USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 526 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: B1054 THR OG1 : rot 180:sc= -0.617 USER MOD Set 1.2: B1057 GLN : amide:sc= -0.213 K(o=-0.83,f=-1.4) USER MOD Single : A 48 ASN : amide:sc= -0.353 X(o=-0.35,f=-0.0033) USER MOD Single : B1053 MET CE :methyl -164:sc= -3.49 (180deg=-4.85!) USER MOD Single : B1058 MET CE :methyl 178:sc= -1.62 (180deg=-1.73) USER MOD Single : B1060 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B1062 MET CE :methyl -113:sc= -3.35 (180deg=-10.7!) USER MOD Single : B1063 SER OG : rot 180:sc= 0 USER MOD Single : B1087 SER OG : rot 180:sc= 0 USER MOD Single : B1088 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B1090 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B1091 TYR OH : rot 180:sc= -0.358 USER MOD Single : B1097 THR OG1 : rot 73:sc= 0.422 USER MOD Single : B1099 ASN : amide:sc= 1.2 K(o=1.2,f=0) USER MOD Single : B1100 THR OG1 : rot -33:sc= 0.436 USER MOD Single : B1101 SER OG : rot -61:sc= -2.64! USER MOD Single : B1102 CYS SG : rot 180:sc= 0 USER MOD Single : B1110 CYS SG : rot 78:sc= -2.29! USER MOD Single : B1115 HIS : no HD1:sc= -0.124 X(o=-0.12,f=-0.0065) USER MOD Single : B1119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B1121 TYR OH : rot -147:sc= -2.36 USER MOD Single : B1122 HIS :FLIP no HD1:sc= -0.0328 F(o=-0.6,f=-0.033) USER MOD Single : B1125 LYS NZ :NH3+ 169:sc= -0.068 (180deg=-0.137) USER MOD Single : B1126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 61 N MET B1053 -0.870 -7.971 12.402 1.00 0.00 N ATOM 62 CA MET B1053 -2.256 -8.108 11.974 1.00 0.00 C ATOM 63 C MET B1053 -2.334 -8.920 10.691 1.00 0.00 C ATOM 64 O MET B1053 -1.487 -8.792 9.810 1.00 0.00 O ATOM 65 CB MET B1053 -2.895 -6.733 11.745 1.00 0.00 C ATOM 66 CG MET B1053 -2.805 -5.898 13.022 1.00 0.00 C ATOM 67 SD MET B1053 -4.129 -4.658 13.028 1.00 0.00 S ATOM 68 CE MET B1053 -4.054 -4.234 11.272 1.00 0.00 C ATOM 0 HA MET B1053 -2.802 -8.624 12.764 1.00 0.00 H new ATOM 0 HB2 MET B1053 -2.389 -6.219 10.928 1.00 0.00 H new ATOM 0 HB3 MET B1053 -3.938 -6.851 11.450 1.00 0.00 H new ATOM 0 HG2 MET B1053 -2.891 -6.542 13.897 1.00 0.00 H new ATOM 0 HG3 MET B1053 -1.833 -5.408 13.081 1.00 0.00 H new ATOM 0 HE1 MET B1053 -4.581 -3.295 11.102 1.00 0.00 H new ATOM 0 HE2 MET B1053 -3.013 -4.126 10.968 1.00 0.00 H new ATOM 0 HE3 MET B1053 -4.523 -5.025 10.686 1.00 0.00 H new ATOM 78 N THR B1054 -3.360 -9.753 10.593 1.00 0.00 N ATOM 79 CA THR B1054 -3.548 -10.583 9.414 1.00 0.00 C ATOM 80 C THR B1054 -3.980 -9.714 8.239 1.00 0.00 C ATOM 81 O THR B1054 -4.420 -8.579 8.430 1.00 0.00 O ATOM 82 CB THR B1054 -4.605 -11.651 9.703 1.00 0.00 C ATOM 83 OG1 THR B1054 -5.870 -11.028 9.870 1.00 0.00 O ATOM 84 CG2 THR B1054 -4.228 -12.399 10.984 1.00 0.00 C ATOM 0 H THR B1054 -4.072 -9.871 11.313 1.00 0.00 H new ATOM 0 HA THR B1054 -2.609 -11.075 9.160 1.00 0.00 H new ATOM 0 HB THR B1054 -4.655 -12.354 8.872 1.00 0.00 H new ATOM 0 HG1 THR B1054 -6.549 -11.710 10.054 1.00 0.00 H new ATOM 0 HG21 THR B1054 -4.978 -13.161 11.194 1.00 0.00 H new ATOM 0 HG22 THR B1054 -3.255 -12.873 10.855 1.00 0.00 H new ATOM 0 HG23 THR B1054 -4.182 -11.696 11.816 1.00 0.00 H new ATOM 92 N PRO B1055 -3.852 -10.201 7.036 1.00 0.00 N ATOM 93 CA PRO B1055 -4.232 -9.420 5.823 1.00 0.00 C ATOM 94 C PRO B1055 -5.651 -8.874 5.926 1.00 0.00 C ATOM 95 O PRO B1055 -5.907 -7.714 5.599 1.00 0.00 O ATOM 96 CB PRO B1055 -4.126 -10.453 4.700 1.00 0.00 C ATOM 97 CG PRO B1055 -3.100 -11.418 5.183 1.00 0.00 C ATOM 98 CD PRO B1055 -3.333 -11.535 6.685 1.00 0.00 C ATOM 0 HA PRO B1055 -3.600 -8.545 5.671 1.00 0.00 H new ATOM 0 HB2 PRO B1055 -5.082 -10.945 4.521 1.00 0.00 H new ATOM 0 HB3 PRO B1055 -3.825 -9.990 3.760 1.00 0.00 H new ATOM 0 HG2 PRO B1055 -3.208 -12.385 4.692 1.00 0.00 H new ATOM 0 HG3 PRO B1055 -2.093 -11.062 4.968 1.00 0.00 H new ATOM 0 HD2 PRO B1055 -4.047 -12.323 6.924 1.00 0.00 H new ATOM 0 HD3 PRO B1055 -2.412 -11.765 7.221 1.00 0.00 H new ATOM 106 N GLU B1056 -6.566 -9.713 6.399 1.00 0.00 N ATOM 107 CA GLU B1056 -7.950 -9.295 6.554 1.00 0.00 C ATOM 108 C GLU B1056 -8.062 -8.198 7.606 1.00 0.00 C ATOM 109 O GLU B1056 -8.807 -7.235 7.433 1.00 0.00 O ATOM 110 CB GLU B1056 -8.816 -10.488 6.960 1.00 0.00 C ATOM 111 CG GLU B1056 -8.930 -11.457 5.783 1.00 0.00 C ATOM 112 CD GLU B1056 -9.701 -12.702 6.206 1.00 0.00 C ATOM 113 OE1 GLU B1056 -9.947 -12.847 7.392 1.00 0.00 O ATOM 114 OE2 GLU B1056 -10.035 -13.491 5.339 1.00 0.00 O ATOM 0 H GLU B1056 -6.376 -10.675 6.678 1.00 0.00 H new ATOM 0 HA GLU B1056 -8.301 -8.904 5.599 1.00 0.00 H new ATOM 0 HB2 GLU B1056 -8.378 -10.994 7.820 1.00 0.00 H new ATOM 0 HB3 GLU B1056 -9.806 -10.147 7.261 1.00 0.00 H new ATOM 0 HG2 GLU B1056 -9.437 -10.971 4.949 1.00 0.00 H new ATOM 0 HG3 GLU B1056 -7.936 -11.736 5.433 1.00 0.00 H new ATOM 121 N GLN B1057 -7.317 -8.347 8.697 1.00 0.00 N ATOM 122 CA GLN B1057 -7.352 -7.350 9.761 1.00 0.00 C ATOM 123 C GLN B1057 -6.820 -6.014 9.275 1.00 0.00 C ATOM 124 O GLN B1057 -7.371 -4.964 9.609 1.00 0.00 O ATOM 125 CB GLN B1057 -6.534 -7.817 10.960 1.00 0.00 C ATOM 126 CG GLN B1057 -7.272 -8.951 11.665 1.00 0.00 C ATOM 127 CD GLN B1057 -6.448 -9.440 12.849 1.00 0.00 C ATOM 128 OE1 GLN B1057 -6.054 -10.605 12.895 1.00 0.00 O ATOM 129 NE2 GLN B1057 -6.150 -8.606 13.806 1.00 0.00 N ATOM 0 H GLN B1057 -6.692 -9.135 8.866 1.00 0.00 H new ATOM 0 HA GLN B1057 -8.392 -7.225 10.062 1.00 0.00 H new ATOM 0 HB2 GLN B1057 -5.551 -8.156 10.634 1.00 0.00 H new ATOM 0 HB3 GLN B1057 -6.373 -6.988 11.650 1.00 0.00 H new ATOM 0 HG2 GLN B1057 -8.248 -8.606 12.006 1.00 0.00 H new ATOM 0 HG3 GLN B1057 -7.449 -9.771 10.969 1.00 0.00 H new ATOM 0 HE21 GLN B1057 -6.479 -7.642 13.763 1.00 0.00 H new ATOM 0 HE22 GLN B1057 -5.588 -8.918 14.598 1.00 0.00 H new ATOM 138 N MET B1058 -5.750 -6.046 8.492 1.00 0.00 N ATOM 139 CA MET B1058 -5.181 -4.810 7.986 1.00 0.00 C ATOM 140 C MET B1058 -6.183 -4.108 7.086 1.00 0.00 C ATOM 141 O MET B1058 -6.328 -2.889 7.140 1.00 0.00 O ATOM 142 CB MET B1058 -3.889 -5.077 7.212 1.00 0.00 C ATOM 143 CG MET B1058 -2.793 -5.525 8.178 1.00 0.00 C ATOM 144 SD MET B1058 -1.190 -5.490 7.338 1.00 0.00 S ATOM 145 CE MET B1058 -1.428 -6.921 6.260 1.00 0.00 C ATOM 0 H MET B1058 -5.269 -6.896 8.200 1.00 0.00 H new ATOM 0 HA MET B1058 -4.946 -4.170 8.837 1.00 0.00 H new ATOM 0 HB2 MET B1058 -4.058 -5.845 6.457 1.00 0.00 H new ATOM 0 HB3 MET B1058 -3.576 -4.175 6.685 1.00 0.00 H new ATOM 0 HG2 MET B1058 -2.773 -4.870 9.049 1.00 0.00 H new ATOM 0 HG3 MET B1058 -3.003 -6.531 8.540 1.00 0.00 H new ATOM 0 HE1 MET B1058 -0.551 -7.049 5.626 1.00 0.00 H new ATOM 0 HE2 MET B1058 -1.570 -7.815 6.868 1.00 0.00 H new ATOM 0 HE3 MET B1058 -2.307 -6.764 5.636 1.00 0.00 H new ATOM 155 N ALA B1059 -6.881 -4.879 6.262 1.00 0.00 N ATOM 156 CA ALA B1059 -7.865 -4.292 5.364 1.00 0.00 C ATOM 157 C ALA B1059 -8.982 -3.623 6.155 1.00 0.00 C ATOM 158 O ALA B1059 -9.439 -2.536 5.800 1.00 0.00 O ATOM 159 CB ALA B1059 -8.461 -5.360 4.451 1.00 0.00 C ATOM 0 H ALA B1059 -6.787 -5.893 6.197 1.00 0.00 H new ATOM 0 HA ALA B1059 -7.359 -3.542 4.756 1.00 0.00 H new ATOM 0 HB1 ALA B1059 -9.194 -4.903 3.787 1.00 0.00 H new ATOM 0 HB2 ALA B1059 -7.668 -5.815 3.858 1.00 0.00 H new ATOM 0 HB3 ALA B1059 -8.947 -6.126 5.056 1.00 0.00 H new ATOM 165 N LYS B1060 -9.423 -4.279 7.223 1.00 0.00 N ATOM 166 CA LYS B1060 -10.492 -3.731 8.043 1.00 0.00 C ATOM 167 C LYS B1060 -10.066 -2.411 8.673 1.00 0.00 C ATOM 168 O LYS B1060 -10.844 -1.456 8.716 1.00 0.00 O ATOM 169 CB LYS B1060 -10.873 -4.724 9.144 1.00 0.00 C ATOM 170 CG LYS B1060 -11.575 -5.935 8.525 1.00 0.00 C ATOM 171 CD LYS B1060 -11.931 -6.934 9.628 1.00 0.00 C ATOM 172 CE LYS B1060 -12.639 -8.144 9.019 1.00 0.00 C ATOM 173 NZ LYS B1060 -12.968 -9.120 10.094 1.00 0.00 N ATOM 0 H LYS B1060 -9.061 -5.180 7.537 1.00 0.00 H new ATOM 0 HA LYS B1060 -11.355 -3.552 7.402 1.00 0.00 H new ATOM 0 HB2 LYS B1060 -9.981 -5.044 9.683 1.00 0.00 H new ATOM 0 HB3 LYS B1060 -11.529 -4.243 9.870 1.00 0.00 H new ATOM 0 HG2 LYS B1060 -12.477 -5.618 8.001 1.00 0.00 H new ATOM 0 HG3 LYS B1060 -10.927 -6.407 7.787 1.00 0.00 H new ATOM 0 HD2 LYS B1060 -11.028 -7.253 10.148 1.00 0.00 H new ATOM 0 HD3 LYS B1060 -12.574 -6.459 10.368 1.00 0.00 H new ATOM 0 HE2 LYS B1060 -13.549 -7.828 8.509 1.00 0.00 H new ATOM 0 HE3 LYS B1060 -12.001 -8.613 8.270 1.00 0.00 H new ATOM 0 HZ1 LYS B1060 -13.450 -9.943 9.680 1.00 0.00 H new ATOM 0 HZ2 LYS B1060 -12.092 -9.430 10.561 1.00 0.00 H new ATOM 0 HZ3 LYS B1060 -13.592 -8.669 10.793 1.00 0.00 H new ATOM 187 N GLU B1061 -8.830 -2.353 9.155 1.00 0.00 N ATOM 188 CA GLU B1061 -8.341 -1.129 9.772 1.00 0.00 C ATOM 189 C GLU B1061 -8.269 0.002 8.744 1.00 0.00 C ATOM 190 O GLU B1061 -8.606 1.146 9.052 1.00 0.00 O ATOM 191 CB GLU B1061 -6.965 -1.368 10.406 1.00 0.00 C ATOM 192 CG GLU B1061 -7.108 -2.280 11.634 1.00 0.00 C ATOM 193 CD GLU B1061 -8.017 -1.631 12.675 1.00 0.00 C ATOM 194 OE1 GLU B1061 -7.798 -0.472 12.982 1.00 0.00 O ATOM 195 OE2 GLU B1061 -8.917 -2.304 13.150 1.00 0.00 O ATOM 0 H GLU B1061 -8.161 -3.123 9.132 1.00 0.00 H new ATOM 0 HA GLU B1061 -9.039 -0.833 10.555 1.00 0.00 H new ATOM 0 HB2 GLU B1061 -6.294 -1.825 9.679 1.00 0.00 H new ATOM 0 HB3 GLU B1061 -6.519 -0.417 10.698 1.00 0.00 H new ATOM 0 HG2 GLU B1061 -7.519 -3.244 11.333 1.00 0.00 H new ATOM 0 HG3 GLU B1061 -6.127 -2.473 12.068 1.00 0.00 H new ATOM 202 N MET B1062 -7.836 -0.317 7.523 1.00 0.00 N ATOM 203 CA MET B1062 -7.741 0.702 6.480 1.00 0.00 C ATOM 204 C MET B1062 -9.117 1.267 6.156 1.00 0.00 C ATOM 205 O MET B1062 -9.276 2.472 5.982 1.00 0.00 O ATOM 206 CB MET B1062 -7.148 0.095 5.213 1.00 0.00 C ATOM 207 CG MET B1062 -5.695 -0.284 5.470 1.00 0.00 C ATOM 208 SD MET B1062 -5.078 -1.253 4.074 1.00 0.00 S ATOM 209 CE MET B1062 -3.883 -2.239 5.003 1.00 0.00 C ATOM 0 H MET B1062 -7.551 -1.254 7.237 1.00 0.00 H new ATOM 0 HA MET B1062 -7.099 1.504 6.845 1.00 0.00 H new ATOM 0 HB2 MET B1062 -7.718 -0.785 4.916 1.00 0.00 H new ATOM 0 HB3 MET B1062 -7.210 0.808 4.391 1.00 0.00 H new ATOM 0 HG2 MET B1062 -5.090 0.613 5.601 1.00 0.00 H new ATOM 0 HG3 MET B1062 -5.614 -0.860 6.392 1.00 0.00 H new ATOM 0 HE1 MET B1062 -2.872 -1.974 4.692 1.00 0.00 H new ATOM 0 HE2 MET B1062 -3.999 -2.042 6.069 1.00 0.00 H new ATOM 0 HE3 MET B1062 -4.056 -3.298 4.809 1.00 0.00 H new ATOM 219 N SER B1063 -10.109 0.389 6.082 1.00 0.00 N ATOM 220 CA SER B1063 -11.466 0.822 5.777 1.00 0.00 C ATOM 221 C SER B1063 -11.969 1.776 6.850 1.00 0.00 C ATOM 222 O SER B1063 -12.608 2.783 6.548 1.00 0.00 O ATOM 223 CB SER B1063 -12.401 -0.385 5.682 1.00 0.00 C ATOM 224 OG SER B1063 -13.716 0.066 5.385 1.00 0.00 O ATOM 0 H SER B1063 -10.002 -0.615 6.227 1.00 0.00 H new ATOM 0 HA SER B1063 -11.454 1.339 4.817 1.00 0.00 H new ATOM 0 HB2 SER B1063 -12.054 -1.069 4.907 1.00 0.00 H new ATOM 0 HB3 SER B1063 -12.397 -0.939 6.621 1.00 0.00 H new ATOM 0 HG SER B1063 -14.319 -0.704 5.321 1.00 0.00 H new ATOM 230 N GLU B1064 -11.687 1.445 8.104 1.00 0.00 N ATOM 231 CA GLU B1064 -12.128 2.274 9.216 1.00 0.00 C ATOM 232 C GLU B1064 -11.535 3.678 9.134 1.00 0.00 C ATOM 233 O GLU B1064 -12.236 4.666 9.353 1.00 0.00 O ATOM 234 CB GLU B1064 -11.695 1.631 10.531 1.00 0.00 C ATOM 235 CG GLU B1064 -12.507 0.360 10.783 1.00 0.00 C ATOM 236 CD GLU B1064 -11.970 -0.362 12.015 1.00 0.00 C ATOM 237 OE1 GLU B1064 -10.906 0.014 12.478 1.00 0.00 O ATOM 238 OE2 GLU B1064 -12.630 -1.278 12.476 1.00 0.00 O ATOM 0 H GLU B1064 -11.159 0.615 8.374 1.00 0.00 H new ATOM 0 HA GLU B1064 -13.214 2.353 9.167 1.00 0.00 H new ATOM 0 HB2 GLU B1064 -10.632 1.393 10.496 1.00 0.00 H new ATOM 0 HB3 GLU B1064 -11.838 2.333 11.353 1.00 0.00 H new ATOM 0 HG2 GLU B1064 -13.558 0.612 10.927 1.00 0.00 H new ATOM 0 HG3 GLU B1064 -12.452 -0.295 9.914 1.00 0.00 H new ATOM 559 N LEU B1086 3.976 6.515 -1.898 1.00 0.00 N ATOM 560 CA LEU B1086 3.818 5.897 -0.591 1.00 0.00 C ATOM 561 C LEU B1086 3.466 4.419 -0.728 1.00 0.00 C ATOM 562 O LEU B1086 3.245 3.734 0.268 1.00 0.00 O ATOM 563 CB LEU B1086 2.714 6.620 0.178 1.00 0.00 C ATOM 564 CG LEU B1086 2.987 8.125 0.140 1.00 0.00 C ATOM 565 CD1 LEU B1086 1.885 8.870 0.891 1.00 0.00 C ATOM 566 CD2 LEU B1086 4.339 8.429 0.788 1.00 0.00 C ATOM 0 HA LEU B1086 4.761 5.976 -0.050 1.00 0.00 H new ATOM 0 HB2 LEU B1086 1.742 6.402 -0.264 1.00 0.00 H new ATOM 0 HB3 LEU B1086 2.681 6.269 1.209 1.00 0.00 H new ATOM 0 HG LEU B1086 3.005 8.454 -0.899 1.00 0.00 H new ATOM 0 HD11 LEU B1086 2.084 9.941 0.861 1.00 0.00 H new ATOM 0 HD12 LEU B1086 0.923 8.667 0.421 1.00 0.00 H new ATOM 0 HD13 LEU B1086 1.860 8.535 1.928 1.00 0.00 H new ATOM 0 HD21 LEU B1086 4.525 9.503 0.756 1.00 0.00 H new ATOM 0 HD22 LEU B1086 4.329 8.093 1.825 1.00 0.00 H new ATOM 0 HD23 LEU B1086 5.128 7.908 0.245 1.00 0.00 H new ATOM 578 N SER B1087 3.429 3.926 -1.965 1.00 0.00 N ATOM 579 CA SER B1087 3.114 2.524 -2.202 1.00 0.00 C ATOM 580 C SER B1087 4.245 1.636 -1.696 1.00 0.00 C ATOM 581 O SER B1087 4.100 0.416 -1.616 1.00 0.00 O ATOM 582 CB SER B1087 2.891 2.281 -3.696 1.00 0.00 C ATOM 583 OG SER B1087 4.105 2.509 -4.394 1.00 0.00 O ATOM 0 H SER B1087 3.611 4.471 -2.807 1.00 0.00 H new ATOM 0 HA SER B1087 2.201 2.275 -1.661 1.00 0.00 H new ATOM 0 HB2 SER B1087 2.548 1.260 -3.863 1.00 0.00 H new ATOM 0 HB3 SER B1087 2.112 2.944 -4.072 1.00 0.00 H new ATOM 0 HG SER B1087 3.966 2.353 -5.351 1.00 0.00 H new ATOM 589 N LYS B1088 5.370 2.251 -1.353 1.00 0.00 N ATOM 590 CA LYS B1088 6.507 1.495 -0.846 1.00 0.00 C ATOM 591 C LYS B1088 6.558 1.539 0.683 1.00 0.00 C ATOM 592 O LYS B1088 7.339 0.817 1.303 1.00 0.00 O ATOM 593 CB LYS B1088 7.805 2.062 -1.416 1.00 0.00 C ATOM 594 CG LYS B1088 7.839 1.828 -2.928 1.00 0.00 C ATOM 595 CD LYS B1088 9.025 2.578 -3.535 1.00 0.00 C ATOM 596 CE LYS B1088 10.330 1.996 -2.991 1.00 0.00 C ATOM 597 NZ LYS B1088 11.485 2.668 -3.649 1.00 0.00 N ATOM 0 H LYS B1088 5.519 3.258 -1.415 1.00 0.00 H new ATOM 0 HA LYS B1088 6.391 0.457 -1.159 1.00 0.00 H new ATOM 0 HB2 LYS B1088 7.875 3.128 -1.200 1.00 0.00 H new ATOM 0 HB3 LYS B1088 8.663 1.584 -0.943 1.00 0.00 H new ATOM 0 HG2 LYS B1088 7.923 0.762 -3.140 1.00 0.00 H new ATOM 0 HG3 LYS B1088 6.908 2.171 -3.381 1.00 0.00 H new ATOM 0 HD2 LYS B1088 9.003 2.496 -4.622 1.00 0.00 H new ATOM 0 HD3 LYS B1088 8.960 3.639 -3.294 1.00 0.00 H new ATOM 0 HE2 LYS B1088 10.381 2.136 -1.911 1.00 0.00 H new ATOM 0 HE3 LYS B1088 10.367 0.922 -3.175 1.00 0.00 H new ATOM 0 HZ1 LYS B1088 12.373 2.273 -3.280 1.00 0.00 H new ATOM 0 HZ2 LYS B1088 11.438 2.513 -4.676 1.00 0.00 H new ATOM 0 HZ3 LYS B1088 11.452 3.688 -3.451 1.00 0.00 H new ATOM 611 N TRP B1089 5.728 2.391 1.287 1.00 0.00 N ATOM 612 CA TRP B1089 5.704 2.514 2.740 1.00 0.00 C ATOM 613 C TRP B1089 4.854 1.422 3.362 1.00 0.00 C ATOM 614 O TRP B1089 3.758 1.129 2.893 1.00 0.00 O ATOM 615 CB TRP B1089 5.143 3.878 3.153 1.00 0.00 C ATOM 616 CG TRP B1089 6.167 4.936 2.906 1.00 0.00 C ATOM 617 CD1 TRP B1089 6.987 4.981 1.836 1.00 0.00 C ATOM 618 CD2 TRP B1089 6.499 6.094 3.726 1.00 0.00 C ATOM 619 NE1 TRP B1089 7.798 6.089 1.940 1.00 0.00 N ATOM 620 CE2 TRP B1089 7.538 6.810 3.085 1.00 0.00 C ATOM 621 CE3 TRP B1089 6.006 6.593 4.949 1.00 0.00 C ATOM 622 CZ2 TRP B1089 8.071 7.977 3.635 1.00 0.00 C ATOM 623 CZ3 TRP B1089 6.544 7.767 5.504 1.00 0.00 C ATOM 624 CH2 TRP B1089 7.573 8.458 4.846 1.00 0.00 C ATOM 0 H TRP B1089 5.072 2.999 0.797 1.00 0.00 H new ATOM 0 HA TRP B1089 6.729 2.417 3.097 1.00 0.00 H new ATOM 0 HB2 TRP B1089 4.237 4.096 2.588 1.00 0.00 H new ATOM 0 HB3 TRP B1089 4.866 3.865 4.207 1.00 0.00 H new