USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 449 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 21 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 22 ASN : amide:sc= -4.21! C(o=-4.2!,f=-8.1!) USER MOD Set 2.1: A 9 SER OG : rot 180:sc= 0.0187 USER MOD Set 2.2: A 10 GLN : amide:sc= -2.72! C(o=-2.7!,f=-9.1!) USER MOD Set 3.1: A 5 ASN : amide:sc= -1.71! C(o=-0.77!,f=-13!) USER MOD Set 3.2: A 13 THR OG1 : rot 97:sc= 0.943 USER MOD Set 4.1: A 4 HIS : no HE2:sc= -4.64! C(o=-11!,f=-17!) USER MOD Set 4.2: A 6 GLN : amide:sc= -3.65! C(o=-11!,f=-12!) USER MOD Set 4.3: A 61 ASN : amide:sc= -2.64! C(o=-11!,f=-13!) USER MOD Single : A 1 LEU N :NH3+ 139:sc= 0.0265 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -0.0125 X(o=-0.013,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= -0.427 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0042 USER MOD Single : A 18 SER OG : rot 28:sc= 0.553 USER MOD Single : A 24 TYR OH : rot 165:sc= -0.872 USER MOD Single : A 25 LYS NZ :NH3+ -164:sc= 1.59 (180deg=1.23) USER MOD Single : A 26 LYS NZ :NH3+ -122:sc= -2.32 (180deg=-4.49!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.158 X(o=-0.16,f=-0.43) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 56 THR OG1 : rot 180:sc= -4.67! USER MOD Single : A 60 ASN : amide:sc= -2.95! C(o=-2.9!,f=-20!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -6.210 -15.268 2.094 1.00 0.00 N ATOM 2 CA LEU A 1 -5.830 -14.264 1.114 1.00 0.00 C ATOM 3 C LEU A 1 -4.651 -13.453 1.654 1.00 0.00 C ATOM 4 O LEU A 1 -4.636 -13.074 2.824 1.00 0.00 O ATOM 5 CB LEU A 1 -7.039 -13.410 0.727 1.00 0.00 C ATOM 6 CG LEU A 1 -6.744 -12.188 -0.146 1.00 0.00 C ATOM 7 CD1 LEU A 1 -6.582 -12.589 -1.613 1.00 0.00 C ATOM 8 CD2 LEU A 1 -7.814 -11.111 0.039 1.00 0.00 C ATOM 0 H1 LEU A 1 -7.247 -15.328 2.145 1.00 0.00 H new ATOM 0 H2 LEU A 1 -5.823 -16.192 1.813 1.00 0.00 H new ATOM 0 H3 LEU A 1 -5.832 -15.004 3.026 1.00 0.00 H new ATOM 0 HA LEU A 1 -5.495 -14.738 0.191 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -7.753 -14.044 0.201 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -7.526 -13.070 1.641 1.00 0.00 H new ATOM 0 HG LEU A 1 -5.796 -11.758 0.177 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -6.373 -11.702 -2.212 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -5.756 -13.294 -1.708 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -7.501 -13.057 -1.966 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -7.580 -10.254 -0.592 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -8.788 -11.513 -0.241 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -7.838 -10.797 1.083 1.00 0.00 H new ATOM 22 N GLU A 2 -3.690 -13.209 0.774 1.00 0.00 N ATOM 23 CA GLU A 2 -2.509 -12.450 1.147 1.00 0.00 C ATOM 24 C GLU A 2 -2.509 -11.090 0.446 1.00 0.00 C ATOM 25 O GLU A 2 -2.968 -10.973 -0.689 1.00 0.00 O ATOM 26 CB GLU A 2 -1.232 -13.231 0.830 1.00 0.00 C ATOM 27 CG GLU A 2 -1.272 -14.625 1.458 1.00 0.00 C ATOM 28 CD GLU A 2 -2.151 -15.571 0.637 1.00 0.00 C ATOM 29 OE1 GLU A 2 -2.437 -15.213 -0.526 1.00 0.00 O ATOM 30 OE2 GLU A 2 -2.516 -16.631 1.191 1.00 0.00 O ATOM 0 H GLU A 2 -3.706 -13.524 -0.196 1.00 0.00 H new ATOM 0 HA GLU A 2 -2.534 -12.282 2.224 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -1.113 -13.318 -0.250 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.365 -12.685 1.203 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -0.261 -15.027 1.524 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -1.655 -14.558 2.476 1.00 0.00 H new ATOM 37 N CYS A 3 -1.987 -10.096 1.150 1.00 0.00 N ATOM 38 CA CYS A 3 -1.921 -8.750 0.609 1.00 0.00 C ATOM 39 C CYS A 3 -0.553 -8.159 0.956 1.00 0.00 C ATOM 40 O CYS A 3 -0.068 -8.323 2.074 1.00 0.00 O ATOM 41 CB CYS A 3 -3.067 -7.876 1.124 1.00 0.00 C ATOM 42 SG CYS A 3 -4.713 -8.676 1.099 1.00 0.00 S ATOM 0 H CYS A 3 -1.606 -10.197 2.091 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.037 -8.785 -0.474 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -2.842 -7.572 2.146 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.111 -6.968 0.523 1.00 0.00 H new ATOM 47 N HIS A 4 0.030 -7.484 -0.024 1.00 0.00 N ATOM 48 CA HIS A 4 1.333 -6.869 0.164 1.00 0.00 C ATOM 49 C HIS A 4 1.242 -5.797 1.252 1.00 0.00 C ATOM 50 O HIS A 4 0.290 -5.019 1.284 1.00 0.00 O ATOM 51 CB HIS A 4 1.873 -6.325 -1.161 1.00 0.00 C ATOM 52 CG HIS A 4 2.570 -7.359 -2.011 1.00 0.00 C ATOM 53 ND1 HIS A 4 3.924 -7.627 -1.906 1.00 0.00 N ATOM 54 CD2 HIS A 4 2.088 -8.189 -2.980 1.00 0.00 C ATOM 55 CE1 HIS A 4 4.231 -8.576 -2.778 1.00 0.00 C ATOM 56 NE2 HIS A 4 3.092 -8.923 -3.443 1.00 0.00 N ATOM 0 H HIS A 4 -0.376 -7.350 -0.950 1.00 0.00 H new ATOM 0 HA HIS A 4 2.048 -7.619 0.501 1.00 0.00 H new ATOM 0 HB2 HIS A 4 1.047 -5.898 -1.730 1.00 0.00 H new ATOM 0 HB3 HIS A 4 2.569 -5.513 -0.952 1.00 0.00 H new ATOM 0 HD1 HIS A 4 4.575 -7.171 -1.266 1.00 0.00 H new ATOM 0 HD2 HIS A 4 1.062 -8.240 -3.314 1.00 0.00 H new ATOM 0 HE1 HIS A 4 5.212 -9.001 -2.935 1.00 0.00 H new ATOM 65 N ASN A 5 2.246 -5.791 2.117 1.00 0.00 N ATOM 66 CA ASN A 5 2.291 -4.828 3.204 1.00 0.00 C ATOM 67 C ASN A 5 3.553 -3.973 3.069 1.00 0.00 C ATOM 68 O ASN A 5 3.945 -3.287 4.012 1.00 0.00 O ATOM 69 CB ASN A 5 2.339 -5.531 4.562 1.00 0.00 C ATOM 70 CG ASN A 5 3.761 -5.990 4.891 1.00 0.00 C ATOM 71 OD1 ASN A 5 4.422 -6.659 4.113 1.00 0.00 O ATOM 72 ND2 ASN A 5 4.194 -5.596 6.085 1.00 0.00 N ATOM 0 H ASN A 5 3.034 -6.438 2.087 1.00 0.00 H new ATOM 0 HA ASN A 5 1.392 -4.214 3.148 1.00 0.00 H new ATOM 0 HB2 ASN A 5 1.982 -4.854 5.339 1.00 0.00 H new ATOM 0 HB3 ASN A 5 1.668 -6.390 4.555 1.00 0.00 H new ATOM 0 HD21 ASN A 5 5.130 -5.852 6.398 1.00 0.00 H new ATOM 0 HD22 ASN A 5 3.590 -5.037 6.688 1.00 0.00 H new ATOM 79 N GLN A 6 4.153 -4.042 1.890 1.00 0.00 N ATOM 80 CA GLN A 6 5.362 -3.283 1.620 1.00 0.00 C ATOM 81 C GLN A 6 5.033 -1.797 1.466 1.00 0.00 C ATOM 82 O GLN A 6 4.005 -1.442 0.890 1.00 0.00 O ATOM 83 CB GLN A 6 6.080 -3.818 0.379 1.00 0.00 C ATOM 84 CG GLN A 6 5.077 -4.218 -0.704 1.00 0.00 C ATOM 85 CD GLN A 6 5.658 -3.990 -2.101 1.00 0.00 C ATOM 86 OE1 GLN A 6 6.115 -2.912 -2.444 1.00 0.00 O ATOM 87 NE2 GLN A 6 5.617 -5.063 -2.886 1.00 0.00 N ATOM 0 H GLN A 6 3.824 -4.612 1.111 1.00 0.00 H new ATOM 0 HA GLN A 6 6.037 -3.399 2.468 1.00 0.00 H new ATOM 0 HB2 GLN A 6 6.757 -3.057 -0.010 1.00 0.00 H new ATOM 0 HB3 GLN A 6 6.690 -4.679 0.650 1.00 0.00 H new ATOM 0 HG2 GLN A 6 4.807 -5.267 -0.585 1.00 0.00 H new ATOM 0 HG3 GLN A 6 4.161 -3.639 -0.588 1.00 0.00 H new ATOM 0 HE21 GLN A 6 5.221 -5.936 -2.537 1.00 0.00 H new ATOM 0 HE22 GLN A 6 5.982 -5.013 -3.837 1.00 0.00 H new ATOM 96 N GLN A 7 5.924 -0.969 1.989 1.00 0.00 N ATOM 97 CA GLN A 7 5.741 0.471 1.917 1.00 0.00 C ATOM 98 C GLN A 7 6.705 1.078 0.896 1.00 0.00 C ATOM 99 O GLN A 7 7.718 0.469 0.555 1.00 0.00 O ATOM 100 CB GLN A 7 5.920 1.117 3.292 1.00 0.00 C ATOM 101 CG GLN A 7 6.302 2.592 3.159 1.00 0.00 C ATOM 102 CD GLN A 7 6.503 3.232 4.534 