USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=17 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 Single : A 48 ASN :FLIP amide:sc= 0 F(o=-0.7,f=0) USER MOD Single : B1053 MET CE :methyl -173:sc= -2.77! (180deg=-3.07) USER MOD Single : B1054 THR OG1 : rot 180:sc= -1.32 USER MOD Single : B1057 GLN : amide:sc= -0.236 X(o=-0.24,f=-0.21) USER MOD Single : B1058 MET CE :methyl 177:sc= -2.15 (180deg=-2.26) USER MOD Single : B1060 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B1062 MET CE :methyl -117:sc= -2.57 (180deg=-9.64!) 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+ -170:sc= 0 (180deg=-0.125) USER MOD Single : B1091 TYR OH : rot -40:sc= -1.9 USER MOD Single : B1097 THR OG1 : rot -146:sc= 0.683 USER MOD Single : B1099 ASN : amide:sc= 1.08 K(o=1.1,f=0) USER MOD Single : B1100 THR OG1 : rot -88:sc= 1.19 USER MOD Single : B1101 SER OG : rot -69:sc= -2.91! USER MOD Single : B1102 CYS SG : rot 46:sc= 0.845 USER MOD Single : B1110 CYS SG : rot 77:sc= -0.491 USER MOD Single : B1115 HIS : no HD1:sc= -0.521 X(o=-0.52,f=-0.023) USER MOD Single : B1119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B1121 TYR OH : rot 1:sc= -0.976 USER MOD Single : B1122 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : B1125 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00113) USER MOD Single : B1126 SER OG : rot -40:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 61 N MET B1053 -0.713 -8.132 12.408 1.00 0.00 N ATOM 62 CA MET B1053 -2.111 -8.189 12.010 1.00 0.00 C ATOM 63 C MET B1053 -2.275 -9.030 10.753 1.00 0.00 C ATOM 64 O MET B1053 -1.456 -8.960 9.847 1.00 0.00 O ATOM 65 CB MET B1053 -2.627 -6.783 11.732 1.00 0.00 C ATOM 66 CG MET B1053 -2.887 -6.048 13.046 1.00 0.00 C ATOM 67 SD MET B1053 -3.081 -4.280 12.709 1.00 0.00 S ATOM 68 CE MET B1053 -4.468 -4.417 11.552 1.00 0.00 C ATOM 0 HA MET B1053 -2.680 -8.641 12.822 1.00 0.00 H new ATOM 0 HB2 MET B1053 -1.900 -6.232 11.136 1.00 0.00 H new ATOM 0 HB3 MET B1053 -3.545 -6.834 11.147 1.00 0.00 H new ATOM 0 HG2 MET B1053 -3.784 -6.440 13.525 1.00 0.00 H new ATOM 0 HG3 MET B1053 -2.060 -6.210 13.737 1.00 0.00 H new ATOM 0 HE1 MET B1053 -4.676 -3.440 11.116 1.00 0.00 H new ATOM 0 HE2 MET B1053 -4.213 -5.121 10.760 1.00 0.00 H new ATOM 0 HE3 MET B1053 -5.351 -4.773 12.083 1.00 0.00 H new ATOM 78 N THR B1054 -3.344 -9.811 10.702 1.00 0.00 N ATOM 79 CA THR B1054 -3.606 -10.651 9.540 1.00 0.00 C ATOM 80 C THR B1054 -4.026 -9.787 8.354 1.00 0.00 C ATOM 81 O THR B1054 -4.492 -8.662 8.538 1.00 0.00 O ATOM 82 CB THR B1054 -4.710 -11.656 9.878 1.00 0.00 C ATOM 83 OG1 THR B1054 -5.896 -10.952 10.214 1.00 0.00 O ATOM 84 CG2 THR B1054 -4.268 -12.521 11.057 1.00 0.00 C ATOM 0 H THR B1054 -4.040 -9.882 11.445 1.00 0.00 H new ATOM 0 HA THR B1054 -2.698 -11.191 9.272 1.00 0.00 H new ATOM 0 HB THR B1054 -4.901 -12.297 9.017 1.00 0.00 H new ATOM 0 HG1 THR B1054 -6.606 -11.592 10.430 1.00 0.00 H new ATOM 0 HG21 THR B1054 -5.054 -13.237 11.298 1.00 0.00 H new ATOM 0 HG22 THR B1054 -3.357 -13.058 10.793 1.00 0.00 H new ATOM 0 HG23 THR B1054 -4.077 -11.886 11.923 1.00 0.00 H new ATOM 92 N PRO B1055 -3.873 -10.275 7.148 1.00 0.00 N ATOM 93 CA PRO B1055 -4.256 -9.510 5.927 1.00 0.00 C ATOM 94 C PRO B1055 -5.676 -8.958 6.026 1.00 0.00 C ATOM 95 O PRO B1055 -5.932 -7.811 5.659 1.00 0.00 O ATOM 96 CB PRO B1055 -4.149 -10.549 4.793 1.00 0.00 C ATOM 97 CG PRO B1055 -3.972 -11.874 5.462 1.00 0.00 C ATOM 98 CD PRO B1055 -3.313 -11.585 6.796 