 729 CZ3 TRP A 132 3.632 -0.710 5.340 1.00 0.00 C ATOM 730 CH2 TRP A 132 3.532 0.102 6.477 1.00 0.00 C ATOM 0 H TRP A 132 4.619 3.738 -0.055 1.00 0.00 H new ATOM 0 HA TRP A 132 5.903 1.664 1.599 1.00 0.00 H new ATOM 0 HB2 TRP A 132 3.070 2.334 0.793 1.00 0.00 H new ATOM 0 HB3 TRP A 132 3.471 0.693 1.260 1.00 0.00 H new ATOM 0 HD1 TRP A 132 3.575 4.288 2.741 1.00 0.00 H new ATOM 0 HE1 TRP A 132 3.438 4.140 5.320 1.00 0.00 H new ATOM 0 HE3 TRP A 132 3.762 -0.793 3.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 3.406 2.090 7.253 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 3.669 -1.783 5.455 1.00 0.00 H new ATOM 0 HH2 TRP A 132 3.494 -0.357 7.454 1.00 0.00 H new ATOM 741 N VAL A 133 6.116 -0.118 -0.065 1.00 0.00 N ATOM 742 CA VAL A 133 6.440 -1.112 -1.079 1.00 0.00 C ATOM 743 C VAL A 133 5.947 -2.493 -0.656 1.00 0.00 C ATOM 744 O VAL A 133 6.231 -2.949 0.452 1.00 0.00 O ATOM 745 CB VAL A 133 7.960 -1.165 -1.326 1.00 0.00 C ATOM 746 CG1 VAL A 133 8.302 -2.182 -2.399 1.00 0.00 C ATOM 747 CG2 VAL A 133 8.483 0.207 -1.701 1.00 0.00 C ATOM 0 H VAL A 133 6.461 -0.346 0.868 1.00 0.00 H new ATOM 0 HA VAL A 133 5.939 -0.820 -2.002 1.00 0.00 H new ATOM 0 HB VAL A 133 8.444 -1.479 -0.401 1.00 0.00 H new ATOM 0 HG11 VAL A 133 9.381 -2.199 -2.554 1.00 0.00 H new ATOM 0 HG12 VAL A 133 7.965 -3.170 -2.085 1.00 0.00 H new ATOM 0 HG13 VAL A 133 7.806 -1.909 -3.331 1.00 0.00 H new ATOM 0 HG21 VAL A 133 9.558 0.152 -1.872 1.00 0.00 H new ATOM 0 HG22 VAL A 133 7.988 0.549 -2.610 1.00 0.00 H new ATOM 0 HG23 VAL A 133 8.280 0.908 -0.891 1.00 0.00 H new ATOM 757 N CYS A 134 5.205 -3.155 -1.540 1.00 0.00 N ATOM 758 CA CYS A 134 4.666 -4.478 -1.242 1.00 0.00 C ATOM 759 C CYS A 134 5.777 -5.464 -0.907 1.00 0.00 C ATOM 760 O CYS A 134 6.912 -5.326 -1.363 1.00 0.00 O ATOM 761 CB CYS A 134 3.837 -5.006 -2.417 1.00 0.00 C ATOM 762 SG CYS A 134 4.796 -5.340 -3.930 1.00 0.00 S ATOM 0 H CYS A 134 4.964 -2.798 -2.465 1.00 0.00 H new ATOM 0 HA CYS A 134 4.019 -4.379 -0.370 1.00 0.00 H new ATOM 0 HB2 CYS A 134 3.337 -5.924 -2.109 1.00 0.00 H new ATOM 0 HB3 CYS A 134 3.057 -4.281 -2.649 1.00 0.00 H new ATOM 767 N ASN A 135 5.428 -6.463 -0.104 1.00 0.00 N ATOM 768 CA ASN A 135 6.373 -7.492 0.322 1.00 0.00 C ATOM 769 C ASN A 135 7.062 -8.159 -0.866 1.00 0.00 C ATOM 770 O ASN A 135 8.133 -8.749 -0.718 1.00 0.00 O ATOM 771 CB ASN A 135 5.653 -8.549 1.162 1.00 0.00 C ATOM 772 CG ASN A 135 5.028 -7.965 2.415 1.00 0.00 C ATOM 773 OD1 ASN A 135 5.534 -6.996 2.980 1.00 0.00 O ATOM 774 ND2 ASN A 135 