1.00 0.00 C ATOM 103 OE1 GLN A 7 7.332 2.815 5.327 1.00 0.00 O ATOM 104 NE2 GLN A 7 5.702 4.267 4.772 1.00 0.00 N ATOM 0 H GLN A 7 6.775 -1.267 2.465 1.00 0.00 H new ATOM 0 HA GLN A 7 4.721 0.672 1.589 1.00 0.00 H new ATOM 0 HB2 GLN A 7 4.996 1.027 3.863 1.00 0.00 H new ATOM 0 HB3 GLN A 7 6.692 0.586 3.849 1.00 0.00 H new ATOM 0 HG2 GLN A 7 7.217 2.683 2.574 1.00 0.00 H new ATOM 0 HG3 GLN A 7 5.522 3.126 2.616 1.00 0.00 H new ATOM 0 HE21 GLN A 7 5.030 4.565 4.065 1.00 0.00 H new ATOM 0 HE22 GLN A 7 5.760 4.763 5.661 1.00 0.00 H new ATOM 113 N SER A 8 6.357 2.271 0.436 1.00 0.00 N ATOM 114 CA SER A 8 7.179 2.967 -0.538 1.00 0.00 C ATOM 115 C SER A 8 7.820 1.961 -1.496 1.00 0.00 C ATOM 116 O SER A 8 7.148 1.061 -1.998 1.00 0.00 O ATOM 117 CB SER A 8 8.257 3.807 0.149 1.00 0.00 C ATOM 118 OG SER A 8 7.736 4.549 1.248 1.00 0.00 O ATOM 0 H SER A 8 5.516 2.773 0.720 1.00 0.00 H new ATOM 0 HA SER A 8 6.538 3.642 -1.105 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.057 3.154 0.499 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.698 4.492 -0.575 1.00 0.00 H new ATOM 0 HG SER A 8 8.456 5.071 1.661 1.00 0.00 H new ATOM 124 N SER A 9 9.113 2.147 -1.721 1.00 0.00 N ATOM 125 CA SER A 9 9.852 1.266 -2.609 1.00 0.00 C ATOM 126 C SER A 9 10.488 0.129 -1.808 1.00 0.00 C ATOM 127 O SER A 9 11.150 -0.740 -2.375 1.00 0.00 O ATOM 128 CB SER A 9 10.926 2.037 -3.380 1.00 0.00 C ATOM 129 OG SER A 9 11.567 3.016 -2.568 1.00 0.00 O ATOM 0 H SER A 9 9.667 2.895 -1.304 1.00 0.00 H new ATOM 0 HA SER A 9 9.154 0.846 -3.333 1.00 0.00 H new ATOM 0 HB2 SER A 9 11.671 1.338 -3.761 1.00 0.00 H new ATOM 0 HB3 SER A 9 10.473 2.523 -4.244 1.00 0.00 H new ATOM 0 HG SER A 9 12.247 3.485 -3.096 1.00 0.00 H new ATOM 135 N GLN A 10 10.265 0.170 -0.503 1.00 0.00 N ATOM 136 CA GLN A 10 10.808 -0.847 0.382 1.00 0.00 C ATOM 137 C GLN A 10 10.608 -2.238 -0.222 1.00 0.00 C ATOM 138 O GLN A 10 9.884 -2.393 -1.205 1.00 0.00 O ATOM 139 CB GLN A 10 10.178 -0.757 1.773 1.00 0.00 C ATOM 140 CG GLN A 10 10.110 0.695 2.251 1.00 0.00 C ATOM 141 CD GLN A 10 11.250 1.523 1.655 1.00 0.00 C ATOM 142 OE1 GLN A 10 11.082 2.258 0.696 1.00 0.00 O ATOM 143 NE2 GLN A 10 12.416 1.363 2.275 1.00 0.00 N ATOM 0 H GLN A 10 9.715 0.892 -0.037 1.00 0.00 H new ATOM 0 HA GLN A 10 11.878 -0.671 0.492 1.00 0.00 H new ATOM 0 HB2 GLN A 10 9.175 -1.183 1.750 1.00 0.00 H new ATOM 0 HB3 GLN A 10 10.760 -1.349 2.479 1.00 0.00 H new ATOM 0 HG2 GLN A 10 9.152 1.131 1.966 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.164 0.726 3.339 1.00 0.00 H new ATOM 0 HE21 GLN A 10 12.487 0.731 3.073 1.00 0.00 H new ATOM 0 HE22 GLN A 10 13.239 1.872 1.953 1.00 0.00 H new ATOM 152 N PRO A 11 11.261 -3.214 0.390 1.00 0.00 N ATOM 153 CA PRO A 11 11.216 -4.620 -0.015 1.00 0.00 C ATOM 154 C PRO A 11 9.772 -5.127 0.026 1.00 0.00 C ATOM 155 O PRO A 11 9.087 -4.975 1.036 1.00 0.00 O ATOM 156 CB PRO A 11 12.047 -5.333 1.054 1.00 0.00 C ATOM 157 CG PRO A 11 12.964 -4.261 1.567 1.00 0.00 C ATOM 158 CD PRO A 11 12.121 -3.017 1.560 1.00 0.00 C ATOM 0 HA PRO A 11 11.589 -4.785 -1.026 1.00 0.00 H new ATOM 0 HB2 PRO A 11 11.418 -5.735 1.848 1.00 0.00 H new ATOM 0 HB3 PRO A 11 12.605 -6.170 0.635 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.324 -4.492 2.570 1.00 0.00 H new ATOM 0 HG3 PRO A 11 13.842 -4.150 0.930 1.00 0.00 H new ATOM 0 HD2 PRO A 11 11.540 -2.917 2.477 1.00 0.00 H new ATOM 0 HD3 PRO A 11 12.729 -2.117 1.468 1.00 0.00 H new ATOM 166 N PRO A 12 9.353 -5.717 -1.084 1.00 0.00 N ATOM 167 CA PRO A 12 8.012 -6.275 -1.267 1.00 0.00 C ATOM 168 C PRO A 12 7.748 -7.351 -0.212 1.00 0.00 C ATOM 169 O PRO A 12 8.526 -8.294 -0.075 1.00 0.00 O ATOM 170 CB PRO A 12 8.072 -6.913 -2.657 1.00 0.00 C ATOM 171 CG PRO A 12 9.159 -6.149 -3.355 1.00 0.00 C ATOM 172 CD PRO A 12 10.179 -5.893 -2.281 1.00 0.00 C ATOM 0 HA PRO A 12 7.222 -5.529 -1.173 1.00 0.00 H new ATOM 0 HB2 PRO A 12 8.304 -7.976 -2.599 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.120 -6.822 -3.180 1.00 0.00 H new ATOM 0 HG2 PRO A 12 9.584 -6.723 -4.178 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.783 -5.217 -3.777 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.872 -6.727 -2.175 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.777 -5.007 -2.494 1.00 0.00 H new ATOM 180 N THR A 13 6.649 -7.174 0.507 1.00 0.00 N ATOM 181 CA THR A 13 6.274 -8.119 1.545 1.00 0.00 C ATOM 182 C THR A 13 4.795 -8.491 1.419 1.00 0.00 C ATOM 183 O THR A 13 4.081 -7.936 0.585 1.00 0.00 O ATOM 184 CB THR A 13 6.632 -7.501 2.898 1.00 0.00 C ATOM 185 OG1 THR A 13 6.313 -6.121 2.745 1.00 0.00 O ATOM 186 CG2 THR A 13 8.139 -7.508 3.165 1.00 0.00 C ATOM 0 H THR A 13 6.006 -6.390 0.391 1.00 0.00 H new ATOM 0 HA THR A 13 6.822 -9.056 1.444 1.00 0.00 H new ATOM 0 HB THR A 13 6.120 -8.045 3.692 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.424 -5.948 3.118 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.338 -7.058 4.138 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.505 -8.535 3.158 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.649 -6.936 2.390 1.00 0.00 H new ATOM 194 N THR A 14 4.380 -9.427 2.260 1.00 0.00 N ATOM 195 CA THR A 14 2.999 -9.879 2.253 1.00 0.00 C ATOM 196 C THR A 14 2.534 -10.196 3.676 1.00 0.00 C ATOM 197 O THR A 14 3.353 -10.452 4.557 1.00 0.00 O ATOM 198 CB THR A 14 2.897 -11.072 1.300 1.00 0.00 C ATOM 199 OG1 THR A 14 4.104 -11.797 1.521 1.00 0.00 O ATOM 200 CG2 THR A 14 2.975 -10.656 -0.170 1.00 0.00 C ATOM 0 H THR A 14 4.975 -9.884 2.950 1.00 0.00 H new ATOM 0 HA THR A 14 2.329 -9.098 1.893 1.00 0.00 H new ATOM 0 HB THR A 14 1.960 -11.599 1.478 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.120 -12.589 0.944 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.898 -11.540 -0.803 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.157 -9.973 -0.399 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.926 -10.158 -0.357 1.00 0.00 H new ATOM 208 N LYS A 15 1.222 -10.168 3.856 1.00 0.00 N ATOM 209 CA LYS A 15 0.639 -10.450 5.156 1.00 0.00 C ATOM 210 C LYS A 15 -0.733 -11.100 4.966 1.00 0.00 C ATOM 211 O LYS A 15 -1.425 -10.822 3.987 1.00 0.00 O ATOM 212 CB LYS A 15 0.605 -9.183 6.014 1.00 0.00 C ATOM 213 CG LYS A 15 0.425 -9.527 7.494 1.00 0.00 C ATOM 214 CD LYS A 15 1.746 -9.986 8.114 1.00 0.00 C ATOM 215 CE LYS A 15 1.528 -10.532 9.527 1.00 0.00 C ATOM 216 NZ LYS A 15 2.779 -11.125 10.052 1.00 0.00 N ATOM 0 H LYS A 15 0.546 -9.954 3.123 1.00 0.00 H new ATOM 0 HA LYS A 15 1.256 -11.162 5.703 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.530 -8.622 5.877 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -0.210 -8.539 5.685 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.051 -8.655 8.031 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.323 -10.313 7.600 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.197 -10.756 7.488 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.446 -9.151 8.147 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.194 -9.730 10.186 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.739 -11.284 9.