1.00 0.00 C ATOM 0 HA PRO B1055 -3.619 -8.639 5.771 1.00 0.00 H new ATOM 0 HB2 PRO B1055 -5.045 -10.542 4.172 1.00 0.00 H new ATOM 0 HB3 PRO B1055 -3.306 -10.327 4.139 1.00 0.00 H new ATOM 0 HG2 PRO B1055 -4.932 -12.372 5.601 1.00 0.00 H new ATOM 0 HG3 PRO B1055 -3.353 -12.537 4.857 1.00 0.00 H new ATOM 0 HD2 PRO B1055 -3.554 -12.343 7.541 1.00 0.00 H new ATOM 0 HD3 PRO B1055 -2.227 -11.553 6.714 1.00 0.00 H new ATOM 106 N GLU B1056 -6.595 -9.774 6.534 1.00 0.00 N ATOM 107 CA GLU B1056 -7.978 -9.337 6.681 1.00 0.00 C ATOM 108 C GLU B1056 -8.085 -8.222 7.716 1.00 0.00 C ATOM 109 O GLU B1056 -8.813 -7.253 7.520 1.00 0.00 O ATOM 110 CB GLU B1056 -8.861 -10.514 7.103 1.00 0.00 C ATOM 111 CG GLU B1056 -8.978 -11.501 5.942 1.00 0.00 C ATOM 112 CD GLU B1056 -9.749 -12.739 6.385 1.00 0.00 C ATOM 113 OE1 GLU B1056 -10.007 -12.860 7.571 1.00 0.00 O ATOM 114 OE2 GLU B1056 -10.068 -13.551 5.532 1.00 0.00 O ATOM 0 H GLU B1056 -6.411 -10.727 6.846 1.00 0.00 H new ATOM 0 HA GLU B1056 -8.318 -8.956 5.718 1.00 0.00 H new ATOM 0 HB2 GLU B1056 -8.434 -11.010 7.975 1.00 0.00 H new ATOM 0 HB3 GLU B1056 -9.849 -10.156 7.392 1.00 0.00 H new ATOM 0 HG2 GLU B1056 -9.486 -11.028 5.102 1.00 0.00 H new ATOM 0 HG3 GLU B1056 -7.985 -11.786 5.595 1.00 0.00 H new ATOM 121 N GLN B1057 -7.352 -8.363 8.817 1.00 0.00 N ATOM 122 CA GLN B1057 -7.382 -7.356 9.875 1.00 0.00 C ATOM 123 C GLN B1057 -6.843 -6.023 9.376 1.00 0.00 C ATOM 124 O GLN B1057 -7.400 -4.965 9.680 1.00 0.00 O ATOM 125 CB GLN B1057 -6.544 -7.829 11.059 1.00 0.00 C ATOM 126 CG GLN B1057 -7.265 -8.980 11.752 1.00 0.00 C ATOM 127 CD GLN B1057 -8.469 -8.453 12.523 1.00 0.00 C ATOM 128 OE1 GLN B1057 -9.606 -8.827 12.235 1.00 0.00 O ATOM 129 NE2 GLN B1057 -8.283 -7.602 13.492 1.00 0.00 N ATOM 0 H GLN B1057 -6.736 -9.155 9.000 1.00 0.00 H new ATOM 0 HA GLN B1057 -8.418 -7.218 10.184 1.00 0.00 H new ATOM 0 HB2 GLN B1057 -5.560 -8.152 10.718 1.00 0.00 H new ATOM 0 HB3 GLN B1057 -6.385 -7.009 11.759 1.00 0.00 H new ATOM 0 HG2 GLN B1057 -7.588 -9.714 11.014 1.00 0.00 H new ATOM 0 HG3 GLN B1057 -6.583 -9.491 12.432 1.00 0.00 H new ATOM 0 HE21 GLN B1057 -7.339 -7.295 13.727 1.00 0.00 H new ATOM 0 HE22 GLN B1057 -9.081 -7.243 14.016 1.00 0.00 H new ATOM 138 N MET B1058 -5.763 -6.073 8.607 1.00 0.00 N ATOM 139 CA MET B1058 -5.184 -4.849 8.084 1.00 0.00 C ATOM 140 C MET B1058 -6.175 -4.164 7.154 1.00 0.00 C ATOM 141 O MET B1058 -6.321 -2.943 7.177 1.00 0.00 O ATOM 142 CB MET B1058 -3.882 -5.133 7.326 1.00 0.00 C ATOM 143 CG MET B1058 -2.788 -5.558 8.310 1.00 0.00 C ATOM 144 SD MET B1058 -1.182 -5.561 7.472 1.00 0.00 S ATOM 145 CE MET B1058 -1.457 -6.989 6.395 1.00 0.00 C ATOM 0 H MET B1058 -5.281 -6.930 8.337 1.00 0.00 H new ATOM 0 HA MET B1058 -4.957 -4.195 8.926 1.00 0.00 H new ATOM 0 HB2 MET B1058 -4.045 -5.919 6.588 1.00 0.00 H new ATOM 0 HB3 MET B1058 -3.567 -4.243 6.781 1.00 0.00 H new ATOM 0 HG2 MET B1058 -2.765 -4.876 9.160 1.00 0.00 H new ATOM 0 HG3 MET B1058 -3.005 -6.551 8.704 1.00 0.00 H new ATOM 0 HE1 MET B1058 -0.591 -7.129 5.748 1.00 0.00 H new ATOM 0 HE2 MET B1058 -1.604 -7.881 7.004 1.00 0.00 H new ATOM 0 HE3 MET B1058 -2.343 -6.818 5.783 1.00 0.00 H new ATOM 155 N ALA B1059 -6.861 -4.959 6.336 1.00 0.00 N ATOM 156 CA ALA B1059 -7.839 -4.402 5.405 1.00 0.00 C ATOM 157 C ALA B1059 -8.981 -3.726 6.154 1.00 0.00 C ATOM 158 O ALA B1059 -9.451 -2.661 5.755 1.00 0.00 O ATOM 159 CB ALA B1059 -8.400 -5.497 4.501 1.00 0.00 C ATOM 0 H ALA B1059 -6.761 -5.973 