3.922 -8.554 2.853 1.00 0.00 N ATOM 0 H ASN A 135 4.486 -6.583 0.269 1.00 0.00 H new ATOM 0 HA ASN A 135 7.141 -7.004 0.922 1.00 0.00 H new ATOM 0 HB2 ASN A 135 4.878 -9.022 0.559 1.00 0.00 H new ATOM 0 HB3 ASN A 135 6.360 -9.330 1.442 1.00 0.00 H new ATOM 0 HD21 ASN A 135 3.456 -8.205 3.691 1.00 0.00 H new ATOM 0 HD22 ASN A 135 3.538 -9.355 2.352 1.00 0.00 H new ATOM 781 N LEU A 136 6.456 -8.052 -2.044 1.00 0.00 N ATOM 782 CA LEU A 136 7.023 -8.655 -3.244 1.00 0.00 C ATOM 783 C LEU A 136 8.126 -7.769 -3.802 1.00 0.00 C ATOM 784 O LEU A 136 9.104 -8.255 -4.370 1.00 0.00 O ATOM 785 CB LEU A 136 5.938 -8.856 -4.304 1.00 0.00 C ATOM 786 CG LEU A 136 4.594 -9.342 -3.768 1.00 0.00 C ATOM 787 CD1 LEU A 136 3.544 -9.317 -4.862 1.00 0.00 C ATOM 788 CD2 LEU A 136 4.733 -10.740 -3.192 1.00 0.00 C ATOM 0 H LEU A 136 5.577 -7.556 -2.193 1.00 0.00 H new ATOM 0 HA LEU A 136 7.441 -9.626 -2.979 1.00 0.00 H new ATOM 0 HB2 LEU A 136 5.784 -7.912 -4.827 1.00 0.00 H new ATOM 0 HB3 LEU A 136 6.299 -9.574 -5.040 1.00 0.00 H new ATOM 0 HG LEU A 136 4.273 -8.670 -2.972 1.00 0.00 H new ATOM 0 HD11 LEU A 136 2.593 -9.667 -4.461 1.00 0.00 H new ATOM 0 HD12 LEU A 136 3.429 -8.298 -5.233 1.00 0.00 H new ATOM 0 HD13 LEU A 136 3.855 -9.968 -5.679 1.00 0.00 H new ATOM 0 HD21 LEU A 136 3.767 -11.075 -2.813 1.00 0.00 H new ATOM 0 HD22 LEU A 136 5.074 -11.422 -3.971 1.00 0.00 H new ATOM 0 HD23 LEU A 136 5.458 -10.728 -2.378 1.00 0.00 H new ATOM 800 N CYS A 137 7.958 -6.466 -3.634 1.00 0.00 N ATOM 801 CA CYS A 137 8.939 -5.499 -4.103 1.00 0.00 C ATOM 802 C CYS A 137 9.974 -5.232 -3.016 1.00 0.00 C ATOM 803 O CYS A 137 11.124 -4.900 -3.304 1.00 0.00 O ATOM 804 CB CYS A 137 8.252 -4.193 -4.506 1.00 0.00 C ATOM 805 SG CYS A 137 7.508 -4.222 -6.166 1.00 0.00 S ATOM 0 H CYS A 137 7.147 -6.052 -3.174 1.00 0.00 H new ATOM 0 HA CYS A 137 9.442 -5.912 -4.977 1.00 0.00 H new ATOM 0 HB2 CYS A 137 7.475 -3.964 -3.776 1.00 0.00 H new ATOM 0 HB3 CYS A 137 8.981 -3.384 -4.461 1.00 0.00 H new ATOM 810 N ARG A 138 9.554 -5.383 -1.764 1.00 0.00 N ATOM 811 CA ARG A 138 10.439 -5.164 -0.626 1.00 0.00 C ATOM 812 C ARG A 138 11.601 -6.152 -0.642 1.00 0.00 C ATOM 813 O ARG A 138 12.742 -5.786 -0.357 1.00 0.00 O ATOM 814 CB ARG A 138 9.660 -5.300 0.685 1.00 0.00 C ATOM 815 CG ARG A 138 10.525 -5.155 1.926 1.00 0.00 C ATOM 816 CD ARG A 138 9.730 -5.423 3.194 1.00 0.00 C ATOM 817 NE ARG A 138 10.554 -5.297 4.395 1.00 0.00 N ATOM 818 CZ ARG A 138 10.115 -5.565 5.621 1.00 0.00 C ATOM 819 NH1 ARG A 138 8.867 -5.971 5.807 1.00 