ATOM 0 HD1 TRP B1089 7.005 4.264 1.028 1.00 0.00 H new ATOM 0 HE1 TRP B1089 8.506 6.345 1.252 1.00 0.00 H new ATOM 0 HE3 TRP B1089 5.212 6.071 5.462 1.00 0.00 H new ATOM 0 HZ2 TRP B1089 8.864 8.504 3.126 1.00 0.00 H new ATOM 0 HZ3 TRP B1089 6.163 8.140 6.443 1.00 0.00 H new ATOM 0 HH2 TRP B1089 7.979 9.361 5.277 1.00 0.00 H new ATOM 635 N LYS B1090 5.358 0.833 4.432 1.00 0.00 N ATOM 636 CA LYS B1090 4.626 -0.220 5.117 1.00 0.00 C ATOM 637 C LYS B1090 3.318 0.304 5.675 1.00 0.00 C ATOM 638 O LYS B1090 3.145 1.507 5.859 1.00 0.00 O ATOM 639 CB LYS B1090 5.473 -0.781 6.249 1.00 0.00 C ATOM 640 CG LYS B1090 6.624 -1.569 5.646 1.00 0.00 C ATOM 641 CD LYS B1090 7.510 -2.101 6.761 1.00 0.00 C ATOM 642 CE LYS B1090 8.660 -2.909 6.159 1.00 0.00 C ATOM 643 NZ LYS B1090 9.532 -3.421 7.253 1.00 0.00 N ATOM 0 H LYS B1090 6.263 1.062 4.843 1.00 0.00 H new ATOM 0 HA LYS B1090 4.404 -1.008 4.397 1.00 0.00 H new ATOM 0 HB2 LYS B1090 5.854 0.027 6.874 1.00 0.00 H new ATOM 0 HB3 LYS B1090 4.870 -1.423 6.891 1.00 0.00 H new ATOM 0 HG2 LYS B1090 6.240 -2.394 5.047 1.00 0.00 H new ATOM 0 HG3 LYS B1090 7.204 -0.933 4.978 1.00 0.00 H new ATOM 0 HD2 LYS B1090 7.903 -1.274 7.353 1.00 0.00 H new ATOM 0 HD3 LYS B1090 6.926 -2.727 7.436 1.00 0.00 H new ATOM 0 HE2 LYS B1090 8.267 -3.740 5.573 1.00 0.00 H new ATOM 0 HE3 LYS B1090 9.240 -2.285 5.479 1.00 0.00 H new ATOM 0 HZ1 LYS B1090 10.315 -3.971 6.845 1.00 0.00 H new ATOM 0 HZ2 LYS B1090 9.917 -2.620 7.794 1.00 0.00 H new ATOM 0 HZ3 LYS B1090 8.974 -4.030 7.885 1.00 0.00 H new ATOM 657 N TYR B1091 2.399 -0.611 5.947 1.00 0.00 N ATOM 658 CA TYR B1091 1.111 -0.230 6.493 1.00 0.00 C ATOM 659 C TYR B1091 1.312 0.538 7.785 1.00 0.00 C ATOM 660 O TYR B1091 0.720 1.596 7.992 1.00 0.00 O ATOM 661 CB TYR B1091 0.269 -1.476 6.766 1.00 0.00 C ATOM 662 CG TYR B1091 -0.962 -1.088 7.549 1.00 0.00 C ATOM 663 CD1 TYR B1091 -2.010 -0.408 6.919 1.00 0.00 C ATOM 664 CD2 TYR B1091 -1.054 -1.412 8.908 1.00 0.00 C ATOM 665 CE1 TYR B1091 -3.150 -0.049 7.649 1.00 0.00 C ATOM 666 CE2 TYR B1091 -2.194 -1.056 9.637 1.00 0.00 C ATOM 667 CZ TYR B1091 -3.242 -0.374 9.008 1.00 0.00 C ATOM 668 OH TYR B1091 -4.366 -0.021 9.727 1.00 0.00 O ATOM 0 H TYR B1091 2.522 -1.613 5.799 1.00 0.00 H new ATOM 0 HA TYR B1091 0.592 0.401 5.771 1.00 0.00 H new ATOM 0 HB2 TYR B1091 -0.018 -1.947 5.826 1.00 0.00 H new ATOM 0 HB3 TYR B1091 0.853 -2.208 7.324 1.00 0.00 H new ATOM 0 HD1 TYR B1091 -1.940 -0.160 5.870 1.00 0.00 H new ATOM 0 HD2 TYR B1091 -0.245 -1.937 9.394 1.00 0.00 H new ATOM 0 HE1 TYR B1091 -3.958 0.478 7.164 1.00 0.00 H new ATOM 0 HE2 TYR B1091 -2.265 -1.307 10.685 1.00 0.00 H new ATOM 0 HH TYR B1091 -4.269 -0.322 10.655 1.00 0.00 H new ATOM 678 N ALA B1092 2.163 0.004 8.649 1.00 0.00 N ATOM 679 CA ALA B1092 2.441 0.660 9.918 1.00 0.00 C ATOM 680 C ALA B1092 3.056 2.037 9.682 1.00 0.00 C ATOM 681 O ALA B1092 2.742 2.997 10.386 1.00 0.00 O ATOM 682 CB ALA B1092 3.395 -0.191 10.757 1.00 0.00 C ATOM 0 H ALA B1092 2.667 -0.870 8.498 1.00 0.00 H new ATOM 0 HA ALA B1092 1.500 0.778 10.456 1.00 0.00 H new ATOM 0 HB1 ALA B1092 3.594 0.312 11.703 1.00 0.00 H new ATOM 0 HB2 ALA B1092 2.941 -1.163 10.951 1.00 0.00 H new ATOM 0 HB3 ALA B1092 4.331 -0.329 10.216 1.00 0.00 H new ATOM 688 N GLU B1093 3.938 2.122 8.690 1.00 0.00 N ATOM 689 CA GLU B1093 4.600 3.384 8.374 1.00 0.00 C ATOM 690 C GLU B1093 3.591 4.427 7.907 1.00 0.00 C ATOM 691 O GLU B1093 3.650 5.585 8.323 1.00 0.00 O ATOM 692 CB GLU B1093 5.649 3.164 7.280 1.00 0.00 C ATOM 693 CG GLU B1093 6.795 2.311 7.829 1.00 0.00 C ATOM 694 CD GLU B1093 7.600 3.111 8.848 1.00 0.00 C ATOM 695 OE1 GLU B1093 7.469 4.324 8.857 1.00 0.00 O ATOM 696 OE2 GLU B1093 8.336 2.498 9.604 1.00 0.00 O ATOM 0 H GLU B1093 4.209 1.339 8.095 1.00 0.00 H new ATOM 0 HA GLU B1093 5.085 3.749 9.280 1.00 0.00 H new ATOM 0 HB2 GLU B1093 5.195 2.670 6.421 1.00 0.00 H new ATOM 0 HB3 GLU B1093 6.031 4.123 6.931 1.00 0.00 H new ATOM 0 HG2 GLU B1093 6.397 1.409 8.295 1.00 0.00 H new ATOM 0 HG3 GLU B1093 7.443 1.989 7.013 1.00 0.00 H new ATOM 703 N LEU B1094 2.658 4.020 7.054 1.00 0.00 N ATOM 704 CA LEU B1094 1.646 4.943 6.567 1.00 0.00 C ATOM 705 C LEU B1094 0.744 5.379 7.705 1.00 0.00 C ATOM 706 O LEU B1094 0.359 6.542 7.793 1.00 0.00 O ATOM 707 CB LEU B1094 0.826 4.292 5.456 1.00 0.00 C ATOM 708 CG LEU B1094 1.694 4.191 4.204 1.00 0.00 C ATOM 709 CD1 LEU B1094 1.046 3.238 3.197 1.00 0.00 C ATOM 710 CD2 LEU B1094 1.819 5.580 3.572 1.00 0.00 C ATOM 0 H LEU B1094 2.583 3.070 6.691 1.00 0.00 H new ATOM 0 HA LEU B1094 2.142 5.824 6.160 1.00 0.00 H new ATOM 0 HB2 LEU B1094 0.490 3.302 5.764 1.00 0.00 H new ATOM 0 HB3 LEU B1094 -0.067 4.882 5.250 1.00 0.00 H new ATOM 0 HG LEU B1094 2.679 3.812 4.475 1.00 0.00 H new ATOM 0 HD11 LEU B1094 1.670 3.171 2.306 1.00 0.00 H new ATOM 0 HD12 LEU B1094 0.945 2.249 3.645 1.00 0.00 H new ATOM 0 HD13 LEU B1094 0.061 3.614 2.922 1.00 0.00 H new ATOM 0 HD21 LEU B1094 2.438 5.518 2.677 1.00 0.00 H new ATOM 0 HD22 LEU B1094 0.829 5.948 3.304 1.00 0.00 H new ATOM 0 HD23 LEU B1094 2.280 6.264 4.285 1.00 0.00 H new ATOM 722 N ARG B1095 0.416 4.441 8.578 1.00 0.00 N ATOM 723 CA ARG B1095 -0.437 4.750 9.707 1.00 0.00 C ATOM 724 C ARG B1095 0.205 5.836 10.556 1.00 0.00 C ATOM 725 O ARG B1095 -0.436 6.827 10.909 1.00 0.00 O ATOM 726 CB ARG B1095 -0.629 3.495 10.550 1.00 0.00 C ATOM 727 CG ARG B1095 -1.625 3.787 11.670 1.00 0.00 C ATOM 728 CD ARG B1095 -1.762 2.552 12.556 1.00 0.00 C ATOM 729 NE ARG B1095 -0.536 2.341 13.315 1.00 0.00 N ATOM 730 CZ ARG B1095 -0.355 1.258 14.069 1.00 0.00 C ATOM 731 NH1 ARG B1095 -1.278 0.335 14.149 1.00 0.00 N ATOM 732 NH2 ARG B1095 0.756 1.119 14.738 1.00 0.00 N ATOM 0 H ARG B1095 0.725 3.470 8.526 1.00 0.00 H new ATOM 0 HA ARG B1095 -1.403 5.102 9.345 1.00 0.00 H new ATOM 0 HB2 ARG B1095 -0.993 2.677 9.928 1.00 0.00 H new ATOM 0 HB3 ARG B1095 0.325 3.176 10.970 1.00 0.00 H new ATOM 0 HG2 ARG B1095 -1.286 4.638 12.261 1.00 0.00 H new ATOM 0 HG3 ARG B1095 -2.594 4.057 11.250 1.00 0.00 H new ATOM 0 HD2 ARG B1095 -2.604 2.675 13.237 1.00 0.00 H new ATOM 0 HD3 ARG B1095 -1.974 1.676 11.942 1.00 0.00 H new ATOM 0 HE ARG B1095 0.204 3.042 13.268 1.00 0.00 H new ATOM 0 HH11 ARG B1095 -2.150 0.439 13.630 1.00 0.00 H new ATOM 0 HH12 ARG B1095 -1.126 -0.489 14.730 1.00 0.00 H new ATOM 0 HH21 ARG B1095 1.479 1.837 14.682 1.00 0.00 H new ATOM 0 HH22 ARG B1095 0.902 0.293 15.318 1.00 0.00 H new ATOM 746 N ASP B1096 1.484 5.653 10.864 1.00 0.00 N ATOM 747 CA ASP B1096 2.208 6.634 11.658 1.00 0.00 C ATOM 748 C ASP B1096 2.314 7.949 10.895 1.00 0.00 C ATOM 749 O ASP B1096 2.190 9.025 11.479 1.00 0.00 O ATOM 750 CB ASP B1096 3.607 6.119 12.004 1.00 0.00 C ATOM 751 CG ASP B1096 4.264 7.046 13.020 1.00 0.00 C ATOM 752 OD1 ASP B1096 3.733 8.123 13.241 1.00 0.00 O ATOM 753 OD2 ASP B1096 5.285 6.664 13.570 1.00 0.00 O ATOM 0 H ASP B1096 2.035 4.843 10.579 1.00 0.00 H new ATOM 0 HA ASP B1096 1.659 6.801 12.585 1.00 0.00 H new ATOM 0 HB2 ASP B1096 3.542 5.109 12.409 1.00 0.00 H new ATOM 0 HB3 ASP B1096 4.217 6.063 11.102 1.00 0.00 H new ATOM 758 N THR B1097 2.548 7.861 9.588 1.00 0.00 N ATOM 759 CA THR B1097 2.670 9.064 8.776 1.00 0.00 C ATOM 760 C THR B1097 1.385 9.884 8.832 1.00 0.00 C ATOM 761 O THR B1097 1.422 11.104 8.969 1.00 0.00 O ATOM 762 CB THR B1097 2.974 8.691 7.326 1.00 0.00 C ATOM 763 OG1 THR B1097 4.197 7.969 7.273 1.00 0.00 O ATOM 764 CG2 THR B1097 3.097 9.967 6.495 1.00 0.00 C ATOM 0 H THR B1097 2.655 6.985 9.077 1.00 0.00 H new ATOM 0 HA THR B1097 3.488 9.663 9.175 1.00 0.00 H new ATOM 0 HB THR B1097 2.170 8.072 6.928 1.00 0.00 H new ATOM 0 HG1 THR B1097 4.061 7.068 7.634 1.00 0.00 H new ATOM 0 HG21 THR B1097 3.314 9.707 5.459 1.00 0.00 H new ATOM 0 HG22 THR B1097 2.161 10.523 6.541 1.00 0.00 H new ATOM 0 HG23 THR