6.298 1.00 0.00 H new ATOM 0 HA ALA B1059 -7.330 -3.657 4.794 1.00 0.00 H new ATOM 0 HB1 ALA B1059 -9.127 -5.064 3.814 1.00 0.00 H new ATOM 0 HB2 ALA B1059 -7.588 -5.951 3.932 1.00 0.00 H new ATOM 0 HB3 ALA B1059 -8.886 -6.259 5.111 1.00 0.00 H new ATOM 165 N LYS B1060 -9.431 -4.353 7.238 1.00 0.00 N ATOM 166 CA LYS B1060 -10.526 -3.794 8.021 1.00 0.00 C ATOM 167 C LYS B1060 -10.145 -2.435 8.588 1.00 0.00 C ATOM 168 O LYS B1060 -10.950 -1.504 8.573 1.00 0.00 O ATOM 169 CB LYS B1060 -10.887 -4.740 9.167 1.00 0.00 C ATOM 170 CG LYS B1060 -11.570 -5.989 8.608 1.00 0.00 C ATOM 171 CD LYS B1060 -11.889 -6.950 9.756 1.00 0.00 C ATOM 172 CE LYS B1060 -12.579 -8.197 9.203 1.00 0.00 C ATOM 173 NZ LYS B1060 -12.877 -9.135 10.320 1.00 0.00 N ATOM 0 H LYS B1060 -9.060 -5.236 7.589 1.00 0.00 H new ATOM 0 HA LYS B1060 -11.387 -3.672 7.363 1.00 0.00 H new ATOM 0 HB2 LYS B1060 -9.989 -5.020 9.717 1.00 0.00 H new ATOM 0 HB3 LYS B1060 -11.548 -4.237 9.872 1.00 0.00 H new ATOM 0 HG2 LYS B1060 -12.486 -5.713 8.085 1.00 0.00 H new ATOM 0 HG3 LYS B1060 -10.922 -6.477 7.880 1.00 0.00 H new ATOM 0 HD2 LYS B1060 -10.972 -7.229 10.275 1.00 0.00 H new ATOM 0 HD3 LYS B1060 -12.532 -6.459 10.486 1.00 0.00 H new ATOM 0 HE2 LYS B1060 -13.501 -7.919 8.691 1.00 0.00 H new ATOM 0 HE3 LYS B1060 -11.939 -8.683 8.466 1.00 0.00 H new ATOM 0 HZ1 LYS B1060 -13.346 -9.984 9.945 1.00 0.00 H new ATOM 0 HZ2 LYS B1060 -11.990 -9.409 10.789 1.00 0.00 H new ATOM 0 HZ3 LYS B1060 -13.503 -8.669 11.007 1.00 0.00 H new ATOM 187 N GLU B1061 -8.916 -2.315 9.082 1.00 0.00 N ATOM 188 CA GLU B1061 -8.473 -1.045 9.639 1.00 0.00 C ATOM 189 C GLU B1061 -8.418 0.023 8.551 1.00 0.00 C ATOM 190 O GLU B1061 -8.787 1.172 8.785 1.00 0.00 O ATOM 191 CB GLU B1061 -7.095 -1.200 10.290 1.00 0.00 C ATOM 192 CG GLU B1061 -7.211 -2.054 11.558 1.00 0.00 C ATOM 193 CD GLU B1061 -8.160 -1.401 12.558 1.00 0.00 C ATOM 194 OE1 GLU B1061 -7.998 -0.219 12.814 1.00 0.00 O ATOM 195 OE2 GLU B1061 -9.036 -2.092 13.052 1.00 0.00 O ATOM 0 H GLU B1061 -8.224 -3.064 9.108 1.00 0.00 H new ATOM 0 HA GLU B1061 -9.189 -0.735 10.400 1.00 0.00 H new ATOM 0 HB2 GLU B1061 -6.402 -1.666 9.589 1.00 0.00 H new ATOM 0 HB3 GLU B1061 -6.687 -0.220 10.537 1.00 0.00 H new ATOM 0 HG2 GLU B1061 -7.573 -3.049 11.301 1.00 0.00 H new ATOM 0 HG3 GLU B1061 -6.227 -2.179 12.010 1.00 0.00 H new ATOM 202 N MET B1062 -7.956 -0.355 7.361 1.00 0.00 N ATOM 203 CA MET B1062 -7.865 0.599 6.261 1.00 0.00 C ATOM 204 C MET B1062 -9.244 1.139 5.899 1.00 0.00 C ATOM 205 O MET B1062 -9.412 2.336 5.670 1.00 0.00 O ATOM 206 CB MET B1062 -7.263 -0.084 5.037 1.00 0.00 C ATOM 207 CG MET B1062 -5.802 -0.416 5.315 1.00 0.00 C ATOM 208 SD MET B1062 -5.161 -1.456 3.981 1.00 0.00 S ATOM 209 CE MET B1062 -3.998 -2.405 4.989 1.00 0.00 C ATOM 0 H MET B1062 -7.644 -1.300 7.137 1.00 0.00 H new ATOM 0 HA MET B1062 -7.231 1.427 6.578 1.00 0.00 H new ATOM 0 HB2 MET B1062 -7.817 -0.993 4.804 1.00 0.00 H new ATOM 0 HB3 MET B1062 -7.341 0.568 4.167 1.00 0.00 H new ATOM 0 HG2 MET B1062 -5.217 0.501 5.390 1.00 0.00 H new ATOM 0 HG3 MET B1062 -5.710 -0.932 6.270 1.00 0.00 H new ATOM 0 HE1 MET B1062 -2.981 -2.217 4.645 1.00 0.00 H new ATOM 0 HE2 MET B1062 -4.090 -2.103 6.032 1.00 0.00 H new ATOM 0 HE3 MET B1062 -4.221 -3.468 4.898 1.00 0.00 H new ATOM 219 N SER B1063 -10.231 0.251 5.853 1.00 0.00 N ATOM 220 CA SER B1063 -11.590 0.657 5.520 1.00 0.00 C ATOM 221 C SER B1063 -12.128 1.628 6.564 1.00 0.00 C ATOM 222 O SER B1063 -12.759 