USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 855 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 122 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 165 TYR OH : rot -100:sc= -0.0149 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 HIS :FLIP no HD1:sc= -0.118 F(o=-1,f=-0.12) USER MOD Single : A 82 MET CE :methyl -134:sc= 0 (180deg=-0.0213) USER MOD Single : A 86 GLN : amide:sc= -1.54 X(o=-1.5,f=-1.3) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.00934 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 CYS SG : rot 69:sc= 0.761 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 GLN : amide:sc= -0.0809 K(o=-0.081,f=-0.73) USER MOD Single : A 111 CYS SG : rot 66:sc= 0.844 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 50:sc= -1.33 USER MOD Single : A 123 THR OG1 : rot 91:sc= 1.26 USER MOD Single : A 125 GLN : amide:sc= -2.88 K(o=-2.9,f=-6.9!) USER MOD Single : A 126 SER OG : rot 71:sc= 0.399 USER MOD Single : A 131 TYR OH : rot 30:sc= 0 USER MOD Single : A 136 HIS :FLIP no HE2:sc=-0.00667 F(o=-0.72,f=-0.0067) USER MOD Single : A 140 TYR OH : rot -143:sc= 0.268 USER MOD Single : A 142 SER OG : rot -19:sc= 0.0295 USER MOD Single : A 145 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 149 ASN : amide:sc= -1.84 X(o=-1.8,f=-1.4!) USER MOD Single : A 150 GLN :FLIP amide:sc= -1.06 F(o=-2.2!,f=-1.1) USER MOD Single : A 151 THR OG1 : rot 171:sc= -0.213 USER MOD Single : A 152 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 159 MET CE :methyl 166:sc= -0.217 (180deg=-0.37) USER MOD Single : A 162 HIS : no HD1:sc= -3.5 X(o=-3.5,f=-3.2) USER MOD Single : A 163 LYS NZ :NH3+ 163:sc= -0.461 (180deg=-1.03) USER MOD Single : A 164 SER OG : rot -41:sc= 1.14 USER MOD Single : A 167 SER OG : rot 180:sc= 0 USER MOD Single : A 168 MET CE :methyl 142:sc= -0.0201 (180deg=-0.281) USER MOD Single : A 169 THR OG1 : rot 180:sc= 0 USER MOD Single : A 172 GLN : amide:sc= -0.233 X(o=-0.23,f=0) USER MOD Single : A 180 ASN : amide:sc= 0.307 X(o=0.31,f=0) USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 183 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 185 SER OG : rot 180:sc= 0 USER MOD Single : A 186 MET CE :methyl -138:sc= -0.457 (180deg=-3.21!) USER MOD Single : A 187 TYR OH : rot 45:sc= 0.352 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 79 23.049 18.762 8.026 1.00 0.00 N ATOM 2 CA GLY A 79 22.093 19.811 7.576 1.00 0.00 C ATOM 3 C GLY A 79 20.887 19.230 6.864 1.00 0.00 C ATOM 4 O GLY A 79 20.548 18.062 7.054 1.00 0.00 O ATOM 0 HA2 GLY A 79 21.759 20.388 8.438 1.00 0.00 H new ATOM 0 HA3 GLY A 79 22.606 20.504 6.909 1.00 0.00 H new ATOM 10 N SER A 80 20.238 20.047 6.041 1.00 0.00 N ATOM 11 CA SER A 80 19.062 19.608 5.297 1.00 0.00 C ATOM 12 C SER A 80 19.243 19.849 3.802 1.00 0.00 C ATOM 13 O SER A 80 19.687 20.918 3.384 1.00 0.00 O ATOM 14 CB SER A 80 17.815 20.340 5.796 1.00 0.00 C ATOM 15 OG SER A 80 17.790 20.399 7.211 1.00 0.00 O ATOM 0 H SER A 80 20.506 21.017 5.872 1.00 0.00 H new ATOM 0 HA SER A 80 18.937 18.538 5.462 1.00 0.00 H new ATOM 0 HB2 SER A 80 17.794 21.350 5.386 1.00 0.00 H new ATOM 0 HB3 SER A 80 16.922 19.831 5.434 1.00 0.00 H new ATOM 0 HG SER A 80 16.984 20.873 7.504 1.00 0.00 H new ATOM 21 N HIS A 81 18.897 18.847 3.001 1.00 0.00 N ATOM 22 CA HIS A 81 19.021 18.950 1.551 1.00 0.00 C ATOM 23 C HIS A 81 18.354 17.763 0.863 1.00 0.00 C ATOM 24 O HIS A 81 18.506 16.619 1.291 1.00 0.00 O ATOM 25 CB HIS A 81 20.494 19.025 1.149 1.00 0.00 C ATOM 26 CG HIS A 81 21.345 17.974 1.791 1.00 0.00 C ATOM 27 ND1 HIS A 81 21.637 17.743 3.093 1.00 0.00 N flip ATOM 28 CD2 HIS A 81 22.012 17.003 1.073 1.00 0.00 C flip ATOM 29 CE1 HIS A 81 22.465 16.649 3.137 1.00 0.00 C flip ATOM 30 NE2 HIS A 81 22.676 16.221 1.906 1.00 0.00 N flip ATOM 0 H HIS A 81 18.529 17.955 3.331 1.00 0.00 H new ATOM 0 HA HIS A 81 18.517 19.862 1.232 1.00 0.00 H new ATOM 0 HB2 HIS A 81 20.571 18.932 0.066 1.00 0.00 H new ATOM 0 HB3 HIS A 81 20.884 20.008 1.413 1.00 0.00 H new ATOM 0 HD2 HIS A 81 21.994 16.898 -0.002 1.00 0.00 H new ATOM 0 HE1 HIS A 81 22.877 16.210 4.033 1.00 0.00 H new ATOM 0 HE2 HIS A 81 23.253 15.422 1.643 1.00 0.00 H new ATOM 39 N MET A 82 17.614 18.044 -0.205 1.00 0.00 N ATOM 40 CA MET A 82 16.924 17.000 -0.952 1.00 0.00 C ATOM 41 C MET A 82 17.827 16.419 -2.037 1.00 0.00 C ATOM 42 O MET A 82 18.526 17.153 -2.735 1.00 0.00 O ATOM 43 CB MET A 82 15.641 17.555 -1.578 1.00 0.00 C ATOM 44 CG MET A 82 14.406 16.725 -1.268 1.00 0.00 C ATOM 45 SD MET A 82 12.945 17.297 -2.157 1.00 0.00 S ATOM 46 CE MET A 82 13.238 16.595 -3.778 1.00 0.00 C ATOM 0 H MET A 82 17.477 18.986 -0.572 1.00 0.00 H new ATOM 0 HA MET A 82 16.664 16.201 -0.257 1.00 0.00 H new ATOM 0 HB2 MET A 82 15.483 18.573 -1.222 1.00 0.00 H new ATOM 0 HB3 MET A 82 15.769 17.612 -2.659 1.00 0.00 H new ATOM 0 HG2 MET A 82 14.599 15.684 -1.525 1.00 0.00 H new ATOM 0 HG3 MET A 82 14.210 16.758 -0.196 1.00 0.00 H new ATOM 0 HE1 MET A 82 13.048 17.350 -4.541 1.00 0.00 H new ATOM 0 HE2 MET A 82 14.273 16.261 -3.848 1.00 0.00 H new ATOM 0 HE3 MET A 82 12.572 15.746 -3.933 1.00 0.00 H new ATOM 56 N ASP A 83 17.805 15.097 -2.172 1.00 0.00 N ATOM 57 CA ASP A 83 18.622 14.418 -3.171 1.00 0.00 C ATOM 58 C ASP A 83 18.044 14.615 -4.572 1.00 0.00 C ATOM 59 O ASP A 83 16.951 14.133 -4.872 1.00 0.00 O ATOM 60 CB ASP A 83 18.714 12.925 -2.852 1.00 0.00 C ATOM 61 CG ASP A 83 19.669 12.635 -1.711 1.00 0.00 C ATOM 62 OD1 ASP A 83 19.409 13.107 -0.584 1.00 0.00 O ATOM 63 OD2 ASP A 83 20.678 11.936 -1.944 1.00 0.00 O ATOM 0 H ASP A 83 17.231 14.475 -1.603 1.00 0.00 H new ATOM 0 HA ASP A 83 19.621 14.852 -3.145 1.00 0.00 H new ATOM 0 HB2 ASP A 83 17.723 12.549 -2.597 1.00 0.00 H new ATOM 0 HB3 ASP A 83 19.040 12.386 -3.741 1.00 0.00 H new ATOM 68 N PRO A 84 18.769 15.329 -5.454 1.00 0.00 N ATOM 69 CA PRO A 84 18.313 15.582 -6.826 1.00 0.00 C ATOM 70 C PRO A 84 18.337 14.326 -7.694 1.00 0.00 C ATOM 71 O PRO A 84 17.831 14.329 -8.816 1.00 0.00 O ATOM 72 CB PRO A 84 19.316 16.612 -7.350 1.00 0.00 C ATOM 73 CG PRO A 84 20.550 16.377 -6.550 1.00 0.00 C ATOM 74 CD PRO A 84 20.084 15.944 -5.188 1.00 0.00 C ATOM 0 HA PRO A 84 17.277 15.921 -6.851 1.00 0.00 H new ATOM 0 HB2 PRO A 84 19.503 16.477 -8.415 1.00 0.00 H new ATOM 0 HB3 PRO A 84 18.946 17.629 -7.218 1.00 0.00 H new ATOM 0 HG2 PRO A 84 21.174 15.611 -7.011 1.00 0.00 H new ATOM 0 HG3 PRO A 84 21.152 17.283 -6.487 1.00 0.00 H new ATOM 0 HD2 PRO A 84 20.775 15.234 -4.734 1.00 0.00 H new ATOM 0 HD3 PRO A 84 20.001 16.789 -4.505 1.00 0.00 H new ATOM 82 N ALA A 85 18.927 13.254 -7.173 1.00 0.00 N ATOM 83 CA ALA A 85 19.012 11.998 -7.907 1.00 0.00 C ATOM 84 C ALA A 85 17.896 11.043 -7.498 1.00 0.00 C ATOM 85 O ALA A 85 18.023 9.827 -7.643 1.00 0.00 O ATOM 86 CB ALA A 85 20.371 11.350 -7.686 1.00 0.00 C ATOM 0 H ALA A 85 19.353 13.231 -6.246 1.00 0.00 H new ATOM 0 HA ALA A 85 18.893 12.218 -8.968 1.00 0.00 H new ATOM 0 HB1 ALA A 85 20.421 10.413 -8.240 1.00 0.00 H new ATOM 0 HB2 ALA A 85 21.155 12.021 -8.036 1.00 0.00 H new ATOM 0 HB3 ALA A 85 20.511 11.152 -6.623 1.00 0.00 H new ATOM 92 N GLN A 86 16.800 11.598 -6.988 1.00 0.00 N ATOM 93 CA GLN A 86 15.663 10.791 -6.563 1.00 0.00 C ATOM 94 C GLN A 86 14.571 10.782 -7.629 1.00 0.00 C ATOM 95 O GLN A 86 13.406 10.512 -7.335 1.00 0.00 O ATOM 96 CB GLN A 86 15.098 11.322 -5.244 1.00 0.00 C ATOM 97 CG GLN A 86 16.079 11.244 -4.086 1.00 0.00 C ATOM 98 CD GLN A 86 15.441 11.598 -2.757 1.00 0.00 C ATOM 99 OE1 GLN A 86 15.639 10.909 -1.757 1.00 0.00 O ATOM 100 NE2 GLN A 86 14.669 12.679 -2.741 1.00 0.00 N ATOM 0 H GLN A 86 16.676 12.602 -6.860 1.00 0.00 H new ATOM 0 HA GLN A 86 16.011 9.769 -6.417 1.00 0.00 H new ATOM 0 HB2 GLN A 86 14.792 12.359 -5.381 1.00 0.00 H new ATOM 0 HB3 GLN A 86 14.202 10.757 -4.989 1.00 0.00 H new ATOM 0 HG2 GLN A 86 16.490 10.236 -4.030 1.00 0.00 H new ATOM 0 HG3 GLN A 86 16.914 11.919 -4.276 1.00 0.00 H new ATOM 0 HE21 GLN A 86 14.533 13.221 -3.594 1.00 0.00 H new ATOM 0 HE22 GLN A 86 14.213 12.967 -1.875 1.00 0.00 H new ATOM 109 N LEU A 87 14.953 11.077 -8.868 1.00 0.00 N ATOM 110 CA LEU A 87 14.004 11.100 -9.974 1.00 0.00 C ATOM 111 C LEU A 87 13.691 9.685 -10.449 1.00 0.00 C ATOM 112 O LEU A 87 12.528 9.311 -10.594 1.00 0.00 O ATOM 113 CB LEU A 87 14.560 11.930 -11.134 1.00 0.00 C ATOM 114 CG LEU A 87 14.163 13.407 -11.122 1.00 0.00 C ATOM 115 CD1 LEU A 87 12.660 13.558 -11.299 1.00 0.00 C ATOM 116 CD2 LEU A 87 14.620 14.070 -9.832 1.00 0.00 C ATOM 0 H LEU A 87 15.912 11.303 -9.130 1.00 0.00 H new ATOM 0 HA LEU A 87 13.081 11.558 -9.620 1.00 0.00 H new ATOM 0 HB2 LEU A 87 15.648 11.862 -11.121 1.00 0.00 H new ATOM 0 HB3 LEU A 87 14.224 11.487 -12.072 1.00 0.00 H new ATOM 0 HG LEU A 87 14.657 13.904 -11.957 1.00 0.00 H new ATOM 0 HD11 LEU A 87 12.397 14.616 -11.288 1.00 0.00 H new ATOM 0 HD12 LEU A 87 12.360 13.119 -12.251 1.00 0.00 H new ATOM 0 HD13 LEU A 87 12.145 13.047 -10.486 1.00 0.00 H new ATOM 0 HD21 LEU A 87 14.329 15.121 -9.840 1.00 0.00 H new ATOM 0 HD22 LEU A 87 14.155 13.571 -8.982 1.00 0.00 H new ATOM 0 HD23 LEU A 87 15.704 13.994 -9.748 1.00 0.00 H new ATOM 128 N THR A 88 14.738 8.902 -10.688 1.00 0.00 N ATOM 129 CA THR A 88 14.576 7.527 -11.146 1.00 0.00 C ATOM 130 C THR A 88 13.924 6.669 -10.068 1.00 0.00 C ATOM 131 O THR A 88 12.966 5.943 -10.335 1.00 0.00 O ATOM 132 CB THR A 88 15.930 6.934 -11.539 1.00 0.00 C ATOM 133 OG1 THR A 88 16.737 7.907 -12.178 1.00 0.00 O ATOM 134 CG2 THR A 88 15.816 5.748 -12.471 1.00 0.00 C ATOM 0 H THR A 88 15.708 9.196 -10.572 1.00 0.00 H new ATOM 0 HA THR A 88 13.925 7.536 -12.021 1.00 0.00 H new ATOM 0 HB THR A 88 16.381 6.599 -10.605 1.00 0.00 H new ATOM 0 HG1 THR A 88 17.599 7.509 -12.420 1.00 0.00 H new ATOM 0 HG21 THR A 88 16.812 5.376 -12.710 1.00 0.00 H new ATOM 0 HG22 THR A 88 15.240 4.959 -11.987 1.00 0.00 H new ATOM 0 HG23 THR A 88 15.313 6.053 -13.389 1.00 0.00 H new ATOM 142 N GLU A 89 14.444 6.759 -8.847 1.00 0.00 N ATOM 143 CA GLU A 89 13.904 5.990 -7.729 1.00 0.00 C ATOM 144 C GLU A 89 12.405 6.233 -7.582 1.00 0.00 C ATOM 145 O GLU A 89 11.663 5.357 -7.141 1.00 0.00 O ATOM 146 CB GLU A 89 14.622 6.353 -6.429 1.00 0.00 C ATOM 147 CG GLU A 89 16.131 6.468 -6.575 1.00 0.00 C ATOM 148 CD GLU A 89 16.850 6.429 -5.241 1.00 0.00 C ATOM 149 OE1 GLU A 89 16.262 5.920 -4.264 1.00 0.00 O ATOM 150 OE2 GLU A 89 18.001 6.909 -5.173 1.00 0.00 O ATOM 0 H GLU A 89 15.236 7.355 -8.607 1.00 0.00 H new ATOM 0 HA GLU A 89 14.068 4.933 -7.936 1.00 0.00 H new ATOM 0 HB2 GLU A 89 14.229 7.300 -6.059 1.00 0.00 H new ATOM 0 HB3 GLU A 89 14.395 5.598 -5.676 1.00 0.00 H new ATOM 0 HG2 GLU A 89 16.495 5.655 -7.203 1.00 0.00 H new ATOM 0 HG3 GLU A 89 16.373 7.399 -7.087 1.00 0.00 H new ATOM 157 N ASP A 90 11.967 7.426 -7.968 1.00 0.00 N ATOM 158 CA ASP A 90 10.555 7.774 -7.892 1.00 0.00 C ATOM 159 C ASP A 90 9.778 7.024 -8.969 1.00 0.00 C ATOM 160 O ASP A 90 8.736 6.427 -8.701 1.00 0.00 O ATOM 161 CB ASP A 90 10.366 9.284 -8.059 1.00 0.00 C ATOM 162 CG ASP A 90 9.416 9.865 -7.031 1.00 0.00 C ATOM 163 OD1 ASP A 90 8.201 9.592 -7.123 1.00 0.00 O ATOM 164 OD2 ASP A 90 9.888 10.594 -6.133 1.00 0.00 O ATOM 0 H ASP A 90 12.567 8.165 -8.335 1.00 0.00 H new ATOM 0 HA ASP A 90 10.175 7.485 -6.912 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.333 9.780 -7.977 1.00 0.00 H new ATOM 0 HB3 ASP A 90 9.986 9.491 -9.059 1.00 0.00 H new ATOM 169 N ILE A 91 10.304 7.062 -10.189 1.00 0.00 N ATOM 170 CA ILE A 91 9.678 6.389 -11.319 1.00 0.00 C ATOM 171 C ILE A 91 9.583 4.883 -11.083 1.00 0.00 C ATOM 172 O ILE A 91 8.539 4.273 -11.316 1.00 0.00 O ATOM 173 CB ILE A 91 10.466 6.643 -12.622 1.00 0.00 C ATOM 174 CG1 ILE A 91 10.572 8.144 -12.897 1.00 0.00 C ATOM 175 CG2 ILE A 91 9.808 5.930 -13.795 1.00 0.00 C ATOM 176 CD1 ILE A 91 9.236 8.810 -13.140 1.00 0.00 C ATOM 0 H ILE A 91 11.167 7.555 -10.420 1.00 0.00 H new ATOM 0 HA ILE A 91 8.673 6.800 -11.418 1.00 0.00 H new ATOM 0 HB ILE A 91 11.472 6.242 -12.500 1.00 0.00 H new ATOM 0 HG12 ILE A 91 11.061 8.627 -12.051 1.00 0.00 H new ATOM 0 HG13 ILE A 91 11.211 8.302 -13.766 1.00 0.00 H new ATOM 0 HG21 ILE A 91 10.379 6.122 -14.704 1.00 0.00 H new ATOM 0 HG22 ILE A 91 9.783 4.858 -13.601 1.00 0.00 H new ATOM 0 HG23 ILE A 91 8.790 6.300 -13.921 1.00 0.00 H new ATOM 0 HD11 ILE A 91 9.388 9.873 -13.328 1.00 0.00 H new ATOM 0 HD12 ILE A 91 8.754 8.354 -14.005 1.00 0.00 H new ATOM 0 HD13 ILE A 91 8.602 8.684 -12.263 1.00 0.00 H new ATOM 188 N THR A 92 10.682 4.289 -10.628 1.00 0.00 N ATOM 189 CA THR A 92 10.720 2.854 -10.372 1.00 0.00 C ATOM 190 C THR A 92 9.727 2.458 -9.280 1.00 0.00 C ATOM 191 O THR A 92 8.955 1.517 -9.450 1.00 0.00 O ATOM 192 CB THR A 92 12.140 2.413 -9.992 1.00 0.00 C ATOM 193 OG1 THR A 92 12.248 1.001 -10.016 1.00 0.00 O ATOM 194 CG2 THR A 92 12.575 2.880 -8.622 1.00 0.00 C ATOM 0 H THR A 92 11.555 4.778 -10.430 1.00 0.00 H new ATOM 0 HA THR A 92 10.429 2.343 -11.290 1.00 0.00 H new ATOM 0 HB THR A 92 12.789 2.877 -10.735 1.00 0.00 H new ATOM 0 HG1 THR A 92 13.160 0.739 -9.773 1.00 0.00 H new ATOM 0 HG21 THR A 92 13.588 2.531 -8.423 1.00 0.00 H new ATOM 0 HG22 THR A 92 12.553 3.969 -8.585 1.00 0.00 H new ATOM 0 HG23 THR A 92 11.898 2.478 -7.868 1.00 0.00 H new ATOM 202 N ARG A 93 9.765 3.165 -8.152 1.00 0.00 N ATOM 203 CA ARG A 93 8.884 2.866 -7.027 1.00 0.00 C ATOM 204 C ARG A 93 7.418 2.848 -7.450 1.00 0.00 C ATOM 205 O ARG A 93 6.683 1.917 -7.122 1.00 0.00 O ATOM 206 CB ARG A 93 9.093 3.898 -5.919 1.00 0.00 C ATOM 207 CG ARG A 93 9.007 3.318 -4.516 1.00 0.00 C ATOM 208 CD ARG A 93 9.265 4.381 -3.459 1.00 0.00 C ATOM 209 NE ARG A 93 10.098 3.881 -2.368 1.00 0.00 N ATOM 210 CZ ARG A 93 11.397 3.616 -2.487 1.00 0.00 C ATOM 211 NH1 ARG A 93 12.016 3.802 -3.647 1.00 0.00 N ATOM 212 NH2 ARG A 93 12.080 3.163 -1.445 1.00 0.00 N ATOM 0 H ARG A 93 10.397 3.949 -7.994 1.00 0.00 H new ATOM 0 HA ARG A 93 9.136 1.872 -6.657 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.069 4.365 -6.050 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.346 4.685 -6.023 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.021 2.881 -4.361 1.00 0.00 H new ATOM 0 HG3 ARG A 93 9.733 2.512 -4.409 1.00 0.00 H new ATOM 0 HD2 ARG A 93 9.751 5.240 -3.921 1.00 0.00 H new ATOM 0 HD3 ARG A 93 8.314 4.730 -3.057 1.00 0.00 H new ATOM 0 HE ARG A 93 9.658 3.726 -1.461 1.00 0.00 H new ATOM 0 HH11 ARG A 93 11.496 4.150 -4.453 1.00 0.00 H new ATOM 0 HH12 ARG A 93 13.012 3.597 -3.732 1.00 0.00 H new ATOM 0 HH21 ARG A 93 11.610 3.017 -0.551 1.00 0.00 H new ATOM 0 HH22 ARG A 93 13.075 2.960 -1.537 1.00 0.00 H new ATOM 226 N TYR A 94 6.994 3.875 -8.178 1.00 0.00 N ATOM 227 CA TYR A 94 5.611 3.958 -8.638 1.00 0.00 C ATOM 228 C TYR A 94 5.242 2.736 -9.476 1.00 0.00 C ATOM 229 O TYR A 94 4.258 2.050 -9.196 1.00 0.00 O ATOM 230 CB TYR A 94 5.399 5.234 -9.455 1.00 0.00 C ATOM 231 CG TYR A 94 3.966 5.440 -9.893 1.00 0.00 C ATOM 232 CD1 TYR A 94 2.916 5.263 -9.001 1.00 0.00 C ATOM 233 CD2 TYR A 94 3.665 5.811 -11.197 1.00 0.00 C ATOM 234 CE1 TYR A 94 1.605 5.449 -9.398 1.00 0.00 C ATOM 235 CE2 TYR A 94 2.357 6.000 -11.601 1.00 0.00 C ATOM 236 CZ TYR A 94 1.331 5.818 -10.698 1.00 0.00 C ATOM 237 OH TYR A 94 0.027 6.005 -11.096 1.00 0.00 O ATOM 0 H TYR A 94 7.583 4.658 -8.461 1.00 0.00 H new ATOM 0 HA TYR A 94 4.964 3.984 -7.762 1.00 0.00 H new ATOM 0 HB2 TYR A 94 5.716 6.092 -8.862 1.00 0.00 H new ATOM 0 HB3 TYR A 94 6.039 5.202 -10.337 1.00 0.00 H new ATOM 0 HD1 TYR A 94 3.127 4.976 -7.982 1.00 0.00 H new ATOM 0 HD2 TYR A 94 4.466 5.954 -11.907 1.00 0.00 H new ATOM 0 HE1 TYR A 94 0.799 5.306 -8.693 1.00 0.00 H new ATOM 0 HE2 TYR A 94 2.140 6.289 -12.619 1.00 0.00 H new ATOM 0 HH TYR A 94 0.007 6.264 -12.041 1.00 0.00 H new ATOM 247 N TYR A 95 6.040 2.472 -10.506 1.00 0.00 N ATOM 248 CA TYR A 95 5.802 1.336 -11.389 1.00 0.00 C ATOM 249 C TYR A 95 5.924 0.014 -10.636 1.00 0.00 C ATOM 250 O TYR A 95 5.290 -0.977 -11.000 1.00 0.00 O ATOM 251 CB TYR A 95 6.784 1.363 -12.561 1.00 0.00 C ATOM 252 CG TYR A 95 6.508 2.468 -13.556 1.00 0.00 C ATOM 253 CD1 TYR A 95 5.218 2.714 -14.009 1.00 0.00 C ATOM 254 CD2 TYR A 95 7.537 3.265 -14.041 1.00 0.00 C ATOM 255 CE1 TYR A 95 4.962 3.723 -14.918 1.00 0.00 C ATOM 256 CE2 TYR A 95 7.289 4.276 -14.949 1.00 0.00 C ATOM 257 CZ TYR A 95 6.000 4.501 -15.385 1.00 0.00 C ATOM 258 OH TYR A 95 5.748 5.507 -16.289 1.00 0.00 O ATOM 0 H TYR A 95 6.858 3.030 -10.750 1.00 0.00 H new ATOM 0 HA TYR A 95 4.784 1.416 -11.771 1.00 0.00 H new ATOM 0 HB2 TYR A 95 7.796 1.479 -12.174 1.00 0.00 H new ATOM 0 HB3 TYR A 95 6.748 0.403 -13.077 1.00 0.00 H new ATOM 0 HD1 TYR A 95 4.402 2.107 -13.645 1.00 0.00 H new ATOM 0 HD2 TYR A 95 8.548 3.091 -13.703 1.00 0.00 H new ATOM 0 HE1 TYR A 95 3.954 3.901 -15.261 1.00 0.00 H new ATOM 0 HE2 TYR A 95 8.100 4.887 -15.316 1.00 0.00 H new ATOM 0 HH TYR A 95 6.587 5.961 -16.516 1.00 0.00 H new ATOM 268 N LEU A 96 6.739 0.003 -9.586 1.00 0.00 N ATOM 269 CA LEU A 96 6.938 -1.201 -8.788 1.00 0.00 C ATOM 270 C LEU A 96 5.672 -1.553 -8.016 1.00 0.00 C ATOM 271 O LEU A 96 5.152 -2.663 -8.127 1.00 0.00 O ATOM 272 CB LEU A 96 8.103 -1.007 -7.815 1.00 0.00 C ATOM 273 CG LEU A 96 9.017 -2.220 -7.650 1.00 0.00 C ATOM 274 CD1 LEU A 96 9.584 -2.648 -8.994 1.00 0.00 C ATOM 275 CD2 LEU A 96 10.139 -1.910 -6.671 1.00 0.00 C ATOM 0 H LEU A 96 7.271 0.813 -9.269 1.00 0.00 H new ATOM 0 HA LEU A 96 7.172 -2.022 -9.465 1.00 0.00 H new ATOM 0 HB2 LEU A 96 8.703 -0.163 -8.154 1.00 0.00 H new ATOM 0 HB3 LEU A 96 7.700 -0.739 -6.838 1.00 0.00 H new ATOM 0 HG LEU A 96 8.427 -3.044 -7.249 1.00 0.00 H new ATOM 0 HD11 LEU A 96 10.233 -3.513 -8.856 1.00 0.00 H new ATOM 0 HD12 LEU A 96 8.767 -2.910 -9.667 1.00 0.00 H new ATOM 0 HD13 LEU A 96 10.159 -1.828 -9.424 1.00 0.00 H new ATOM 0 HD21 LEU A 96 10.781 -2.784 -6.565 1.00 0.00 H new ATOM 0 HD22 LEU A 96 10.727 -1.072 -7.045 1.00 0.00 H new ATOM 0 HD23 LEU A 96 9.714 -1.652 -5.701 1.00 0.00 H new ATOM 287 N CYS A 97 5.182 -0.598 -7.233 1.00 0.00 N ATOM 288 CA CYS A 97 3.974 -0.802 -6.442 1.00 0.00 C ATOM 289 C CYS A 97 2.817 -1.253 -7.326 1.00 0.00 C ATOM 290 O CYS A 97 2.066 -2.161 -6.967 1.00 0.00 O ATOM 291 CB CYS A 97 3.598 0.486 -5.706 1.00 0.00 C ATOM 292 SG CYS A 97 4.913 1.147 -4.656 1.00 0.00 S ATOM 0 H CYS A 97 5.603 0.325 -7.129 1.00 0.00 H new ATOM 0 HA CYS A 97 4.175 -1.584 -5.710 1.00 0.00 H new ATOM 0 HB2 CYS A 97 3.319 1.242 -6.439 1.00 0.00 H new ATOM 0 HB3 CYS A 97 2.718 0.297 -5.092 1.00 0.00 H new ATOM 0 HG CYS A 97 5.884 1.586 -5.401 1.00 0.00 H new ATOM 298 N LEU A 98 2.680 -0.616 -8.484 1.00 0.00 N ATOM 299 CA LEU A 98 1.614 -0.956 -9.420 1.00 0.00 C ATOM 300 C LEU A 98 1.717 -2.415 -9.856 1.00 0.00 C ATOM 301 O LEU A 98 0.718 -3.134 -9.894 1.00 0.00 O ATOM 302 CB LEU A 98 1.671 -0.041 -10.645 1.00 0.00 C ATOM 303 CG LEU A 98 1.399 1.438 -10.361 1.00 0.00 C ATOM 304 CD1 LEU A 98 1.724 2.284 -11.582 1.00 0.00 C ATOM 305 CD2 LEU A 98 -0.048 1.641 -9.939 1.00 0.00 C ATOM 0 H LEU A 98 3.292 0.137 -8.797 1.00 0.00 H new ATOM 0 HA LEU A 98 0.660 -0.813 -8.912 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.656 -0.132 -11.102 1.00 0.00 H new ATOM 0 HB3 LEU A 98 0.945 -0.394 -11.378 1.00 0.00 H new ATOM 0 HG LEU A 98 2.044 1.757 -9.542 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.525 3.333 -11.362 1.00 0.00 H new ATOM 0 HD12 LEU A 98 2.776 2.161 -11.840 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.105 1.965 -12.421 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.224 2.698 -9.741 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.710 1.306 -10.737 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.248 1.064 -9.036 1.00 0.00 H new ATOM 317 N GLN A 99 2.931 -2.847 -10.185 1.00 0.00 N ATOM 318 CA GLN A 99 3.162 -4.221 -10.619 1.00 0.00 C ATOM 319 C GLN A 99 2.901 -5.206 -9.482 1.00 0.00 C ATOM 320 O GLN A 99 2.197 -6.200 -9.660 1.00 0.00 O ATOM 321 CB GLN A 99 4.596 -4.380 -11.131 1.00 0.00 C ATOM 322 CG GLN A 99 4.693 -5.157 -12.434 1.00 0.00 C ATOM 323 CD GLN A 99 6.125 -5.473 -12.819 1.00 0.00 C ATOM 324 OE1 GLN A 99 6.968 -4.580 -12.907 1.00 0.00 O ATOM 325 NE2 GLN A 99 6.408 -6.750 -13.050 1.00 0.00 N ATOM 0 H GLN A 99 3.769 -2.266 -10.159 1.00 0.00 H new ATOM 0 HA GLN A 99 2.467 -4.441 -11.429 1.00 0.00 H new ATOM 0 HB2 GLN A 99 5.034 -3.392 -11.273 1.00 0.00 H new ATOM 0 HB3 GLN A 99 5.191 -4.886 -10.370 1.00 0.00 H new ATOM 0 HG2 GLN A 99 4.132 -6.087 -12.341 1.00 0.00 H new ATOM 0 HG3 GLN A 99 4.225 -4.581 -13.232 1.00 0.00 H new ATOM 0 HE21 GLN A 99 5.678 -7.457 -12.965 1.00 0.00 H new ATOM 0 HE22 GLN A 99 7.355 -7.023 -13.312 1.00 0.00 H new ATOM 334 N LEU A 100 3.470 -4.921 -8.315 1.00 0.00 N ATOM 335 CA LEU A 100 3.296 -5.781 -7.150 1.00 0.00 C ATOM 336 C LEU A 100 1.824 -5.867 -6.756 1.00 0.00 C ATOM 337 O LEU A 100 1.315 -6.943 -6.443 1.00 0.00 O ATOM 338 CB LEU A 100 4.128 -5.255 -5.976 1.00 0.00 C ATOM 339 CG LEU A 100 5.343 -6.109 -5.610 1.00 0.00 C ATOM 340 CD1 LEU A 100 6.276 -5.344 -4.684 1.00 0.00 C ATOM 341 CD2 LEU A 100 4.900 -7.415 -4.967 1.00 0.00 C ATOM 0 H LEU A 100 4.055 -4.102 -8.151 1.00 0.00 H new ATOM 0 HA LEU A 100 3.641 -6.782 -7.408 1.00 0.00 H new ATOM 0 HB2 LEU A 100 4.470 -4.248 -6.215 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.483 -5.174 -5.101 1.00 0.00 H new ATOM 0 HG LEU A 100 5.888 -6.343 -6.524 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.134 -5.968 -4.435 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.619 -4.437 -5.182 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.744 -5.078 -3.771 1.00 0.00 H new ATOM 0 HD21 LEU A 100 5.776 -8.011 -4.713 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.332 -7.201 -4.062 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.274 -7.970 -5.665 1.00 0.00 H new ATOM 353 N ARG A 101 1.148 -4.724 -6.774 1.00 0.00 N ATOM 354 CA ARG A 101 -0.265 -4.661 -6.419 1.00 0.00 C ATOM 355 C ARG A 101 -1.125 -5.397 -7.443 1.00 0.00 C ATOM 356 O ARG A 101 -2.195 -5.908 -7.114 1.00 0.00 O ATOM 357 CB ARG A 101 -0.720 -3.204 -6.309 1.00 0.00 C ATOM 358 CG ARG A 101 -1.849 -2.993 -5.313 1.00 0.00 C ATOM 359 CD ARG A 101 -3.197 -2.901 -6.010 1.00 0.00 C ATOM 360 NE ARG A 101 -4.069 -1.909 -5.385 1.00 0.00 N ATOM 361 CZ ARG A 101 -3.968 -0.598 -5.593 1.00 0.00 C ATOM 362 NH1 ARG A 101 -3.036 -0.117 -6.407 1.00 0.00 N ATOM 363 NH2 ARG A 101 -4.802 0.236 -4.986 1.00 0.00 N ATOM 0 H ARG A 101 1.557 -3.826 -7.031 1.00 0.00 H new ATOM 0 HA ARG A 101 -0.389 -5.150 -5.453 1.00 0.00 H new ATOM 0 HB2 ARG A 101 0.130 -2.587 -6.018 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -1.043 -2.858 -7.291 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -1.863 -3.816 -4.598 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -1.669 -2.080 -4.745 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -3.046 -2.642 -7.058 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -3.684 -3.876 -5.989 1.00 0.00 H new ATOM 0 HE ARG A 101 -4.797 -2.240 -4.753 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -2.392 -0.753 -6.877 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -2.964 0.889 -6.562 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -5.521 -0.127 -4.360 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -4.725 1.241 -5.145 1.00 0.00 H new ATOM 377 N GLN A 102 -0.652 -5.447 -8.685 1.00 0.00 N ATOM 378 CA GLN A 102 -1.382 -6.120 -9.754 1.00 0.00 C ATOM 379 C GLN A 102 -1.350 -7.636 -9.576 1.00 0.00 C ATOM 380 O GLN A 102 -2.357 -8.315 -9.781 1.00 0.00 O ATOM 381 CB GLN A 102 -0.792 -5.744 -11.115 1.00 0.00 C ATOM 382 CG GLN A 102 -1.434 -4.514 -11.736 1.00 0.00 C ATOM 383 CD GLN A 102 -1.315 -4.496 -13.247 1.00 0.00 C ATOM 384 OE1 GLN A 102 -1.473 -5.523 -13.907 1.00 0.00 O ATOM 385 NE2 GLN A 102 -1.035 -3.323 -13.804 1.00 0.00 N ATOM 0 H GLN A 102 0.232 -5.030 -8.975 1.00 0.00 H new ATOM 0 HA GLN A 102 -2.421 -5.792 -9.708 1.00 0.00 H new ATOM 0 HB2 GLN A 102 0.278 -5.568 -11.002 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -0.906 -6.587 -11.797 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -2.487 -4.478 -11.457 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -0.966 -3.619 -11.327 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -0.912 -2.497 -13.219 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -0.943 -3.248 -14.817 1.00 0.00 H new ATOM 394 N ASP A 103 -0.188 -8.161 -9.203 1.00 0.00 N ATOM 395 CA ASP A 103 -0.027 -9.598 -9.007 1.00 0.00 C ATOM 396 C ASP A 103 -0.774 -10.074 -7.765 1.00 0.00 C ATOM 397 O ASP A 103 -1.405 -11.131 -7.776 1.00 0.00 O ATOM 398 CB ASP A 103 1.457 -9.953 -8.889 1.00 0.00 C ATOM 399 CG ASP A 103 2.195 -9.796 -10.204 1.00 0.00 C ATOM 400 OD1 ASP A 103 1.942 -8.798 -10.911 1.00 0.00 O ATOM 401 OD2 ASP A 103 3.027 -10.670 -10.526 1.00 0.00 O ATOM 0 H ASP A 103 0.656 -7.614 -9.030 1.00 0.00 H new ATOM 0 HA ASP A 103 -0.451 -10.103 -9.875 1.00 0.00 H new ATOM 0 HB2 ASP A 103 1.922 -9.316 -8.136 1.00 0.00 H new ATOM 0 HB3 ASP A 103 1.555 -10.981 -8.541 1.00 0.00 H new ATOM 406 N ILE A 104 -0.694 -9.293 -6.694 1.00 0.00 N ATOM 407 CA ILE A 104 -1.358 -9.641 -5.443 1.00 0.00 C ATOM 408 C ILE A 104 -2.874 -9.694 -5.613 1.00 0.00 C ATOM 409 O ILE A 104 -3.511 -10.688 -5.262 1.00 0.00 O ATOM 410 CB ILE A 104 -1.009 -8.639 -4.324 1.00 0.00 C ATOM 411 CG1 ILE A 104 0.508 -8.513 -4.178 1.00 0.00 C ATOM 412 CG2 ILE A 104 -1.636 -9.072 -3.006 1.00 0.00 C