B1097 3.904 10.583 6.891 1.00 0.00 H new ATOM 772 N ILE B1098 0.247 9.211 8.721 1.00 0.00 N ATOM 773 CA ILE B1098 -1.037 9.901 8.755 1.00 0.00 C ATOM 774 C ILE B1098 -1.241 10.613 10.089 1.00 0.00 C ATOM 775 O ILE B1098 -1.629 11.779 10.129 1.00 0.00 O ATOM 776 CB ILE B1098 -2.166 8.892 8.541 1.00 0.00 C ATOM 777 CG1 ILE B1098 -2.090 8.368 7.111 1.00 0.00 C ATOM 778 CG2 ILE B1098 -3.519 9.572 8.763 1.00 0.00 C ATOM 779 CD1 ILE B1098 -3.021 7.166 6.951 1.00 0.00 C ATOM 0 H ILE B1098 0.186 8.199 8.608 1.00 0.00 H new ATOM 0 HA ILE B1098 -1.047 10.646 7.960 1.00 0.00 H new ATOM 0 HB ILE B1098 -2.062 8.069 9.248 1.00 0.00 H new ATOM 0 HG12 ILE B1098 -2.372 9.154 6.410 1.00 0.00 H new ATOM 0 HG13 ILE B1098 -1.066 8.081 6.873 1.00 0.00 H new ATOM 0 HG21 ILE B1098 -4.319 8.848 8.609 1.00 0.00 H new ATOM 0 HG22 ILE B1098 -3.570 9.958 9.781 1.00 0.00 H new ATOM 0 HG23 ILE B1098 -3.633 10.395 8.057 1.00 0.00 H new ATOM 0 HD11 ILE B1098 -2.963 6.795 5.928 1.00 0.00 H new ATOM 0 HD12 ILE B1098 -2.719 6.378 7.640 1.00 0.00 H new ATOM 0 HD13 ILE B1098 -4.045 7.467 7.171 1.00 0.00 H new ATOM 791 N ASN B1099 -0.977 9.903 11.176 1.00 0.00 N ATOM 792 CA ASN B1099 -1.144 10.472 12.508 1.00 0.00 C ATOM 793 C ASN B1099 -0.217 11.663 12.720 1.00 0.00 C ATOM 794 O ASN B1099 -0.602 12.655 13.339 1.00 0.00 O ATOM 795 CB ASN B1099 -0.867 9.397 13.555 1.00 0.00 C ATOM 796 CG ASN B1099 -2.098 8.511 13.704 1.00 0.00 C ATOM 797 OD1 ASN B1099 -2.892 8.701 14.625 1.00 0.00 O ATOM 798 ND2 ASN B1099 -2.331 7.580 12.818 1.00 0.00 N ATOM 0 H ASN B1099 -0.648 8.938 11.164 1.00 0.00 H new ATOM 0 HA ASN B1099 -2.170 10.827 12.608 1.00 0.00 H new ATOM 0 HB2 ASN B1099 -0.007 8.797 13.258 1.00 0.00 H new ATOM 0 HB3 ASN B1099 -0.619 9.859 14.511 1.00 0.00 H new ATOM 0 HD21 ASN B1099 -3.173 7.008 12.888 1.00 0.00 H new ATOM 0 HD22 ASN B1099 -1.671 7.425 12.056 1.00 0.00 H new ATOM 805 N THR B1100 1.002 11.563 12.207 1.00 0.00 N ATOM 806 CA THR B1100 1.966 12.648 12.354 1.00 0.00 C ATOM 807 C THR B1100 1.884 13.633 11.188 1.00 0.00 C ATOM 808 O THR B1100 2.631 14.611 11.149 1.00 0.00 O ATOM 809 CB THR B1100 3.387 12.087 12.458 1.00 0.00 C ATOM 810 OG1 THR B1100 4.267 13.115 12.892 1.00 0.00 O ATOM 811 CG2 THR B1100 3.833 11.575 11.091 1.00 0.00 C ATOM 0 H THR B1100 1.345 10.753 11.691 1.00 0.00 H new ATOM 0 HA THR B1100 1.720 13.184 13.270 1.00 0.00 H new ATOM 0 HB THR B1100 3.405 11.266 13.175 1.00 0.00 H new ATOM 0 HG1 THR B1100 3.965 13.976 12.535 1.00 0.00 H new ATOM 0 HG21 THR B1100 4.845 11.176 11.164 1.00 0.00 H new ATOM 0 HG22 THR B1100 3.156 10.789 10.758 1.00 0.00 H new ATOM 0 HG23 THR B1100 3.818 12.395 10.373 1.00 0.00 H new ATOM 819 N SER B1101 0.995 13.372 10.228 1.00 0.00 N ATOM 820 CA SER B1101 0.876 14.250 9.080 1.00 0.00 C ATOM 821 C SER B1101 0.436 15.639 9.507 1.00 0.00 C ATOM 822 O SER B1101 -0.250 15.810 10.517 1.00 0.00 O ATOM 823 CB SER B1101 -0.152 13.691 8.100 1.00 0.00 C ATOM 824 OG SER B1101 -1.448 13.807 8.674 1.00 0.00 O ATOM 0 H SER B1101 0.361 12.573 10.227 1.00 0.00 H new ATOM 0 HA SER B1101 1.854 14.313 8.602 1.00 0.00 H new ATOM 0 HB2 SER B1101 -0.108 14.235 7.157 1.00 0.00 H new ATOM 0 HB3 SER B1101 0.069 12.647 7.877 1.00 0.00 H new ATOM 0 HG SER B1101 -1.484 13.293 9.508 1.00 0.00 H new ATOM 830 N CYS B1102 0.827 16.618 8.714 1.00 0.00 N ATOM 831 CA CYS B1102 0.473 17.999 8.978 1.00 0.00 C ATOM 832 C CYS B1102 -0.116 18.639 7.720 1.00 0.00 C ATOM 833 O CYS B1102 -0.559 19.789 7.752 1.00 0.00 O ATOM 834 CB CYS B1102 1.713 18.774 9.427 1.00 0.00 C ATOM 835 SG CYS B1102 2.838 18.984 8.025 1.00 0.00 S ATOM 0 H CYS B1102 1.393 16.481 7.877 1.00 0.00 H new ATOM 0 HA CYS B1102 -0.274 18.030 9.771 1.00 0.00 H new ATOM 0 HB2 CYS B1102 1.423 19.747 9.822 1.00 0.00 H new ATOM 0 HB3 CYS B1102 2.216 18.240 10.233 1.00 0.00 H new ATOM 0 HG CYS B1102 3.890 19.645 8.408 1.00 0.00 H new ATOM 841 N ASP B1103 -0.116 17.894 6.611 1.00 0.00 N ATOM 842 CA ASP B1103 -0.649 18.416 5.357 1.00 0.00 C ATOM 843 C ASP B1103 -1.706 17.482 4.773 1.00 0.00 C ATOM 844 O ASP B1103 -1.571 16.254 4.822 1.00 0.00 O ATOM 845 CB ASP B1103 0.487 18.604 4.349 1.00 0.00 C ATOM 846 CG ASP B1103 1.373 19.767 4.778 1.00 0.00 C ATOM 847 OD1 ASP B1103 0.952 20.520 5.641 1.00 0.00 O ATOM 848 OD2 ASP B1103 2.461 19.888 4.240 1.00 0.00 O ATOM 0 H ASP B1103 0.243 16.941 6.559 1.00 0.00 H new ATOM 0 HA ASP B1103 -1.120 19.377 5.563 1.00 0.00 H new ATOM 0 HB2 ASP B1103 1.078 17.691 4.280 1.00 0.00 H new ATOM 0 HB3 ASP B1103 0.077 18.794 3.357 1.00 0.00 H new ATOM 853 N ILE B1104 -2.757 18.072 4.213 1.00 0.00 N ATOM 854 CA ILE B1104 -3.830 17.295 3.615 1.00 0.00 C ATOM 855 C ILE B1104 -3.346 16.586 2.352 1.00 0.00 C ATOM 856 O ILE B1104 -3.894 15.556 1.961 1.00 0.00 O ATOM 857 CB ILE B1104 -5.006 18.217 3.275 1.00 0.00 C ATOM 858 CG1 ILE B1104 -4.553 19.292 2.280 1.00 0.00 C ATOM 859 CG2 ILE B1104 -5.514 18.894 4.551 1.00 0.00 C ATOM 860 CD1 ILE B1104 -5.770 20.077 1.790 1.00 0.00 C ATOM 0 H ILE B1104 -2.886 19.083 4.162 1.00 0.00 H new ATOM 0 HA ILE B1104 -4.153 16.540 4.331 1.00 0.00 H new ATOM 0 HB ILE B1104 -5.806 17.624 2.831 1.00 0.00 H new ATOM 0 HG12 ILE B1104 -3.840 19.965 2.755 1.00 0.00 H new ATOM 0 HG13 ILE B1104 -4.041 18.829 1.436 1.00 0.00 H new ATOM 0 HG21 ILE B1104 -6.350 19.549 4.307 1.00 0.00 H new ATOM 0 HG22 ILE B1104 -5.843 18.134 5.260 1.00 0.00 H new ATOM 0 HG23 ILE B1104 -4.711 19.481 4.996 1.00 0.00 H new ATOM 0 HD11 ILE B1104 -5.449 20.842 1.083 1.00 0.00 H new ATOM 0 HD12 ILE B1104 -6.467 19.398 1.299 1.00 0.00 H new ATOM 0 HD13 ILE B1104 -6.263 20.552 2.639 1.00 0.00 H new ATOM 872 N GLU B1105 -2.320 17.144 1.723 1.00 0.00 N ATOM 873 CA GLU B1105 -1.774 16.554 0.505 1.00 0.00 C ATOM 874 C GLU B1105 -1.209 15.170 0.794 1.00 0.00 C ATOM 875 O GLU B1105 -1.476 14.207 0.070 1.00 0.00 O ATOM 876 CB GLU B1105 -0.661 17.448 -0.047 1.00 0.00 C ATOM 877 CG GLU B1105 -1.266 18.741 -0.600 1.00 0.00 C ATOM 878 CD GLU B1105 -0.155 19.721 -0.962 1.00 0.00 C ATOM 879 OE1 GLU B1105 0.970 19.490 -0.549 1.00 0.00 O ATOM 880 OE2 GLU B1105 -0.445 20.686 -1.650 1.00 0.00 O ATOM 0 H GLU B1105 -1.852 17.996 2.031 1.00 0.00 H new ATOM 0 HA GLU B1105 -2.575 16.466 -0.229 1.00 0.00 H new ATOM 0 HB2 GLU B1105 0.058 17.678 0.740 1.00 0.00 H new ATOM 0 HB3 GLU B1105 -0.117 16.924 -0.833 1.00 0.00 H new ATOM 0 HG2 GLU B1105 -1.871 18.522 -1.480 1.00 0.00 H new ATOM 0 HG3 GLU B1105 -1.930 19.188 0.140 1.00 0.00 H new ATOM 887 N LEU B1106 -0.441 15.071 1.870 1.00 0.00 N ATOM 888 CA LEU B1106 0.143 13.800 2.254 1.00 0.00 C ATOM 889 C LEU B1106 -0.951 12.831 2.672 1.00 0.00 C ATOM 890 O LEU B1106 -0.911 11.645 2.346 1.00 0.00 O ATOM 891 CB LEU B1106 1.111 13.993 3.418 1.00 0.00 C ATOM 892 CG LEU B1106 1.733 12.647 3.790 1.00 0.00 C ATOM 893 CD1 LEU B1106 2.591 12.144 2.628 1.00 0.00 C ATOM 894 CD2 LEU B1106 2.603 12.815 5.037 1.00 0.00 C ATOM 0 H LEU B1106 -0.211 15.851 2.486 1.00 0.00 H new ATOM 0 HA LEU B1106 0.683 13.396 1.398 1.00 0.00 H new ATOM 0 HB2 LEU B1106 1.891 14.703 3.143 1.00 0.00 H new ATOM 0 HB3 LEU B1106 0.586 14.413 4.276 1.00 0.00 H new ATOM 0 HG LEU B1106 0.943 11.924 3.995 1.00 0.00 H new ATOM 0 HD11 LEU B1106 3.035 11.184 2.892 1.00 0.00 H new ATOM 0 HD12 LEU B1106 1.968 12.024 1.741 1.00 0.00 H new ATOM 0 HD13 LEU B1106 3.382 12.865 2.421 1.00 0.00 H new ATOM 0 HD21 LEU B1106 3.047 11.856 5.303 1.00 0.00 H new ATOM 0 HD22 LEU B1106 3.394 13.537 4.834 1.00 0.00 H new ATOM 0 HD23 LEU B1106 1.989 13.172 5.864 1.00 0.00 H new ATOM 906 N LEU B1107 -1.919 13.351 3.412 1.00 0.00 N ATOM 907 CA LEU B1107 -3.020 12.530 3.891 1.00 0.00 C ATOM 908 C LEU B1107 -3.766 11.938 2.711 1.00 0.00 C ATOM 909 O LEU B1107 -4.127 10.763 2.710 1.00 0.00 O ATOM 910 CB LEU B1107 -3.975 13.394 4.711 1.00 0.00 C ATOM 911 CG LEU B1107 -3.309 13.772 6.030 1.00 0.00 C ATOM 912 CD1 LEU B1107 -4.124 14.872 6.712 1.00 0.00 C ATOM 913 CD2 LEU B1107 -3.259 12.538 6.932 1.00 0.00 C ATOM 0 H LEU B1107 -1.965 14.331 3.692 1.00 0.00 H new ATOM 0 HA LEU B1107 -2.628 11.725 4.512 1.00 0.00 H new ATOM 0 HB2 LEU B1107 -4.240 14.293 4.154 1.00 0.00 H new ATOM 0 HB3 LEU B1107 -4.902 12.852 4.901 1.00 0.00 H new ATOM 0 HG LEU B1107 -2.298 14.134 5.846 1.00 0.00 H new ATOM 0 HD11 LEU B1107 -3.650 15.144 7.655 1.00 0.00 H new ATOM 0 HD12 LEU B1107 -4.169 15.747 6.063 1.00 0.00 H new ATOM 0 HD13 LEU B1107 -5.134 14.510 6.904 1.00 0.00 H new ATOM 0 HD21 LEU B1107 -2.784 12.798 7.878 1.00 0.00 H new ATOM 0 HD22 LEU B1107 -4.272 12.183 7.120 1.00 0.00 H new ATOM 0 HD23 LEU B1107 -2.685 11.752 6.442 1.00 0.00 H new ATOM 925 N ALA B1108 -3.972 12.761 1.699 1.00 0.00 N ATOM 926 CA ALA B1108 -4.655 12.320 0.501 1.00 0.00 C ATOM 927 C ALA B1108 -3.865 11.209 -0.179 1.00 0.00 C ATOM 928 O ALA B1108 -4.441 10.263 -0.712 1.00 0.00 O ATOM 929 CB ALA B1108 -4.818 13.497 -0.462 1.00 0.00 C ATOM 0 H ALA B1108 -3.676 13.737 1.685 1.00 0.00 H new ATOM 0 HA ALA B1108 -5.637 11.937 0.777 1.00 0.00 H new ATOM 0 HB1 ALA B1108 -5.332 13.162 -1.363 1.00 0.00 H new ATOM 0 HB2 ALA B1108 -5.402 14.282 0.018 1.00 0.00 H new ATOM 0 HB3 ALA B1108 -3.836 13.887 -0.729 1.00 0.00 H new ATOM 935 N ALA B1109 -2.540 11.337 -0.166 1.00 0.00 N ATOM 936 CA ALA B1109 -1.682 10.345 -0.799 1.00 0.00 C ATOM 937 C ALA B1109 -1.825 8.990 -0.121 1.00 0.00 C ATOM 938 O ALA B1109 -1.915 7.955 -0.781 1.00 0.00 O ATOM 939 CB ALA B1109 -0.224 10.807 -0.722 1.00 0.00 C ATOM 0 H ALA B1109 -2.043 12.112 0.273 1.00 0.00 H new ATOM 0 HA ALA B1109 -1.983 10.241 -1.841 1.00 0.00 H new ATOM 0 HB1 ALA B1109 0.418 10.065 -1.196 1.00 0.00 H new ATOM 0 HB2 ALA B1109 -0.117 11.761 -1.238 1.00 0.00 H new ATOM 0 HB3 ALA B1109 0.066 10.924 0.322 1.00 0.00 H new ATOM 945 N CYS B1110 -1.841 9.007 1.203 1.00 0.00 N ATOM 946 CA CYS B1110 -1.965 7.782 1.978 1.00 0.00 C ATOM 947 C CYS B1110 -3.342 7.165 1.788 1.00 0.00 C ATOM 948 O CYS B1110 -3.481 5.949 1.661 1.00 0.00 O ATOM 949 CB CYS B1110 -1.729 8.102 3.446 1.00 0.00 C ATOM 950 SG CYS B1110 0.000 8.570 3.634 1.00 0.00 S ATOM 0 H CYS B1110 -1.770 9.856 1.764 1.00 0.00 H new ATOM 0 HA CYS B1110 -1.223 7.061 1.635 1.00 0.00 H new ATOM 0 HB2 CYS B1110 -2.382 8.912 3.770 1.00 0.00 H new ATOM 0 HB3 CYS B1110 -1.961 7.237 4.068 1.00 0.00 H new ATOM 0 HG CYS B1110 0.165 9.794 3.227 1.00 0.00 H new ATOM 956 N ARG B1111 -4.354 8.019 1.762 1.00 0.00 N ATOM 957 CA ARG B1111 -5.720 7.561 1.579 1.00 0.00 C ATOM 958 C ARG B1111 -5.862 6.865 0.233 1.00 0.00 C ATOM 959 O ARG B1111 -6.462 5.794 0.132 1.00 0.00 O ATOM 960 CB ARG B1111 -6.656 8.764 1.648 1.00 0.00 C ATOM 961 CG ARG B1111 -6.764 9.238 3.098 1.00 0.00 C ATOM 962 CD ARG B1111 -7.533 10.556 3.145 1.00 0.00 C ATOM 963 NE ARG B1111 -7.741 10.970 4.531 1.00 0.00 N ATOM 964 CZ ARG B1111 -8.243 12.166 4.836 1.00 0.00 C ATOM 965 NH1 ARG B1111 -8.568 13.018 3.896 1.00 0.00 N ATOM 966 NH2 ARG B1111 -8.415 12.492 6.088 1.00 0.00 N ATOM 0 H ARG B1111 -4.254 9.029 1.865 1.00 0.00 H new ATOM 0 HA ARG B1111 -5.977 6.850 2.364 1.00 0.00 H new ATOM 0 HB2 ARG B1111 -6.279 9.569 1.017 1.00 0.00 H new ATOM 0 HB3 ARG B1111 -7.641 8.495 1.267 1.00 0.00 H new ATOM 0 HG2 ARG B1111 -7.273 8.486 3.701 1.00 0.00 H new ATOM 0 HG3 ARG B1111 -5.769 9.369 3.524 1.00 0.00 H new ATOM 0 HD2 ARG B1111 -6.981 11.327 2.607 1.00 0.00 H new ATOM 0 HD3 ARG B1111 -8.494 10.443 2.644 1.00 0.00 H new ATOM 0 HE ARG B1111 -7.496 10.327 5.284 1.00 0.00 H new ATOM 0 HH11 ARG B1111 -8.438 12.770 2.915 1.00 0.00 H new ATOM 0 HH12 ARG B1111 -8.951 13.930 4.145 1.00 0.00 H new ATOM 0 HH21 ARG B1111 -8.166 11.833 6.825 1.00 0.00 H new ATOM 0 HH22 ARG B1111 -8.799 13.406 6.329 1.00 0.00 H new ATOM 980 N GLU B1112 -5.282 7.469 -0.792 1.00 0.00 N ATOM 981 CA GLU B1112 -5.329 6.886 -2.125 1.00 0.00 C ATOM 982 C GLU B1112 -4.556 5.576 -2.157 1.00 0.00 C ATOM 983 O GLU B1112 -4.987 4.609 -2.784 1.00 0.00 O ATOM 984 CB GLU B1112 -4.741 7.852 -3.147 1.00 0.00 C ATOM 985 CG GLU B1112 -5.697 9.028 -3.340 1.00 0.00 C ATOM 986 CD GLU B1112 -5.146 9.992 -4.386 1.00 0.00 C ATOM 987 OE1 GLU B1112 -4.571 9.519 -5.353 1.00 0.00 O ATOM 988 OE2 GLU B1112 -5.309 11.187 -4.205 1.00 0.00 O ATOM 0 H GLU B1112 -4.778 8.354 -0.729 1.00 0.00 H new ATOM 0 HA GLU B1112 -6.371 6.691 -2.377 1.00 0.00 H new ATOM 0 HB2 GLU B1112 -3.769 8.211 -2.808 1.00 0.00 H new ATOM 0 HB3 GLU B1112 -4.579 7.341 -4.096 1.00 0.00 H new ATOM 0 HG2 GLU B1112 -6.675 8.663 -3.652 1.00 0.00 H new ATOM 0 HG3 GLU B1112 -5.838 9.550 -2.393 1.00 0.00 H new ATOM 995 N GLU B1113 -3.412 5.542 -1.473 1.00 0.00 N ATOM 996 CA GLU B1113 -2.616 4.329 -1.444 1.00 0.00 C ATOM 997 C GLU B1113 -3.399 3.207 -0.787 1.00 0.00 C ATOM 998 O GLU B1113 -3.356 2.063 -1.232 1.00 0.00 O ATOM 999 CB GLU B1113 -1.309 4.568 -0.685 1.00 0.00 C ATOM 1000 CG GLU B1113 -0.510 3.265 -0.628 1.00 0.00 C ATOM 1001 CD GLU B1113 -0.195 2.782 -2.040 1.00 0.00 C ATOM 1002 OE1 GLU B1113 -0.198 3.604 -2.942 1.00 0.00 O ATOM 1003 OE2 GLU B1113 0.046 1.596 -2.198 1.00 0.00 O ATOM 0 H GLU B1113 -3.027 6.325 -0.945 1.00 0.00 H new ATOM 0 HA GLU B1113 -2.379 4.044 -2.469 1.00 0.00 H new ATOM 0 HB2 GLU B1113 -0.725 5.344 -1.179 1.00 0.00 H new ATOM 0 HB3 GLU B1113 -1.521 4.922 0.324 1.00 0.00 H new ATOM 0 HG2 GLU B1113 0.415 3.421 -0.073 1.00 0.00 H new ATOM 0 HG3 GLU B1113 -1.078 2.504 -0.093 1.00 0.00 H new ATOM 1010 N PHE B1114 -4.113 3.547 0.276 1.00 0.00 N ATOM 1011 CA PHE B1114 -4.904 2.559 0.991 1.00 0.00 C ATOM 1012 C PHE B1114 -5.994 1.994 0.085 1.00 0.00 C ATOM 1013 O PHE B1114 -6.255 0.796 0.102 1.00 0.00 O ATOM 1014 CB PHE B1114 -5.549 3.187 2.229 1.00 0.00 C ATOM 1015 CG PHE B1114 -4.579 3.168 3.396 1.00 0.00 C ATOM 1016 CD1 PHE B1114 -3.194 3.232 3.173 1.00 0.00 C ATOM 1017 CD2 PHE B1114 -5.071 3.087 4.704 1.00 0.00 C ATOM 1018 CE1 PHE B1114 -2.308 3.216 4.263 1.00 0.00 C ATOM 1019 CE2 PHE B1114 -4.185 3.071 5.788 1.00 0.00 C ATOM 1020 CZ PHE B1114 -2.806 3.136 5.568 1.00 0.00 C ATOM 0 H PHE B1114 -4.161 4.491 0.659 1.00 0.00 H new ATOM 0 HA PHE B1114 -4.241 1.752 1.302 1.00 0.00 H new ATOM 0 HB2 PHE B1114 -5.847 4.213 2.011 1.00 0.00 H new ATOM 0 HB3 PHE B1114 -6.455 2.641 2.492 1.00 0.00 H new ATOM 0 HD1 PHE B1114 -2.811 3.293 2.165 1.00 0.00 H new ATOM 0 HD2 PHE B1114 -6.136 3.037 4.877 1.00 0.00 H new ATOM 0 HE1 PHE B1114 -1.243 3.265 4.094 1.00 0.00 H new ATOM 0 HE2 PHE B1114 -4.568 3.008 6.796 1.00 0.00 H new ATOM 0 HZ PHE B1114 -2.125 3.124 6.406 1.00 0.00 H new ATOM 1030 N HIS B1115 -6.625 2.856 -0.710 1.00 0.00 N ATOM 1031 CA HIS B1115 -7.678 2.400 -1.612 1.00 0.00 C ATOM 1032 C HIS B1115 -7.119 1.425 -2.645 1.00 0.00 C ATOM 1033 O HIS B1115 -7.733 0.402 -2.937 1.00 0.00 O ATOM 1034 CB HIS B1115 -8.315 3.591 -2.332 1.00 0.00 C ATOM 1035 CG HIS B1115 -9.168 4.368 -1.367 1.00 0.00 C ATOM 1036 ND1 HIS B1115 -9.576 5.668 -1.619 1.00 0.00 N ATOM 1037 CD2 HIS B1115 -9.708 4.035 -0.148 1.00 0.00 C ATOM 1038 CE1 HIS B1115 -10.326 6.068 -0.576 1.00 0.00 C ATOM 1039 NE2 HIS B1115 -10.438 5.111 0.349 1.00 0.00 N ATOM 0 H HIS B1115 -6.430 3.856 -0.748 1.00 0.00 H new ATOM 0 HA HIS B1115 -8.435 1.891 -1.016 1.00 0.00 H new ATOM 0 HB2 HIS B1115 -7.540 4.235 -2.747 1.00 0.00 H new ATOM 0 HB3 HIS B1115 -8.921 3.242 -3.168 1.00 0.00 H new ATOM 0 HD2 HIS B1115 -9.585 3.084 0.349 1.00 0.00 H new ATOM 0 HE1 HIS B1115 -10.782 7.044 -0.496 1.00 0.00 H new ATOM 0 HE2 HIS B1115 -10.949 5.158 1.231 1.00 0.00 H new ATOM 1047 N ARG B1116 -5.949 1.745 -3.186 1.00 0.00 N ATOM 1048 CA ARG B1116 -5.322 0.879 -4.180 1.00 0.00 C ATOM 1049 C ARG B1116 -4.884 -0.431 -3.546 1.00 0.00 C ATOM 1050 O ARG B1116 -5.090 -1.506 -4.112 1.00 0.00 O ATOM 