2.631 6.231 1.00 0.00 O ATOM 223 CB SER B1063 -12.501 -0.567 5.437 1.00 0.00 C ATOM 224 OG SER B1063 -13.821 -0.147 5.118 1.00 0.00 O ATOM 0 H SER B1063 -10.117 -0.745 6.040 1.00 0.00 H new ATOM 0 HA SER B1063 -11.571 1.156 4.551 1.00 0.00 H new ATOM 0 HB2 SER B1063 -12.133 -1.258 4.679 1.00 0.00 H new ATOM 0 HB3 SER B1063 -12.497 -1.103 6.386 1.00 0.00 H new ATOM 0 HG SER B1063 -14.409 -0.929 5.062 1.00 0.00 H new ATOM 230 N GLU B1064 -11.878 1.316 7.830 1.00 0.00 N ATOM 231 CA GLU B1064 -12.346 2.159 8.923 1.00 0.00 C ATOM 232 C GLU B1064 -11.736 3.553 8.842 1.00 0.00 C ATOM 233 O GLU B1064 -12.421 4.552 9.059 1.00 0.00 O ATOM 234 CB GLU B1064 -11.959 1.525 10.256 1.00 0.00 C ATOM 235 CG GLU B1064 -12.793 0.263 10.488 1.00 0.00 C ATOM 236 CD GLU B1064 -12.319 -0.444 11.754 1.00 0.00 C ATOM 237 OE1 GLU B1064 -11.291 -0.050 12.279 1.00 0.00 O ATOM 238 OE2 GLU B1064 -12.990 -1.371 12.177 1.00 0.00 O ATOM 0 H GLU B1064 -11.357 0.490 8.124 1.00 0.00 H new ATOM 0 HA GLU B1064 -13.430 2.247 8.845 1.00 0.00 H new ATOM 0 HB2 GLU B1064 -10.898 1.277 10.257 1.00 0.00 H new ATOM 0 HB3 GLU B1064 -12.121 2.234 11.068 1.00 0.00 H new ATOM 0 HG2 GLU B1064 -13.847 0.524 10.579 1.00 0.00 H new ATOM 0 HG3 GLU B1064 -12.704 -0.406 9.632 1.00 0.00 H new ATOM 559 N LEU B1086 4.135 6.371 -1.412 1.00 0.00 N ATOM 560 CA LEU B1086 3.661 5.653 -0.238 1.00 0.00 C ATOM 561 C LEU B1086 3.292 4.214 -0.593 1.00 0.00 C ATOM 562 O LEU B1086 2.942 3.421 0.280 1.00 0.00 O ATOM 563 CB LEU B1086 2.441 6.372 0.331 1.00 0.00 C ATOM 564 CG LEU B1086 2.832 7.805 0.690 1.00 0.00 C ATOM 565 CD1 LEU B1086 1.578 8.612 1.024 1.00 0.00 C ATOM 566 CD2 LEU B1086 3.762 7.794 1.905 1.00 0.00 C ATOM 0 HA LEU B1086 4.458 5.628 0.505 1.00 0.00 H new ATOM 0 HB2 LEU B1086 1.631 6.374 -0.398 1.00 0.00 H new ATOM 0 HB3 LEU B1086 2.074 5.849 1.214 1.00 0.00 H new ATOM 0 HG LEU B1086 3.343 8.260 -0.158 1.00 0.00 H new ATOM 0 HD11 LEU B1086 1.860 9.633 1.280 1.00 0.00 H new ATOM 0 HD12 LEU B1086 0.913 8.624 0.161 1.00 0.00 H new ATOM 0 HD13 LEU B1086 1.066 8.155 1.870 1.00 0.00 H new ATOM 0 HD21 LEU B1086 4.040 8.817 2.160 1.00 0.00 H new ATOM 0 HD22 LEU B1086 3.250 7.336 2.751 1.00 0.00 H new ATOM 0 HD23 LEU B1086 4.660 7.222 1.671 1.00 0.00 H new ATOM 578 N SER B1087 3.377 3.876 -1.879 1.00 0.00 N ATOM 579 CA SER B1087 3.054 2.530 -2.322 1.00 0.00 C ATOM 580 C SER B1087 4.095 1.538 -1.809 1.00 0.00 C ATOM 581 O SER B1087 3.878 0.329 -1.841 1.00 0.00 O ATOM 582 CB SER B1087 2.994 2.483 -3.849 1.00 0.00 C ATOM 583 OG SER B1087 4.283 2.751 -4.381 1.00 0.00 O ATOM 0 H SER B1087 3.664 4.512 -2.623 1.00 0.00 H new ATOM 0 HA SER B1087 2.080 2.253 -1.919 1.00 0.00 H new ATOM 0 HB2 SER B1087 2.648 1.504 -4.180 1.00 0.00 H new ATOM 0 HB3 SER B1087 2.277 3.216 -4.218 1.00 0.00 H new ATOM 0 HG SER B1087 4.246 2.719 -5.360 1.00 0.00 H new ATOM 589 N LYS B1088 5.222 2.055 -1.333 1.00 0.00 N ATOM 590 CA LYS B1088 6.275 1.194 -0.810 1.00 0.00 C ATOM 591 C LYS B1088 6.364 1.306 0.711 1.00 0.00 C ATOM 592 O LYS B1088 7.328 0.846 1.319 1.00 0.00 O ATOM 593 CB LYS B1088 7.614 1.575 -1.440 1.00 0.00 C ATOM 594 CG LYS B1088 7.543 1.330 -2.948 1.00 0.00 C ATOM 595 CD LYS B1088 8.908 1.597 -3.581 1.00 0.00 C ATOM 596 CE LYS B1088 9.211 3.095 -3.528 1.00 0.00 C ATOM 597 NZ LYS B1088 10.495 3.367 -4.234 1.00 0.00 N ATOM 0 H LYS B1088 5.428 3.053 -1.298 1.00 0.00 H new ATOM 0 HA LYS B1088 6.035 0.161 -1.064 1.00 0.00 H new ATOM 0 HB2 LYS B1088 7.840 2.622 -1.239 