0.00 N ATOM 820 NH2 ARG A 138 10.926 -5.429 6.662 1.00 0.00 N ATOM 0 H ARG A 138 8.604 -5.657 -1.512 1.00 0.00 H new ATOM 0 HA ARG A 138 10.842 -4.154 -0.700 1.00 0.00 H new ATOM 0 HB2 ARG A 138 8.874 -4.545 0.710 1.00 0.00 H new ATOM 0 HB3 ARG A 138 9.169 -6.273 0.707 1.00 0.00 H new ATOM 0 HG2 ARG A 138 11.365 -5.848 1.869 1.00 0.00 H new ATOM 0 HG3 ARG A 138 10.944 -4.149 1.964 1.00 0.00 H new ATOM 0 HD2 ARG A 138 8.895 -4.725 3.253 1.00 0.00 H new ATOM 0 HD3 ARG A 138 9.305 -6.426 3.150 1.00 0.00 H new ATOM 0 HE ARG A 138 11.519 -4.986 4.286 1.00 0.00 H new ATOM 0 HH11 ARG A 138 8.241 -6.078 5.009 1.00 0.00 H new ATOM 0 HH12 ARG A 138 8.532 -6.176 6.748 1.00 0.00 H new ATOM 0 HH21 ARG A 138 11.887 -5.119 6.522 1.00 0.00 H new ATOM 0 HH22 ARG A 138 10.588 -5.635 7.602 1.00 0.00 H new ATOM 834 N LYS A 139 11.305 -7.405 -0.978 1.00 0.00 N ATOM 835 CA LYS A 139 12.330 -8.443 -1.026 1.00 0.00 C ATOM 836 C LYS A 139 12.941 -8.545 -2.420 1.00 0.00 C ATOM 837 O LYS A 139 14.159 -8.643 -2.568 1.00 0.00 O ATOM 838 CB LYS A 139 11.741 -9.794 -0.617 1.00 0.00 C ATOM 839 CG LYS A 139 12.746 -10.936 -0.670 1.00 0.00 C ATOM 840 CD LYS A 139 12.094 -12.270 -0.344 1.00 0.00 C ATOM 841 CE LYS A 139 11.625 -12.326 1.101 1.00 0.00 C ATOM 842 NZ LYS A 139 12.764 -12.280 2.057 1.00 0.00 N ATOM 0 H LYS A 139 10.367 -7.725 -1.220 1.00 0.00 H new ATOM 0 HA LYS A 139 13.117 -8.169 -0.323 1.00 0.00 H new ATOM 0 HB2 LYS A 139 11.344 -9.717 0.395 1.00 0.00 H new ATOM 0 HB3 LYS A 139 10.902 -10.029 -1.272 1.00 0.00 H new ATOM 0 HG2 LYS A 139 13.194 -10.982 -1.663 1.00 0.00 H new ATOM 0 HG3 LYS A 139 13.554 -10.743 0.035 1.00 0.00 H new ATOM 0 HD2 LYS A 139 11.246 -12.433 -1.009 1.00 0.00 H new ATOM 0 HD3 LYS A 139 12.803 -13.077 -0.528 1.00 0.00 H new ATOM 0 HE2 LYS A 139 10.953 -11.491 1.297 1.00 0.00 H new ATOM 0 HE3 LYS A 139 11.053 -13.240 1.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 12.434 -12.556 3.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 13.507 -12.938 1.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 13.149 -11.315 2.092 1.00 0.00 H new ATOM 856 N GLN A 140 12.087 -8.522 -3.438 1.00 0.00 N ATOM 857 CA GLN A 140 12.544 -8.616 -4.820 1.00 0.00 C ATOM 858 C GLN A 140 13.455 -7.444 -5.176 1.00 0.00 C ATOM 859 O GLN A 140 14.385 -7.591 -5.967 1.00 0.00 O ATOM 860 CB GLN A 140 11.349 -8.658 -5.773 1.00 0.00 C ATOM 861 CG GLN A 140 11.742 -8.837 -7.230 1.00 0.00 C ATOM 862 CD GLN A 140 10.541 -8.982 -8.144 1.00 0.00 C ATOM 863 OE1 GLN A 140 9.489 -9.471 -7.733 