1051 CB ARG B1116 -4.120 1.589 -4.803 1.00 0.00 C ATOM 1052 CG ARG B1116 -4.562 2.326 -6.070 1.00 0.00 C ATOM 1053 CD ARG B1116 -5.796 3.179 -5.768 1.00 0.00 C ATOM 1054 NE ARG B1116 -6.030 4.124 -6.855 1.00 0.00 N ATOM 1055 CZ ARG B1116 -7.132 4.874 -6.912 1.00 0.00 C ATOM 1056 NH1 ARG B1116 -8.047 4.792 -5.980 1.00 0.00 N ATOM 1057 NH2 ARG B1116 -7.298 5.698 -7.908 1.00 0.00 N ATOM 0 H ARG B1116 -5.420 2.587 -2.958 1.00 0.00 H new ATOM 0 HA ARG B1116 -6.051 0.658 -4.960 1.00 0.00 H new ATOM 0 HB2 ARG B1116 -3.691 2.294 -4.091 1.00 0.00 H new ATOM 0 HB3 ARG B1116 -3.341 0.865 -5.044 1.00 0.00 H new ATOM 0 HG2 ARG B1116 -3.752 2.958 -6.436 1.00 0.00 H new ATOM 0 HG3 ARG B1116 -4.788 1.609 -6.859 1.00 0.00 H new ATOM 0 HD2 ARG B1116 -6.668 2.538 -5.639 1.00 0.00 H new ATOM 0 HD3 ARG B1116 -5.655 3.718 -4.831 1.00 0.00 H new ATOM 0 HE ARG B1116 -5.331 4.214 -7.592 1.00 0.00 H new ATOM 0 HH11 ARG B1116 -7.922 4.149 -5.198 1.00 0.00 H new ATOM 0 HH12 ARG B1116 -8.885 5.371 -6.036 1.00 0.00 H new ATOM 0 HH21 ARG B1116 -6.588 5.766 -8.637 1.00 0.00 H new ATOM 0 HH22 ARG B1116 -8.138 6.275 -7.958 1.00 0.00 H new ATOM 1071 N ARG B1117 -4.290 -0.337 -2.365 1.00 0.00 N ATOM 1072 CA ARG B1117 -3.840 -1.522 -1.660 1.00 0.00 C ATOM 1073 C ARG B1117 -5.021 -2.419 -1.299 1.00 0.00 C ATOM 1074 O ARG B1117 -4.950 -3.640 -1.442 1.00 0.00 O ATOM 1075 CB ARG B1117 -3.072 -1.117 -0.399 1.00 0.00 C ATOM 1076 CG ARG B1117 -1.686 -0.595 -0.790 1.00 0.00 C ATOM 1077 CD ARG B1117 -0.868 -0.357 0.480 1.00 0.00 C ATOM 1078 NE ARG B1117 0.525 -0.061 0.154 1.00 0.00 N ATOM 1079 CZ ARG B1117 1.485 -0.170 1.071 1.00 0.00 C ATOM 1080 NH1 ARG B1117 1.201 -0.503 2.305 1.00 0.00 N ATOM 1081 NH2 ARG B1117 2.723 0.041 0.732 1.00 0.00 N ATOM 0 H ARG B1117 -4.111 0.542 -1.880 1.00 0.00 H new ATOM 0 HA ARG B1117 -3.176 -2.085 -2.315 1.00 0.00 H new ATOM 0 HB2 ARG B1117 -3.622 -0.348 0.143 1.00 0.00 H new ATOM 0 HB3 ARG B1117 -2.975 -1.972 0.271 1.00 0.00 H new ATOM 0 HG2 ARG B1117 -1.181 -1.314 -1.434 1.00 0.00 H new ATOM 0 HG3 ARG B1117 -1.779 0.331 -1.357 1.00 0.00 H new ATOM 0 HD2 ARG B1117 -1.298 0.471 1.044 1.00 0.00 H new ATOM 0 HD3 ARG B1117 -0.917 -1.238 1.120 1.00 0.00 H new ATOM 0 HE ARG B1117 0.767 0.234 -0.792 1.00 0.00 H new ATOM 0 HH11 ARG B1117 0.234 -0.683 2.575 1.00 0.00 H new ATOM 0 HH12 ARG B1117 1.947 -0.583 2.996 1.00 0.00 H new ATOM 0 HH21 ARG B1117 2.953 0.288 -0.230 1.00 0.00 H new ATOM 0 HH22 ARG B1117 3.464 -0.041 1.429 1.00 0.00 H new ATOM 1095 N LEU B1118 -6.113 -1.810 -0.846 1.00 0.00 N ATOM 1096 CA LEU B1118 -7.305 -2.570 -0.490 1.00 0.00 C ATOM 1097 C LEU B1118 -7.901 -3.247 -1.720 1.00 0.00 C ATOM 1098 O LEU B1118 -8.322 -4.402 -1.661 1.00 0.00 O ATOM 1099 CB LEU B1118 -8.344 -1.643 0.149 1.00 0.00 C ATOM 1100 CG LEU B1118 -7.868 -1.232 1.544 1.00 0.00 C ATOM 1101 CD1 LEU B1118 -8.728 -0.077 2.062 1.00 0.00 C ATOM 1102 CD2 LEU B1118 -8.010 -2.427 2.488 1.00 0.00 C ATOM 0 H LEU B1118 -6.197 -0.802 -0.718 1.00 0.00 H new ATOM 0 HA LEU B1118 -7.021 -3.341 0.226 1.00 0.00 H new ATOM 0 HB2 LEU B1118 -8.490 -0.760 -0.472 1.00 0.00 H new ATOM 0 HB3 LEU B1118 -9.307 -2.149 0.216 1.00 0.00 H new ATOM 0 HG LEU B1118 -6.827 -0.914 1.497 1.00 0.00 H new ATOM 0 HD11 LEU B1118 -8.387 0.214 3.056 1.00 0.00 H new ATOM 0 HD12 LEU B1118 -8.641 0.773 1.385 1.00 0.00 H new ATOM 0 HD13 LEU B1118 -9.770 -0.394 2.114 1.00 0.00 H new ATOM 0 HD21 LEU B1118 -7.673 -2.145 3.486 1.00 0.00 H new ATOM 0 HD22 LEU B1118 -9.055 -2.734 2.531 1.00 0.00 H new ATOM 0 HD23 LEU B1118 -7.403 -3.255 2.121 1.00 0.00 H new ATOM 1114 N LYS B1119 -7.927 -2.521 -2.835 1.00 0.00 N ATOM 1115 CA LYS B1119 -8.467 -3.069 -4.074 1.00 0.00 C ATOM 1116 C LYS B1119 -7.644 -4.263 -4.532 1.00 0.00 C ATOM 1117 O LYS B1119 -8.192 -5.284 -4.951 1.00 0.00 O ATOM 1118 CB LYS B1119 -8.440 -1.999 -5.163 1.00 0.00 C ATOM 1119 CG LYS B1119 -9.520 -0.944 -4.895 1.00 0.00 C ATOM 1120 CD LYS B1119 -10.897 -1.475 -5.308 1.00 0.00 C ATOM 1121 CE LYS B1119 -10.988 -1.546 -6.834 1.00 0.00 C ATOM 1122 NZ LYS B1119 -12.399 -1.815 -7.234 1.00 0.00 N ATOM 0 H LYS B1119 -7.584 -1.563 -2.905 1.00 0.00 H new ATOM 0 HA LYS B1119 -9.492 -3.391 -3.892 1.00 0.00 H new ATOM 0 HB2 LYS B1119 -7.459 -1.526 -5.194 1.00 0.00 H new ATOM 0 HB3 LYS B1119 -8.603 -2.458 -6.138 1.00 0.00 H new ATOM 0 HG2 LYS B1119 -9.526 -0.681 -3.837 1.00 0.00 H new ATOM 0 HG3 LYS B1119 -9.293 -0.033 -5.449 1.00 0.00 H new ATOM 0 HD2 LYS B1119 -11.060 -2.463 -4.878 1.00 0.00 H new ATOM 0 HD3 LYS B1119 -11.680 -0.825 -4.918 1.00 0.00 H new ATOM 0 HE2 LYS B1119 -10.646 -0.609 -7.274 1.00 0.00 H new ATOM 0 HE3 LYS B1119 -10.335 -2.333 -7.212 1.00 0.00 H new ATOM 0 HZ1 LYS B1119 -12.463 -1.864 -8.271 1.00 0.00 H new ATOM 0 HZ2 LYS B1119 -12.709 -2.720 -6.825 1.00 0.00 H new ATOM 0 HZ3 LYS B1119 -13.011 -1.050 -6.885 1.00 0.00 H new ATOM 1136 N VAL B1120 -6.327 -4.132 -4.444 1.00 0.00 N ATOM 1137 CA VAL B1120 -5.441 -5.214 -4.849 1.00 0.00 C ATOM 1138 C VAL B1120 -5.657 -6.424 -3.953 1.00 0.00 C ATOM 1139 O VAL B1120 -5.697 -7.559 -4.423 1.00 0.00 O ATOM 1140 CB VAL B1120 -3.983 -4.762 -4.767 1.00 0.00 C ATOM 1141 CG1 VAL B1120 -3.060 -5.959 -5.003 1.00 0.00 C ATOM 1142 CG2 VAL B1120 -3.723 -3.699 -5.836 1.00 0.00 C ATOM 0 H VAL B1120 -5.853 -3.297 -4.100 1.00 0.00 H new ATOM 0 HA VAL B1120 -5.668 -5.486 -5.880 1.00 0.00 H new ATOM 0 HB VAL B1120 -3.786 -4.345 -3.779 1.00 0.00 H new ATOM 0 HG11 VAL B1120 -2.021 -5.635 -4.944 1.00 0.00 H new ATOM 0 HG12 VAL B1120 -3.247 -6.718 -4.243 1.00 0.00 H new ATOM 0 HG13 VAL B1120 -3.254 -6.379 -5.990 1.00 0.00 H new ATOM 0 HG21 VAL B1120 -2.684 -3.374 -5.781 1.00 0.00 H new ATOM 0 HG22 VAL B1120 -3.920 -4.119 -6.822 1.00 0.00 H new ATOM 0 HG23 VAL B1120 -4.380 -2.845 -5.668 1.00 0.00 H new ATOM 1152 N TYR B1121 -5.789 -6.167 -2.659 1.00 0.00 N ATOM 1153 CA TYR B1121 -5.996 -7.237 -1.689 1.00 0.00 C ATOM 1154 C TYR B1121 -7.263 -8.014 -2.018 1.00 0.00 C ATOM 1155 O TYR B1121 -7.259 -9.245 -2.050 1.00 0.00 O ATOM 1156 CB TYR B1121 -6.101 -6.649 -0.282 1.00 0.00 C ATOM 1157 CG TYR B1121 -6.417 -7.745 0.706 1.00 0.00 C ATOM 1158 CD1 TYR B1121 -5.426 -8.661 1.075 1.00 0.00 C ATOM 1159 CD2 TYR B1121 -7.699 -7.839 1.262 1.00 0.00 C ATOM 1160 CE1 TYR B1121 -5.717 -9.673 1.999 1.00 0.00 C ATOM 1161 CE2 TYR B1121 -7.989 -8.850 2.185 1.00 0.00 C ATOM 1162 CZ TYR B1121 -6.999 -9.767 2.553 1.00 0.00 C ATOM 1163 OH TYR B1121 -7.285 -10.761 3.467 1.00 0.00 O ATOM 0 H TYR B1121 -5.757 -5.231 -2.256 1.00 0.00 H new ATOM 0 HA TYR B1121 -5.146 -7.918 -1.733 1.00 0.00 H new ATOM 0 HB2 TYR B1121 -5.165 -6.161 -0.011 1.00 0.00 H new ATOM 0 HB3 TYR B1121 -6.879 -5.886 -0.254 1.00 0.00 H new ATOM 0 HD1 TYR B1121 -4.437 -8.588 0.648 1.00 0.00 H new ATOM 0 HD2 TYR B1121 -8.464 -7.131 0.978 1.00 0.00 H new ATOM 0 HE1 TYR B1121 -4.952 -10.381 2.284 1.00 0.00 H new ATOM 0 HE2 TYR B1121 -8.978 -8.922 2.613 1.00 0.00 H new ATOM 0 HH TYR B1121 -8.220 -11.038 3.367 1.00 0.00 H new ATOM 1173 N HIS B1122 -8.345 -7.287 -2.263 1.00 0.00 N ATOM 1174 CA HIS B1122 -9.615 -7.919 -2.593 1.00 0.00 C ATOM 1175 C HIS B1122 -9.479 -8.745 -3.867 1.00 0.00 C ATOM 1176 O HIS B1122 -9.929 -9.888 -3.931 1.00 0.00 O ATOM 1177 CB HIS B1122 -10.702 -6.860 -2.781 1.00 0.00 C ATOM 1178 CG HIS B1122 -12.014 -7.537 -3.068 1.00 0.00 C ATOM 1179 ND1 HIS B1122 -12.450 -8.822 -2.853 1.00 0.00 N flip ATOM 1180 CD2 HIS B1122 -13.077 -6.872 -3.656 1.00 0.00 C flip ATOM 1181 CE1 HIS B1122 -13.761 -8.953 -3.299 1.00 0.00 C flip ATOM 1182 NE2 HIS B1122 -14.091 -7.750 -3.773 1.00 0.00 N flip ATOM 0 H HIS B1122 -8.369 -6.268 -2.240 1.00 0.00 H new ATOM 0 HA HIS B1122 -9.896 -8.576 -1.770 1.00 0.00 H new ATOM 0 HB2 HIS B1122 -10.786 -6.246 -1.885 1.00 0.00 H new ATOM 0 HB3 HIS B1122 -10.437 -6.193 -3.601 1.00 