1.00 0.00 H new ATOM 0 HB3 LYS B1088 8.418 0.985 -1.000 1.00 0.00 H new ATOM 0 HG2 LYS B1088 7.235 0.303 -3.145 1.00 0.00 H new ATOM 0 HG3 LYS B1088 6.791 1.979 -3.396 1.00 0.00 H new ATOM 0 HD2 LYS B1088 9.681 1.040 -3.052 1.00 0.00 H new ATOM 0 HD3 LYS B1088 8.916 1.250 -4.614 1.00 0.00 H new ATOM 0 HE2 LYS B1088 8.401 3.657 -3.993 1.00 0.00 H new ATOM 0 HE3 LYS B1088 9.276 3.427 -2.492 1.00 0.00 H new ATOM 0 HZ1 LYS B1088 10.702 4.386 -4.198 1.00 0.00 H new ATOM 0 HZ2 LYS B1088 11.264 2.841 -3.771 1.00 0.00 H new ATOM 0 HZ3 LYS B1088 10.417 3.064 -5.226 1.00 0.00 H new ATOM 611 N TRP B1089 5.356 1.929 1.323 1.00 0.00 N ATOM 612 CA TRP B1089 5.347 2.098 2.773 1.00 0.00 C ATOM 613 C TRP B1089 4.506 1.022 3.445 1.00 0.00 C ATOM 614 O TRP B1089 3.387 0.741 3.028 1.00 0.00 O ATOM 615 CB TRP B1089 4.798 3.479 3.143 1.00 0.00 C ATOM 616 CG TRP B1089 5.822 4.525 2.837 1.00 0.00 C ATOM 617 CD1 TRP B1089 6.595 4.551 1.730 1.00 0.00 C ATOM 618 CD2 TRP B1089 6.203 5.691 3.627 1.00 0.00 C ATOM 619 NE1 TRP B1089 7.423 5.650 1.787 1.00 0.00 N ATOM 620 CE2 TRP B1089 7.220 6.387 2.934 1.00 0.00 C ATOM 621 CE3 TRP B1089 5.772 6.206 4.862 1.00 0.00 C ATOM 622 CZ2 TRP B1089 7.788 7.554 3.447 1.00 0.00 C ATOM 623 CZ3 TRP B1089 6.342 7.381 5.380 1.00 0.00 C ATOM 624 CH2 TRP B1089 7.348 8.051 4.675 1.00 0.00 C ATOM 0 H TRP B1089 4.545 2.320 0.843 1.00 0.00 H new ATOM 0 HA TRP B1089 6.375 2.008 3.125 1.00 0.00 H new ATOM 0 HB2 TRP B1089 3.882 3.678 2.586 1.00 0.00 H new ATOM 0 HB3 TRP B1089 4.540 3.507 4.202 1.00 0.00 H new ATOM 0 HD1 TRP B1089 6.568 3.827 0.929 1.00 0.00 H new ATOM 0 HE1 TRP B1089 8.105 5.890 1.067 1.00 0.00 H new ATOM 0 HE3 TRP B1089 4.998 5.695 5.416 1.00 0.00 H new ATOM 0 HZ2 TRP B1089 8.562 8.069 2.898 1.00 0.00 H new ATOM 0 HZ3 TRP B1089 6.002 7.770 6.328 1.00 0.00 H new ATOM 0 HH2 TRP B1089 7.784 8.952 5.081 1.00 0.00 H new ATOM 635 N LYS B1090 5.055 0.435 4.497 1.00 0.00 N ATOM 636 CA LYS B1090 4.346 -0.609 5.235 1.00 0.00 C ATOM 637 C LYS B1090 3.065 -0.065 5.843 1.00 0.00 C ATOM 638 O LYS B1090 2.897 1.147 5.982 1.00 0.00 O ATOM 639 CB LYS B1090 5.225 -1.161 6.358 1.00 0.00 C ATOM 640 CG LYS B1090 6.463 -1.840 5.781 1.00 0.00 C ATOM 641 CD LYS B1090 6.051 -3.125 5.062 1.00 0.00 C ATOM 642 CE LYS B1090 7.294 -3.922 4.654 1.00 0.00 C ATOM 643 NZ LYS B1090 8.052 -3.169 3.616 1.00 0.00 N ATOM 0 H LYS B1090 5.982 0.658 4.860 1.00 0.00 H new ATOM 0 HA LYS B1090 4.104 -1.405 4.530 1.00 0.00 H new ATOM 0 HB2 LYS B1090 5.524 -0.352 7.025 1.00 0.00 H new ATOM 0 HB3 LYS B1090 4.657 -1.874 6.956 1.00 0.00 H new ATOM 0 HG2 LYS B1090 6.969 -1.169 5.087 1.00 0.00 H new ATOM 0 HG3 LYS B1090 7.171 -2.067 6.578 1.00 0.00 H new ATOM 0 HD2 LYS B1090 5.420 -3.729 5.714 1.00 0.00 H new ATOM 0 HD3 LYS B1090 5.459 -2.883 4.179 1.00 0.00 H new ATOM 0 HE2 LYS B1090 7.927 -4.099 5.524 1.00 0.00 H new ATOM 0 HE3 LYS B1090 7.002 -4.899 4.268 1.00 0.00 H new ATOM 0 HZ1 LYS B1090 8.795 -3.778 3.219 1.00 0.00 H new ATOM 0 HZ2 LYS B1090 7.404 -2.875 2.858 1.00 0.00 H new ATOM 0 HZ3 LYS B1090 8.487 -2.328 4.046 1.00 0.00 H new ATOM 657 N TYR B1091 2.163 -0.969 6.215 1.00 0.00 N ATOM 658 CA TYR B1091 0.909 -0.560 6.820 1.00 0.00 C ATOM 659 C TYR B1091 1.181 0.268 8.063 1.00 0.00 C ATOM 660 O TYR B1091 0.581 1.325 8.260 1.00 0.00 O ATOM 661 CB TYR B1091 0.082 -1.790 7.194 1.00 0.00 C ATOM 662 CG TYR B1091 -1.111 -1.369 8.016 1.00 0.00 C ATOM 663 CD1 TYR B1091 -2.174 -0.687 7.415 1.00 0.00 C ATOM 664 CD2 TYR B1091 -1.156 -1.671 9.382 1.00 0.00 C ATOM 665 CE1 TYR B1091 -3.281 -0.303 8.179 1.00 0.00 C ATOM 666 CE2 TYR B1091 -2.264 -1.288 10.147 1.00 0.00 C ATOM 667 CZ TYR B1091 -3.326 -0.605 9.546 1.00 0.00 C ATOM 668 OH TYR B1091 -4.418 -0.228 10.302 1.00 0.00 O ATOM 0 H TYR B1091 2.279 -1.977 6.108 1.00 0.00 H new ATOM 0 HA TYR B1091 0.351 0.041 6.102 1.00 0.00 H new ATOM 0 HB2 TYR B1091 -0.249 -2.306 6.293 1.00 0.00 H new ATOM 0 HB3 TYR B1091 0.694 -2.494 7.758 1.00 0.00 H new ATOM 0 HD1 TYR B1091 -2.140 -0.457 6.360 1.00 0.00 H new ATOM 0 HD2 TYR B1091 -0.336 -2.199 9.846 1.00 0.00 H new ATOM 0 HE1 TYR B1091 -4.100 0.226 7.715 1.00 0.00 H new ATOM 0 HE2 TYR B1091 -2.299 -1.520 11.201 1.00 0.00 H new ATOM 0 HH TYR B1091 -4.710 0.667 10.031 1.00 0.00 H new ATOM 678 N ALA B1092 2.090 -0.214 8.901 1.00 0.00 N ATOM 679 CA ALA B1092 2.425 0.509 10.122 1.00 0.00 C ATOM 680 C ALA B1092 3.011 1.877 9.789 1.00 0.00 C ATOM 681 O ALA B1092 2.723 2.870 10.458 1.00 0.00 O ATOM 682 CB ALA B1092 3.423 -0.296 10.956 1.00 0.00 C ATOM 0 H ALA B1092 2.601 -1.086 8.763 1.00 0.00 H new ATOM 0 HA ALA B1092 1.512 0.651 10.700 1.00 0.00 H new ATOM 0 HB1 ALA B1092 3.665 0.255 11.865 1.00 0.00 H new ATOM 0 HB2 ALA B1092 2.984 -1.258 11.220 1.00 0.00 H new ATOM 0 HB3 ALA B1092 4.332 -0.459 10.378 1.00 0.00 H new ATOM 688 N GLU B1093 3.844 1.915 8.754 1.00 0.00 N ATOM 689 CA GLU B1093 4.480 3.162 8.336 1.00 0.00 C ATOM 690 C GLU B1093 3.441 4.180 7.874 1.00 0.00 C ATOM 691 O GLU B1093 3.529 5.360 8.213 1.00 0.00 O ATOM 692 CB GLU B1093 5.471 2.891 7.198 1.00 0.00 C ATOM 693 CG GLU B1093 6.672 2.109 7.737 1.00 0.00 C ATOM 694 CD GLU B1093 7.618 1.752 6.595 1.00 0.00 C ATOM 695 OE1 GLU B1093 7.243 1.963 5.453 1.00 0.00 O ATOM 696 OE2 GLU B1093 8.702 1.270 6.879 1.00 0.00 O ATOM 0 H GLU B1093 4.094 1.102 8.191 1.00 0.00 H new ATOM 0 HA GLU B1093 5.011 3.573 9.194 1.00 0.00 H new ATOM 0 HB2 GLU B1093 4.983 2.326 6.404 1.00 0.00 H new ATOM 0 HB3 GLU B1093 5.804 3.832 6.760 1.00 0.00 H new ATOM 0 HG2 GLU B1093 7.198 2.704 8.483 1.00 0.00 H new ATOM 0 HG3 GLU B1093 6.331 1.201 8.235 1.00 0.00 H new ATOM 703 N LEU B1094 2.448 3.724 7.110 1.00 0.00 N ATOM 704 CA LEU B1094 1.405 4.622 6.632 1.00 0.00 C ATOM 705 C LEU B1094 0.605 5.170 7.798 1.00 0.00 C ATOM 706 O LEU B1094 0.249 6.348 7.819 1.00 0.00 O ATOM 707 CB LEU B1094 0.490 3.889 5.656 1.00 0.00 C ATOM 708 CG LEU B1094 1.248 3.673 4.351 1.00 0.00 C ATOM 709 CD1 LEU B1094 0.514 2.646 3.485 1.00 0.00 C ATOM 710 CD2 LEU B1094 1.326 5.002 3.594 1.00 0.00 C ATOM 0 H LEU B1094 2.347 2.753 6.814 1.00 0.00 H new ATOM 0 HA LEU B1094 1.873 5.458 6.112 1.00 0.00 H new ATOM 0 HB2 LEU B1094 0.178 2.933 6.075 1.00 0.00 H new ATOM 0 HB3 LEU B1094 -0.415 4.469 5.477 1.00 0.00 H new ATOM 0 HG LEU B1094 2.250 3.306 4.572 1.00 0.00 H new ATOM 0 HD11 LEU B1094 1.062 2.497 2.554 1.00 0.00 H new ATOM 0 HD12 LEU B1094 0.446 1.700 4.022 1.00 0.00 H new ATOM 0 HD13 LEU B1094 -0.489 3.009 3.262 1.00 0.00 H new ATOM 0 HD21 LEU B1094 1.867 4.857 2.659 1.00 0.00 H new ATOM 0 HD22 LEU B1094 0.318 5.358 3.379 1.00 0.00 H new ATOM 0 HD23 LEU B1094 1.848 5.738 4.205 1.00 0.00 H new ATOM 722 N ARG B1095 0.341 4.316 8.776 1.00 0.00 N ATOM 723 CA ARG B1095 -0.403 4.738 9.948 1.00 0.00 C ATOM 724 C ARG B1095 0.317 5.877 10.648 1.00 0.00 C ATOM 725 O ARG B1095 -0.277 6.911 10.953 1.00 0.00 O ATOM 726 CB ARG B1095 -0.546 3.559 10.904 1.00 0.00 C ATOM 727 CG ARG B1095 -1.061 4.067 12.249 1.00 0.00 C ATOM 728 