ATOM 413 CD1 ILE A 104 0.960 -7.146 -3.713 1.00 0.00 C ATOM 0 H ILE A 104 -0.176 -8.415 -6.667 1.00 0.00 H new ATOM 0 HA ILE A 104 -0.997 -10.630 -5.161 1.00 0.00 H new ATOM 0 HB ILE A 104 -1.414 -7.664 -4.594 1.00 0.00 H new ATOM 0 HG12 ILE A 104 0.860 -9.263 -3.470 1.00 0.00 H new ATOM 0 HG13 ILE A 104 0.977 -8.735 -5.137 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -1.379 -8.353 -2.228 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -2.720 -9.117 -3.116 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -1.259 -10.057 -2.730 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.047 -7.130 -3.632 1.00 0.00 H new ATOM 0 HD12 ILE A 104 0.639 -6.392 -4.432 1.00 0.00 H new ATOM 0 HD13 ILE A 104 0.520 -6.929 -2.739 1.00 0.00 H new ATOM 425 N VAL A 105 -3.450 -8.621 -6.146 1.00 0.00 N ATOM 426 CA VAL A 105 -4.892 -8.549 -6.353 1.00 0.00 C ATOM 427 C VAL A 105 -5.391 -9.686 -7.238 1.00 0.00 C ATOM 428 O VAL A 105 -6.513 -10.164 -7.074 1.00 0.00 O ATOM 429 CB VAL A 105 -5.300 -7.207 -6.989 1.00 0.00 C ATOM 430 CG1 VAL A 105 -4.957 -6.052 -6.064 1.00 0.00 C ATOM 431 CG2 VAL A 105 -4.632 -7.030 -8.344 1.00 0.00 C ATOM 0 H VAL A 105 -2.940 -7.789 -6.443 1.00 0.00 H new ATOM 0 HA VAL A 105 -5.351 -8.637 -5.368 1.00 0.00 H new ATOM 0 HB VAL A 105 -6.379 -7.213 -7.141 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -5.253 -5.112 -6.530 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -5.489 -6.172 -5.120 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -3.883 -6.042 -5.877 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -4.933 -6.076 -8.776 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -3.549 -7.047 -8.221 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -4.934 -7.840 -9.007 1.00 0.00 H new ATOM 441 N ALA A 106 -4.554 -10.114 -8.176 1.00 0.00 N ATOM 442 CA ALA A 106 -4.918 -11.194 -9.085 1.00 0.00 C ATOM 443 C ALA A 106 -4.750 -12.563 -8.428 1.00 0.00 C ATOM 444 O ALA A 106 -5.044 -13.591 -9.039 1.00 0.00 O ATOM 445 CB ALA A 106 -4.085 -11.111 -10.356 1.00 0.00 C ATOM 0 H ALA A 106 -3.621 -9.731 -8.327 1.00 0.00 H new ATOM 0 HA ALA A 106 -5.972 -11.077 -9.339 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -4.365 -11.922 -11.028 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -4.265 -10.155 -10.847 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -3.028 -11.197 -10.104 1.00 0.00 H new ATOM 451 N GLY A 107 -4.274 -12.576 -7.185 1.00 0.00 N ATOM 452 CA GLY A 107 -4.077 -13.831 -6.484 1.00 0.00 C ATOM 453 C GLY A 107 -2.959 -14.654 -7.089 1.00 0.00 C ATOM 454 O GLY A 107 -3.050 -15.879 -7.166 1.00 0.00 O ATOM 0 H GLY A 107 -4.022 -11.742 -6.654 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -3.852 -13.629 -5.437 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -5.002 -14.407 -6.506 1.00 0.00 H new ATOM 458 N ARG A 108 -1.901 -13.976 -7.522 1.00 0.00 N ATOM 459 CA ARG A 108 -0.758 -14.647 -8.128 1.00 0.00 C ATOM 460 C ARG A 108 0.328 -14.944 -7.095 1.00 0.00 C ATOM 461 O ARG A 108 1.400 -15.440 -7.441 1.00 0.00 O ATOM 462 CB ARG A 108 -0.180 -13.790 -9.257 1.00 0.00 C ATOM 463 CG ARG A 108 0.516 -14.598 -10.339 1.00 0.00 C ATOM 464 CD ARG A 108 0.282 -14.001 -11.718 1.00 0.00 C ATOM 465 NE ARG A 108 0.775 -14.871 -12.783 1.00 0.00 N ATOM 466 CZ ARG A 108 2.056 -14.958 -13.135 1.00 0.00 C ATOM 467 NH1 ARG A 108 2.974 -14.231 -12.510 1.00 0.00 N ATOM 468 NH2 ARG A 108 2.420 -15.773 -14.115 1.00 0.00 N ATOM 0 H ARG A 108 -1.812 -12.962 -7.464 1.00 0.00 H new ATOM 0 HA ARG A 108 -1.107 -15.596 -8.535 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -0.984 -13.210 -9.709 1.00 0.00 H new ATOM 0 HB3 ARG A 108 0.529 -13.078 -8.835 1.00 0.00 H new ATOM 0 HG2 ARG A 108 1.586 -14.636 -10.135 1.00 0.00 H new ATOM 0 HG3 ARG A 108 0.151 -15.625 -10.319 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -0.784 -13.823 -11.860 1.00 0.00 H new ATOM 0 HD3 ARG A 108 0.778 -13.033 -11.782 1.00 0.00 H new ATOM 0 HE ARG A 108 0.098 -15.445 -13.286 1.00 0.00 H new ATOM 0 HH11 ARG A 108 2.699 -13.602 -11.756 1.00 0.00 H new ATOM 0 HH12 ARG A 108 3.954 -14.302 -12.784 1.00 0.00 H new ATOM 0 HH21 ARG A 108 1.719 -16.333 -14.599 1.00 0.00 H new ATOM 0 HH22 ARG A 108 3.401 -15.840 -14.385 1.00 0.00 H new ATOM 482 N LEU A 109 0.051 -14.642 -5.828 1.00 0.00 N ATOM 483 CA LEU A 109 1.012 -14.883 -4.759 1.00 0.00 C ATOM 484 C LEU A 109 0.294 -15.081 -3.425 1.00 0.00 C ATOM 485 O LEU A 109 -0.256 -14.134 -2.863 1.00 0.00 O ATOM 486 CB LEU A 109 1.992 -13.713 -4.654 1.00 0.00 C ATOM 487 CG LEU A 109 3.397 -14.088 -4.175 1.00 0.00 C ATOM 488 CD1 LEU A 109 4.453 -13.486 -5.089 1.00 0.00 C ATOM 489 CD2 LEU A 109 3.611 -13.633 -2.739 1.00 0.00 C ATOM 0 H LEU A 109 -0.830 -14.231 -5.519 1.00 0.00 H new ATOM 0 HA LEU A 109 1.566 -15.791 -4.995 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.072 -13.237 -5.631 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.577 -12.971 -3.971 1.00 0.00 H new ATOM 0 HG LEU A 109 3.492 -15.173 -4.210 1.00 0.00 H new ATOM 0 HD11 LEU A 109 5.445 -13.764 -4.732 1.00 0.00 H new ATOM 0 HD12 LEU A 109 4.314 -13.862 -6.103 1.00 0.00 H new ATOM 0 HD13 LEU A 109 4.358 -12.400 -5.089 1.00 0.00 H new ATOM 0 HD21 LEU A 109 4.615 -13.908 -2.416 1.00 0.00 H new ATOM 0 HD22 LEU A 109 3.494 -12.551 -2.679 1.00 0.00 H new ATOM 0 HD23 LEU A 109 2.877 -14.113 -2.092 1.00 0.00 H new ATOM 501 N PRO A 110 0.283 -16.320 -2.898 1.00 0.00 N ATOM 502 CA PRO A 110 -0.378 -16.630 -1.625 1.00 0.00 C ATOM 503 C PRO A 110 0.035 -15.681 -0.505 1.00 0.00 C ATOM 504 O PRO A 110 1.223 -15.475 -0.258 1.00 0.00 O ATOM 505 CB PRO A 110 0.091 -18.053 -1.319 1.00 0.00 C ATOM 506 CG PRO A 110 0.397 -18.644 -2.651 1.00 0.00 C ATOM 507 CD PRO A 110 0.910 -17.513 -3.499 1.00 0.00 C ATOM 0 HA PRO A 110 -1.461 -16.528 -1.696 1.00 0.00 H new ATOM 0 HB2 PRO A 110 0.971 -18.050 -0.675 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -0.681 -18.622 -0.801 1.00 0.00 H new ATOM 0 HG2 PRO A 110 1.141 -19.436 -2.565 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -0.493 -19.091 -3.093 1.00 0.00 H new ATOM 0 HD2 PRO A 110 1.998 -17.452 -3.471 1.00 0.00 H new ATOM 0 HD3 PRO A 110 0.624 -17.633 -4.544 1.00 0.00 H new ATOM 515 N CYS A 111 -0.955 -15.107 0.173 1.00 0.00 N ATOM 516 CA CYS A 111 -0.698 -14.182 1.270 1.00 0.00 C ATOM 517 C CYS A 111 -1.736 -14.355 2.375 1.00 0.00 C ATOM 518 O CYS A 111 -2.749 -15.028 2.187 1.00 0.00 O ATOM 519 CB CYS A 111 -0.710 -12.738 0.764 1.00 0.00 C ATOM 520 SG CYS A 111 0.581 -12.371 -0.447 1.00 0.00 S ATOM 0 H CYS A 111 -1.944 -15.267 -0.019 1.00 0.00 H new ATOM 0 HA CYS A 111 0.287 -14.405 1.679 1.00 0.00 H new ATOM 0 HB2 CYS A 111 -1.682 -12.529 0.318 1.00 0.00 H new ATOM 0 HB3 CYS A 111 -0.598 -12.065 1.614 1.00 0.00 H new ATOM 0 HG CYS A 111 0.363 -13.051 -1.533 1.00 0.00 H new ATOM 526 N SER A 112 -1.477 -13.746 3.528 1.00 0.00 N ATOM 527 CA SER A 112 -2.391 -13.839 4.662 1.00 0.00 C ATOM 528 C SER A 112 -3.294 -12.611 4.740 1.00 0.00 C ATOM 529 O SER A 112 -2.985 -11.563 4.173 1.00 0.00 O ATOM 530 CB SER A 112 -1.605 -13.991 5.965 1.00 0.00 C ATOM 531 OG SER A 112 -2.269 -14.863 6.863 1.00 0.00 O ATOM 0 H SER A 112 -0.644 -13.184 3.702 1.00 0.00 H new ATOM 0 HA SER A 112 -3.018 -14.719 4.518 1.00 0.00 H new ATOM 0 HB2 SER A 112 -0.608 -14.376 5.749 1.00 0.00 H new ATOM 0 HB3 SER A 112 -1.475 -13.014 6.431 1.00 0.00 H new ATOM 0 HG SER A 112 -1.745 -14.945 7.687 1.00 0.00 H new ATOM 537 N PHE A 113 -4.411 -12.750 5.449 1.00 0.00 N ATOM 538 CA PHE A 113 -5.361 -11.653 5.606 1.00 0.00 C ATOM 539 C PHE A 113 -4.688 -10.440 6.242 1.00 0.00 C ATOM 540 O PHE A 113 -4.861 -9.311 5.783 1.00 0.00 O ATOM 541 CB PHE A 113 -6.552 -12.105 6.458 1.00 0.00 C ATOM 542 CG PHE A 113 -7.485 -10.989 6.843 1.00 0.00 C ATOM 543 CD1 PHE A 113 -7.169 -10.134 7.887 1.00 0.00 C ATOM 544 CD2 PHE A 113 -8.678 -10.796 6.162 1.00 0.00 C ATOM 545 CE1 PHE A 113 -8.023 -9.108 8.245 1.00 0.00 C ATOM 546 CE2 PHE A 113 -9.536 -9.772 6.516 1.00 0.00 C ATOM 547 CZ PHE A 113 -9.208 -8.927 7.559 1.00 0.00 C ATOM 0 H PHE A 113 -4.680 -13.612 5.924 1.00 0.00 H new ATOM 0 HA PHE A 113 -5.720 -11.366 4.618 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -7.113 -12.861 5.909 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -6.178 -12.581 7.364 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -6.244 -10.271 8.427 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -8.939 -11.453 5.346 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -7.764 -8.449 9.060 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -10.462 -9.632 5.978 1.00 0.00 H new ATOM 0 HZ PHE A 113 -9.877 -8.126 7.837 1.00 0.00 H new ATOM 557 N ALA A 114 -3.932 -10.679 7.309 1.00 0.00 N ATOM 558 CA ALA A 114 -3.249 -9.602 8.015 1.00 0.00 C ATOM 559 C ALA A 114 -2.341 -8.809 7.084 1.00 0.00 C ATOM 560 O ALA A 114 -2.301 -7.581 7.149 1.00 0.00 O ATOM 561 CB ALA A 114 -2.446 -10.157 9.179 1.00 0.00 C ATOM 0 H ALA A 114 -3.777 -11.607 7.703 1.00 0.00 H new ATOM 0 HA ALA A 114 -4.012 -8.924 8.398 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -1.942 -9.340 9.696 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -3.115 -10.667 9.872 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -1.704 -10.863 8.805 1.00 0.00 H new ATOM 567 N THR A 115 -1.617 -9.505 6.212 1.00 0.00 N ATOM 568 CA THR A 115 -0.723 -8.842 5.273 1.00 0.00 C ATOM 569 C THR A 115 -1.525 -8.118 4.200 1.00 0.00 C ATOM 570 O THR A 115 -1.161 -7.026 3.768 1.00 0.00 O ATOM 571 CB THR A 115 0.221 -9.860 4.628 1.00 0.00 C ATOM 572 OG1 THR A 115 1.014 -10.500 5.611 1.00 0.00 O ATOM 573 CG2 THR A 115 1.159 -9.250 3.608 1.00 0.00 C ATOM 0 H THR A 115 -1.633 -10.522 6.137 1.00 0.00 H new ATOM 0 HA THR A 115 -0.128 -8.110 5.819 1.00 0.00 H new ATOM 0 HB THR A 115 -0.429 -10.571 4.118 1.00 0.00 H new ATOM 0 HG1 THR A 115 1.609 -11.148 5.180 1.00 0.00 H new ATOM 0 HG21 THR A 115 1.799 -10.028 3.191 1.00 0.00 H new ATOM 0 HG22 THR A 115 0.578 -8.791 2.808 1.00 0.00 H new ATOM 0 HG23 THR A 115 1.776 -8.491 4.089 1.00 0.00 H new ATOM 581 N LEU A 116 -2.626 -8.733 3.781 1.00 0.00 N ATOM 582 CA LEU A 116 -3.486 -8.141 2.767 1.00 0.00 C ATOM 583 C LEU A 116 -4.037 -6.809 3.258 1.00 0.00 C ATOM 584 O LEU A 116 -4.051 -5.820 2.524 1.00 0.00 O ATOM 585 CB LEU A 116 -4.638 -9.089 2.423 1.00 0.00 C ATOM 586 CG LEU A 116 -4.293 -10.197 1.426 1.00 0.00 C ATOM 587 CD1 LEU A 116 -5.532 -11.008 1.080 1.00 0.00 C ATOM 588 CD2 LEU A 116 -3.671 -9.608 0.168 1.00 0.00 C ATOM 0 H LEU A 116 -2.942 -9.639 4.128 1.00 0.00 H new ATOM 0 HA LEU A 116 -2.894 -7.970 1.868 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -4.996 -9.549 3.344 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -5.462 -8.502 2.019 1.00 0.00 H new ATOM 0 HG LEU A 116 -3.565 -10.863 1.890 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -5.267 -11.791 0.370 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.935 -11.461 1.986 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -6.283 -10.354 0.636 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -3.432 -10.411 -0.530 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -4.376 -8.920 -0.298 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -2.759 -9.071 0.430 1.00 0.00 H new ATOM 600 N ALA A 117 -4.491 -6.791 4.508 1.00 0.00 N ATOM 601 CA ALA A 117 -5.044 -5.586 5.108 1.00 0.00 C ATOM 602 C ALA A 117 -3.947 -4.582 5.448 1.00 0.00 C ATOM 603 O ALA A 117 -4.151 -3.372 5.348 1.00 0.00 O ATOM 604 CB ALA A 117 -5.835 -5.947 6.356 1.00 0.00 C ATOM 0 H ALA A 117 -4.486 -7.603 5.126 1.00 0.00 H new ATOM 0 HA ALA A 117 -5.710 -5.118 4.383 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -6.246 -5.041 6.801 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -6.648 -6.622 6.089 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -5.178 -6.437 7.074 1.00 0.00 H new ATOM 610 N LEU A 118 -2.783 -5.087 5.849 1.00 0.00 N ATOM 611 CA LEU A 118 -1.660 -4.223 6.200 1.00 0.00 C ATOM 612 C LEU A 118 -1.111 -3.520 4.962 1.00 0.00 C ATOM 613 O LEU A 118 -0.971 -2.296 4.940 1.00 0.00 O ATOM 614 CB LEU A 118 -0.554 -5.039 6.872 1.00 0.00 C ATOM 615 CG LEU A 118 0.673 -4.233 7.301 1.00 0.00 C ATOM 616 CD1 LEU A 118 1.235 -4.769 8.609 1.00 0.00 C ATOM 617 CD2 LEU A 118 1.735 -4.260 6.212 1.00 0.00 C ATOM 0 H LEU A 118 -2.594 -6.085 5.939 1.00 0.00 H new ATOM 0 HA LEU A 118 -2.017 -3.466 6.898 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -0.970 -5.534 7.750 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -0.234 -5.823 6.186 1.00 0.00 H new ATOM 0 HG LEU A 118 0.367 -3.199 7.458 1.00 0.00 H new ATOM 0 HD11 LEU A 118 2.107 -4.183 8.898 1.00 0.00 H new ATOM 0 HD12 LEU