0.00 H new ATOM 0 HD2 HIS B1122 -13.090 -5.837 -3.965 1.00 0.00 H new ATOM 0 HE1 HIS B1122 -14.379 -9.838 -3.268 1.00 0.00 H new ATOM 0 HE2 HIS B1122 -15.001 -7.523 -4.175 1.00 0.00 H new ATOM 1190 N ALA B1123 -8.855 -8.155 -4.883 1.00 0.00 N ATOM 1191 CA ALA B1123 -8.670 -8.848 -6.152 1.00 0.00 C ATOM 1192 C ALA B1123 -7.835 -10.112 -5.965 1.00 0.00 C ATOM 1193 O ALA B1123 -8.128 -11.150 -6.552 1.00 0.00 O ATOM 1194 CB ALA B1123 -7.976 -7.923 -7.153 1.00 0.00 C ATOM 0 H ALA B1123 -8.473 -7.210 -4.853 1.00 0.00 H new ATOM 0 HA ALA B1123 -9.651 -9.131 -6.532 1.00 0.00 H new ATOM 0 HB1 ALA B1123 -7.841 -8.447 -8.099 1.00 0.00 H new ATOM 0 HB2 ALA B1123 -8.589 -7.036 -7.314 1.00 0.00 H new ATOM 0 HB3 ALA B1123 -7.003 -7.626 -6.760 1.00 0.00 H new ATOM 1200 N TRP B1124 -6.795 -10.021 -5.146 1.00 0.00 N ATOM 1201 CA TRP B1124 -5.934 -11.158 -4.898 1.00 0.00 C ATOM 1202 C TRP B1124 -6.736 -12.313 -4.300 1.00 0.00 C ATOM 1203 O TRP B1124 -6.621 -13.456 -4.745 1.00 0.00 O ATOM 1204 CB TRP B1124 -4.816 -10.725 -3.958 1.00 0.00 C ATOM 1205 CG TRP B1124 -3.963 -11.890 -3.640 1.00 0.00 C ATOM 1206 CD1 TRP B1124 -3.039 -12.408 -4.466 1.00 0.00 C ATOM 1207 CD2 TRP B1124 -3.915 -12.661 -2.419 1.00 0.00 C ATOM 1208 NE1 TRP B1124 -2.435 -13.486 -3.838 1.00 0.00 N ATOM 1209 CE2 TRP B1124 -2.944 -13.677 -2.565 1.00 0.00 C ATOM 1210 CE3 TRP B1124 -4.624 -12.580 -1.216 1.00 0.00 C ATOM 1211 CZ2 TRP B1124 -2.685 -14.587 -1.539 1.00 0.00 C ATOM 1212 CZ3 TRP B1124 -4.366 -13.487 -0.181 1.00 0.00 C ATOM 1213 CH2 TRP B1124 -3.399 -14.490 -0.340 1.00 0.00 C ATOM 0 H TRP B1124 -6.532 -9.172 -4.646 1.00 0.00 H new ATOM 0 HA TRP B1124 -5.502 -11.509 -5.835 1.00 0.00 H new ATOM 0 HB2 TRP B1124 -4.220 -9.940 -4.422 1.00 0.00 H new ATOM 0 HB3 TRP B1124 -5.236 -10.308 -3.043 1.00 0.00 H new ATOM 0 HD1 TRP B1124 -2.805 -12.045 -5.456 1.00 0.00 H new ATOM 0 HE1 TRP B1124 -1.708 -14.064 -4.260 1.00 0.00 H new ATOM 0 HE3 TRP B1124 -5.374 -11.814 -1.085 1.00 0.00 H new ATOM 0 HZ2 TRP B1124 -1.941 -15.359 -1.669 1.00 0.00 H new ATOM 0 HZ3 TRP B1124 -4.915 -13.414 0.746 1.00 0.00 H new ATOM 0 HH2 TRP B1124 -3.206 -15.187 0.462 1.00 0.00 H new ATOM 1224 N LYS B1125 -7.568 -12.001 -3.313 1.00 0.00 N ATOM 1225 CA LYS B1125 -8.415 -13.014 -2.682 1.00 0.00 C ATOM 1226 C LYS B1125 -9.365 -13.604 -3.697 1.00 0.00 C ATOM 1227 O LYS B1125 -9.657 -14.790 -3.666 1.00 0.00 O ATOM 1228 CB LYS B1125 -9.228 -12.403 -1.540 1.00 0.00 C ATOM 1229 CG LYS B1125 -8.327 -12.063 -0.353 1.00 0.00 C ATOM 1230 CD LYS B1125 -7.816 -13.359 0.269 1.00 0.00 C ATOM 1231 CE LYS B1125 -7.167 -13.062 1.620 1.00 0.00 C ATOM 1232 NZ LYS B1125 -6.649 -14.329 2.208 1.00 0.00 N ATOM 0 H LYS B1125 -7.676 -11.061 -2.932 1.00 0.00 H new ATOM 0 HA LYS B1125 -7.767 -13.795 -2.285 1.00 0.00 H new ATOM 0 HB2 LYS B1125 -9.733 -11.502 -1.889 1.00 0.00 H new ATOM 0 HB3 LYS B1125 -10.003 -13.102 -1.225 1.00 0.00 H new ATOM 0 HG2 LYS B1125 -7.490 -11.447 -0.680 1.00 0.00 H new ATOM 0 HG3 LYS B1125 -8.880 -11.483 0.386 1.00 0.00 H new ATOM 0 HD2 LYS B1125 -8.640 -14.061 0.397 1.00 0.00 H new ATOM 0 HD3 LYS B1125 -7.094 -13.833 -0.396 1.00 0.00 H new ATOM 0 HE2 LYS B1125 -6.354 -12.346 1.496 1.00 0.00 H new ATOM 0 HE3 LYS B1125 -7.893 -12.606 2.293 1.00 0.00 H new ATOM 0 HZ1 LYS B1125 -6.048 -14.111 3.028 1.00 0.00 H new ATOM 0 HZ2 LYS B1125 -7.447 -14.923 2.511 1.00 0.00 H new ATOM 0 HZ3 LYS B1125 -6.089 -14.839 1.495 1.00 0.00 H new ATOM 1246 N SER B1126 -9.849 -12.768 -4.586 1.00 0.00 N ATOM 1247 CA SER B1126 -10.777 -13.222 -5.607 1.00 0.00 C ATOM 1248 C SER B1126 -10.120 -14.297 -6.462 1.00 0.00 C ATOM 1249 O SER B1126 -10.738 -15.304 -6.789 1.00 0.00 O ATOM 1250 CB SER B1126 -11.208 -12.051 -6.488 1.00 0.00 C ATOM 1251 OG SER B1126 -12.106 -12.521 -7.483 1.00 0.00 O ATOM 0 H SER B1126 -9.620 -11.775 -4.627 1.00 0.00 H new ATOM 0 HA SER B1126 -11.658 -13.639 -5.120 1.00 0.00 H new ATOM 0 HB2 SER B1126 -11.687 -11.282 -5.882 1.00 0.00 H new ATOM 0 HB3 SER B1126 -10.337 -11.592 -6.955 1.00 0.00 H new ATOM 0 HG SER B1126 -12.387 -11.773 -8.050 1.00 0.00 H new ATOM 1382 N GLU A 47 1.039 -17.825 -0.071 1.00 0.00 N ATOM 1383 CA GLU A 47 -0.144 -17.028 -0.361 1.00 0.00 C ATOM 1384 C GLU A 47 -0.332 -15.941 0.692 1.00 0.00 C ATOM 1385 O GLU A 47 -0.644 -14.794 0.373 1.00 0.00 O ATOM 1386 CB GLU A 47 -1.375 -17.931 -0.371 1.00 0.00 C ATOM 1387 CG GLU A 47 -1.329 -18.841 -1.598 1.00 0.00 C ATOM 1388 CD GLU A 47 -2.434 -19.888 -1.510 1.00 0.00 C ATOM 1389 OE1 GLU A 47 -2.974 -20.062 -0.430 1.00 0.00 O ATOM 1390 OE2 GLU A 47 -2.724 -20.501 -2.524 1.00 0.00 O ATOM 0 HA GLU A 47 -0.015 -16.558 -1.336 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.407 -18.531 0.539 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.282 -17.327 -0.387 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.449 -18.249 -2.505 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.357 -19.330 -1.662 1.00 0.00 H new ATOM 1397 N ASN A 48 -0.133 -16.305 1.951 1.00 0.00 N ATOM 1398 CA ASN A 48 -0.284 -15.346 3.030 1.00 0.00 C ATOM 1399 C ASN A 48 0.720 -14.219 2.870 1.00 0.00 C ATOM 1400 O ASN A 48 0.407 -13.052 3.104 1.00 0.00 O ATOM 1401 CB ASN A 48 -0.079 -16.036 4.380 1.00 0.00 C ATOM 1402 CG ASN A 48 -1.246 -16.977 4.654 1.00 0.00 C ATOM 1403 OD1 ASN A 48 -1.038 -18.143 4.989 1.00 0.00 O ATOM 1404 ND2 ASN A 48 -2.467 -16.542 4.510 1.00 0.00 N ATOM 0 H ASN A 48 0.130 -17.245 2.246 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.292 -14.932 2.992 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.858 -16.593 4.377 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.005 -15.292 5.173 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.255 -17.169 4.675 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.634 -15.575 4.232 1.00 0.00 H new ATOM 1411 N ASP A 49 1.929 -14.575 2.463 1.00 0.00 N ATOM 1412 CA ASP A 49 2.974 -13.581 2.266 1.00 0.00 C ATOM 1413 C ASP A 49 2.571 -12.592 1.181 1.00 0.00 C ATOM 1414 O ASP A 49 2.809 -11.391 1.305 1.00 0.00 O ATOM 1415 CB ASP A 49 4.284 -14.267 1.875 1.00 0.00 C ATOM 1416 CG ASP A 49 4.865 -15.007 3.075 1.00 0.00 C ATOM 1417 OD1 ASP A 49 4.396 -14.769 4.177 1.00 0.00 O ATOM 1418 OD2 ASP A 49 5.768 -15.801 2.876 1.00 0.00 O ATOM 0 H ASP A 49 2.210 -15.535 2.264 1.00 0.00 H new ATOM 0 HA ASP A 49 3.116 -13.040 3.202 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.108 -14.966 1.057 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.998 -13.527 1.514 1.00 0.00 H new ATOM 1423 N GLU A 50 1.959 -13.099 0.115 1.00 0.00 N ATOM 1424 CA GLU A 50 1.532 -12.237 -0.979 1.00 0.00 C ATOM 1425 C GLU A 50 0.502 -11.228 -0.490 1.00 0.00 C ATOM 1426 O GLU A 50 0.562 -10.046 -0.828 1.00 0.00 O ATOM 1427 CB GLU A 50 0.919 -13.077 -2.101 1.00 0.00 C ATOM 1428 CG GLU A 50 2.012 -13.901 -2.782 1.00 0.00 C ATOM 1429 CD GLU A 50 1.391 -14.815 -3.832 1.00 0.00 C ATOM 1430 OE1 GLU A 50 0.173 -14.887 -3.882 1.00 0.00 O ATOM 1431 OE2 GLU A 50 2.140 -15.433 -4.571 1.00 0.00 O ATOM 0 H GLU A 50 1.750 -14.089 -0.013 1.00 0.00 H new ATOM 0 HA GLU A 50 2.405 -11.705 -1.356 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.151 -13.737 -1.697 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.431 -12.429 -2.829 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.742 -13.239 -3.249 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.548 -14.494 -2.041 1.00 0.00 H new ATOM 1438 N ALA A 51 -0.443 -11.698 0.317 1.00 0.00 N ATOM 1439 CA ALA A 51 -1.474 -10.818 0.848 1.00 0.00 C ATOM 1440 C ALA A 51 -0.861 -9.745 1.744 1.00 0.00 C ATOM 1441 O ALA A 51 -1.265 -8.584 1.696 1.00 0.00 O ATOM 1442 CB ALA A 51 -2.503 -11.627 1.633 1.00 0.00 C ATOM 0 H ALA A 51 -0.516 -12.671 0.614 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.969 -10.327 0.010 