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.614 -11.491 11.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.081 -11.903 9.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.522 -10.398 10.082 1.00 0.00 H new ATOM 230 N THR A 16 -1.085 -11.954 5.916 1.00 0.00 N ATOM 231 CA THR A 16 -2.361 -12.646 5.865 1.00 0.00 C ATOM 232 C THR A 16 -3.493 -11.711 6.297 1.00 0.00 C ATOM 233 O THR A 16 -3.404 -11.064 7.339 1.00 0.00 O ATOM 234 CB THR A 16 -2.251 -13.905 6.727 1.00 0.00 C ATOM 235 OG1 THR A 16 -0.957 -14.420 6.426 1.00 0.00 O ATOM 236 CG2 THR A 16 -3.206 -15.011 6.273 1.00 0.00 C ATOM 0 H THR A 16 -0.508 -12.182 6.726 1.00 0.00 H new ATOM 0 HA THR A 16 -2.604 -12.951 4.847 1.00 0.00 H new ATOM 0 HB THR A 16 -2.457 -13.651 7.767 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.802 -15.237 6.944 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.087 -15.882 6.918 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.233 -14.652 6.333 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.978 -15.288 5.244 1.00 0.00 H new ATOM 244 N CYS A 17 -4.530 -11.669 5.473 1.00 0.00 N ATOM 245 CA CYS A 17 -5.677 -10.824 5.757 1.00 0.00 C ATOM 246 C CYS A 17 -6.606 -11.580 6.710 1.00 0.00 C ATOM 247 O CYS A 17 -7.063 -12.677 6.396 1.00 0.00 O ATOM 248 CB CYS A 17 -6.397 -10.399 4.476 1.00 0.00 C ATOM 249 SG CYS A 17 -5.293 -9.979 3.079 1.00 0.00 S ATOM 0 H CYS A 17 -4.600 -12.206 4.609 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.344 -9.901 6.232 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.062 -11.205 4.165 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.024 -9.535 4.698 1.00 0.00 H new ATOM 254 N SER A 18 -6.857 -10.961 7.854 1.00 0.00 N ATOM 255 CA SER A 18 -7.723 -11.562 8.855 1.00 0.00 C ATOM 256 C SER A 18 -9.101 -10.897 8.821 1.00 0.00 C ATOM 257 O SER A 18 -9.225 -9.704 9.092 1.00 0.00 O ATOM 258 CB SER A 18 -7.113 -11.446 10.253 1.00 0.00 C ATOM 259 OG SER A 18 -7.016 -10.091 10.683 1.00 0.00 O ATOM 0 H SER A 18 -6.476 -10.050 8.110 1.00 0.00 H new ATOM 0 HA SER A 18 -7.831 -12.621 8.622 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.721 -12.008 10.962 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.121 -11.899 10.254 1.00 0.00 H new ATOM 0 HG SER A 18 -7.713 -9.558 10.245 1.00 0.00 H new ATOM 265 N GLY A 19 -10.102 -11.699 8.486 1.00 0.00 N ATOM 266 CA GLY A 19 -11.465 -11.203 8.413 1.00 0.00 C ATOM 267 C GLY A 19 -11.702 -10.439 7.109 1.00 0.00 C ATOM 268 O GLY A 19 -12.841 -10.122 6.769 1.00 0.00 O ATOM 0 H GLY A 19 -9.995 -12.688 8.262 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -12.163 -12.037 8.482 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.664 -10.550 9.263 1.00 0.00 H new ATOM 272 N GLU A 20 -10.608 -10.166 6.413 1.00 0.00 N ATOM 273 CA GLU A 20 -10.683 -9.446 5.153 1.00 0.00 C ATOM 274 C GLU A 20 -10.514 -10.412 3.979 1.00 0.00 C ATOM 275 O GLU A 20 -9.981 -11.508 4.143 1.00 0.00 O ATOM 276 CB GLU A 20 -9.639 -8.328 5.098 1.00 0.00 C ATOM 277 CG GLU A 20 -9.505 -7.636 6.456 1.00 0.00 C ATOM 278 CD GLU A 20 -8.915 -6.233 6.300 1.00 0.00 C ATOM 279 OE1 GLU A 20 -7.676 -6.151 6.156 1.00 0.00 O ATOM 280 OE2 GLU A 20 -9.716 -5.274 6.328 1.00 0.00 O ATOM 0 H GLU A 20 -9.665 -10.430 6.698 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.667 -8.984 5.079 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.675 -8.740 4.799 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.922 -7.598 4.340 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.483 -7.572 6.934 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.868 -8.231 7.110 1.00 0.00 H new ATOM 287 N THR A 21 -10.978 -9.970 2.819 1.00 0.00 N ATOM 288 CA THR A 21 -10.886 -10.781 1.617 1.00 0.00 C ATOM 289 C THR A 21 -10.485 -9.917 0.420 1.00 0.00 C ATOM 290 O THR A 21 -10.625 -10.337 -0.728 1.00 0.00 O ATOM 291 CB THR A 21 -12.224 -11.499 1.428 1.00 0.00 C ATOM 292 OG1 THR A 21 -13.198 -10.499 1.713 1.00 0.00 O ATOM 293 CG2 THR A 21 -12.468 -12.572 2.491 1.00 0.00 C ATOM 0 H THR A 21 -11.419 -9.060 2.686 1.00 0.00 H new ATOM 0 HA THR A 21 -10.105 -11.536 1.708 1.00 0.00 H new ATOM 0 HB THR A 21 -12.254 -11.955 0.439 1.00 0.00 H new ATOM 0 HG1 THR A 21 -14.096 -10.879 1.613 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.431 -13.050 2.311 1.00 0.00 H new ATOM 0 HG22 THR A 21 -11.676 -13.320 2.442 1.00 0.00 H new ATOM 0 HG23 THR A 21 -12.471 -12.111 3.479 1.00 0.00 H new ATOM 301 N ASN A 22 -9.994 -8.726 0.729 1.00 0.00 N ATOM 302 CA ASN A 22 -9.572 -7.799 -0.308 1.00 0.00 C ATOM 303 C ASN A 22 -8.226 -7.184 0.082 1.00 0.00 C ATOM 304 O ASN A 22 -7.889 -7.117 1.263 1.00 0.00 O ATOM 305 CB ASN A 22 -10.581 -6.662 -0.474 1.00 0.00 C ATOM 306 CG ASN A 22 -11.958 -7.203 -0.863 1.00 0.00 C ATOM 307 OD1 ASN A 22 -12.317 -7.282 -2.027 1.00 0.00 O ATOM 308 ND2 ASN A 22 -12.707 -7.571 0.172 1.00 0.00 N ATOM 0 H ASN A 22 -9.879 -8.381 1.682 1.00 0.00 H new ATOM 0 HA ASN A 22 -9.495 -8.352 -1.244 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.657 -6.100 0.457 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.230 -5.968 -1.238 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -13.643 -7.946 0.017 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -12.346 -7.479 1.121 1.00 0.00 H new ATOM 315 N CYS A 23 -7.493 -6.751 -0.934 1.00 0.00 N ATOM 316 CA CYS A 23 -6.192 -6.144 -0.712 1.00 0.00 C ATOM 317 C CYS A 23 -6.248 -4.695 -1.202 1.00 0.00 C ATOM 318 O CYS A 23 -6.808 -4.415 -2.261 1.00 0.00 O ATOM 319 CB CYS A 23 -5.075 -6.934 -1.397 1.00 0.00 C ATOM 320 SG CYS A 23 -5.031 -8.716 -0.983 1.00 0.00 S ATOM 0 H CYS A 23 -7.776 -6.809 -1.912 1.00 0.00 H new ATOM 0 HA CYS A 23 -5.958 -6.158 0.353 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.184 -6.829 -2.476 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -4.117 -6.489 -1.128 1.00 0.00 H new ATOM 325 N TYR A 24 -5.661 -3.813 -0.407 1.00 0.00 N ATOM 326 CA TYR A 24 -5.638 -2.400 -0.746 1.00 0.00 C ATOM 327 C TYR A 24 -4.202 -1.905 -0.934 1.00 0.00 C ATOM 328 O TYR A 24 -3.269 -2.462 -0.357 1.00 0.00 O ATOM 329 CB TYR A 24 -6.264 -1.670 0.445 1.00 0.00 C ATOM 330 CG TYR A 24 -5.332 -1.535 1.651 1.00 0.00 C ATOM 331 CD1 TYR A 24 -4.430 -0.493 1.712 1.00 0.00 C ATOM 332 CD2 TYR A 24 -5.395 -2.454 2.678 1.00 0.00 C ATOM 333 CE1 TYR A 24 -3.553 -0.365 2.848 1.00 0.00 C ATOM 334 CE2 TYR A 24 -4.519 -2.327 3.814 1.00 0.00 C ATOM 335 CZ TYR A 24 -3.641 -1.288 3.842 1.00 0.00 C ATOM 336 OH TYR A 24 -2.814 -1.168 4.915 1.00 0.00 O ATOM 0 H TYR A 24 -5.198 -4.049 0.471 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.176 -2.220 -1.677 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -6.575 -0.675 0.126 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -7.164 -2.202 0.752 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.381 0.227 0.908 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -6.102 -3.269 2.630 