A 118 0.476 -4.697 9.388 1.00 0.00 H new ATOM 0 HD13 LEU A 118 1.525 -5.812 8.480 1.00 0.00 H new ATOM 0 HD21 LEU A 118 2.601 -3.682 6.534 1.00 0.00 H new ATOM 0 HD22 LEU A 118 2.037 -5.290 6.023 1.00 0.00 H new ATOM 0 HD23 LEU A 118 1.329 -3.827 5.297 1.00 0.00 H new ATOM 629 N LEU A 119 -0.812 -4.301 3.930 1.00 0.00 N ATOM 630 CA LEU A 119 -0.289 -3.754 2.684 1.00 0.00 C ATOM 631 C LEU A 119 -1.340 -2.879 2.010 1.00 0.00 C ATOM 632 O LEU A 119 -1.018 -1.869 1.383 1.00 0.00 O ATOM 633 CB LEU A 119 0.135 -4.882 1.741 1.00 0.00 C ATOM 634 CG LEU A 119 1.179 -5.846 2.308 1.00 0.00 C ATOM 635 CD1 LEU A 119 1.326 -7.064 1.408 1.00 0.00 C ATOM 636 CD2 LEU A 119 2.517 -5.143 2.477 1.00 0.00 C ATOM 0 H LEU A 119 -0.923 -5.315 3.932 1.00 0.00 H new ATOM 0 HA LEU A 119 0.584 -3.144 2.915 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -0.750 -5.453 1.462 1.00 0.00 H new ATOM 0 HB3 LEU A 119 0.530 -4.440 0.826 1.00 0.00 H new ATOM 0 HG LEU A 119 0.840 -6.182 3.288 1.00 0.00 H new ATOM 0 HD11 LEU A 119 2.073 -7.738 1.827 1.00 0.00 H new ATOM 0 HD12 LEU A 119 0.369 -7.581 1.337 1.00 0.00 H new ATOM 0 HD13 LEU A 119 1.641 -6.746 0.414 1.00 0.00 H new ATOM 0 HD21 LEU A 119 3.248 -5.844 2.881 1.00 0.00 H new ATOM 0 HD22 LEU A 119 2.861 -4.778 1.509 1.00 0.00 H new ATOM 0 HD23 LEU A 119 2.403 -4.303 3.162 1.00 0.00 H new ATOM 648 N GLY A 120 -2.599 -3.274 2.158 1.00 0.00 N ATOM 649 CA GLY A 120 -3.688 -2.518 1.574 1.00 0.00 C ATOM 650 C GLY A 120 -3.918 -1.202 2.289 1.00 0.00 C ATOM 651 O GLY A 120 -4.004 -0.149 1.657 1.00 0.00 O ATOM 0 H GLY A 120 -2.884 -4.107 2.674 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -3.472 -2.326 0.523 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -4.601 -3.113 1.608 1.00 0.00 H new ATOM 655 N SER A 121 -4.019 -1.264 3.613 1.00 0.00 N ATOM 656 CA SER A 121 -4.243 -0.073 4.424 1.00 0.00 C ATOM 657 C SER A 121 -3.143 0.960 4.203 1.00 0.00 C ATOM 658 O SER A 121 -3.396 2.166 4.234 1.00 0.00 O ATOM 659 CB SER A 121 -4.314 -0.446 5.905 1.00 0.00 C ATOM 660 OG SER A 121 -4.192 0.702 6.727 1.00 0.00 O ATOM 0 H SER A 121 -3.949 -2.129 4.148 1.00 0.00 H new ATOM 0 HA SER A 121 -5.192 0.366 4.117 1.00 0.00 H new ATOM 0 HB2 SER A 121 -5.260 -0.946 6.112 1.00 0.00 H new ATOM 0 HB3 SER A 121 -3.520 -1.154 6.143 1.00 0.00 H new ATOM 0 HG SER A 121 -4.816 1.392 6.420 1.00 0.00 H new ATOM 666 N TYR A 122 -1.922 0.487 3.973 1.00 0.00 N ATOM 667 CA TYR A 122 -0.795 1.381 3.743 1.00 0.00 C ATOM 668 C TYR A 122 -0.893 2.028 2.368 1.00 0.00 C ATOM 669 O TYR A 122 -0.644 3.224 2.216 1.00 0.00 O ATOM 670 CB TYR A 122 0.525 0.619 3.878 1.00 0.00 C ATOM 671 CG TYR A 122 0.972 0.444 5.311 1.00 0.00 C ATOM 672 CD1 TYR A 122 1.095 1.540 6.157 1.00 0.00 C ATOM 673 CD2 TYR A 122 1.268 -0.814 5.820 1.00 0.00 C ATOM 674 CE1 TYR A 122 1.500 1.386 7.469 1.00 0.00 C ATOM 675 CE2 TYR A 122 1.674 -0.975 7.131 1.00 0.00 C ATOM 676 CZ TYR A 122 1.788 0.127 7.951 1.00 0.00 C ATOM 677 OH TYR A 122 2.192 -0.030 9.257 1.00 0.00 O ATOM 0 H TYR A 122 -1.689 -0.506 3.941 1.00 0.00 H new ATOM 0 HA TYR A 122 -0.823 2.168 4.496 1.00 0.00 H new ATOM 0 HB2 TYR A 122 0.419 -0.362 3.416 1.00 0.00 H new ATOM 0 HB3 TYR A 122 1.300 1.149 3.325 1.00 0.00 H new ATOM 0 HD1 TYR A 122 0.870 2.528 5.783 1.00 0.00 H new ATOM 0 HD2 TYR A 122 1.179 -1.680 5.181 1.00 0.00 H new ATOM 0 HE1 TYR A 122 1.590 2.248 8.114 1.00 0.00 H new ATOM 0 HE2 TYR A 122 1.901 -1.960 7.511 1.00 0.00 H new ATOM 0 HH TYR A 122 2.354 -0.980 9.437 1.00 0.00 H new ATOM 687 N THR A 123 -1.268 1.235 1.369 1.00 0.00 N ATOM 688 CA THR A 123 -1.410 1.742 0.010 1.00 0.00 C ATOM 689 C THR A 123 -2.456 2.849 -0.034 1.00 0.00 C ATOM 690 O THR A 123 -2.261 3.876 -0.686 1.00 0.00 O ATOM 691 CB THR A 123 -1.799 0.612 -0.945 1.00 0.00 C ATOM 692 OG1 THR A 123 -0.946 -0.505 -0.772 1.00 0.00 O ATOM 693 CG2 THR A 123 -1.740 1.014 -2.403 1.00 0.00 C ATOM 0 H THR A 123 -1.478 0.243 1.475 1.00 0.00 H new ATOM 0 HA THR A 123 -0.451 2.151 -0.308 1.00 0.00 H new ATOM 0 HB THR A 123 -2.831 0.364 -0.695 1.00 0.00 H new ATOM 0 HG1 THR A 123 -1.330 -1.109 -0.103 1.00 0.00 H new ATOM 0 HG21 THR A 123 -2.027 0.167 -3.026 1.00 0.00 H new ATOM 0 HG22 THR A 123 -2.425 1.843 -2.580 1.00 0.00 H new ATOM 0 HG23 THR A 123 -0.725 1.322 -2.655 1.00 0.00 H new ATOM 701 N ILE A 124 -3.561 2.641 0.676 1.00 0.00 N ATOM 702 CA ILE A 124 -4.627 3.631 0.727 1.00 0.00 C ATOM 703 C ILE A 124 -4.116 4.921 1.358 1.00 0.00 C ATOM 704 O ILE A 124 -4.364 6.013 0.850 1.00 0.00 O ATOM 705 CB ILE A 124 -5.843 3.117 1.527 1.00 0.00 C ATOM 706 CG1 ILE A 124 -6.357 1.803 0.929 1.00 0.00 C ATOM 707 CG2 ILE A 124 -6.949 4.164 1.553 1.00 0.00 C ATOM 708 CD1 ILE A 124 -7.097 1.975 -0.381 1.00 0.00 C ATOM 0 H ILE A 124 -3.740 1.798 1.222 1.00 0.00 H new ATOM 0 HA ILE A 124 -4.947 3.821 -0.298 1.00 0.00 H new ATOM 0 HB ILE A 124 -5.528 2.929 2.553 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -5.513 1.131 0.773 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -7.019 1.322 1.649 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -7.797 3.783 2.121 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -6.577 5.075 2.023 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -7.265 4.385 0.533 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -7.430 1.002 -0.741 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -7.962 2.620 -0.228 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -6.433 2.427 -1.118 1.00 0.00 H new ATOM 720 N GLN A 125 -3.392 4.784 2.467 1.00 0.00 N ATOM 721 CA GLN A 125 -2.835 5.939 3.164 1.00 0.00 C ATOM 722 C GLN A 125 -1.930 6.743 2.233 1.00 0.00 C ATOM 723 O GLN A 125 -1.892 7.970 2.291 1.00 0.00 O ATOM 724 CB GLN A 125 -2.046 5.483 4.394 1.00 0.00 C ATOM 725 CG GLN A 125 -1.901 6.557 5.459 1.00 0.00 C ATOM 726 CD GLN A 125 -0.786 7.538 5.150 1.00 0.00 C ATOM 727 OE1 GLN A 125 -0.084 7.402 4.148 1.00 0.00 O ATOM 728 NE2 GLN A 125 -0.617 8.533 6.012 1.00 0.00 N ATOM 0 H GLN A 125 -3.178 3.886 2.901 1.00 0.00 H new ATOM 0 HA GLN A 125 -3.658 6.577 3.486 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -2.540 4.615 4.831 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -1.054 5.160 4.079 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -2.842 7.100 5.553 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -1.708 6.085 6.422 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -1.222 8.608 6.830 1.00 0.00 H new ATOM 0 HE22 GLN A 125 0.118 9.223 5.857 1.00 0.00 H new ATOM 737 N SER A 126 -1.204 6.039 1.374 1.00 0.00 N ATOM 738 CA SER A 126 -0.302 6.685 0.427 1.00 0.00 C ATOM 739 C SER A 126 -1.076 7.258 -0.759 1.00 0.00 C ATOM 740 O SER A 126 -0.621 8.193 -1.418 1.00 0.00 O ATOM 741 CB SER A 126 0.749 5.690 -0.068 1.00 0.00 C ATOM 742 OG SER A 126 1.424 5.079 1.018 1.00 0.00 O ATOM 0 H SER A 126 -1.222 5.021 1.313 1.00 0.00 H new ATOM 0 HA SER A 126 0.198 7.505 0.942 1.00 0.00 H new ATOM 0 HB2 SER A 126 0.271 4.925 -0.680 1.00 0.00 H new ATOM 0 HB3 SER A 126 1.469 6.204 -0.705 1.00 0.00 H new ATOM 0 HG SER A 126 0.814 4.467 1.480 1.00 0.00 H new ATOM 748 N GLU A 127 -2.239 6.676 -1.034 1.00 0.00 N ATOM 749 CA GLU A 127 -3.069 7.111 -2.151 1.00 0.00 C ATOM 750 C GLU A 127 -3.899 8.336 -1.790 1.00 0.00 C ATOM 751 O GLU A 127 -4.076 9.239 -2.608 1.00 0.00 O ATOM 752 CB GLU A 127 -3.995 5.976 -2.596 1.00 0.00 C ATOM 753 CG GLU A 127 -3.625 5.385 -3.947 1.00 0.00 C ATOM 754 CD GLU A 127 -4.061 6.262 -5.105 1.00 0.00 C ATOM 755 OE1 GLU A 127 -5.233 6.693 -5.115 1.00 0.00 O ATOM 756 OE2 GLU A 127 -3.230 6.518 -6.001 1.00 0.00 O ATOM 0 H GLU A 127 -2.628 5.901 -0.497 1.00 0.00 H new ATOM 0 HA GLU A 127 -2.402 7.382 -2.970 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -3.975 5.186 -1.845 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -5.018 6.349 -2.639 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -2.546 5.239 -3.993 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -4.084 4.402 -4.048 1.00 0.00 H new ATOM 763 N LEU A 128 -4.435 8.350 -0.576 1.00 0.00 N ATOM 764 CA LEU A 128 -5.279 9.448 -0.129 1.00 0.00 C ATOM 765 C LEU A 128 -4.647 10.239 1.017 1.00 0.00 C ATOM 766 O LEU A 128 -5.238 11.200 1.511 1.00 0.00 O ATOM 767 CB LEU A 128 -6.626 8.883 0.310 1.00 0.00 C ATOM 768 CG LEU A 128 -7.365 8.085 -0.767 1.00 0.00 C ATOM 769 CD1 LEU A 128 -7.958 6.811 -0.184 1.00 0.00 C ATOM 770 CD2 LEU A 128 -8.449 8.933 -1.411 1.00 0.00 C ATOM 0 H LEU A 128 -4.300 7.613 0.116 1.00 0.00 H new ATOM 0 HA LEU A 128 -5.405 10.141 -0.961 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -6.470 8.241 1.177 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -7.262 9.707 0.634 1.00 0.00 H new ATOM 0 HG LEU A 128 -6.645 7.804 -1.536 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -8.478 6.260 -0.968 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -7.160 6.192 0.226 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -8.662 7.067 0.608 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -8.963 8.348 -2.174 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -9.165 9.247 -0.651 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -7.998 9.813 -1.871 1.00 0.00 H new ATOM 782 N GLY A 129 -3.450 9.842 1.439 1.00 0.00 N ATOM 783 CA GLY A 129 -2.781 10.542 2.521 1.00 0.00 C ATOM 784 C GLY A 129 -3.196 10.036 3.891 1.00 0.00 C ATOM 785 O GLY A 129 -3.069 8.849 4.186 1.00 0.00 O ATOM 0 H GLY A 129 -2.933 9.052 1.053 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -1.703 10.431 2.408 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -3.001 11.607 2.450 1.00 0.00 H new ATOM 789 N ASP A 130 -3.692 10.938 4.732 1.00 0.00 N ATOM 790 CA ASP A 130 -4.121 10.570 6.077 1.00 0.00 C ATOM 791 C ASP A 130 -5.643 10.576 6.187 1.00 0.00 C ATOM 792 O ASP A 130 -6.345 10.886 5.225 1.00 0.00 O ATOM 793 CB ASP A 130 -3.516 11.528 7.107 1.00 0.00 C ATOM 794 CG ASP A 130 -2.469 10.858 7.974 1.00 0.00 C ATOM 795 OD1 ASP A 130 -1.305 10.758 7.531 1.00 0.00 O ATOM 796 OD2 ASP A 130 -2.812 10.432 9.097 1.00 0.00 O ATOM 0 H ASP A 130 -3.807 11.926 4.507 1.00 0.00 H new ATOM 0 HA ASP A 130 -3.768 9.559 6.280 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -3.067 12.376 6.590 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -4.309 11.924 7.741 1.00 0.00 H new ATOM 801 N TYR A 131 -6.145 10.232 7.369 1.00 0.00 N ATOM 802 CA TYR A 131 -7.583 10.197 7.611 1.00 0.00 C ATOM 803 C TYR A 131 -8.083 11.544 8.122 1.00 0.00 C ATOM 804 O TYR A 131 -7.570 12.075 9.108 1.00 0.00 O ATOM 805 CB TYR A 131 -7.924 9.098 8.619 1.00 0.00 C ATOM 806 CG TYR A 131 -9.384 8.708 8.619 1.00 0.00 C ATOM 807 CD1 TYR A 131 -10.325 9.463 9.307 1.00 0.00 C ATOM 808 CD2 TYR A 131 -9.822 7.583 7.930 1.00 0.00 C ATOM 809 CE1 TYR A 131 -11.661 9.110 9.309 1.00 0.00 C ATOM 810 CE2 TYR A 131 -11.156 7.224 7.927 1.00 0.00 C ATOM 811 CZ TYR A 131 -12.071 7.990 8.618 1.00 0.00 C ATOM 812 OH TYR A 131 -13.401 7.634 8.618 1.00 0.00 O ATOM 0 H TYR A 131 -5.576 9.973 8.175 1.00 0.00 H new ATOM 0 HA TYR A 131 -8.080 9.981 6.665 1.00 0.00 H new ATOM 0 HB2 TYR A 131 -7.321 8.217 8.400 1.00 0.00 H new ATOM 0 HB3 TYR A 131 -7.646 9.434 9.618 1.00 0.00 H new ATOM 0 HD1 TYR A 131 -10.007 10.341 9.850 1.00 0.00 H new ATOM 0 HD2 TYR A 131 -9.108 6.980 7.388 1.00 0.00 H new ATOM 0 HE1 TYR A 131 -12.380 9.708 9.849 1.00 0.00 H new ATOM 0 HE2 TYR A 131 -11.481 6.348 7.386 1.00 0.00 H new ATOM 0 HH TYR A 131 -13.955 8.438 8.704 1.00 0.00 H new ATOM 822 N ASP A 132 -9.087 12.093 7.446 1.00 0.00 N ATOM 823 CA ASP A 132 -9.658 13.378 7.831 1.00 0.00 C ATOM 824 C ASP A 132 -11.148 13.241 8.139 1.00 0.00 C ATOM 825 O ASP A 132 -11.985 13.327 7.241 1.00 0.00 O ATOM 826 CB ASP A 132 -9.448 14.407 6.718 1.00 0.00 C ATOM 827 CG ASP A 132 -8.206 15.248 6.935 1.00 0.00 C ATOM 828 OD1 ASP A 132 -7.882 15.538 8.106 1.00 0.00 O ATOM 829 OD2 ASP A 132 -7.556 15.617 5.934 1.00 0.00 O ATOM 0 H ASP A 132 -9.522 11.667 6.628 1.00 0.00 H new ATOM 0 HA ASP A 132 -9.148 13.719 8.732 1.00 0.00 H new ATOM 0 HB2 ASP A 132 -9.372 13.892 5.760 1.00 0.00 H new ATOM 0 HB3 ASP A 132 -10.320 15.059 6.661 1.00 0.00 H new ATOM 834 N PRO A 133 -11.501 13.024 9.419 1.00 0.00 N ATOM 835 CA PRO A 133 -12.899 12.875 9.838 1.00 0.00 C ATOM 836 C PRO A 133 -13.753 14.073 9.439 1.00 0.00 C ATOM 837 O PRO A 133 -14.960 13.946 9.230 1.00 0.00 O ATOM 838 CB PRO A 133 -12.811 12.766 11.363 1.00 0.00 C ATOM 839 CG PRO A 133 -11.421 12.305 11.636 1.00 0.00 C ATOM 840 CD PRO A 133 -10.569 12.907 10.555 1.00 0.00 C ATOM 0 HA PRO A 133 -13.373 12.015 9.365 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -13.009 13.726 11.840 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -13.545 12.060 11.751 