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.269 -10.958 2.025 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.966 -12.363 0.975 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.010 -12.138 2.460 1.00 0.00 H new ATOM 1448 N PHE A 52 0.123 -10.135 2.555 1.00 0.00 N ATOM 1449 CA PHE A 52 0.780 -9.179 3.444 1.00 0.00 C ATOM 1450 C PHE A 52 1.469 -8.086 2.637 1.00 0.00 C ATOM 1451 O PHE A 52 1.387 -6.907 2.980 1.00 0.00 O ATOM 1452 CB PHE A 52 1.818 -9.883 4.325 1.00 0.00 C ATOM 1453 CG PHE A 52 1.193 -10.310 5.634 1.00 0.00 C ATOM 1454 CD1 PHE A 52 0.815 -11.643 5.835 1.00 0.00 C ATOM 1455 CD2 PHE A 52 1.005 -9.369 6.654 1.00 0.00 C ATOM 1456 CE1 PHE A 52 0.251 -12.035 7.057 1.00 0.00 C ATOM 1457 CE2 PHE A 52 0.439 -9.759 7.875 1.00 0.00 C ATOM 1458 CZ PHE A 52 0.063 -11.093 8.076 1.00 0.00 C ATOM 0 H PHE A 52 0.477 -11.090 2.614 1.00 0.00 H new ATOM 0 HA PHE A 52 0.014 -8.733 4.078 1.00 0.00 H new ATOM 0 HB2 PHE A 52 2.217 -10.753 3.804 1.00 0.00 H new ATOM 0 HB3 PHE A 52 2.657 -9.214 4.516 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.958 -12.369 5.049 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.297 -8.341 6.499 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.039 -13.064 7.213 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.293 -9.032 8.660 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.372 -11.395 9.017 1.00 0.00 H new ATOM 1468 N ALA A 53 2.145 -8.479 1.563 1.00 0.00 N ATOM 1469 CA ALA A 53 2.842 -7.516 0.719 1.00 0.00 C ATOM 1470 C ALA A 53 1.853 -6.528 0.112 1.00 0.00 C ATOM 1471 O ALA A 53 2.122 -5.334 0.025 1.00 0.00 O ATOM 1472 CB ALA A 53 3.595 -8.241 -0.396 1.00 0.00 C ATOM 0 H ALA A 53 2.225 -9.449 1.258 1.00 0.00 H new ATOM 0 HA ALA A 53 3.555 -6.969 1.336 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.112 -7.512 -1.020 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.323 -8.925 0.041 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.888 -8.804 -1.006 1.00 0.00 H new ATOM 1478 N ILE A 54 0.703 -7.036 -0.302 1.00 0.00 N ATOM 1479 CA ILE A 54 -0.317 -6.190 -0.890 1.00 0.00 C ATOM 1480 C ILE A 54 -0.763 -5.121 0.098 1.00 0.00 C ATOM 1481 O ILE A 54 -0.954 -3.962 -0.268 1.00 0.00 O ATOM 1482 CB ILE A 54 -1.515 -7.042 -1.307 1.00 0.00 C ATOM 1483 CG1 ILE A 54 -1.128 -7.918 -2.502 1.00 0.00 C ATOM 1484 CG2 ILE A 54 -2.680 -6.135 -1.691 1.00 0.00 C ATOM 1485 CD1 ILE A 54 -2.232 -8.941 -2.762 1.00 0.00 C ATOM 0 H ILE A 54 0.456 -8.024 -0.241 1.00 0.00 H new ATOM 0 HA ILE A 54 0.102 -5.697 -1.767 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.815 -7.678 -0.474 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.976 -7.299 -3.386 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.185 -8.427 -2.303 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.533 -6.745 -1.988 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.956 -5.516 -0.837 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.384 -5.495 -2.522 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.957 -9.565 -3.613 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.363 -9.568 -1.880 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.165 -8.422 -2.980 1.00 0.00 H new ATOM 1497 N LEU A 55 -0.948 -5.523 1.345 1.00 0.00 N ATOM 1498 CA LEU A 55 -1.398 -4.598 2.376 1.00 0.00 C ATOM 1499 C LEU A 55 -0.237 -4.068 3.215 1.00 0.00 C ATOM 1500 O LEU A 55 -0.449 -3.567 4.316 1.00 0.00 O ATOM 1501 CB LEU A 55 -2.416 -5.296 3.280 1.00 0.00 C ATOM 1502 CG LEU A 55 -3.621 -5.742 2.445 1.00 0.00 C ATOM 1503 CD1 LEU A 55 -4.584 -6.545 3.319 1.00 0.00 C ATOM 1504 CD2 LEU A 55 -4.349 -4.512 1.896 1.00 0.00 C ATOM 0 H LEU A 55 -0.795 -6.478 1.668 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.861 -3.745 1.880 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.957 -6.158 3.765 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.739 -4.620 4.072 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.273 -6.362 1.619 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.440 -6.861 2.722 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.072 -7.423 3.712 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.928 -5.924 4.147 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.206 -4.831 1.302 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.692 -3.892 2.725 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.668 -3.936 1.270 1.00 0.00 H new ATOM 1516 N ASP A 56 0.985 -4.169 2.698 1.00 0.00 N ATOM 1517 CA ASP A 56 2.145 -3.671 3.435 1.00 0.00 C ATOM 1518 C ASP A 56 3.178 -3.078 2.481 1.00 0.00 C ATOM 1519 O ASP A 56 3.484 -1.888 2.537 1.00 0.00 O ATOM 1520 CB ASP A 56 2.785 -4.809 4.234 1.00 0.00 C ATOM 1521 CG ASP A 56 3.783 -4.249 5.243 1.00 0.00 C ATOM 1522 OD1 ASP A 56 3.755 -3.052 5.473 1.00 0.00 O ATOM 1523 OD2 ASP A 56 4.560 -5.027 5.772 1.00 0.00 O ATOM 0 H ASP A 56 1.197 -4.582 1.790 1.00 0.00 H new ATOM 0 HA ASP A 56 1.807 -2.890 4.117 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.013 -5.378 4.752 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.289 -5.499 3.558 1.00 0.00 H new ATOM 1528 N GLY A 57 3.702 -3.915 1.601 1.00 0.00 N ATOM 1529 CA GLY A 57 4.697 -3.464 0.635 1.00 0.00 C ATOM 1530 C GLY A 57 4.046 -2.792 -0.574 1.00 0.00 C ATOM 1531 O GLY A 57 4.739 -2.245 -1.432 1.00 0.00 O ATOM 0 H GLY A 57 3.459 -4.903 1.533 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.381 -2.764 1.116 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.293 -4.314 0.302 1.00 0.00 H new ATOM 1535 N GLY A 58 2.716 -2.840 -0.650 1.00 0.00 N ATOM 1536 CA GLY A 58 2.007 -2.240 -1.775 1.00 0.00 C ATOM 1537 C GLY A 58 2.196 -3.074 -3.041 1.00 0.00 C ATOM 1538 O GLY A 58 2.009 -2.581 -4.153 1.00 0.00 O ATOM 0 H GLY A 58 2.116 -3.283 0.046 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.945 -2.161 -1.541 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.373 -1.227 -1.943 1.00 0.00 H new ATOM 1542 N ALA A 59 2.575 -4.338 -2.861 1.00 0.00 N ATOM 1543 CA ALA A 59 2.798 -5.233 -3.991 1.00 0.00 C ATOM 1544 C ALA A 59 1.475 -5.668 -4.616 1.00 0.00 C ATOM 1545 O ALA A 59 0.429 -5.598 -3.979 1.00 0.00 O ATOM 1546 CB ALA A 59 3.560 -6.469 -3.524 1.00 0.00 C ATOM 0 H ALA A 59 2.733 -4.763 -1.947 1.00 0.00 H new ATOM 0 HA ALA A 59 3.379 -4.695 -4.741 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.725 -7.136 -4.370 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.521 -6.168 -3.106 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.979 -6.988 -2.761 1.00 0.00 H new ATOM 1552 N PRO A 60 1.500 -6.115 -5.843 1.00 0.00 N ATOM 1553 CA PRO A 60 0.270 -6.574 -6.549 1.00 0.00 C ATOM 1554 C PRO A 60 -0.238 -7.914 -6.017 1.00 0.00 C ATOM 1555 O PRO A 60 -1.405 -8.260 -6.195 1.00 0.00 O ATOM 1556 CB PRO A 60 0.713 -6.688 -8.007 1.00 0.00 C ATOM 1557 CG PRO A 60 2.177 -6.963 -7.942 1.00 0.00 C ATOM 1558 CD PRO A 60 2.694 -6.238 -6.698 1.00 0.00 C ATOM 0 HA PRO A 60 -0.565 -5.888 -6.408 1.00 0.00 H new ATOM 0 HB2 PRO A 60 0.183 -7.490 -8.520 1.00 0.00 H new ATOM 0 HB3 PRO A 60 0.508 -5.769 -8.556 1.00 0.00 H new ATOM 0 HG2 PRO A 60 2.369 -8.034 -7.876 1.00 0.00 H new ATOM 0 HG3 PRO A 60 2.681 -6.603 -8.839 1.00 0.00 H new ATOM 0 HD2 PRO A 60 3.484 -6.804 -6.204 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.110 -5.262 -6.947 1.00 0.00 H new ATOM 1566 N GLY A 61 0.647 -8.663 -5.365 1.00 0.00 N ATOM 1567 CA GLY A 61 0.274 -9.961 -4.814 1.00 0.00 C ATOM 1568 C GLY A 61 0.737 -11.094 -5.724 1.00 0.00 C ATOM 1569 O GLY A 61 -0.108 -11.856 -6.166 1.00 0.00 O ATOM 1570 OXT GLY A 61 1.928 -11.185 -5.965 1.00 0.00 O ATOM 0 H GLY A 61 1.619 -8.396 -5.206 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.716 -10.081 -3.825 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.808 -10.010 -4.688 1.00 0.00 H new