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.842 0.446 2.908 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.558 -3.040 4.625 1.00 0.00 H new ATOM 0 HH TYR A 24 -3.140 -1.736 5.644 1.00 0.00 H new ATOM 346 N LYS A 25 -4.070 -0.865 -1.744 1.00 0.00 N ATOM 347 CA LYS A 25 -2.764 -0.289 -2.016 1.00 0.00 C ATOM 348 C LYS A 25 -2.886 1.235 -2.073 1.00 0.00 C ATOM 349 O LYS A 25 -3.603 1.773 -2.915 1.00 0.00 O ATOM 350 CB LYS A 25 -2.159 -0.905 -3.278 1.00 0.00 C ATOM 351 CG LYS A 25 -0.925 -0.123 -3.733 1.00 0.00 C ATOM 352 CD LYS A 25 -0.401 -0.654 -5.069 1.00 0.00 C ATOM 353 CE LYS A 25 0.680 0.267 -5.639 1.00 0.00 C ATOM 354 NZ LYS A 25 0.065 1.395 -6.374 1.00 0.00 N ATOM 0 H LYS A 25 -4.846 -0.406 -2.221 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.069 -0.524 -1.210 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.886 -1.942 -3.085 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.903 -0.914 -4.075 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.175 0.933 -3.830 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.144 -0.197 -2.977 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.005 -1.656 -4.932 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.224 -0.738 -5.779 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.304 0.649 -4.831 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.332 -0.297 -6.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.782 1.851 -6.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.710 1.040 -6.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.310 2.088 -5.695 1.00 0.00 H new ATOM 368 N LYS A 26 -2.173 1.888 -1.166 1.00 0.00 N ATOM 369 CA LYS A 26 -2.192 3.340 -1.103 1.00 0.00 C ATOM 370 C LYS A 26 -0.836 3.884 -1.557 1.00 0.00 C ATOM 371 O LYS A 26 0.202 3.288 -1.273 1.00 0.00 O ATOM 372 CB LYS A 26 -2.607 3.810 0.292 1.00 0.00 C ATOM 373 CG LYS A 26 -3.855 3.066 0.773 1.00 0.00 C ATOM 374 CD LYS A 26 -4.045 3.232 2.282 1.00 0.00 C ATOM 375 CE LYS A 26 -3.630 4.632 2.736 1.00 0.00 C ATOM 376 NZ LYS A 26 -2.196 4.654 3.105 1.00 0.00 N ATOM 0 H LYS A 26 -1.579 1.438 -0.469 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.941 3.741 -1.785 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.789 3.646 0.993 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.802 4.882 0.275 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.733 3.444 0.249 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.769 2.007 0.528 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -5.089 3.056 2.542 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.454 2.484 2.811 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.817 5.350 1.937 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.236 4.939 3.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.096 4.969 4.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.797 3.699 3.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.686 5.310 2.479 1.00 0.00 H new ATOM 390 N TRP A 27 -0.889 5.008 -2.255 1.00 0.00 N ATOM 391 CA TRP A 27 0.322 5.639 -2.751 1.00 0.00 C ATOM 392 C TRP A 27 0.006 7.108 -3.041 1.00 0.00 C ATOM 393 O TRP A 27 -1.098 7.435 -3.475 1.00 0.00 O ATOM 394 CB TRP A 27 0.869 4.893 -3.970 1.00 0.00 C ATOM 395 CG TRP A 27 0.026 5.066 -5.235 1.00 0.00 C ATOM 396 CD1 TRP A 27 0.204 5.943 -6.232 1.00 0.00 C ATOM 397 CD2 TRP A 27 -1.143 4.302 -5.600 1.00 0.00 C ATOM 398 NE1 TRP A 27 -0.760 5.801 -7.209 1.00 0.00 N ATOM 399 CE2 TRP A 27 -1.606 4.771 -6.813 1.00 0.00 C ATOM 400 CE3 TRP A 27 -1.788 3.249 -4.928 1.00 0.00 C ATOM 401 CZ2 TRP A 27 -2.732 4.248 -7.458 1.00 0.00 C ATOM 402 CZ3 TRP A 27 -2.913 2.737 -5.586 1.00 0.00 C ATOM 403 CH2 TRP A 27 -3.391 3.198 -6.807 1.00 0.00 C ATOM 0 H TRP A 27 -1.752 5.499 -2.489 1.00 0.00 H new ATOM 0 HA TRP A 27 1.114 5.595 -2.003 1.00 0.00 H new ATOM 0 HB2 TRP A 27 1.883 5.240 -4.171 1.00 0.00 H new ATOM 0 HB3 TRP A 27 0.937 3.831 -3.733 1.00 0.00 H new ATOM 0 HD1 TRP A 27 1.002 6.670 -6.267 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -0.838 6.351 -8.065 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -1.443 2.865 -3.979 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -3.074 4.633 -8.407 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -3.447 1.927 -5.111 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -4.267 2.748 -7.252 1.00 0.00 H new ATOM 414 N TRP A 28 0.995 7.954 -2.790 1.00 0.00 N ATOM 415 CA TRP A 28 0.836 9.380 -3.019 1.00 0.00 C ATOM 416 C TRP A 28 2.230 10.006 -3.085 1.00 0.00 C ATOM 417 O TRP A 28 3.225 9.346 -2.791 1.00 0.00 O ATOM 418 CB TRP A 28 -0.053 10.011 -1.946 1.00 0.00 C ATOM 419 CG TRP A 28 0.552 9.985 -0.541 1.00 0.00 C ATOM 420 CD1 TRP A 28 1.204 10.967 0.095 1.00 0.00 C ATOM 421 CD2 TRP A 28 0.535 8.875 0.382 1.00 0.00 C ATOM 422 NE1 TRP A 28 1.607 10.574 1.355 1.00 0.00 N ATOM 423 CE2 TRP A 28 1.187 9.261 1.535 1.00 0.00 C ATOM 424 CE3 TRP A 28 -0.013 7.588 0.246 1.00 0.00 C ATOM 425 CZ2 TRP A 28 1.352 8.419 2.641 1.00 0.00 C ATOM 426 CZ3 TRP A 28 0.160 6.758 1.361 1.00 0.00 C ATOM 427 CH2 TRP A 28 0.814 7.132 2.529 1.00 0.00 C ATOM 0 H TRP A 28 1.909 7.679 -2.430 1.00 0.00 H new ATOM 0 HA TRP A 28 0.326 9.565 -3.965 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -0.260 11.045 -2.222 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -1.009 9.489 -1.928 1.00 0.00 H new ATOM 0 HD1 TRP A 28 1.391 11.944 -0.326 1.00 0.00 H new ATOM 0 HE1 TRP A 28 2.119 11.142 2.030 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.527 7.265 -0.647 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 1.867 8.745 3.533 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.243 5.757 1.310 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.907 6.432 3.347 1.00 0.00 H new ATOM 438 N SER A 29 2.257 11.273 -3.473 1.00 0.00 N ATOM 439 CA SER A 29 3.513 11.996 -3.582 1.00 0.00 C ATOM 440 C SER A 29 3.678 12.939 -2.388 1.00 0.00 C ATOM 441 O SER A 29 2.692 13.391 -1.808 1.00 0.00 O ATOM 442 CB SER A 29 3.584 12.781 -4.893 1.00 0.00 C ATOM 443 OG SER A 29 2.583 13.791 -4.966 1.00 0.00 O ATOM 0 H SER A 29 1.429 11.817 -3.716 1.00 0.00 H new ATOM 0 HA SER A 29 4.327 11.271 -3.580 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.568 13.239 -4.988 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.469 12.095 -5.733 1.00 0.00 H new ATOM 0 HG SER A 29 2.663 14.270 -5.817 1.00 0.00 H new ATOM 449 N ASP A 30 4.932 13.208 -2.057 1.00 0.00 N ATOM 450 CA ASP A 30 5.240 14.089 -0.944 1.00 0.00 C ATOM 451 C ASP A 30 6.512 14.878 -1.259 1.00 0.00 C ATOM 452 O ASP A 30 7.232 14.551 -2.202 1.00 0.00 O ATOM 453 CB ASP A 30 5.484 13.291 0.339 1.00 0.00 C ATOM 454 CG ASP A 30 4.294 12.458 0.819 1.00 0.00 C ATOM 455 OD1 ASP A 30 3.856 11.590 0.034 1.00 0.00 O ATOM 456 OD2 ASP A 30 3.850 12.709 1.960 1.00 0.00 O ATOM 0 H ASP A 30 5.747 12.831 -2.541 1.00 0.00 H new ATOM 0 HA ASP A 30 4.391 14.756 -0.798 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.333 12.626 0.179 