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -11.088 12.629 12.622 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -11.360 11.217 11.621 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -10.170 13.877 10.850 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -9.717 12.272 10.313 1.00 0.00 H new ATOM 848 N GLU A 134 -13.120 15.237 9.335 1.00 0.00 N ATOM 849 CA GLU A 134 -13.823 16.459 8.961 1.00 0.00 C ATOM 850 C GLU A 134 -14.302 16.392 7.515 1.00 0.00 C ATOM 851 O GLU A 134 -15.331 16.969 7.163 1.00 0.00 O ATOM 852 CB GLU A 134 -12.914 17.674 9.154 1.00 0.00 C ATOM 853 CG GLU A 134 -11.643 17.621 8.321 1.00 0.00 C ATOM 854 CD GLU A 134 -10.773 18.849 8.507 1.00 0.00 C ATOM 855 OE1 GLU A 134 -10.039 18.908 9.516 1.00 0.00 O ATOM 856 OE2 GLU A 134 -10.825 19.750 7.644 1.00 0.00 O ATOM 0 H GLU A 134 -12.122 15.360 9.504 1.00 0.00 H new ATOM 0 HA GLU A 134 -14.695 16.559 9.608 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -13.469 18.577 8.898 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -12.645 17.753 10.207 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -11.073 16.732 8.591 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -11.907 17.523 7.268 1.00 0.00 H new ATOM 863 N LEU A 135 -13.548 15.683 6.680 1.00 0.00 N ATOM 864 CA LEU A 135 -13.895 15.540 5.271 1.00 0.00 C ATOM 865 C LEU A 135 -14.861 14.376 5.054 1.00 0.00 C ATOM 866 O LEU A 135 -15.511 14.286 4.013 1.00 0.00 O ATOM 867 CB LEU A 135 -12.632 15.332 4.433 1.00 0.00 C ATOM 868 CG LEU A 135 -11.585 16.441 4.553 1.00 0.00 C ATOM 869 CD1 LEU A 135 -10.426 16.187 3.603 1.00 0.00 C ATOM 870 CD2 LEU A 135 -12.215 17.799 4.278 1.00 0.00 C ATOM 0 H LEU A 135 -12.693 15.199 6.955 1.00 0.00 H new ATOM 0 HA LEU A 135 -14.390 16.458 4.954 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -12.173 14.387 4.724 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -12.920 15.237 3.386 1.00 0.00 H new ATOM 0 HG LEU A 135 -11.198 16.441 5.572 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -9.692 16.986 3.703 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -9.959 15.233 3.846 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -10.795 16.160 2.578 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -11.457 18.577 4.368 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -12.629 17.810 3.270 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -13.011 17.984 4.999 1.00 0.00 H new ATOM 882 N HIS A 136 -14.951 13.488 6.041 1.00 0.00 N ATOM 883 CA HIS A 136 -15.839 12.334 5.952 1.00 0.00 C ATOM 884 C HIS A 136 -15.444 11.431 4.788 1.00 0.00 C ATOM 885 O HIS A 136 -15.973 11.557 3.684 1.00 0.00 O ATOM 886 CB HIS A 136 -17.291 12.790 5.790 1.00 0.00 C ATOM 887 CG HIS A 136 -17.955 13.144 7.084 1.00 0.00 C ATOM 888 ND1 HIS A 136 -17.548 12.976 8.365 1.00 0.00 N flip ATOM 889 CD2 HIS A 136 -19.192 13.749 7.154 1.00 0.00 C flip ATOM 890 CE1 HIS A 136 -18.536 13.477 9.175 1.00 0.00 C flip ATOM 891 NE2 HIS A 136 -19.517 13.938 8.421 1.00 0.00 N flip ATOM 0 H HIS A 136 -14.420 13.546 6.910 1.00 0.00 H new ATOM 0 HA HIS A 136 -15.746 11.765 6.877 1.00 0.00 H new ATOM 0 HB2 HIS A 136 -17.320 13.655 5.128 1.00 0.00 H new ATOM 0 HB3 HIS A 136 -17.860 11.998 5.304 1.00 0.00 H new ATOM 0 HD1 HIS A 136 -16.670 12.555 8.671 1.00 0.00 H new ATOM 0 HD2 HIS A 136 -19.801 14.025 6.306 1.00 0.00 H new ATOM 0 HE1 HIS A 136 -18.515 13.492 10.255 1.00 0.00 H new ATOM 900 N GLY A 137 -14.510 10.520 5.044 1.00 0.00 N ATOM 901 CA GLY A 137 -14.059 9.608 4.009 1.00 0.00 C ATOM 902 C GLY A 137 -14.193 8.155 4.421 1.00 0.00 C ATOM 903 O GLY A 137 -13.447 7.673 5.273 1.00 0.00 O ATOM 0 H GLY A 137 -14.058 10.397 5.950 1.00 0.00 H new ATOM 0 HA2 GLY A 137 -14.636 9.780 3.100 1.00 0.00 H new ATOM 0 HA3 GLY A 137 -13.017 9.821 3.770 1.00 0.00 H new ATOM 907 N VAL A 138 -15.147 7.456 3.816 1.00 0.00 N ATOM 908 CA VAL A 138 -15.377 6.050 4.125 1.00 0.00 C ATOM 909 C VAL A 138 -15.932 5.304 2.917 1.00 0.00 C ATOM 910 O VAL A 138 -16.463 5.912 1.988 1.00 0.00 O ATOM 911 CB VAL A 138 -16.352 5.888 5.307 1.00 0.00 C ATOM 912 CG1 VAL A 138 -15.686 6.300 6.610 1.00 0.00 C ATOM 913 CG2 VAL A 138 -17.619 6.695 5.068 1.00 0.00 C ATOM 0 H VAL A 138 -15.773 7.840 3.109 1.00 0.00 H new ATOM 0 HA VAL A 138 -14.411 5.624 4.398 1.00 0.00 H new ATOM 0 HB VAL A 138 -16.628 4.836 5.385 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -16.390 6.179 7.433 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -14.811 5.674 6.786 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -15.378 7.344 6.547 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -18.296 6.568 5.913 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -17.364 7.749 4.962 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -18.106 6.346 4.158 1.00 0.00 H new ATOM 923 N ASP A 139 -15.804 3.980 2.939 1.00 0.00 N ATOM 924 CA ASP A 139 -16.291 3.140 1.848 1.00 0.00 C ATOM 925 C ASP A 139 -15.503 3.381 0.561 1.00 0.00 C ATOM 926 O ASP A 139 -15.912 2.943 -0.514 1.00 0.00 O ATOM 927 CB ASP A 139 -17.780 3.396 1.601 1.00 0.00 C ATOM 928 CG ASP A 139 -18.610 3.241 2.860 1.00 0.00 C ATOM 929 OD1 ASP A 139 -18.389 4.013 3.816 1.00 0.00 O ATOM 930 OD2 ASP A 139 -19.482 2.347 2.889 1.00 0.00 O ATOM 0 H ASP A 139 -15.366 3.464 3.702 1.00 0.00 H new ATOM 0 HA ASP A 139 -16.148 2.101 2.144 1.00 0.00 H new ATOM 0 HB2 ASP A 139 -17.912 4.403 1.204 1.00 0.00 H new ATOM 0 HB3 ASP A 139 -18.144 2.704 0.842 1.00 0.00 H new ATOM 935 N TYR A 140 -14.370 4.072 0.672 1.00 0.00 N ATOM 936 CA TYR A 140 -13.538 4.356 -0.493 1.00 0.00 C ATOM 937 C TYR A 140 -12.630 3.172 -0.827 1.00 0.00 C ATOM 938 O TYR A 140 -11.981 3.155 -1.872 1.00 0.00 O ATOM 939 CB TYR A 140 -12.692 5.615 -0.268 1.00 0.00 C ATOM 940 CG TYR A 140 -12.121 5.741 1.129 1.00 0.00 C ATOM 941 CD1 TYR A 140 -11.458 4.679 1.732 1.00 0.00 C ATOM 942 CD2 TYR A 140 -12.242 6.927 1.842 1.00 0.00 C ATOM 943 CE1 TYR A 140 -10.935 4.795 3.006 1.00 0.00 C ATOM 944 CE2 TYR A 140 -11.721 7.051 3.115 1.00 0.00 C ATOM 945 CZ TYR A 140 -11.069 5.983 3.693 1.00 0.00 C ATOM 946 OH TYR A 140 -10.547 6.102 4.961 1.00 0.00 O ATOM 0 H TYR A 140 -14.010 4.443 1.551 1.00 0.00 H new ATOM 0 HA TYR A 140 -14.206 4.528 -1.337 1.00 0.00 H new ATOM 0 HB2 TYR A 140 -11.871 5.620 -0.985 1.00 0.00 H new ATOM 0 HB3 TYR A 140 -13.304 6.492 -0.478 1.00 0.00 H new ATOM 0 HD1 TYR A 140 -11.350 3.748 1.196 1.00 0.00 H new ATOM 0 HD2 TYR A 140 -12.752 7.766 1.393 1.00 0.00 H new ATOM 0 HE1 TYR A 140 -10.424 3.959 3.461 1.00 0.00 H new ATOM 0 HE2 TYR A 140 -11.824 7.981 3.655 1.00 0.00 H new ATOM 0 HH TYR A 140 -11.148 6.646 5.512 1.00 0.00 H new ATOM 956 N VAL A 141 -12.589 2.184 0.064 1.00 0.00 N ATOM 957 CA VAL A 141 -11.760 1.004 -0.146 1.00 0.00 C ATOM 958 C VAL A 141 -12.316 0.139 -1.272 1.00 0.00 C ATOM 959 O VAL A 141 -11.573 -0.573 -1.947 1.00 0.00 O ATOM 960 CB VAL A 141 -11.652 0.155 1.135 1.00 0.00 C ATOM 961 CG1 VAL A 141 -10.530 -0.861 1.006 1.00 0.00 C ATOM 962 CG2 VAL A 141 -11.435 1.043 2.351 1.00 0.00 C ATOM 0 H VAL A 141 -13.119 2.179 0.935 1.00 0.00 H new ATOM 0 HA VAL A 141 -10.766 1.359 -0.419 1.00 0.00 H new ATOM 0 HB VAL A 141 -12.590 -0.384 1.270 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -10.468 -1.452 1.920 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -10.731 -1.519 0.161 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -9.585 -0.341 0.845 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -11.361 0.424 3.245 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -10.513 1.612 2.226 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -12.274 1.731 2.454 1.00 0.00 H new ATOM 972 N SER A 142 -13.629 0.211 -1.473 1.00 0.00 N ATOM 973 CA SER A 142 -14.296 -0.557 -2.519 1.00 0.00 C ATOM 974 C SER A 142 -13.821 -0.138 -3.910 1.00 0.00 C ATOM 975 O SER A 142 -14.061 -0.841 -4.891 1.00 0.00 O ATOM 976 CB SER A 142 -15.813 -0.386 -2.414 1.00 0.00 C ATOM 977 OG SER A 142 -16.485 -1.205 -3.355 1.00 0.00 O ATOM 0 H SER A 142 -14.255 0.797 -0.921 1.00 0.00 H new ATOM 0 HA SER A 142 -14.039 -1.607 -2.376 1.00 0.00 H new ATOM 0 HB2 SER A 142 -16.142 -0.640 -1.406 1.00 0.00 H new ATOM 0 HB3 SER A 142 -16.077 0.658 -2.582 1.00 0.00 H new ATOM 0 HG SER A 142 -15.861 -1.470 -4.062 1.00 0.00 H new ATOM 983 N ASP A 143 -13.143 1.004 -3.991 1.00 0.00 N ATOM 984 CA ASP A 143 -12.634 1.499 -5.264 1.00 0.00 C ATOM 985 C ASP A 143 -11.194 1.043 -5.484 1.00 0.00 C ATOM 986 O ASP A 143 -10.737 0.925 -6.621 1.00 0.00 O ATOM 987 CB ASP A 143 -12.710 3.026 -5.310 1.00 0.00 C ATOM 988 CG ASP A 143 -13.060 3.546 -6.690 1.00 0.00 C ATOM 989 OD1 ASP A 143 -14.205 3.324 -7.136 1.00 0.00 O ATOM 990 OD2 ASP A 143 -12.188 4.176 -7.326 1.00 0.00 O ATOM 0 H ASP A 143 -12.934 1.602 -3.191 1.00 0.00 H new ATOM 0 HA ASP A 143 -13.255 1.089 -6.061 1.00 0.00 H new ATOM 0 HB2 ASP A 143 -13.456 3.372 -4.595 1.00 0.00 H new ATOM 0 HB3 ASP A 143 -11.753 3.444 -4.999 1.00 0.00 H new ATOM 995 N PHE A 144 -10.484 0.786 -4.388 1.00 0.00 N ATOM 996 CA PHE A 144 -9.097 0.341 -4.461 1.00 0.00 C ATOM 997 C PHE A 144 -9.012 -1.180 -4.394 1.00 0.00 C ATOM 998 O PHE A 144 -9.512 -1.799 -3.455 1.00 0.00 O ATOM 999 CB PHE A 144 -8.281 0.960 -3.326 1.00 0.00 C ATOM 1000 CG PHE A 144 -8.261 2.462 -3.353 1.00 0.00 C ATOM 1001 CD1 PHE A 144 -7.456 3.141 -4.253 1.00 0.00 C ATOM 1002 CD2 PHE A 144 -9.049 3.194 -2.479 1.00 0.00 C ATOM 1003 CE1 PHE A 144 -7.437 4.523 -4.281 1.00 0.00 C ATOM 1004 CE2 PHE A 144 -9.033 4.576 -2.502 1.00 0.00 C ATOM 1005 CZ PHE A 144 -8.226 5.241 -3.404 1.00 0.00 C ATOM 0 H PHE A 144 -10.847 0.879 -3.439 1.00 0.00 H new ATOM 0 HA PHE A 144 -8.685 0.669 -5.415 1.00 0.00 H new ATOM 0 HB2 PHE A 144 -8.689 0.627 -2.372 1.00 0.00 H new ATOM 0 HB3 PHE A 144 -7.257 0.590 -3.381 1.00 0.00 H new ATOM 0 HD1 PHE A 144 -6.836 2.584 -4.940 1.00 0.00 H new ATOM 0 HD2 PHE A 144 -9.683 2.679 -1.772 1.00 0.00 H new ATOM 0 HE1 PHE A 144 -6.806 5.041 -4.988 1.00 0.00 H new ATOM 0 HE2 PHE A 144 -9.651 5.135 -1.815 1.00 0.00 H new ATOM 0 HZ PHE A 144 -8.212 6.321 -3.424 1.00 0.00 H new ATOM 1015 N LYS A 145 -8.379 -1.777 -5.398 1.00 0.00 N ATOM 1016 CA LYS A 145 -8.232 -3.226 -5.455 1.00 0.00 C ATOM 1017 C LYS A 145 -7.071 -3.697 -4.584 1.00 0.00 C ATOM 1018 O LYS A 145 -5.928 -3.758 -5.037 1.00 0.00 O ATOM 1019 CB LYS A 145 -8.015 -3.680 -6.900 1.00 0.00 C ATOM 1020 CG LYS A 145 -6.891 -2.940 -7.608 1.00 0.00 C ATOM 1021 CD LYS A 145 -7.425 -1.819 -8.485 1.00 0.00 C ATOM 1022 CE LYS A 145 -7.431 -2.214 -9.953 1.00 0.00 C ATOM 1023 NZ LYS A 145 -7.453 -1.025 -10.849 1.00 0.00 N ATOM 0 H LYS A 145 -7.960 -1.279 -6.183 1.00 0.00 H new ATOM 0 HA LYS A 145 -9.150 -3.671 -5.072 1.00 0.00 H new ATOM 0 HB2 LYS A 145 -7.797 -4.748 -6.908 1.00 0.00 H new ATOM 0 HB3 LYS A 145 -8.940 -3.539 -7.459 1.00 0.00 H new ATOM 0 HG2 LYS A 145 -6.203 -2.529 -6.869 1.00 0.00 H new ATOM 0 HG3 LYS A 145 -6.321 -3.641 -8.219 1.00 0.00 H new ATOM 0 HD2 LYS A 145 -8.437 -1.562 -8.172 1.00 0.00 H new ATOM 0 HD3 LYS A 145 -6.813 -0.927 -8.350 1.00 0.00 H new ATOM 0 HE2 LYS A 145 -6.549 -2.816 -10.170 1.00 0.00 H new ATOM 0 HE3 LYS A 145 -8.301 -2.838 -10.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 145 -7.456 -1.338 -11.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 145 -8.308 -0.464 -10.