CD ARG B1095 -1.642 2.907 13.041 1.00 0.00 C ATOM 729 NE ARG B1095 -2.932 2.545 12.474 1.00 0.00 N ATOM 730 CZ ARG B1095 -3.689 1.578 13.000 1.00 0.00 C ATOM 731 NH1 ARG B1095 -3.286 0.905 14.050 1.00 0.00 N ATOM 732 NH2 ARG B1095 -4.850 1.306 12.467 1.00 0.00 N ATOM 0 H ARG B1095 0.628 3.337 8.780 1.00 0.00 H new ATOM 0 HA ARG B1095 -1.389 5.085 9.639 1.00 0.00 H new ATOM 0 HB2 ARG B1095 -1.235 2.822 10.492 1.00 0.00 H new ATOM 0 HB3 ARG B1095 0.415 3.061 11.033 1.00 0.00 H new ATOM 0 HG2 ARG B1095 -0.250 4.533 12.808 1.00 0.00 H new ATOM 0 HG3 ARG B1095 -1.822 4.832 12.094 1.00 0.00 H new ATOM 0 HD2 ARG B1095 -0.965 2.054 13.010 1.00 0.00 H new ATOM 0 HD3 ARG B1095 -1.756 3.186 14.088 1.00 0.00 H new ATOM 0 HE ARG B1095 -3.268 3.044 11.651 1.00 0.00 H new ATOM 0 HH11 ARG B1095 -2.384 1.117 14.476 1.00 0.00 H new ATOM 0 HH12 ARG B1095 -3.875 0.169 14.441 1.00 0.00 H new ATOM 0 HH21 ARG B1095 -5.174 1.831 11.654 1.00 0.00 H new ATOM 0 HH22 ARG B1095 -5.433 0.569 12.863 1.00 0.00 H new ATOM 746 N ASP B1096 1.604 5.684 10.884 1.00 0.00 N ATOM 747 CA ASP B1096 2.407 6.707 11.533 1.00 0.00 C ATOM 748 C ASP B1096 2.453 7.960 10.671 1.00 0.00 C ATOM 749 O ASP B1096 2.408 9.077 11.183 1.00 0.00 O ATOM 750 CB ASP B1096 3.826 6.195 11.782 1.00 0.00 C ATOM 751 CG ASP B1096 3.812 5.155 12.898 1.00 0.00 C ATOM 752 OD1 ASP B1096 2.802 5.057 13.575 1.00 0.00 O ATOM 753 OD2 ASP B1096 4.809 4.472 13.058 1.00 0.00 O ATOM 0 H ASP B1096 2.112 4.835 10.638 1.00 0.00 H new ATOM 0 HA ASP B1096 1.949 6.950 12.492 1.00 0.00 H new ATOM 0 HB2 ASP B1096 4.230 5.757 10.869 1.00 0.00 H new ATOM 0 HB3 ASP B1096 4.479 7.024 12.053 1.00 0.00 H new ATOM 758 N THR B1097 2.543 7.769 9.356 1.00 0.00 N ATOM 759 CA THR B1097 2.596 8.901 8.445 1.00 0.00 C ATOM 760 C THR B1097 1.336 9.750 8.567 1.00 0.00 C ATOM 761 O THR B1097 1.407 10.974 8.627 1.00 0.00 O ATOM 762 CB THR B1097 2.737 8.407 7.006 1.00 0.00 C ATOM 763 OG1 THR B1097 3.943 7.668 6.877 1.00 0.00 O ATOM 764 CG2 THR B1097 2.766 9.609 6.061 1.00 0.00 C ATOM 0 H THR B1097 2.580 6.854 8.907 1.00 0.00 H new ATOM 0 HA THR B1097 3.460 9.511 8.709 1.00 0.00 H new ATOM 0 HB THR B1097 1.893 7.766 6.752 1.00 0.00 H new ATOM 0 HG1 THR B1097 4.318 7.808 5.982 1.00 0.00 H new ATOM 0 HG21 THR B1097 2.867 9.261 5.033 1.00 0.00 H new ATOM 0 HG22 THR B1097 1.840 10.175 6.164 1.00 0.00 H new ATOM 0 HG23 THR B1097 3.612 10.249 6.312 1.00 0.00 H new ATOM 772 N ILE B1098 0.183 9.097 8.595 1.00 0.00 N ATOM 773 CA ILE B1098 -1.079 9.822 8.701 1.00 0.00 C ATOM 774 C ILE B1098 -1.135 10.620 10.001 1.00 0.00 C ATOM 775 O ILE B1098 -1.474 11.802 10.002 1.00 0.00 O ATOM 776 CB ILE B1098 -2.241 8.834 8.664 1.00 0.00 C ATOM 777 CG1 ILE B1098 -2.301 8.195 7.280 1.00 0.00 C ATOM 778 CG2 ILE B1098 -3.550 9.574 8.941 1.00 0.00 C ATOM 779 CD1 ILE B1098 -3.282 7.021 7.297 1.00 0.00 C ATOM 0 H ILE B1098 0.093 8.082 8.547 1.00 0.00 H new ATOM 0 HA ILE B1098 -1.153 10.513 7.862 1.00 0.00 H new ATOM 0 HB ILE B1098 -2.096 8.064 9.422 1.00 0.00 H new ATOM 0 HG12 ILE B1098 -2.614 8.933 6.541 1.00 0.00 H new ATOM 0 HG13 ILE B1098 -1.310 7.849 6.985 1.00 0.00 H new ATOM 0 HG21 ILE B1098 -4.380 8.868 8.914 1.00 0.00 H new ATOM 0 HG22 ILE B1098 -3.503 10.041 9.925 1.00 0.00 H new ATOM 0 HG23 ILE B1098 -3.702 10.341 8.182 1.00 0.00 H new ATOM 0 HD11 ILE B1098 -3.323 6.567 6.307 1.00 0.00 H new ATOM 0 HD12 ILE B1098 -2.949 6.279 8.023 1.00 0.00 H new ATOM 0 HD13 ILE B1098 -4.274 7.380 7.573 1.00 0.00 H new