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.766 13.984 1.132 1.00 0.00 H new ATOM 461 N HIS A 31 6.750 15.902 -0.453 1.00 0.00 N ATOM 462 CA HIS A 31 7.923 16.741 -0.635 1.00 0.00 C ATOM 463 C HIS A 31 9.185 15.929 -0.334 1.00 0.00 C ATOM 464 O HIS A 31 10.296 16.375 -0.618 1.00 0.00 O ATOM 465 CB HIS A 31 7.819 18.011 0.211 1.00 0.00 C ATOM 466 CG HIS A 31 7.692 17.753 1.694 1.00 0.00 C ATOM 467 ND1 HIS A 31 6.470 17.589 2.324 1.00 0.00 N ATOM 468 CD2 HIS A 31 8.644 17.632 2.662 1.00 0.00 C ATOM 469 CE1 HIS A 31 6.690 17.380 3.613 1.00 0.00 C ATOM 470 NE2 HIS A 31 8.037 17.408 3.821 1.00 0.00 N ATOM 0 H HIS A 31 6.151 16.170 0.328 1.00 0.00 H new ATOM 0 HA HIS A 31 7.983 17.070 -1.672 1.00 0.00 H new ATOM 0 HB2 HIS A 31 8.701 18.626 0.034 1.00 0.00 H new ATOM 0 HB3 HIS A 31 6.956 18.588 -0.122 1.00 0.00 H new ATOM 0 HD2 HIS A 31 9.711 17.706 2.512 1.00 0.00 H new ATOM 0 HE1 HIS A 31 5.935 17.216 4.367 1.00 0.00 H new ATOM 0 HE2 HIS A 31 8.502 17.278 4.720 1.00 0.00 H new ATOM 479 N ARG A 32 8.972 14.754 0.238 1.00 0.00 N ATOM 480 CA ARG A 32 10.078 13.876 0.580 1.00 0.00 C ATOM 481 C ARG A 32 10.198 12.748 -0.446 1.00 0.00 C ATOM 482 O ARG A 32 11.288 12.223 -0.672 1.00 0.00 O ATOM 483 CB ARG A 32 9.891 13.272 1.973 1.00 0.00 C ATOM 484 CG ARG A 32 10.360 14.242 3.060 1.00 0.00 C ATOM 485 CD ARG A 32 10.300 13.588 4.442 1.00 0.00 C ATOM 486 NE ARG A 32 11.433 12.651 4.608 1.00 0.00 N ATOM 487 CZ ARG A 32 11.529 11.757 5.601 1.00 0.00 C ATOM 488 NH1 ARG A 32 10.560 11.673 6.523 1.00 0.00 N ATOM 489 NH2 ARG A 32 12.594 10.947 5.673 1.00 0.00 N ATOM 0 H ARG A 32 8.049 14.389 0.474 1.00 0.00 H new ATOM 0 HA ARG A 32 10.989 14.474 0.575 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.840 13.027 2.129 1.00 0.00 H new ATOM 0 HB3 ARG A 32 10.451 12.340 2.047 1.00 0.00 H new ATOM 0 HG2 ARG A 32 11.380 14.563 2.850 1.00 0.00 H new ATOM 0 HG3 ARG A 32 9.736 15.135 3.049 1.00 0.00 H new ATOM 0 HD2 ARG A 32 10.334 14.353 5.217 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.356 13.055 4.561 1.00 0.00 H new ATOM 0 HE ARG A 32 12.188 12.688 3.923 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.749 12.290 6.469 1.00 0.00 H new ATOM 0 HH12 ARG A 32 10.633 10.992 7.279 1.00 0.00 H new ATOM 0 HH21 ARG A 32 13.332 11.011 4.972 1.00 0.00 H new ATOM 0 HH22 ARG A 32 12.667 10.266 6.429 1.00 0.00 H new ATOM 503 N GLY A 33 9.064 12.407 -1.039 1.00 0.00 N ATOM 504 CA GLY A 33 9.028 11.350 -2.035 1.00 0.00 C ATOM 505 C GLY A 33 7.635 10.723 -2.119 1.00 0.00 C ATOM 506 O GLY A 33 6.702 11.184 -1.464 1.00 0.00 O ATOM 0 H GLY A 33 8.162 12.844 -0.849 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.309 11.753 -3.008 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.761 10.584 -1.784 1.00 0.00 H new ATOM 510 N THR A 34 7.539 9.680 -2.931 1.00 0.00 N ATOM 511 CA THR A 34 6.276 8.984 -3.109 1.00 0.00 C ATOM 512 C THR A 34 6.070 7.959 -1.993 1.00 0.00 C ATOM 513 O THR A 34 6.808 6.979 -1.901 1.00 0.00 O ATOM 514 CB THR A 34 6.269 8.367 -4.510 1.00 0.00 C ATOM 515 OG1 THR A 34 6.057 9.478 -5.377 1.00 0.00 O ATOM 516 CG2 THR A 34 5.053 7.470 -4.748 1.00 0.00 C ATOM 0 H THR A 34 8.315 9.300 -3.473 1.00 0.00 H new ATOM 0 HA THR A 34 5.433 9.671 -3.036 1.00 0.00 H new ATOM 0 HB THR A 34 7.181 7.788 -4.657 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.040 9.169 -6.307 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.097 7.058 -5.756 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.054 6.656 -4.023 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.141 8.056 -4.635 1.00 0.00 H new ATOM 524 N ILE A 35 5.063 8.220 -1.172 1.00 0.00 N ATOM 525 CA ILE A 35 4.750 7.332 -0.065 1.00 0.00 C ATOM 526 C ILE A 35 3.762 6.264 -0.537 1.00 0.00 C ATOM 527 O ILE A 35 2.767 6.578 -1.188 1.00 0.00 O ATOM 528 CB ILE A 35 4.260 8.133 1.142 1.00 0.00 C ATOM 529 CG1 ILE A 35 5.291 9.183 1.560 1.00 0.00 C ATOM 530 CG2 ILE A 35 3.885 7.206 2.300 1.00 0.00 C ATOM 531 CD1 ILE A 35 4.936 9.791 2.918 1.00 0.00 C ATOM 0 H ILE A 35 4.453 9.034 -1.251 1.00 0.00 H new ATOM 0 HA ILE A 35 5.647 6.811 0.271 1.00 0.00 H new ATOM 0 HB ILE A 35 3.356 8.668 0.851 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.280 8.727 1.609 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.340 9.970 0.807 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.540 7.801 3.145 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.090 6.531 1.983 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.758 6.625 2.598 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.685 10.534 3.191 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.957 10.267 2.859 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.912 9.005 3.673 1.00 0.00 H new ATOM 543 N ILE A 36 4.070 5.023 -0.191 1.00 0.00 N ATOM 544 CA ILE A 36 3.221 3.906 -0.571 1.00 0.00 C ATOM 545 C ILE A 36 2.900 3.070 0.669 1.00 0.00 C ATOM 546 O ILE A 36 3.806 2.598 1.356 1.00 0.00 O ATOM 547 CB ILE A 36 3.866 3.105 -1.704 1.00 0.00 C ATOM 548 CG1 ILE A 36 4.493 4.034 -2.745 1.00 0.00 C ATOM 549 CG2 ILE A 36 2.861 2.136 -2.331 1.00 0.00 C ATOM 550 CD1 ILE A 36 5.169 3.232 -3.859 1.00 0.00 C ATOM 0 H ILE A 36 4.896 4.766 0.349 1.00 0.00 H new ATOM 0 HA ILE A 36 2.271 4.266 -0.967 1.00 0.00 H new ATOM 0 HB ILE A 36 4.672 2.505 -1.282 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.725 4.679 -3.171 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.224 4.684 -2.264 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.345 1.579 -3.133 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.503 1.441 -1.571 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.018 2.697 -2.735 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.607 3.916 -4.586 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.953 2.606 -3.432 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.430 2.602 -4.353 1.00 0.00 H new ATOM 562 N GLU A 37 1.609 2.911 0.919 1.00 0.00 N ATOM 563 CA GLU A 37 1.157 2.140 2.064 1.00 0.00 C ATOM 564 C GLU A 37 0.144 1.080 1.625 1.00 0.00 C ATOM 565 O GLU A 37 -0.950 1.413 1.172 1.00 0.00 O ATOM 566 CB GLU A 37 0.565 3.052 3.140 1.00 0.00 C ATOM 567 CG GLU A 37 1.643 3.509 4.126 1.00 0.00 C ATOM 568 CD GLU A 37 1.955 2.411 5.144 1.00 0.00 C ATOM 569 OE1 GLU A 37 2.668 1.461 4.754 1.00 0.00 O ATOM 570 OE2 GLU A 37 1.474 2.546 6.290 1.00 0.00 O ATOM 0 H GLU A 37 0.861 3.304 0.347 1.00 0.00 H new ATOM 0 HA GLU A 37 2.019 1.633 2.498 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.104 3.921 2.671 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.223 2.523 3.676 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.550 3.774 3.582 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.309 4.407 4.645 1.00 0.00 H new ATOM 577 N ARG A 38 0.545 -0.174 1.774 1.00 0.00 N ATOM 578 CA ARG A 38 -0.314 -1.284 1.398 1.00 0.00 C ATOM 579 C ARG A 38 -0.609 -2.162 2.616 1.00 0.00 C ATOM 580 O ARG A 38 0.111 -2.111 3.611 1.00 0.00 O ATOM 581 CB ARG A 38 0.335 -2.137 0.307 1.00 0.00 C