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 145 -6.610 -0.442 -10.673 1.00 0.00 H new ATOM 1037 N LEU A 146 -7.370 -4.027 -3.332 1.00 0.00 N ATOM 1038 CA LEU A 146 -6.348 -4.493 -2.401 1.00 0.00 C ATOM 1039 C LEU A 146 -6.192 -6.010 -2.472 1.00 0.00 C ATOM 1040 O LEU A 146 -5.144 -6.551 -2.118 1.00 0.00 O ATOM 1041 CB LEU A 146 -6.697 -4.076 -0.971 1.00 0.00 C ATOM 1042 CG LEU A 146 -7.281 -2.670 -0.826 1.00 0.00 C ATOM 1043 CD1 LEU A 146 -8.175 -2.594 0.400 1.00 0.00 C ATOM 1044 CD2 LEU A 146 -6.167 -1.636 -0.745 1.00 0.00 C ATOM 0 H LEU A 146 -8.310 -3.981 -2.939 1.00 0.00 H new ATOM 0 HA LEU A 146 -5.402 -4.033 -2.687 1.00 0.00 H new ATOM 0 HB2 LEU A 146 -7.411 -4.792 -0.565 1.00 0.00 H new ATOM 0 HB3 LEU A 146 -5.797 -4.143 -0.360 1.00 0.00 H new ATOM 0 HG LEU A 146 -7.885 -2.451 -1.706 1.00 0.00 H new ATOM 0 HD11 LEU A 146 -8.584 -1.588 0.491 1.00 0.00 H new ATOM 0 HD12 LEU A 146 -8.991 -3.309 0.300 1.00 0.00 H new ATOM 0 HD13 LEU A 146 -7.592 -2.830 1.290 1.00 0.00 H new ATOM 0 HD21 LEU A 146 -6.601 -0.641 -0.642 1.00 0.00 H new ATOM 0 HD22 LEU A 146 -5.536 -1.848 0.118 1.00 0.00 H new ATOM 0 HD23 LEU A 146 -5.565 -1.677 -1.653 1.00 0.00 H new ATOM 1056 N ALA A 147 -7.238 -6.692 -2.930 1.00 0.00 N ATOM 1057 CA ALA A 147 -7.210 -8.145 -3.045 1.00 0.00 C ATOM 1058 C ALA A 147 -8.343 -8.648 -3.936 1.00 0.00 C ATOM 1059 O ALA A 147 -9.326 -7.943 -4.161 1.00 0.00 O ATOM 1060 CB ALA A 147 -7.295 -8.784 -1.667 1.00 0.00 C ATOM 0 H ALA A 147 -8.114 -6.262 -3.227 1.00 0.00 H new ATOM 0 HA ALA A 147 -6.266 -8.431 -3.508 1.00 0.00 H new ATOM 0 HB1 ALA A 147 -7.273 -9.869 -1.767 1.00 0.00 H new ATOM 0 HB2 ALA A 147 -6.449 -8.458 -1.062 1.00 0.00 H new ATOM 0 HB3 ALA A 147 -8.224 -8.483 -1.183 1.00 0.00 H new ATOM 1066 N PRO A 148 -8.219 -9.882 -4.456 1.00 0.00 N ATOM 1067 CA PRO A 148 -9.238 -10.478 -5.326 1.00 0.00 C ATOM 1068 C PRO A 148 -10.547 -10.739 -4.588 1.00 0.00 C ATOM 1069 O PRO A 148 -11.621 -10.365 -5.058 1.00 0.00 O ATOM 1070 CB PRO A 148 -8.605 -11.798 -5.776 1.00 0.00 C ATOM 1071 CG PRO A 148 -7.592 -12.113 -4.730 1.00 0.00 C ATOM 1072 CD PRO A 148 -7.079 -10.790 -4.237 1.00 0.00 C ATOM 0 HA PRO A 148 -9.502 -9.817 -6.152 1.00 0.00 H new ATOM 0 HB2 PRO A 148 -9.352 -12.588 -5.854 1.00 0.00 H new ATOM 0 HB3 PRO A 148 -8.142 -11.700 -6.758 1.00 0.00 H new ATOM 0 HG2 PRO A 148 -8.037 -12.686 -3.917 1.00 0.00 H new ATOM 0 HG3 PRO A 148 -6.783 -12.717 -5.140 1.00 0.00 H new ATOM 0 HD2 PRO A 148 -6.796 -10.835 -3.185 1.00 0.00 H new ATOM 0 HD3 PRO A 148 -6.197 -10.469 -4.791 1.00 0.00 H new ATOM 1080 N ASN A 149 -10.448 -11.382 -3.429 1.00 0.00 N ATOM 1081 CA ASN A 149 -11.624 -11.692 -2.626 1.00 0.00 C ATOM 1082 C ASN A 149 -11.710 -10.770 -1.413 1.00 0.00 C ATOM 1083 O ASN A 149 -11.529 -11.204 -0.275 1.00 0.00 O ATOM 1084 CB ASN A 149 -11.587 -13.153 -2.172 1.00 0.00 C ATOM 1085 CG ASN A 149 -10.346 -13.477 -1.363 1.00 0.00 C ATOM 1086 OD1 ASN A 149 -10.351 -13.392 -0.135 1.00 0.00 O ATOM 1087 ND2 ASN A 149 -9.273 -13.850 -2.050 1.00 0.00 N ATOM 0 H ASN A 149 -9.566 -11.698 -3.026 1.00 0.00 H new ATOM 0 HA ASN A 149 -12.509 -11.535 -3.243 1.00 0.00 H new ATOM 0 HB2 ASN A 149 -12.473 -13.367 -1.574 1.00 0.00 H new ATOM 0 HB3 ASN A 149 -11.627 -13.803 -3.046 1.00 0.00 H new ATOM 0 HD21 ASN A 149 -8.408 -14.080 -1.560 1.00 0.00 H new ATOM 0 HD22 ASN A 149 -9.313 -13.907 -3.068 1.00 0.00 H new ATOM 1094 N GLN A 150 -11.983 -9.495 -1.666 1.00 0.00 N ATOM 1095 CA GLN A 150 -12.088 -8.510 -0.596 1.00 0.00 C ATOM 1096 C GLN A 150 -13.306 -8.783 0.281 1.00 0.00 C ATOM 1097 O GLN A 150 -14.445 -8.727 -0.183 1.00 0.00 O ATOM 1098 CB GLN A 150 -12.170 -7.098 -1.177 1.00 0.00 C ATOM 1099 CG GLN A 150 -11.800 -6.010 -0.182 1.00 0.00 C ATOM 1100 CD GLN A 150 -11.317 -4.742 -0.856 1.00 0.00 C ATOM 1101 OE1 GLN A 150 -10.018 -4.673 -1.126 1.00 0.00 O flip ATOM 1102 NE2 GLN A 150 -12.101 -3.834 -1.132 1.00 0.00 N flip ATOM 0 H GLN A 150 -12.136 -9.119 -2.602 1.00 0.00 H new ATOM 0 HA GLN A 150 -11.194 -8.589 0.022 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -11.508 -7.030 -2.040 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -13.183 -6.920 -1.537 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -12.667 -5.780 0.438 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -11.022 -6.382 0.484 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -13.091 -3.929 -0.907 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -11.760 -2.987 -1.586 1.00 0.00 H new ATOM 1111 N THR A 151 -13.055 -9.075 1.552 1.00 0.00 N ATOM 1112 CA THR A 151 -14.123 -9.354 2.502 1.00 0.00 C ATOM 1113 C THR A 151 -14.345 -8.166 3.425 1.00 0.00 C ATOM 1114 O THR A 151 -13.409 -7.429 3.732 1.00 0.00 O ATOM 1115 CB THR A 151 -13.779 -10.585 3.339 1.00 0.00 C ATOM 1116 OG1 THR A 151 -12.408 -10.580 3.696 1.00 0.00 O ATOM 1117 CG2 THR A 151 -14.063 -11.888 2.634 1.00 0.00 C ATOM 0 H THR A 151 -12.117 -9.125 1.949 1.00 0.00 H new ATOM 0 HA THR A 151 -15.036 -9.542 1.937 1.00 0.00 H new ATOM 0 HB THR A 151 -14.418 -10.522 4.219 1.00 0.00 H new ATOM 0 HG1 THR A 151 -12.237 -11.292 4.348 1.00 0.00 H new ATOM 0 HG21 THR A 151 -13.796 -12.720 3.285 1.00 0.00 H new ATOM 0 HG22 THR A 151 -15.124 -11.945 2.389 1.00 0.00 H new ATOM 0 HG23 THR A 151 -13.475 -11.941 1.718 1.00 0.00 H new ATOM 1125 N LYS A 152 -15.586 -7.985 3.873 1.00 0.00 N ATOM 1126 CA LYS A 152 -15.920 -6.885 4.772 1.00 0.00 C ATOM 1127 C LYS A 152 -14.876 -6.765 5.877 1.00 0.00 C ATOM 1128 O LYS A 152 -14.459 -5.664 6.235 1.00 0.00 O ATOM 1129 CB LYS A 152 -17.306 -7.098 5.382 1.00 0.00 C ATOM 1130 CG LYS A 152 -18.411 -7.239 4.347 1.00 0.00 C ATOM 1131 CD LYS A 152 -19.412 -8.316 4.737 1.00 0.00 C ATOM 1132 CE LYS A 152 -20.706 -7.714 5.260 1.00 0.00 C ATOM 1133 NZ LYS A 152 -20.793 -7.786 6.745 1.00 0.00 N ATOM 0 H LYS A 152 -16.374 -8.585 3.628 1.00 0.00 H new ATOM 0 HA LYS A 152 -15.928 -5.960 4.196 1.00 0.00 H new ATOM 0 HB2 LYS A 152 -17.286 -7.993 6.005 1.00 0.00 H new ATOM 0 HB3 LYS A 152 -17.538 -6.259 6.037 1.00 0.00 H new ATOM 0 HG2 LYS A 152 -18.927 -6.286 4.234 1.00 0.00 H new ATOM 0 HG3 LYS A 152 -17.974 -7.482 3.378 1.00 0.00 H new ATOM 0 HD2 LYS A 152 -19.626 -8.945 3.873 1.00 0.00 H new ATOM 0 HD3 LYS A 152 -18.975 -8.960 5.500 1.00 0.00 H new ATOM 0 HE2 LYS A 152 -20.777 -6.674 4.942 1.00 0.00 H new ATOM 0 HE3 LYS A 152 -21.554 -8.239 4.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 152 -21.690 -7.365 7.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 152 -20.752 -8.780 7.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 152 -19.998 -7.263 7.165 1.00 0.00 H new ATOM 1147 N GLU A 153 -14.452 -7.908 6.408 1.00 0.00 N ATOM 1148 CA GLU A 153 -13.448 -7.928 7.464 1.00 0.00 C ATOM 1149 C GLU A 153 -12.150 -7.298 6.973 1.00 0.00 C ATOM 1150 O GLU A 153 -11.505 -6.538 7.695 1.00 0.00 O ATOM 1151 CB GLU A 153 -13.193 -9.361 7.939 1.00 0.00 C ATOM 1152 CG GLU A 153 -13.075 -10.371 6.809 1.00 0.00 C ATOM 1153 CD GLU A 153 -12.509 -11.700 7.271 1.00 0.00 C ATOM 1154 OE1 GLU A 153 -13.186 -12.390 8.062 1.00 0.00 O ATOM 1155 OE2 GLU A 153 -11.390 -12.050 6.842 1.00 0.00 O ATOM 0 H GLU A 153 -14.787 -8.829 6.125 1.00 0.00 H new ATOM 0 HA GLU A 153 -13.824 -7.347 8.306 1.00 0.00 H new ATOM 0 HB2 GLU A 153 -12.276 -9.381 8.528 1.00 0.00 H new ATOM 0 HB3 GLU A 153 -14.004 -9.664 8.601 1.00 0.00 H new ATOM 0 HG2 GLU A 153 -14.058 -10.533 6.367 1.00 0.00 H new ATOM 0 HG3 GLU A 153 -12.437 -9.961 6.026 1.00 0.00 H new ATOM 1162 N LEU A 154 -11.780 -7.608 5.734 1.00 0.00 N ATOM 1163 CA LEU A 154 -10.568 -7.058 5.142 1.00 0.00 C ATOM 1164 C LEU A 154 -10.742 -5.564 4.889 1.00 0.00 C ATOM 1165 O LEU A 154 -9.882 -4.756 5.240 1.00 0.00 O ATOM 1166 CB LEU A 154 -10.245 -7.784 3.833 1.00 0.00 C ATOM 1167 CG LEU A 154 -9.086 -7.196 3.026 1.00 0.00 C ATOM 1168 CD1 LEU A 154 -7.800 -7.225 3.837 1.00 0.00 C ATOM 1169 CD2 LEU A 154 -8.912 -7.955 1.718 1.00 0.00 C ATOM 0 H LEU A 154 -12.302 -8.236 5.123 1.00 0.00 H new ATOM 0 HA LEU A 154 -9.739 -7.202 5.835 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -10.015 -8.825 4.061 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -11.138 -7.784 3.208 1.00 0.00 H new ATOM 0 HG LEU A 154 -9.319 -6.157 2.794 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -6.987 -6.803 3.246 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -7.930 -6.638 4.746 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -7.559 -8.255 4.101 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -8.084 -7.525 1.155 1.00 0.00 H new ATOM 0 HD22 LEU A 154 -8.701 -9.003 1.931 1.00 0.00 H new ATOM 0 HD23 LEU A 154 -9.827 -7.882 1.130 1.00 0.00 H new ATOM 1181 N GLU A 155 -11.871 -5.209 4.284 1.00 0.00 N ATOM 1182 CA GLU A 155 -12.178 -3.814 3.985 1.00 0.00 C ATOM 1183 C GLU A 155 -12.137 -2.968 5.254 1.00 0.00 C ATOM 1184 O GLU A 155 -11.455 -1.944 5.308 1.00 0.00 O ATOM 1185 CB GLU A 155 -13.554 -3.702 3.326 1.00 0.00 C ATOM 1186 CG GLU A 155 -13.633 -2.619 2.263 1.00 0.00 C ATOM 1187 CD GLU A 155 -15.060 -2.247 1.915 1.00 0.00 C ATOM 1188 OE1 GLU A 155 -15.939 -3.133 1.986 1.00 0.00 O ATOM 1189 OE2 GLU A 155 -15.300 -1.071 1.570 1.00 0.00 O ATOM 0 H GLU A 155 -12.590 -5.870 3.990 1.00 0.00 H new ATOM 0 HA GLU A 155 -11.423 -3.440 3.294 1.00 0.00 H new ATOM 0 HB2 GLU A 155 -13.811 -4.661 2.876 1.00 0.00 H new ATOM 0 HB3 GLU A 155 -14.300 -3.500 4.094 1.00 0.00 H new ATOM 0 HG2 GLU A 155 -13.105 -1.732 2.613 1.00 0.00 H new ATOM 0 HG3 GLU A 155 -13.121 -2.960 1.363 1.00 0.00 H new ATOM 1196 N GLU A 156 -12.872 -3.404 6.274 1.00 0.00 N ATOM 1197 CA GLU A 156 -12.921 -2.689 7.546 1.00 0.00 C ATOM 1198 C GLU A 156 -11.516 -2.451 8.092 1.00 0.00 C ATOM 1199 O GLU A 156 -11.154 -1.326 8.434 1.00 0.00 O ATOM 1200 CB GLU A 156 -13.750 -3.473 8.564 1.00 0.00 C ATOM 1201 CG GLU A 156 -15.227 -3.551 8.215 1.00 0.00 C ATOM 1202 CD GLU A 156 -15.964 -2.259 8.509 1.00 0.00 C ATOM 1203 OE1 GLU A 156 -15.924 -1.345 7.658 1.00 0.00 O ATOM 1204 OE2 GLU A 156 -16.581 -2.160 9.590 1.00 0.00 O ATOM 0 H GLU A 156 -13.442 -4.249 6.244 1.00 0.00 H new ATOM 0 HA GLU A 156 -13.392 -1.722 7.372 1.00 0.00 H new ATOM 0 HB2 GLU A 156 -13.350 -4.484 8.644 1.00 0.00 H new ATOM 0 HB3 GLU A 156 -13.641 -3.008 9.544 1.00 0.00 H new ATOM 0 HG2 GLU A 156 -15.335 -3.794 7.158 1.00 0.00 H new ATOM 0 HG3 GLU A 156 -15.687 -4.364 8.777 1.00 0.00 H new ATOM 1211 N LYS A 157 -10.735 -3.523 8.185 1.00 0.00 N ATOM 1212 CA LYS A 157 -9.376 -3.434 8.705 1.00 0.00 C ATOM 1213 C LYS A 157 -8.547 -2.438 7.899 1.00 0.00 C ATOM 1214 O LYS A 157 -7.632 -1.808 8.430 1.00 0.00 O ATOM 1215 CB LYS A 157 -8.708 -4.810 8.680 1.00 0.00 C ATOM 1216 CG LYS A 157 -7.744 -5.040 9.833 1.00 0.00 C ATOM 1217 CD LYS A 157 -8.394 -5.837 10.953 1.00 0.00 C ATOM 1218 CE LYS A 157 -7.367 -6.308 11.969 1.00 0.00 C ATOM 1219 NZ LYS A 157 -7.676 -7.673 12.480 1.00 0.00 N ATOM 0 H LYS A 157 -11.020 -4.462 7.907 1.00 0.00 H new ATOM 0 HA LYS A 157 -9.430 -3.082 9.735 1.00 0.00 H new ATOM 0 HB2 LYS A 157 -9.480 -5.580 8.704 1.00 0.00 H new ATOM 0 HB3 LYS A 157 -8.170 -4.926 7.739 1.00 0.00 H new ATOM 0 HG2 LYS A 157 -6.863 -5.570 9.472 1.00 0.00 H new ATOM 0 HG3 LYS A 157 -7.402 -4.080 10.219 1.00 0.00 H new ATOM 0 HD2 LYS A 157 -9.144 -5.222 11.450 1.00 0.00 H new ATOM 0 HD3 LYS A 157 -8.914 -6.698 10.534 1.00 0.00 H new ATOM 0 HE2 LYS A 157 -6.377 -6.307 11.512 1.00 0.00 H new ATOM 0 HE3 LYS A 157 -7.334 -5.607 12.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 157 -6.952 -7.957 13.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 157 -8.609 -7.669 12.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 157 -7.683 -8.347 11.688 1.00 0.00 H new ATOM 1233 N VAL A 158 -8.879 -2.287 6.621 1.00 0.00 N ATOM 1234 CA VAL A 158 -8.167 -1.351 5.761 1.00 0.00 C ATOM 1235 C VAL A 158 -8.426 0.085 6.207 1.00 0.00 C ATOM 1236 O VAL A 158 -7.494 0.870 6.384 1.00 0.00 O ATOM 1237 CB VAL A 158 -8.584 -1.508 4.284 1.00 0.00 C ATOM 1238 CG1 VAL A 158 -7.785 -0.565 3.394 1.00 0.00 C ATOM 1239 CG2 VAL A 158 -8.413 -2.952 3.832 1.00 0.00 C ATOM 0 H VAL A 158 -9.632 -2.798 6.161 1.00 0.00 H new ATOM 0 HA VAL A 158 -7.104 -1.576 5.847 1.00 0.00 H new ATOM 0 HB VAL A 158 -9.638 -1.244 4.195 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -8.096 -0.693 2.357 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -7.964 0.465 3.702 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -6.723 -0.791 3.485 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -8.712 -3.044 2.788 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -7.368 -3.245 3.938 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -9.036 -3.602 4.446 1.00 0.00 H new ATOM 1249 N MET A 159 -9.700 0.417 6.394 1.00 0.00 N ATOM 1250 CA MET A 159 -10.087 1.755 6.828 1.00 0.00 C ATOM 1251 C MET A 159 -9.639 2.008 8.263 1.00 0.00 C ATOM 1252 O MET A 159 -9.132 3.082 8.587 1.00 0.00 O ATOM 1253 CB MET A 159 -11.603 1.932 6.718 1.00 0.00 C ATOM 1254 CG MET A 159 -12.165 1.545 5.360 1.00 0.00 C ATOM 1255 SD MET A 159 -13.967 1.587 5.317 1.00 0.00 S ATOM 1256 CE MET A 159 -14.321 0.051 4.467 1.00 0.00 C ATOM 0 H MET A 159 -10.482 -0.222 6.252 1.00 0.00 H new ATOM 0 HA MET A 159 -9.596 2.478 6.177 1.00 0.00 H new ATOM 0 HB2 MET A 159 -12.087 1.330 7.487 1.00 0.00 H new ATOM 0 HB3 MET A 159 -11.854 2.973 6.923 1.00 0.00 H new ATOM 0 HG2 MET A 159 -11.771 2.222 4.602 1.00 0.00 H new ATOM 0 HG3 MET A 159 -11.822 0.543 5.101 1.00 0.00 H new ATOM 0 HE1 MET A 159 -15.378 -0.192 4.579 1.00 0.00 H new ATOM 0 HE2 MET A 159 -14.084 0.158 3.409 1.00 0.00 H new ATOM 0 HE3 MET A 159 -13.717 -0.749 4.895 1.00 0.00 H new ATOM 1266 N GLU A 160 -9.829 1.009 9.119 1.00 0.00 N ATOM 1267 CA GLU A 160 -9.445 1.118 10.522 1.00 0.00 C ATOM 1268 C GLU A 160 -7.951 1.395 10.654 1.00 0.00 C ATOM 1269 O GLU A 160 -7.541 2.328 11.344 1.00 0.00 O ATOM 1270 CB GLU A 160 -9.807 -0.164 11.273 1.00 0.00 C ATOM 1271 CG GLU A 160 -10.197 0.070 12.724 1.00 0.00 C ATOM 1272 CD GLU A 160 -11.699 0.125 12.922 1.00 0.00 C ATOM 1273 OE1 GLU A 160 -12.411 -0.682 12.288 1.00 0.00 