1.00 0.00 O ATOM 864 NE2 GLN A 140 10.695 -8.560 -9.393 1.00 0.00 N ATOM 0 H GLN A 140 11.076 -8.439 -3.332 1.00 0.00 H new ATOM 0 HA GLN A 140 13.115 -9.539 -4.924 1.00 0.00 H new ATOM 0 HB2 GLN A 140 10.689 -9.475 -5.480 1.00 0.00 H new ATOM 0 HB3 GLN A 140 10.779 -7.735 -5.669 1.00 0.00 H new ATOM 0 HG2 GLN A 140 12.336 -7.981 -7.550 1.00 0.00 H new ATOM 0 HG3 GLN A 140 12.376 -9.719 -7.326 1.00 0.00 H new ATOM 0 HE21 GLN A 140 11.585 -8.161 -9.690 1.00 0.00 H new ATOM 0 HE22 GLN A 140 9.923 -8.635 -10.055 1.00 0.00 H new ATOM 873 N GLN A 141 13.181 -6.283 -4.590 1.00 0.00 N ATOM 874 CA GLN A 141 13.982 -5.091 -4.853 1.00 0.00 C ATOM 875 C GLN A 141 14.678 -4.594 -3.586 1.00 0.00 C ATOM 876 O GLN A 141 15.141 -3.454 -3.532 1.00 0.00 O ATOM 877 CB GLN A 141 13.107 -3.978 -5.433 1.00 0.00 C ATOM 878 CG GLN A 141 12.489 -4.326 -6.778 1.00 0.00 C ATOM 879 CD GLN A 141 13.514 -4.376 -7.894 1.00 0.00 C ATOM 880 OE1 GLN A 141 14.680 -4.695 -7.667 1.00 0.00 O ATOM 881 NE2 GLN A 141 13.082 -4.055 -9.109 1.00 0.00 N ATOM 0 H GLN A 141 12.414 -6.141 -3.933 1.00 0.00 H new ATOM 0 HA GLN A 141 14.748 -5.363 -5.579 1.00 0.00 H new ATOM 0 HB2 GLN A 141 12.310 -3.748 -4.725 1.00 0.00 H new ATOM 0 HB3 GLN A 141 13.708 -3.075 -5.542 1.00 0.00 H new ATOM 0 HG2 GLN A 141 11.989 -5.292 -6.705 1.00 0.00 H new ATOM 0 HG3 GLN A 141 11.725 -3.589 -7.024 1.00 0.00 H new ATOM 0 HE21 GLN A 141 12.106 -3.796 -9.251 1.00 0.00 H new ATOM 0 HE22 GLN A 141 13.727 -4.067 -9.899 1.00 0.00 H new ATOM 890 N GLU A 142 14.752 -5.451 -2.569 1.00 0.00 N ATOM 891 CA GLU A 142 15.396 -5.091 -1.309 1.00 0.00 C ATOM 892 C GLU A 142 14.918 -3.729 -0.814 1.00 0.00 C ATOM 893 O GLU A 142 13.929 -3.691 -0.050 1.00 0.00 O ATOM 894 CB GLU A 142 16.917 -5.082 -1.476 1.00 0.00 C ATOM 895 CG GLU A 142 17.666 -4.684 -0.215 1.00 0.00 C ATOM 896 CD GLU A 142 19.171 -4.731 -0.391 1.00 0.00 C ATOM 897 OE1 GLU A 142 19.740 -3.746 -0.909 1.00 0.00 O ATOM 898 OE2 GLU A 142 19.783 -5.751 -0.009 1.00 0.00 O ATOM 899 OXT GLU A 142 15.536 -2.713 -1.195 1.00 0.00 O ATOM 0 H GLU A 142 14.374 -6.398 -2.594 1.00 0.00 H new ATOM 0 HA GLU A 142 15.121 -5.839 -0.566 1.00 0.00 H new ATOM 0 HB2 GLU A 142 17.246 -6.074 -1.786 1.00 0.00 H new ATOM 0 HB3 GLU A 142 17.182 -4.393 -2.278 1.00 0.00 H new ATOM 0 HG2 GLU A 142 17.369 -3.676 0.076 1.00 0.00 H new ATOM 0 HG3 GLU A 142 17.378 -5.349 0.599 1.00 0.00 H new TER 906 GLU A 142 HETATM 907 ZN ZN A 292 -3.316 -6.961 2.256 1.00 0.00 ZN HETATM 908 ZN ZN A 308 5.203 -3.341 -5.514 1.00 0.00 ZN