ATOM 582 CG ARG A 38 0.808 -1.268 -0.860 1.00 0.00 C ATOM 583 CD ARG A 38 0.992 -2.105 -2.128 1.00 0.00 C ATOM 584 NE ARG A 38 1.940 -1.433 -3.045 1.00 0.00 N ATOM 585 CZ ARG A 38 3.231 -1.212 -2.762 1.00 0.00 C ATOM 586 NH1 ARG A 38 3.736 -1.608 -1.585 1.00 0.00 N ATOM 587 NH2 ARG A 38 4.016 -0.595 -3.655 1.00 0.00 N ATOM 0 H ARG A 38 1.453 -0.446 2.150 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.245 -0.868 1.012 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.181 -2.685 0.723 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.379 -2.878 -0.053 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.083 -0.476 -1.045 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.749 -0.784 -0.600 1.00 0.00 H new ATOM 0 HD2 ARG A 38 1.365 -3.096 -1.869 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.031 -2.245 -2.624 1.00 0.00 H new ATOM 0 HE ARG A 38 1.588 -1.118 -3.949 1.00 0.00 H new ATOM 0 HH11 ARG A 38 3.138 -2.077 -0.905 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.719 -1.440 -1.369 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.631 -0.294 -4.550 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.999 -0.427 -3.440 1.00 0.00 H new ATOM 601 N GLY A 39 -1.669 -2.948 2.495 1.00 0.00 N ATOM 602 CA GLY A 39 -2.069 -3.836 3.574 1.00 0.00 C ATOM 603 C GLY A 39 -3.293 -4.664 3.177 1.00 0.00 C ATOM 604 O GLY A 39 -3.760 -4.583 2.042 1.00 0.00 O ATOM 0 H GLY A 39 -2.263 -2.988 1.667 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.243 -4.500 3.828 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.294 -3.252 4.466 1.00 0.00 H new ATOM 608 N CYS A 40 -3.778 -5.440 4.135 1.00 0.00 N ATOM 609 CA CYS A 40 -4.939 -6.282 3.900 1.00 0.00 C ATOM 610 C CYS A 40 -6.196 -5.444 4.141 1.00 0.00 C ATOM 611 O CYS A 40 -6.175 -4.498 4.927 1.00 0.00 O ATOM 612 CB CYS A 40 -4.913 -7.537 4.775 1.00 0.00 C ATOM 613 SG CYS A 40 -3.845 -8.886 4.151 1.00 0.00 S ATOM 0 H CYS A 40 -3.388 -5.503 5.075 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.932 -6.637 2.869 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.577 -7.259 5.774 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -5.931 -7.915 4.874 1.00 0.00 H new ATOM 618 N GLY A 41 -7.261 -5.822 3.450 1.00 0.00 N ATOM 619 CA GLY A 41 -8.525 -5.117 3.578 1.00 0.00 C ATOM 620 C GLY A 41 -8.684 -4.070 2.474 1.00 0.00 C ATOM 621 O GLY A 41 -7.940 -4.078 1.495 1.00 0.00 O ATOM 0 H GLY A 41 -7.275 -6.608 2.800 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.349 -5.829 3.530 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.578 -4.633 4.553 1.00 0.00 H new ATOM 625 N CYS A 42 -9.659 -3.194 2.669 1.00 0.00 N ATOM 626 CA CYS A 42 -9.926 -2.143 1.701 1.00 0.00 C ATOM 627 C CYS A 42 -10.380 -0.895 2.461 1.00 0.00 C ATOM 628 O CYS A 42 -11.561 -0.550 2.445 1.00 0.00 O ATOM 629 CB CYS A 42 -10.955 -2.583 0.658 1.00 0.00 C ATOM 630 SG CYS A 42 -11.470 -1.272 -0.511 1.00 0.00 S ATOM 0 H CYS A 42 -10.274 -3.190 3.483 1.00 0.00 H new ATOM 0 HA CYS A 42 -9.016 -1.917 1.144 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -10.542 -3.416 0.089 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -11.839 -2.957 1.175 1.00 0.00 H new ATOM 635 N PRO A 43 -9.419 -0.253 3.108 1.00 0.00 N ATOM 636 CA PRO A 43 -9.628 0.962 3.897 1.00 0.00 C ATOM 637 C PRO A 43 -9.954 2.151 2.991 1.00 0.00 C ATOM 638 O PRO A 43 -10.020 2.005 1.771 1.00 0.00 O ATOM 639 CB PRO A 43 -8.284 1.166 4.599 1.00 0.00 C ATOM 640 CG PRO A 43 -7.297 0.523 3.668 1.00 0.00 C ATOM 641 CD PRO A 43 -8.017 -0.676 3.118 1.00 0.00 C ATOM 0 HA PRO A 43 -10.463 0.879 4.592 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.065 2.224 4.747 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.271 0.697 5.583 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.000 1.206 2.872 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -6.388 0.232 4.194 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.667 -0.931 2.118 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.867 -1.557 3.743 1.00 0.00 H new ATOM 649 N LYS A 44 -10.148 3.300 3.620 1.00 0.00 N ATOM 650 CA LYS A 44 -10.465 4.512 2.884 1.00 0.00 C ATOM 651 C LYS A 44 -9.327 5.520 3.055 1.00 0.00 C ATOM 652 O LYS A 44 -8.761 5.646 4.140 1.00 0.00 O ATOM 653 CB LYS A 44 -11.833 5.053 3.306 1.00 0.00 C ATOM 654 CG LYS A 44 -11.750 5.758 4.661 1.00 0.00 C ATOM 655 CD LYS A 44 -13.097 5.713 5.386 1.00 0.00 C ATOM 656 CE LYS A 44 -13.254 4.409 6.170 1.00 0.00 C ATOM 657 NZ LYS A 44 -14.369 4.517 7.138 1.00 0.00 N ATOM 0 H LYS A 44 -10.092 3.418 4.632 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.546 4.299 1.818 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.201 5.749 2.552 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.550 4.234 3.361 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.986 5.283 5.276 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.445 6.794 4.518 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -13.177 6.562 6.065 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -13.907 5.806 4.662 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -13.440 3.584 5.482 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.328 4.181 6.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -14.462 3.623 7.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -14.176 5.291 7.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -15.254 4.713 6.628 1.00 0.00 H new ATOM 671 N VAL A 45 -9.024 6.212 1.967 1.00 0.00 N ATOM 672 CA VAL A 45 -7.963 7.205 1.982 1.00 0.00 C ATOM 673 C VAL A 45 -8.567 8.594 1.769 1.00 0.00 C ATOM 674 O VAL A 45 -9.707 8.718 1.324 1.00 0.00 O ATOM 675 CB VAL A 45 -6.899 6.850 0.942 1.00 0.00 C ATOM 676 CG1 VAL A 45 -6.361 5.435 1.169 1.00 0.00 C ATOM 677 CG2 VAL A 45 -7.445 7.007 -0.478 1.00 0.00 C ATOM 0 H VAL A 45 -9.495 6.105 1.069 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.462 7.213 2.950 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.070 7.547 1.061 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.606 5.208 0.416 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.915 5.370 2.161 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.178 4.718 1.091 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.668 6.748 -1.197 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.300 6.345 -0.614 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.756 8.040 -0.636 1.00 0.00 H new ATOM 687 N LYS A 46 -7.776 9.605 2.096 1.00 0.00 N ATOM 688 CA LYS A 46 -8.218 10.981 1.945 1.00 0.00 C ATOM 689 C LYS A 46 -7.944 11.447 0.514 1.00 0.00 C ATOM 690 O LYS A 46 -7.262 10.761 -0.246 1.00 0.00 O ATOM 691 CB LYS A 46 -7.579 11.870 3.014 1.00 0.00 C ATOM 692 CG LYS A 46 -7.499 11.141 4.357 1.00 0.00 C ATOM 693 CD LYS A 46 -6.944 12.059 5.447 1.00 0.00 C ATOM 694 CE LYS A 46 -7.998 13.069 5.903 1.00 0.00 C ATOM 695 NZ LYS A 46 -7.430 13.994 6.909 1.00 0.00 N ATOM 0 H LYS A 46 -6.831 9.499 2.465 1.00 0.00 H new ATOM 0 HA LYS A 46 -9.294 11.054 2.104 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.579 12.165 2.696 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.161 12.785 3.127 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.490 10.789 4.643 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.864 10.261 4.260 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -6.616 11.462 6.298 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.068 12.587 5.071 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -8.363 13.635 5.046 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -8.854 12.544 6.