O ATOM 1274 OE2 GLU A 160 -12.163 0.974 13.711 1.00 0.00 O ATOM 0 H GLU A 160 -10.247 0.114 8.865 1.00 0.00 H new ATOM 0 HA GLU A 160 -9.992 1.953 10.960 1.00 0.00 H new ATOM 0 HB2 GLU A 160 -10.632 -0.656 10.758 1.00 0.00 H new ATOM 0 HB3 GLU A 160 -8.958 -0.847 11.239 1.00 0.00 H new ATOM 0 HG2 GLU A 160 -9.782 -0.727 13.341 1.00 0.00 H new ATOM 0 HG3 GLU A 160 -9.754 1.004 13.069 1.00 0.00 H new ATOM 1281 N LEU A 161 -7.143 0.578 9.987 1.00 0.00 N ATOM 1282 CA LEU A 161 -5.694 0.737 10.028 1.00 0.00 C ATOM 1283 C LEU A 161 -5.285 2.107 9.498 1.00 0.00 C ATOM 1284 O LEU A 161 -4.363 2.735 10.018 1.00 0.00 O ATOM 1285 CB LEU A 161 -5.016 -0.365 9.211 1.00 0.00 C ATOM 1286 CG LEU A 161 -5.117 -1.770 9.808 1.00 0.00 C ATOM 1287 CD1 LEU A 161 -4.943 -2.824 8.726 1.00 0.00 C ATOM 1288 CD2 LEU A 161 -4.083 -1.956 10.908 1.00 0.00 C ATOM 0 H LEU A 161 -7.466 -0.200 9.412 1.00 0.00 H new ATOM 0 HA LEU A 161 -5.372 0.658 11.066 1.00 0.00 H new ATOM 0 HB2 LEU A 161 -5.455 -0.378 8.213 1.00 0.00 H new ATOM 0 HB3 LEU A 161 -3.962 -0.112 9.092 1.00 0.00 H new ATOM 0 HG LEU A 161 -6.109 -1.889 10.245 1.00 0.00 H new ATOM 0 HD11 LEU A 161 -5.018 -3.817 9.170 1.00 0.00 H new ATOM 0 HD12 LEU A 161 -5.721 -2.704 7.972 1.00 0.00 H new ATOM 0 HD13 LEU A 161 -3.965 -2.708 8.259 1.00 0.00 H new ATOM 0 HD21 LEU A 161 -4.169 -2.961 11.322 1.00 0.00 H new ATOM 0 HD22 LEU A 161 -3.084 -1.818 10.495 1.00 0.00 H new ATOM 0 HD23 LEU A 161 -4.255 -1.223 11.696 1.00 0.00 H new ATOM 1300 N HIS A 162 -5.980 2.566 8.462 1.00 0.00 N ATOM 1301 CA HIS A 162 -5.691 3.864 7.862 1.00 0.00 C ATOM 1302 C HIS A 162 -5.826 4.980 8.893 1.00 0.00 C ATOM 1303 O HIS A 162 -4.886 5.741 9.126 1.00 0.00 O ATOM 1304 CB HIS A 162 -6.635 4.125 6.687 1.00 0.00 C ATOM 1305 CG HIS A 162 -6.283 5.342 5.889 1.00 0.00 C ATOM 1306 ND1 HIS A 162 -6.463 5.423 4.524 1.00 0.00 N ATOM 1307 CD2 HIS A 162 -5.762 6.534 6.268 1.00 0.00 C ATOM 1308 CE1 HIS A 162 -6.067 6.609 4.099 1.00 0.00 C ATOM 1309 NE2 HIS A 162 -5.638 7.302 5.137 1.00 0.00 N ATOM 0 H HIS A 162 -6.747 2.059 8.021 1.00 0.00 H new ATOM 0 HA HIS A 162 -4.663 3.850 7.499 1.00 0.00 H new ATOM 0 HB2 HIS A 162 -6.630 3.256 6.029 1.00 0.00 H new ATOM 0 HB3 HIS A 162 -7.651 4.232 7.066 1.00 0.00 H new ATOM 0 HD2 HIS A 162 -5.494 6.826 7.273 1.00 0.00 H new ATOM 0 HE1 HIS A 162 -6.090 6.953 3.076 1.00 0.00 H new ATOM 0 HE2 HIS A 162 -5.273 8.254 5.104 1.00 0.00 H new ATOM 1318 N LYS A 163 -7.000 5.071 9.508 1.00 0.00 N ATOM 1319 CA LYS A 163 -7.258 6.093 10.516 1.00 0.00 C ATOM 1320 C LYS A 163 -6.377 5.881 11.742 1.00 0.00 C ATOM 1321 O LYS A 163 -6.002 6.836 12.422 1.00 0.00 O ATOM 1322 CB LYS A 163 -8.733 6.074 10.924 1.00 0.00 C ATOM 1323 CG LYS A 163 -9.112 7.186 11.888 1.00 0.00 C ATOM 1324 CD LYS A 163 -10.160 6.723 12.888 1.00 0.00 C ATOM 1325 CE LYS A 163 -10.657 7.874 13.747 1.00 0.00 C ATOM 1326 NZ LYS A 163 -11.033 9.058 12.927 1.00 0.00 N ATOM 0 H LYS A 163 -7.788 4.450 9.326 1.00 0.00 H new ATOM 0 HA LYS A 163 -7.020 7.065 10.083 1.00 0.00 H new ATOM 0 HB2 LYS A 163 -9.350 6.154 10.029 1.00 0.00 H new ATOM 0 HB3 LYS A 163 -8.962 5.112 11.384 1.00 0.00 H new ATOM 0 HG2 LYS A 163 -8.224 7.525 12.421 1.00 0.00 H new ATOM 0 HG3 LYS A 163 -9.494 8.040 11.328 1.00 0.00 H new ATOM 0 HD2 LYS A 163 -11.000 6.276 12.356 1.00 0.00 H new ATOM 0 HD3 LYS A 163 -9.738 5.947 13.526 1.00 0.00 H new ATOM 0 HE2 LYS A 163 -11.519 7.547 14.328 1.00 0.00 H new ATOM 0 HE3 LYS A 163 -9.881 8.157 14.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 163 -11.624 9.699 13.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 163 -10.173 9.557 12.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 163 -11.566 8.746 12.090 1.00 0.00 H new ATOM 1340 N SER A 164 -6.050 4.623 12.019 1.00 0.00 N ATOM 1341 CA SER A 164 -5.213 4.285 13.164 1.00 0.00 C ATOM 1342 C SER A 164 -3.837 4.937 13.053 1.00 0.00 C ATOM 1343 O SER A 164 -3.158 5.146 14.058 1.00 0.00 O ATOM 1344 CB SER A 164 -5.065 2.766 13.283 1.00 0.00 C ATOM 1345 OG SER A 164 -3.995 2.289 12.483 1.00 0.00 O ATOM 0 H SER A 164 -6.352 3.821 11.466 1.00 0.00 H new ATOM 0 HA SER A 164 -5.700 4.668 14.061 1.00 0.00 H new ATOM 0 HB2 SER A 164 -4.892 2.496 14.325 1.00 0.00 H new ATOM 0 HB3 SER A 164 -5.993 2.283 12.978 1.00 0.00 H new ATOM 0 HG SER A 164 -3.999 2.754 11.620 1.00 0.00 H new ATOM 1351 N TYR A 165 -3.429 5.257 11.828 1.00 0.00 N ATOM 1352 CA TYR A 165 -2.134 5.885 11.595 1.00 0.00 C ATOM 1353 C TYR A 165 -2.263 7.405 11.563 1.00 0.00 C ATOM 1354 O TYR A 165 -3.206 7.945 10.985 1.00 0.00 O ATOM 1355 CB TYR A 165 -1.530 5.388 10.280 1.00 0.00 C ATOM 1356 CG TYR A 165 -1.443 3.882 10.182 1.00 0.00 C ATOM 1357 CD1 TYR A 165 -0.950 3.125 11.238 1.00 0.00 C ATOM 1358 CD2 TYR A 165 -1.852 3.218 9.033 1.00 0.00 C ATOM 1359 CE1 TYR A 165 -0.869 1.748 11.151 1.00 0.00 C ATOM 1360 CE2 TYR A 165 -1.774 1.841 8.938 1.00 0.00 C ATOM 1361 CZ TYR A 165 -1.281 1.112 9.999 1.00 0.00 C ATOM 1362 OH TYR A 165 -1.201 -0.259 9.909 1.00 0.00 O ATOM 0 H TYR A 165 -3.976 5.092 10.983 1.00 0.00 H new ATOM 0 HA TYR A 165 -1.474 5.610 12.418 1.00 0.00 H new ATOM 0 HB2 TYR A 165 -2.129 5.763 9.450 1.00 0.00 H new ATOM 0 HB3 TYR A 165 -0.531 5.809 10.167 1.00 0.00 H new ATOM 0 HD1 TYR A 165 -0.625 3.621 12.141 1.00 0.00 H new ATOM 0 HD2 TYR A 165 -2.237 3.787 8.200 1.00 0.00 H new ATOM 0 HE1 TYR A 165 -0.485 1.173 11.981 1.00 0.00 H new ATOM 0 HE2 TYR A 165 -2.097 1.339 8.038 1.00 0.00 H new ATOM 0 HH TYR A 165 -0.404 -0.507 9.396 1.00 0.00 H new ATOM 1372 N ARG A 166 -1.309 8.087 12.186 1.00 0.00 N ATOM 1373 CA ARG A 166 -1.314 9.544 12.228 1.00 0.00 C ATOM 1374 C ARG A 166 0.083 10.083 12.521 1.00 0.00 C ATOM 1375 O ARG A 166 0.831 9.501 13.306 1.00 0.00 O ATOM 1376 CB ARG A 166 -2.298 10.041 13.288 1.00 0.00 C ATOM 1377 CG ARG A 166 -1.923 9.636 14.704 1.00 0.00 C ATOM 1378 CD ARG A 166 -3.143 9.585 15.610 1.00 0.00 C ATOM 1379 NE ARG A 166 -2.947 8.683 16.742 1.00 0.00 N ATOM 1380 CZ ARG A 166 -3.706 8.690 17.836 1.00 0.00 C ATOM 1381 NH1 ARG A 166 -4.711 9.550 17.949 1.00 0.00 N ATOM 1382 NH2 ARG A 166 -3.460 7.835 18.819 1.00 0.00 N ATOM 0 H ARG A 166 -0.522 7.654 12.669 1.00 0.00 H new ATOM 0 HA ARG A 166 -1.628 9.911 11.251 1.00 0.00 H new ATOM 0 HB2 ARG A 166 -2.359 11.128 13.234 1.00 0.00 H new ATOM 0 HB3 ARG A 166 -3.291 9.654 13.059 1.00 0.00 H new ATOM 0 HG2 ARG A 166 -1.439 8.659 14.688 1.00 0.00 H new ATOM 0 HG3 ARG A 166 -1.199 10.344 15.107 1.00 0.00 H new ATOM 0 HD2 ARG A 166 -3.363 10.587 15.979 1.00 0.00 H new ATOM 0 HD3 ARG A 166 -4.009 9.260 15.034 1.00 0.00 H new ATOM 0 HE ARG A 166 -2.184 8.008 16.691 1.00 0.00 H new ATOM 0 HH11 ARG A 166 -4.905 10.210 17.196 1.00 0.00 H new ATOM 0 HH12 ARG A 166 -5.289 9.551 18.789 1.00 0.00 H new ATOM 0 HH21 ARG A 166 -2.689 7.172 18.737 1.00 0.00 H new ATOM 0 HH22 ARG A 166 -4.041 7.840 19.657 1.00 0.00 H new ATOM 1396 N SER A 167 0.429 11.197 11.879 1.00 0.00 N ATOM 1397 CA SER A 167 1.739 11.820 12.062 1.00 0.00 C ATOM 1398 C SER A 167 2.814 11.055 11.296 1.00 0.00 C ATOM 1399 O SER A 167 3.952 10.939 11.751 1.00 0.00 O ATOM 1400 CB SER A 167 2.103 11.894 13.549 1.00 0.00 C ATOM 1401 OG SER A 167 2.520 13.200 13.908 1.00 0.00 O ATOM 0 H SER A 167 -0.181 11.688 11.226 1.00 0.00 H new ATOM 0 HA SER A 167 1.686 12.834 11.666 1.00 0.00 H new ATOM 0 HB2 SER A 167 1.242 11.605 14.152 1.00 0.00 H new ATOM 0 HB3 SER A 167 2.899 11.182 13.768 1.00 0.00 H new ATOM 0 HG SER A 167 2.745 13.221 14.862 1.00 0.00 H new ATOM 1407 N MET A 168 2.444 10.537 10.129 1.00 0.00 N ATOM 1408 CA MET A 168 3.373 9.785 9.294 1.00 0.00 C ATOM 1409 C MET A 168 3.507 10.432 7.919 1.00 0.00 C ATOM 1410 O MET A 168 2.584 11.091 7.441 1.00 0.00 O ATOM 1411 CB MET A 168 2.901 8.336 9.147 1.00 0.00 C ATOM 1412 CG MET A 168 3.818 7.480 8.288 1.00 0.00 C ATOM 1413 SD MET A 168 3.869 5.760 8.828 1.00 0.00 S ATOM 1414 CE MET A 168 2.127 5.347 8.808 1.00 0.00 C ATOM 0 H MET A 168 1.505 10.625 9.740 1.00 0.00 H new ATOM 0 HA MET A 168 4.350 9.792 9.778 1.00 0.00 H new ATOM 0 HB2 MET A 168 2.821 7.887 10.137 1.00 0.00 H new ATOM 0 HB3 MET A 168 1.901 8.331 8.713 1.00 0.00 H new ATOM 0 HG2 MET A 168 3.482 7.522 7.252 1.00 0.00 H new ATOM 0 HG3 MET A 168 4.826 7.895 8.314 1.00 0.00 H new ATOM 0 HE1 MET A 168 1.999 4.325 8.451 1.00 0.00 H new ATOM 0 HE2 MET A 168 1.721 5.432 9.816 1.00 0.00 H new ATOM 0 HE3 MET A 168 1.598 6.032 8.145 1.00 0.00 H new ATOM 1424 N THR A 169 4.660 10.240 7.287 1.00 0.00 N ATOM 1425 CA THR A 169 4.911 10.807 5.967 1.00 0.00 C ATOM 1426 C THR A 169 4.750 9.749 4.878 1.00 0.00 C ATOM 1427 O THR A 169 4.756 8.551 5.160 1.00 0.00 O ATOM 1428 CB THR A 169 6.316 11.407 5.906 1.00 0.00 C ATOM 1429 OG1 THR A 169 7.298 10.386 5.903 1.00 0.00 O ATOM 1430 CG2 THR A 169 6.622 12.335 7.062 1.00 0.00 C ATOM 0 H THR A 169 5.435 9.697 7.667 1.00 0.00 H new ATOM 0 HA THR A 169 4.178 11.595 5.793 1.00 0.00 H new ATOM 0 HB THR A 169 6.343 11.984 4.982 1.00 0.00 H new ATOM 0 HG1 THR A 169 8.190 10.790 5.862 1.00 0.00 H new ATOM 0 HG21 THR A 169 7.634 12.726 6.957 1.00 0.00 H new ATOM 0 HG22 THR A 169 5.912 13.162 7.062 1.00 0.00 H new ATOM 0 HG23 THR A 169 6.540 11.786 8.000 1.00 0.00 H new ATOM 1438 N PRO A 170 4.604 10.181 3.614 1.00 0.00 N ATOM 1439 CA PRO A 170 4.443 9.265 2.479 1.00 0.00 C ATOM 1440 C PRO A 170 5.613 8.296 2.357 1.00 0.00 C ATOM 1441 O PRO A 170 5.423 7.085 2.247 1.00 0.00 O ATOM 1442 CB PRO A 170 4.397 10.195 1.263 1.00 0.00 C ATOM 1443 CG PRO A 170 4.006 11.525 1.808 1.00 0.00 C ATOM 1444 CD PRO A 170 4.588 11.591 3.190 1.00 0.00 C ATOM 0 HA PRO A 170 3.555 8.641 2.584 1.00 0.00 H new ATOM 0 HB2 PRO A 170 5.366 10.242 0.765 1.00 0.00 H new ATOM 0 HB3 PRO A 170 3.676 9.844 0.525 1.00 0.00 H new ATOM 0 HG2 PRO A 170 4.391 12.331 1.183 1.00 0.00 H new ATOM 0 HG3 PRO A 170 2.922 11.632 1.835 1.00 0.00 H new ATOM 0 HD2 PRO A 170 5.589 12.022 3.185 1.00 0.00 H new ATOM 0 HD3 PRO A 170 3.980 12.205 3.854 1.00 0.00 H new ATOM 1452 N ALA A 171 6.825 8.842 2.376 1.00 0.00 N ATOM 1453 CA ALA A 171 8.036 8.034 2.267 1.00 0.00 C ATOM 1454 C ALA A 171 8.016 6.865 3.247 1.00 0.00 C ATOM 1455 O ALA A 171 8.388 5.745 2.899 1.00 0.00 O ATOM 1456 CB ALA A 171 9.267 8.898 2.500 1.00 0.00 C ATOM 0 H ALA A 171 6.995 9.844 2.466 1.00 0.00 H new ATOM 0 HA ALA A 171 8.075 7.623 1.258 1.00 0.00 H new ATOM 0 HB1 ALA A 171 10.164 8.284 2.416 1.00 0.00 H new ATOM 0 HB2 ALA A 171 9.300 9.693 1.755 1.00 0.00 H new ATOM 0 HB3 ALA A 171 9.220 9.337 3.497 1.00 0.00 H new ATOM 1462 N GLN A 172 7.576 7.132 4.473 1.00 0.00 N ATOM 1463 CA GLN A 172 7.505 6.099 5.501 1.00 0.00 C ATOM 1464 C GLN A 172 6.624 4.941 5.041 1.00 0.00 C ATOM 1465 O GLN A 172 6.966 3.774 5.233 1.00 0.00 O ATOM 1466 CB GLN A 172 6.966 6.686 6.808 1.00 0.00 C ATOM 1467 CG GLN A 172 7.986 6.702 7.934 1.00 0.00 C ATOM 1468 CD GLN A 172 8.946 7.872 7.834 1.00 0.00 C ATOM 1469 OE1 GLN A 172 8.837 8.845 8.581 1.00 0.00 O ATOM 1470 NE2 GLN A 172 9.893 7.783 6.908 1.00 0.00 N ATOM 0 H GLN A 172 7.264 8.054 4.779 1.00 0.00 H new ATOM 0 HA GLN A 172 8.512 5.719 5.675 1.00 0.00 H new ATOM 0 HB2 GLN A 172 6.623 7.704 6.625 1.00 0.00 H new ATOM 0 HB3 GLN A 172 6.097 6.109 7.124 1.00 0.00 H new ATOM 0 HG2 GLN A 172 7.465 6.745 8.891 1.00 0.00 H new ATOM 0 HG3 GLN A 172 8.552 5.770 7.920 1.00 0.00 H new ATOM 0 HE21 GLN A 172 9.946 6.958 6.311 1.00 0.00 H new ATOM 0 HE22 GLN A 172 10.567 8.540 6.794 1.00 0.00 H new ATOM 1479 N ALA A 173 5.492 5.274 4.429 1.00 0.00 N ATOM 1480 CA ALA A 173 4.565 4.263 3.937 1.00 0.00 C ATOM 1481 C ALA A 173 5.166 3.508 2.756 1.00 0.00 C ATOM 1482 O ALA A 173 5.053 2.286 2.665 1.00 0.00 O ATOM 1483 CB ALA A 173 3.246 4.908 3.540 1.00 0.00 C ATOM 0 H ALA A 173 5.195 6.236 4.262 1.00 0.00 H new ATOM 0 HA ALA A 173 4.378 3.548 4.738 1.00 0.00 H new ATOM 0 HB1 ALA A 173 2.562 4.142 3.174 1.00 0.00 H new ATOM 0 HB2 ALA A 173 2.807 5.402 4.407 1.00 0.00 H new ATOM 0 HB3 ALA A 173 3.422 5.643 2.754 1.00 0.00 H new ATOM 1489 N ASP A 174 5.809 4.247 1.858 1.00 0.00 N ATOM 1490 CA ASP A 174 6.436 3.653 0.684 1.00 0.00 C ATOM 1491 C ASP A 174 7.510 2.649 1.095 1.00 0.00 C ATOM 1492 O ASP A 174 7.617 1.559 0.528 1.00 0.00 O ATOM 1493 CB ASP A 174 7.057 4.745 -0.190 1.00 0.00 C ATOM 1494 CG ASP A 174 6.026 5.461 -1.040 1.00 0.00 C ATOM 1495 OD1 ASP A 174 5.280 6.298 -0.490 1.00 0.00 O ATOM 1496 OD2 ASP A 174 5.965 5.186 -2.257 1.00 0.00 O ATOM 0 H ASP A 174 5.909 5.260 1.922 1.00 0.00 H new ATOM 0 HA ASP A 174 5.668 3.129 0.115 1.00 0.00 H new ATOM 0 HB2 ASP A 174 7.566 5.469 0.446 1.00 0.00 H new ATOM 0 HB3 ASP A 174 7.813 4.302 -0.838 1.00 0.00 H new ATOM 1501 N LEU A 175 8.296 3.032 2.094 1.00 0.00 N ATOM 1502 CA