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -8.159 14.673 7.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.103 13.452 7.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.627 14.509 6.493 1.00 0.00 H new ATOM 709 N PRO A 47 -8.488 12.610 0.189 1.00 0.00 N ATOM 710 CA PRO A 47 -8.357 13.247 -1.122 1.00 0.00 C ATOM 711 C PRO A 47 -6.879 13.486 -1.439 1.00 0.00 C ATOM 712 O PRO A 47 -6.132 13.974 -0.593 1.00 0.00 O ATOM 713 CB PRO A 47 -9.075 14.587 -0.949 1.00 0.00 C ATOM 714 CG PRO A 47 -10.043 14.332 0.169 1.00 0.00 C ATOM 715 CD PRO A 47 -9.298 13.420 1.103 1.00 0.00 C ATOM 0 HA PRO A 47 -8.768 12.644 -1.932 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -8.377 15.386 -0.699 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -9.589 14.887 -1.863 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -10.332 15.259 0.664 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -10.959 13.866 -0.196 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -8.679 13.978 1.805 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -9.976 12.805 1.695 1.00 0.00 H new ATOM 723 N GLY A 48 -6.502 13.131 -2.658 1.00 0.00 N ATOM 724 CA GLY A 48 -5.127 13.301 -3.095 1.00 0.00 C ATOM 725 C GLY A 48 -4.373 11.969 -3.066 1.00 0.00 C ATOM 726 O GLY A 48 -3.523 11.714 -3.917 1.00 0.00 O ATOM 0 H GLY A 48 -7.125 12.726 -3.357 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -5.111 13.710 -4.105 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.624 14.022 -2.451 1.00 0.00 H new ATOM 730 N VAL A 49 -4.713 11.155 -2.078 1.00 0.00 N ATOM 731 CA VAL A 49 -4.080 9.856 -1.926 1.00 0.00 C ATOM 732 C VAL A 49 -4.744 8.856 -2.874 1.00 0.00 C ATOM 733 O VAL A 49 -5.943 8.945 -3.136 1.00 0.00 O ATOM 734 CB VAL A 49 -4.131 9.417 -0.461 1.00 0.00 C ATOM 735 CG1 VAL A 49 -3.079 8.344 -0.174 1.00 0.00 C ATOM 736 CG2 VAL A 49 -3.964 10.614 0.476 1.00 0.00 C ATOM 0 H VAL A 49 -5.419 11.370 -1.374 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.026 9.910 -2.198 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.113 8.982 -0.275 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.136 8.049 0.874 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.264 7.475 -0.806 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.086 8.742 -0.385 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.004 10.274 1.511 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.003 11.092 0.288 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.766 11.330 0.298 1.00 0.00 H new ATOM 746 N ASN A 50 -3.937 7.926 -3.362 1.00 0.00 N ATOM 747 CA ASN A 50 -4.432 6.910 -4.276 1.00 0.00 C ATOM 748 C ASN A 50 -4.683 5.614 -3.502 1.00 0.00 C ATOM 749 O ASN A 50 -3.943 5.287 -2.575 1.00 0.00 O ATOM 750 CB ASN A 50 -3.411 6.614 -5.376 1.00 0.00 C ATOM 751 CG ASN A 50 -3.415 7.715 -6.438 1.00 0.00 C ATOM 752 OD1 ASN A 50 -4.254 7.757 -7.323 1.00 0.00 O ATOM 753 ND2 ASN A 50 -2.433 8.602 -6.302 1.00 0.00 N ATOM 0 H ASN A 50 -2.944 7.854 -3.142 1.00 0.00 H new ATOM 0 HA ASN A 50 -5.351 7.282 -4.729 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -2.416 6.528 -4.940 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -3.639 5.655 -5.841 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -2.350 9.376 -6.962 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -1.764 8.509 -5.538 1.00 0.00 H new ATOM 760 N LEU A 51 -5.728 4.910 -3.912 1.00 0.00 N ATOM 761 CA LEU A 51 -6.085 3.657 -3.269 1.00 0.00 C ATOM 762 C LEU A 51 -6.643 2.692 -4.318 1.00 0.00 C ATOM 763 O LEU A 51 -7.394 3.098 -5.203 1.00 0.00 O ATOM 764 CB LEU A 51 -7.035 3.908 -2.097 1.00 0.00 C ATOM 765 CG LEU A 51 -7.650 2.664 -1.454 1.00 0.00 C ATOM 766 CD1 LEU A 51 -6.565 1.673 -1.029 1.00 0.00 C ATOM 767 CD2 LEU A 51 -8.566 3.044 -0.289 1.00 0.00 C ATOM 0 H LEU A 51 -6.339 5.184 -4.682 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.202 3.185 -2.838 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.494 4.460 -1.328 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.844 4.552 -2.442 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.268 2.165 -2.200 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.029 0.798 -0.575 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.990 1.366 -1.903 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.901 2.148 -0.306 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.990 2.141 0.150 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.991 3.579 0.467 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.371 3.683 -0.652 1.00 0.00 H new ATOM 779 N ASN A 52 -6.254 1.433 -4.183 1.00 0.00 N ATOM 780 CA ASN A 52 -6.706 0.407 -5.107 1.00 0.00 C ATOM 781 C ASN A 52 -7.033 -0.868 -4.327 1.00 0.00 C ATOM 782 O ASN A 52 -6.174 -1.415 -3.637 1.00 0.00 O ATOM 783 CB ASN A 52 -5.619 0.070 -6.130 1.00 0.00 C ATOM 784 CG ASN A 52 -5.840 -1.322 -6.726 1.00 0.00 C ATOM 785 OD1 ASN A 52 -5.216 -2.297 -6.339 1.00 0.00 O ATOM 786 ND2 ASN A 52 -6.760 -1.361 -7.685 1.00 0.00 N ATOM 0 H ASN A 52 -5.631 1.100 -3.448 1.00 0.00 H new ATOM 0 HA ASN A 52 -7.586 0.785 -5.627 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -5.620 0.815 -6.926 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -4.640 0.114 -5.653 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -6.980 -2.244 -8.145 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -7.245 -0.507 -7.961 1.00 0.00 H new ATOM 793 N CYS A 53 -8.276 -1.304 -4.463 1.00 0.00 N ATOM 794 CA CYS A 53 -8.727 -2.505 -3.779 1.00 0.00 C ATOM 795 C CYS A 53 -8.991 -3.585 -4.830 1.00 0.00 C ATOM 796 O CYS A 53 -9.427 -3.283 -5.940 1.00 0.00 O ATOM 797 CB CYS A 53 -9.961 -2.234 -2.916 1.00 0.00 C ATOM 798 SG CYS A 53 -9.748 -0.917 -1.664 1.00 0.00 S ATOM 0 H CYS A 53 -8.985 -0.848 -5.036 1.00 0.00 H new ATOM 0 HA CYS A 53 -7.953 -2.849 -3.093 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -10.791 -1.964 -3.569 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -10.241 -3.157 -2.408 1.00 0.00 H new ATOM 803 N CYS A 54 -8.717 -4.822 -4.442 1.00 0.00 N ATOM 804 CA CYS A 54 -8.919 -5.949 -5.337 1.00 0.00 C ATOM 805 C CYS A 54 -9.171 -7.197 -4.488 1.00 0.00 C ATOM 806 O CYS A 54 -8.885 -7.206 -3.292 1.00 0.00 O ATOM 807 CB CYS A 54 -7.736 -6.135 -6.289 1.00 0.00 C ATOM 808 SG CYS A 54 -6.095 -5.807 -5.548 1.00 0.00 S ATOM 0 H CYS A 54 -8.357 -5.069 -3.520 1.00 0.00 H new ATOM 0 HA CYS A 54 -9.785 -5.762 -5.972 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -7.750 -7.157 -6.668 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -7.870 -5.475 -7.146 1.00 0.00 H new ATOM 813 N ARG A 55 -9.702 -8.220 -5.141 1.00 0.00 N ATOM 814 CA ARG A 55 -9.995 -9.471 -4.461 1.00 0.00 C ATOM 815 C ARG A 55 -9.071 -10.580 -4.969 1.00 0.00 C ATOM 816 O ARG A 55 -9.524 -11.686 -5.258 1.00 0.00 O ATOM 817 CB ARG A 55 -11.450 -9.889 -4.680 1.00 0.00 C ATOM 818 CG ARG A 55 -12.412 -8.855 -4.090 1.00 0.00 C ATOM 819 CD ARG A 55 -13.716 -8.802 -4.889 1.00 0.00 C ATOM 820 NE ARG A 55 -14.434 -7.540 -4.601 1.00 0.00 N ATOM 821 CZ ARG A 55 -15.476 -7.089 -5.314 1.00 0.00 C ATOM 822 NH1 ARG A 55 -15.928 -7.795 -6.360 1.00 0.00 N ATOM 823 NH2 ARG A 55 -16.066 -5.933 -4.980 1.00 0.00 N ATOM 0 H ARG A 55 -9.937 -8.209 -6.133 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.830 -9.316 -3.395 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.643 -10.003 -5.747 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -11.627 -10.860 -4.218 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.628 -9.105 -3.051 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.941 -7.872 -4.091 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.502 -8.873 -5.955 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.345 -9.655 -4.632 1.00 0.00 H new ATOM 0 HE ARG A 55 -14.116 -6.979 -3.811 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -15.479 -8.675 -6.613 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -16.721 -7.452 -6.903 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -15.722 -5.396 -4.184 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -16.859 -5.590 -5.522 1.00 0.00 H new ATOM 837 N THR A 56 -7.792 -10.245 -5.061 1.00 0.00 N ATOM 838 CA THR A 56 -6.801 -11.199 -5.528 1.00 0.00 C ATOM 839 C THR A 56 -5.584 -11.202 -4.600 1.00 0.00 C ATOM 840 O THR A 56 -5.197 -10.159 -4.076 1.00 0.00 O ATOM 841 CB THR A 56 -6.458 -10.852 -6.978 1.00 0.00 C ATOM 842 OG1 THR A 56 -6.544 -9.430 -7.025 1.00 0.00 O ATOM 843 CG2 THR A 56 -7.531 -11.322 -7.962 1.00 0.00 C ATOM 0 H THR A 56 -7.420 -9.326 -4.820 1.00 0.00 H new ATOM 0 HA THR A 56 -7.190 -12.217 -5.505 1.00 0.00 H new ATOM 0 HB THR A 56 -5.501 -11.302 -7.242 1.00 0.00 H new ATOM 0 HG1 THR A 56 -6.334 -9.119 -7.931 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.238 -11.051 -8.976 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.639 -12.404 -7.893 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.481 -10.846 -7.719 1.00 0.00 H new ATOM 851 N ASP A 57 -5.016 -12.386 -4.426 1.00 0.00 N ATOM 852 CA ASP A 57 -3.852 -12.538 -3.570 1.00 0.00 C ATOM 853 C ASP A 57 -2.702 -11.695 -4.126 1.00 0.00 C ATOM 854 O ASP A 57 -2.504 -11.630 -5.338 1.00 0.00 O ATOM 855 CB ASP A 57 -3.389 -13.995 -3.524 1.00 0.00 C ATOM 856 CG ASP A 57 -4.431 -14.988 -3.004 1.00 0.00 C ATOM 857 OD1 ASP A 57 -4.571 -15.068 -1.765 1.00 0.00 O ATOM 858 OD2 ASP A 57 -5.064 -15.645 -3.859 1.00 0.00 O ATOM 0 H ASP A 57 -5.340 -13.249 -4.863 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.127 -12.215 -2.566 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.090 -14.297 -4.528 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.502 -14.059 -2.894 1.00 0.00 H new ATOM 863 N ARG A 58 -1.974 -11.070 -3.212 1.00 0.00 N ATOM 864 CA ARG A 58 -0.849 -10.233 -3.596 1.00 0.00 C ATOM 865 C ARG A 58 -1.204 -9.398 -4.828 1.00 0.00 C ATOM 866 O ARG A 58 -0.365 -9.188 -5.702 1.00 0.00 O ATOM 867 CB ARG A 58 0.388 -11.080 -3.901 1.00 0.00 C ATOM 868 CG ARG A 58 0.510 -12.247 -2.919 1.00 0.00 C ATOM 869 CD ARG A 58 1.942 -12.784 -2.881 1.00 0.00 C ATOM 870 NE ARG A 58 2.157 -13.563 -1.641 1.00 0.00 N ATOM 871 CZ ARG A 58 3.168 -14.424 -1.461 1.00 0.00 C ATOM 872 NH1 ARG A 58 4.062 -14.622 -2.439 1.00 0.00 N ATOM 873 NH2 ARG A 58 3.284 -15.088 -0.303 1.00 0.00 N ATOM 0 H ARG A 58 -2.141 -11.126 -2.207 1.00 0.00 H new ATOM 0 HA ARG A 58 -0.626 -9.573 -2.758 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.329 -11.462 -4.920 1.00 0.00 H new ATOM 0 HB3 ARG A 58 1.282 -10.458 -3.845 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.214 -11.921 -1.922 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.174 -13.045 -3.210 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.127 -13.413 -3.752 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.651 -11.957 -2.929 1.00 0.00 H new ATOM 0 HE ARG A 58 1.494 -13.437 -0.876 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.973 -14.117 -3.321 1.00 0.00 H new ATOM 0 HH12 ARG A 58 4.831 -15.277 -2.302 1.00 0.00 H new ATOM 0 HH21 ARG A 58 2.603 -14.938 0.441 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.053 -15.743 -0.166 1.00 0.00 H new ATOM 887 N CYS A 59 -2.449 -8.946 -4.858 1.00 0.00 N ATOM 888 CA CYS A 59 -2.926 -8.139 -5.968 1.00 0.00 C ATOM 889 C CYS A 59 -2.582 -6.676 -5.681 1.00 0.00 C ATOM 890 O CYS A 59 -2.482 -5.866 -6.601 1.00 0.00 O ATOM 891 CB CYS A 59 -4.424 -8.336 -6.209 1.00 0.00 C ATOM 892 SG CYS A 59 -5.510 -7.600 -4.934 1.00 0.00 S ATOM 0 H CYS A 59 -3.142 -9.123 -4.131 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.433 -8.454 -6.888 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -4.681 -7.907 -7.177 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.631 -9.405 -6.269 1.00 0.00 H new ATOM 897 N ASN A 60 -2.411 -6.382 -4.400 1.00 0.00 N ATOM 898 CA ASN A 60 -2.080 -5.030 -3.981 1.00 0.00 C ATOM 899 C ASN A 60 -0.564 -4.908 -3.820 1.00 0.00 C ATOM 900 O ASN A 60 -0.082 -4.415 -2.801 1.00 0.00 O ATOM 901 CB ASN A 60 -2.727 -4.699 -2.634 1.00 0.00 C ATOM 902 CG ASN A 60 -2.081 -5.501 -1.503 1.00 0.00 C ATOM 903 OD1 ASN A 60 -1.809 -6.684 -1.623 1.00 0.00 O ATOM 904 ND2 ASN A 60 -1.850 -4.793 -0.401 1.00 0.00 N ATOM 0 H ASN A 60 -2.495 -7.056 -3.639 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.451 -4.340 -4.739 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.627 -3.633 -2.431 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.794 -4.917 -2.676 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.420 -5.238 0.410 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.102 -3.805 -0.367 1.00 0.00 H new ATOM 911 N ASN A 61 0.146 -5.364 -4.841 1.00 0.00 N ATOM 912 CA ASN A 61 1.598 -5.311 -4.826 1.00 0.00 C ATOM 913 C ASN A 61 2.052 -3.850 -4.849 1.00 0.00 C ATOM 914 O ASN A 61 2.931 -3.515 -4.026 1.00 0.00 O ATOM 915 CB ASN A 61 2.188 -6.008 -6.054 1.00 0.00 C ATOM 916 CG ASN A 61 1.392 -7.267 -6.405 1.00 0.00 C ATOM 917 OD1 ASN A 61 0.288 -7.211 -6.921 1.00 0.00 O ATOM 918 ND2 ASN A 61 2.012 -8.402 -6.097 1.00 0.00 N ATOM 919 OXT ASN A 61 1.509 -3.100 -5.689 1.00 0.00 O ATOM 0 H ASN A 61 -0.257 -5.772 -5.684 1.00 0.00 H new ATOM 0 HA ASN A 61 1.944 -5.816 -3.924 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.185 -5.323 -6.902 1.00 0.00 H new ATOM 0 HB3 ASN A 61 3.228 -6.273 -5.862 1.00 0.00 H new ATOM 0 HD21 ASN A 61 1.563 -9.297 -6.292 1.00 0.00 H new ATOM 0 HD22 ASN A 61 2.936 -8.378 -5.666 1.00 0.00 H new