LEU A 175 9.369 2.187 2.608 1.00 0.00 C ATOM 1503 C LEU A 175 8.826 1.007 3.415 1.00 0.00 C ATOM 1504 O LEU A 175 9.475 -0.033 3.518 1.00 0.00 O ATOM 1505 CB LEU A 175 10.316 3.016 3.477 1.00 0.00 C ATOM 1506 CG LEU A 175 11.728 2.448 3.622 1.00 0.00 C ATOM 1507 CD1 LEU A 175 12.351 2.209 2.255 1.00 0.00 C ATOM 1508 CD2 LEU A 175 12.595 3.387 4.448 1.00 0.00 C ATOM 0 H LEU A 175 8.209 3.931 2.569 1.00 0.00 H new ATOM 0 HA LEU A 175 9.911 1.785 1.752 1.00 0.00 H new ATOM 0 HB2 LEU A 175 10.386 4.019 3.056 1.00 0.00 H new ATOM 0 HB3 LEU A 175 9.878 3.117 4.470 1.00 0.00 H new ATOM 0 HG LEU A 175 11.664 1.491 4.141 1.00 0.00 H new ATOM 0 HD11 LEU A 175 13.356 1.805 2.379 1.00 0.00 H new ATOM 0 HD12 LEU A 175 11.741 1.500 1.696 1.00 0.00 H new ATOM 0 HD13 LEU A 175 12.404 3.151 1.709 1.00 0.00 H new ATOM 0 HD21 LEU A 175 13.597 2.969 4.542 1.00 0.00 H new ATOM 0 HD22 LEU A 175 12.652 4.358 3.955 1.00 0.00 H new ATOM 0 HD23 LEU A 175 12.158 3.508 5.439 1.00 0.00 H new ATOM 1520 N GLU A 176 7.648 1.184 4.007 1.00 0.00 N ATOM 1521 CA GLU A 176 7.043 0.141 4.829 1.00 0.00 C ATOM 1522 C GLU A 176 6.568 -1.048 3.989 1.00 0.00 C ATOM 1523 O GLU A 176 6.897 -2.196 4.292 1.00 0.00 O ATOM 1524 CB GLU A 176 5.898 0.737 5.667 1.00 0.00 C ATOM 1525 CG GLU A 176 4.508 0.203 5.343 1.00 0.00 C ATOM 1526 CD GLU A 176 4.302 -1.220 5.823 1.00 0.00 C ATOM 1527 OE1 GLU A 176 4.724 -1.532 6.956 1.00 0.00 O ATOM 1528 OE2 GLU A 176 3.718 -2.024 5.065 1.00 0.00 O ATOM 0 H GLU A 176 7.095 2.038 3.933 1.00 0.00 H new ATOM 0 HA GLU A 176 7.805 -0.247 5.505 1.00 0.00 H new ATOM 0 HB2 GLU A 176 6.105 0.549 6.721 1.00 0.00 H new ATOM 0 HB3 GLU A 176 5.895 1.818 5.531 1.00 0.00 H new ATOM 0 HG2 GLU A 176 3.759 0.849 5.801 1.00 0.00 H new ATOM 0 HG3 GLU A 176 4.349 0.245 4.266 1.00 0.00 H new ATOM 1535 N PHE A 177 5.796 -0.780 2.940 1.00 0.00 N ATOM 1536 CA PHE A 177 5.294 -1.850 2.085 1.00 0.00 C ATOM 1537 C PHE A 177 6.421 -2.428 1.238 1.00 0.00 C ATOM 1538 O PHE A 177 6.508 -3.641 1.051 1.00 0.00 O ATOM 1539 CB PHE A 177 4.153 -1.345 1.195 1.00 0.00 C ATOM 1540 CG PHE A 177 3.811 -2.265 0.055 1.00 0.00 C ATOM 1541 CD1 PHE A 177 4.572 -2.262 -1.104 1.00 0.00 C ATOM 1542 CD2 PHE A 177 2.733 -3.130 0.142 1.00 0.00 C ATOM 1543 CE1 PHE A 177 4.263 -3.104 -2.154 1.00 0.00 C ATOM 1544 CE2 PHE A 177 2.419 -3.976 -0.905 1.00 0.00 C ATOM 1545 CZ PHE A 177 3.185 -3.962 -2.055 1.00 0.00 C ATOM 0 H PHE A 177 5.507 0.158 2.664 1.00 0.00 H new ATOM 0 HA PHE A 177 4.901 -2.642 2.723 1.00 0.00 H new ATOM 0 HB2 PHE A 177 3.265 -1.199 1.809 1.00 0.00 H new ATOM 0 HB3 PHE A 177 4.425 -0.370 0.792 1.00 0.00 H new ATOM 0 HD1 PHE A 177 5.416 -1.593 -1.187 1.00 0.00 H new ATOM 0 HD2 PHE A 177 2.131 -3.144 1.038 1.00 0.00 H new ATOM 0 HE1 PHE A 177 4.864 -3.092 -3.052 1.00 0.00 H new ATOM 0 HE2 PHE A 177 1.576 -4.647 -0.824 1.00 0.00 H new ATOM 0 HZ PHE A 177 2.941 -4.621 -2.875 1.00 0.00 H new ATOM 1555 N LEU A 178 7.289 -1.556 0.734 1.00 0.00 N ATOM 1556 CA LEU A 178 8.411 -1.998 -0.081 1.00 0.00 C ATOM 1557 C LEU A 178 9.320 -2.919 0.725 1.00 0.00 C ATOM 1558 O LEU A 178 9.795 -3.935 0.220 1.00 0.00 O ATOM 1559 CB LEU A 178 9.200 -0.794 -0.600 1.00 0.00 C ATOM 1560 CG LEU A 178 8.533 -0.037 -1.749 1.00 0.00 C ATOM 1561 CD1 LEU A 178 9.403 1.125 -2.201 1.00 0.00 C ATOM 1562 CD2 LEU A 178 8.250 -0.977 -2.911 1.00 0.00 C ATOM 0 H LEU A 178 7.236 -0.547 0.875 1.00 0.00 H new ATOM 0 HA LEU A 178 8.022 -2.552 -0.935 1.00 0.00 H new ATOM 0 HB2 LEU A 178 9.364 -0.102 0.226 1.00 0.00 H new ATOM 0 HB3 LEU A 178 10.181 -1.135 -0.930 1.00 0.00 H new ATOM 0 HG LEU A 178 7.585 0.365 -1.392 1.00 0.00 H new ATOM 0 HD11 LEU A 178 8.911 1.651 -3.019 1.00 0.00 H new ATOM 0 HD12 LEU A 178 9.555 1.811 -1.368 1.00 0.00 H new ATOM 0 HD13 LEU A 178 10.367 0.747 -2.540 1.00 0.00 H new ATOM 0 HD21 LEU A 178 7.775 -0.422 -3.720 1.00 0.00 H new ATOM 0 HD22 LEU A 178 9.186 -1.408 -3.267 1.00 0.00 H new ATOM 0 HD23 LEU A 178 7.586 -1.775 -2.580 1.00 0.00 H new ATOM 1574 N GLU A 179 9.545 -2.560 1.985 1.00 0.00 N ATOM 1575 CA GLU A 179 10.385 -3.354 2.874 1.00 0.00 C ATOM 1576 C GLU A 179 9.699 -4.667 3.236 1.00 0.00 C ATOM 1577 O GLU A 179 10.353 -5.694 3.425 1.00 0.00 O ATOM 1578 CB GLU A 179 10.709 -2.564 4.144 1.00 0.00 C ATOM 1579 CG GLU A 179 11.589 -3.323 5.124 1.00 0.00 C ATOM 1580 CD GLU A 179 12.923 -2.641 5.361 1.00 0.00 C ATOM 1581 OE1 GLU A 179 13.454 -2.030 4.411 1.00 0.00 O ATOM 1582 OE2 GLU A 179 13.435 -2.719 6.498 1.00 0.00 O ATOM 0 H GLU A 179 9.155 -1.721 2.414 1.00 0.00 H new ATOM 0 HA GLU A 179 11.314 -3.582 2.352 1.00 0.00 H new ATOM 0 HB2 GLU A 179 11.206 -1.634 3.867 1.00 0.00 H new ATOM 0 HB3 GLU A 179 9.778 -2.292 4.640 1.00 0.00 H new ATOM 0 HG2 GLU A 179 11.064 -3.425 6.074 1.00 0.00 H new ATOM 0 HG3 GLU A 179 11.763 -4.330 4.746 1.00 0.00 H new ATOM 1589 N ASN A 180 8.375 -4.627 3.312 1.00 0.00 N ATOM 1590 CA ASN A 180 7.598 -5.816 3.633 1.00 0.00 C ATOM 1591 C ASN A 180 7.632 -6.791 2.461 1.00 0.00 C ATOM 1592 O ASN A 180 7.923 -7.975 2.628 1.00 0.00 O ATOM 1593 CB ASN A 180 6.156 -5.425 3.952 1.00 0.00 C ATOM 1594 CG ASN A 180 5.884 -5.384 5.443 1.00 0.00 C ATOM 1595 OD1 ASN A 180 5.895 -6.414 6.117 1.00 0.00 O ATOM 1596 ND2 ASN A 180 5.638 -4.188 5.966 1.00 0.00 N ATOM 0 H ASN A 180 7.819 -3.787 3.156 1.00 0.00 H new ATOM 0 HA ASN A 180 8.033 -6.301 4.507 1.00 0.00 H new ATOM 0 HB2 ASN A 180 5.944 -4.447 3.520 1.00 0.00 H new ATOM 0 HB3 ASN A 180 5.477 -6.136 3.481 1.00 0.00 H new ATOM 0 HD21 ASN A 180 5.448 -4.097 6.964 1.00 0.00 H new ATOM 0 HD22 ASN A 180 5.639 -3.361 5.370 1.00 0.00 H new ATOM 1603 N ALA A 181 7.340 -6.274 1.274 1.00 0.00 N ATOM 1604 CA ALA A 181 7.342 -7.082 0.062 1.00 0.00 C ATOM 1605 C ALA A 181 8.731 -7.652 -0.205 1.00 0.00 C ATOM 1606 O ALA A 181 8.873 -8.791 -0.649 1.00 0.00 O ATOM 1607 CB ALA A 181 6.864 -6.259 -1.124 1.00 0.00 C ATOM 0 H ALA A 181 7.098 -5.294 1.125 1.00 0.00 H new ATOM 0 HA ALA A 181 6.655 -7.916 0.204 1.00 0.00 H new ATOM 0 HB1 ALA A 181 6.871 -6.877 -2.022 1.00 0.00 H new ATOM 0 HB2 ALA A 181 5.851 -5.904 -0.936 1.00 0.00 H new ATOM 0 HB3 ALA A 181 7.527 -5.405 -1.265 1.00 0.00 H new ATOM 1613 N LYS A 182 9.754 -6.852 0.079 1.00 0.00 N ATOM 1614 CA LYS A 182 11.134 -7.278 -0.120 1.00 0.00 C ATOM 1615 C LYS A 182 11.482 -8.413 0.836 1.00 0.00 C ATOM 1616 O LYS A 182 12.225 -9.329 0.485 1.00 0.00 O ATOM 1617 CB LYS A 182 12.097 -6.106 0.084 1.00 0.00 C ATOM 1618 CG LYS A 182 13.197 -6.034 -0.964 1.00 0.00 C ATOM 1619 CD LYS A 182 14.564 -6.316 -0.361 1.00 0.00 C ATOM 1620 CE LYS A 182 15.116 -5.099 0.364 1.00 0.00 C ATOM 1621 NZ LYS A 182 15.793 -5.470 1.636 1.00 0.00 N ATOM 0 H LYS A 182 9.653 -5.906 0.447 1.00 0.00 H new ATOM 0 HA LYS A 182 11.236 -7.636 -1.145 1.00 0.00 H new ATOM 0 HB2 LYS A 182 11.531 -5.175 0.070 1.00 0.00 H new ATOM 0 HB3 LYS A 182 12.552 -6.187 1.071 1.00 0.00 H new ATOM 0 HG2 LYS A 182 12.993 -6.754 -1.757 1.00 0.00 H new ATOM 0 HG3 LYS A 182 13.198 -5.046 -1.424 1.00 0.00 H new ATOM 0 HD2 LYS A 182 14.490 -7.152 0.334 1.00 0.00 H new ATOM 0 HD3 LYS A 182 15.255 -6.616 -1.149 1.00 0.00 H new ATOM 0 HE2 LYS A 182 15.821 -4.579 -0.284 1.00 0.00 H new ATOM 0 HE3 LYS A 182 14.304 -4.403 0.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 16.155 -4.612 2.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 15.114 -5.943 2.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 16.584 -6.114 1.433 1.00 0.00 H new ATOM 1635 N LYS A 183 10.933 -8.347 2.045 1.00 0.00 N ATOM 1636 CA LYS A 183 11.176 -9.372 3.054 1.00 0.00 C ATOM 1637 C LYS A 183 10.487 -10.683 2.681 1.00 0.00 C ATOM 1638 O LYS A 183 10.833 -11.744 3.199 1.00 0.00 O ATOM 1639 CB LYS A 183 10.674 -8.899 4.420 1.00 0.00 C ATOM 1640 CG LYS A 183 11.647 -9.176 5.555 1.00 0.00 C ATOM 1641 CD LYS A 183 11.150 -8.592 6.868 1.00 0.00 C ATOM 1642 CE LYS A 183 11.486 -7.114 6.982 1.00 0.00 C ATOM 1643 NZ LYS A 183 11.239 -6.592 8.355 1.00 0.00 N ATOM 0 H LYS A 183 10.316 -7.594 2.350 1.00 0.00 H new ATOM 0 HA LYS A 183 12.251 -9.546 3.103 1.00 0.00 H new ATOM 0 HB2 LYS A 183 10.477 -7.828 4.375 1.00 0.00 H new ATOM 0 HB3 LYS A 183 9.725 -9.389 4.638 1.00 0.00 H new ATOM 0 HG2 LYS A 183 11.785 -10.252 5.663 1.00 0.00 H new ATOM 0 HG3 LYS A 183 12.621 -8.752 5.312 1.00 0.00 H new ATOM 0 HD2 LYS A 183 10.071 -8.728 6.943 1.00 0.00 H new ATOM 0 HD3 LYS A 183 11.598 -9.134 7.701 1.00 0.00 H new ATOM 0 HE2 LYS A 183 12.532 -6.958 6.717 1.00 0.00 H new ATOM 0 HE3 LYS A 183 10.888 -6.550 6.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 183 11.480 -5.581 8.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 183 10.236 -6.717 8.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 183 11.828 -7.113 9.036 1.00 0.00 H new ATOM 1657 N LEU A 184 9.504 -10.601 1.790 1.00 0.00 N ATOM 1658 CA LEU A 184 8.762 -11.780 1.362 1.00 0.00 C ATOM 1659 C LEU A 184 9.141 -12.206 -0.056 1.00 0.00 C ATOM 1660 O LEU A 184 8.497 -13.076 -0.642 1.00 0.00 O ATOM 1661 CB LEU A 184 7.268 -11.508 1.450 1.00 0.00 C ATOM 1662 CG LEU A 184 6.722 -11.502 2.876 1.00 0.00 C ATOM 1663 CD1 LEU A 184 6.318 -10.099 3.289 1.00 0.00 C ATOM 1664 CD2 LEU A 184 5.557 -12.463 3.005 1.00 0.00 C ATOM 0 H LEU A 184 9.203 -9.731 1.351 1.00 0.00 H new ATOM 0 HA LEU A 184 9.023 -12.601 2.029 1.00 0.00 H new ATOM 0 HB2 LEU A 184 7.056 -10.544 0.987 1.00 0.00 H new ATOM 0 HB3 LEU A 184 6.737 -12.264 0.871 1.00 0.00 H new ATOM 0 HG LEU A 184 7.512 -11.836 3.548 1.00 0.00 H new ATOM 0 HD11 LEU A 184 5.932 -10.117 4.308 1.00 0.00 H new ATOM 0 HD12 LEU A 184 7.186 -9.442 3.241 1.00 0.00 H new ATOM 0 HD13 LEU A 184 5.546 -9.729 2.615 1.00 0.00 H new ATOM 0 HD21 LEU A 184 5.182 -12.445 4.028 1.00 0.00 H new ATOM 0 HD22 LEU A 184 4.762 -12.165 2.321 1.00 0.00 H new ATOM 0 HD23 LEU A 184 5.888 -13.472 2.758 1.00 0.00 H new ATOM 1676 N SER A 185 10.190 -11.595 -0.601 1.00 0.00 N ATOM 1677 CA SER A 185 10.651 -11.921 -1.947 1.00 0.00 C ATOM 1678 C SER A 185 9.533 -11.746 -2.973 1.00 0.00 C ATOM 1679 O SER A 185 9.248 -12.653 -3.757 1.00 0.00 O ATOM 1680 CB SER A 185 11.182 -13.355 -1.991 1.00 0.00 C ATOM 1681 OG SER A 185 11.895 -13.672 -0.808 1.00 0.00 O ATOM 0 H SER A 185 10.736 -10.872 -0.132 1.00 0.00 H new ATOM 0 HA SER A 185 11.456 -11.232 -2.202 1.00 0.00 H new ATOM 0 HB2 SER A 185 10.352 -14.050 -2.116 1.00 0.00 H new ATOM 0 HB3 SER A 185 11.834 -13.478 -2.856 1.00 0.00 H new ATOM 0 HG SER A 185 12.222 -14.594 -0.861 1.00 0.00 H new ATOM 1687 N MET A 186 8.905 -10.575 -2.967 1.00 0.00 N ATOM 1688 CA MET A 186 7.823 -10.284 -3.902 1.00 0.00 C ATOM 1689 C MET A 186 8.331 -9.453 -5.076 1.00 0.00 C ATOM 1690 O MET A 186 7.576 -8.695 -5.685 1.00 0.00 O ATOM 1691 CB MET A 186 6.689 -9.542 -3.192 1.00 0.00 C ATOM 1692 CG MET A 186 6.235 -10.210 -1.904 1.00 0.00 C ATOM 1693 SD MET A 186 4.868 -9.340 -1.113 1.00 0.00 S ATOM 1694 CE MET A 186 3.478 -9.938 -2.070 1.00 0.00 C ATOM 0 H MET A 186 9.126 -9.813 -2.326 1.00 0.00 H new ATOM 0 HA MET A 186 7.443 -11.231 -4.284 1.00 0.00 H new ATOM 0 HB2 MET A 186 7.015 -8.526 -2.969 1.00 0.00 H new ATOM 0 HB3 MET A 186 5.839 -9.462 -3.869 1.00 0.00 H new ATOM 0 HG2 MET A 186 5.932 -11.235 -2.118 1.00 0.00 H new ATOM 0 HG3 MET A 186 7.075 -10.264 -1.212 1.00 0.00 H new ATOM 0 HE1 MET A 186 2.800 -9.111 -2.283 1.00 0.00 H new ATOM 0 HE2 MET A 186 3.837 -10.363 -3.007 1.00 0.00 H new ATOM 0 HE3 MET A 186 2.949 -10.704 -1.503 1.00 0.00 H new ATOM 1704 N TYR A 187 9.616 -9.598 -5.388 1.00 0.00 N ATOM 1705 CA TYR A 187 10.224 -8.857 -6.487 1.00 0.00 C ATOM 1706 C TYR A 187 10.786 -9.808 -7.538 1.00 0.00 C ATOM 1707 O TYR A 187 10.869 -11.022 -7.254 1.00 0.00 O ATOM 1708 CB TYR A 187 11.335 -7.946 -5.960 1.00 0.00 C ATOM 1709 CG TYR A 187 10.833 -6.822 -5.082 1.00 0.00 C ATOM 1710 CD1 TYR A 187 10.098 -7.085 -3.933 1.00 0.00 C ATOM 1711 CD2 TYR A 187 11.095 -5.496 -5.403 1.00 0.00 C ATOM 1712 CE1 TYR A 187 9.638 -6.060 -3.129 1.00 0.00 C ATOM 1713 CE2 TYR A 187 10.639 -4.465 -4.603 1.00 0.00 C ATOM 1714 CZ TYR A 187 9.911 -4.753 -3.468 1.00 0.00 C ATOM 1715 OH TYR A 187 9.455 -3.729 -2.670 1.00 0.00 O ATOM 1716 OXT TYR A 187 11.138 -9.332 -8.638 1.00 0.00 O ATOM 0 H TYR A 187 10.255 -10.222 -4.895 1.00 0.00 H new ATOM 0 HA TYR A 187 9.451 -8.245 -6.953 1.00 0.00 H new ATOM 0 HB2 TYR A 187 12.048 -8.546 -5.395 1.00 0.00 H new ATOM 0 HB3 TYR A 187 11.876 -7.521 -6.805 1.00 0.00 H new ATOM 0 HD1 TYR A 187 9.882 -8.108 -3.664 1.00 0.00 H new ATOM 0 HD2 TYR A 187 11.664 -5.267 -6.292 1.00 0.00 H new ATOM 0 HE1 TYR A 187 9.067 -6.282 -2.239 1.00 0.00 H new ATOM 0 HE2 TYR A 187 10.852 -3.439 -4.866 1.00 0.00 H new ATOM 0 HH TYR A 187 9.623 -3.947 -1.730 1.00 0.00 H new TER 1726 TYR A 187