ATOM 791 N ASN B1099 -0.795 9.967 11.104 1.00 0.00 N ATOM 792 CA ASN B1099 -0.810 10.625 12.406 1.00 0.00 C ATOM 793 C ASN B1099 0.182 11.783 12.450 1.00 0.00 C ATOM 794 O ASN B1099 -0.093 12.826 13.043 1.00 0.00 O ATOM 795 CB ASN B1099 -0.476 9.608 13.494 1.00 0.00 C ATOM 796 CG ASN B1099 -1.711 8.772 13.801 1.00 0.00 C ATOM 797 OD1 ASN B1099 -2.447 9.072 14.742 1.00 0.00 O ATOM 798 ND2 ASN B1099 -2.011 7.761 13.030 1.00 0.00 N ATOM 0 H ASN B1099 -0.507 8.989 11.125 1.00 0.00 H new ATOM 0 HA ASN B1099 -1.807 11.031 12.577 1.00 0.00 H new ATOM 0 HB2 ASN B1099 0.340 8.964 13.167 1.00 0.00 H new ATOM 0 HB3 ASN B1099 -0.137 10.120 14.394 1.00 0.00 H new ATOM 0 HD21 ASN B1099 -2.856 7.218 13.207 1.00 0.00 H new ATOM 0 HD22 ASN B1099 -1.400 7.515 12.251 1.00 0.00 H new ATOM 805 N THR B1100 1.336 11.595 11.821 1.00 0.00 N ATOM 806 CA THR B1100 2.358 12.633 11.799 1.00 0.00 C ATOM 807 C THR B1100 2.157 13.578 10.617 1.00 0.00 C ATOM 808 O THR B1100 2.919 14.528 10.442 1.00 0.00 O ATOM 809 CB THR B1100 3.741 11.993 11.704 1.00 0.00 C ATOM 810 OG1 THR B1100 3.837 11.251 10.496 1.00 0.00 O ATOM 811 CG2 THR B1100 3.947 11.064 12.895 1.00 0.00 C ATOM 0 H THR B1100 1.586 10.740 11.323 1.00 0.00 H new ATOM 0 HA THR B1100 2.276 13.208 12.721 1.00 0.00 H new ATOM 0 HB THR B1100 4.507 12.769 11.711 1.00 0.00 H new ATOM 0 HG1 THR B1100 3.508 10.340 10.645 1.00 0.00 H new ATOM 0 HG21 THR B1100 4.933 10.604 12.832 1.00 0.00 H new ATOM 0 HG22 THR B1100 3.872 11.636 13.820 1.00 0.00 H new ATOM 0 HG23 THR B1100 3.183 10.286 12.886 1.00 0.00 H new ATOM 819 N SER B1101 1.146 13.309 9.796 1.00 0.00 N ATOM 820 CA SER B1101 0.887 14.135 8.636 1.00 0.00 C ATOM 821 C SER B1101 0.687 15.586 9.040 1.00 0.00 C ATOM 822 O SER B1101 -0.086 15.895 9.946 1.00 0.00 O ATOM 823 CB SER B1101 -0.369 13.647 7.928 1.00 0.00 C ATOM 824 OG SER B1101 -1.497 13.972 8.729 1.00 0.00 O ATOM 0 H SER B1101 0.500 12.529 9.917 1.00 0.00 H new ATOM 0 HA SER B1101 1.747 14.065 7.970 1.00 0.00 H new ATOM 0 HB2 SER B1101 -0.455 14.113 6.947 1.00 0.00 H new ATOM 0 HB3 SER B1101 -0.318 12.570 7.766 1.00 0.00 H new ATOM 0 HG SER B1101 -1.494 13.419 9.538 1.00 0.00 H new ATOM 830 N CYS B1102 1.378 16.465 8.341 1.00 0.00 N ATOM 831 CA CYS B1102 1.271 17.892 8.595 1.00 0.00 C ATOM 832 C CYS B1102 0.676 18.603 7.381 1.00 0.00 C ATOM 833 O CYS B1102 0.430 19.808 7.421 1.00 0.00 O ATOM 834 CB CYS B1102 2.649 18.469 8.916 1.00 0.00 C ATOM 835 SG CYS B1102 3.287 17.700 10.424 1.00 0.00 S ATOM 0 H CYS B1102 2.022 16.217 7.590 1.00 0.00 H new ATOM 0 HA CYS B1102 0.612 18.048 9.449 1.00 0.00 H new ATOM 0 HB2 CYS B1102 3.333 18.290 8.086 1.00 0.00 H new ATOM 0 HB3 CYS B1102 2.582 19.549 9.046 1.00 0.00 H new ATOM 0 HG CYS B1102 3.104 16.414 10.366 1.00 0.00 H new ATOM 841 N ASP B1103 0.449 17.854 6.297 1.00 0.00 N ATOM 842 CA ASP B1103 -0.115 18.437 5.085 1.00 0.00 C ATOM 843 C ASP B1103 -1.300 17.613 4.581 1.00 0.00 C ATOM 844 O ASP B1103 -1.302 16.384 4.673 1.00 0.00 O ATOM 845 CB ASP B1103 0.958 18.518 3.996 1.00 0.00 C ATOM 846 CG ASP B1103 1.977 19.597 4.349 1.00 0.00 C ATOM 847 OD1 ASP B1103 1.697 20.379 5.243 1.00 0.00 O ATOM 848 OD2 ASP B1103 3.023 19.627 3.722 1.00 0.00 O ATOM 0 H ASP B1103 0.646 16.855 6.238 1.00 0.00 H new ATOM 0 HA ASP B1103 -0.469 19.440 5.323 1.00 0.00 H new ATOM 0 HB2 ASP B1103 1.457 17.554 3.893 1.00 0.00 H new ATOM 0 HB3 ASP B1103 0.496 18.742 3.035 1.00 0.00 H new ATOM 853 N ILE B1104 -2.303 18.299 4.045 1.00 0.00 N ATOM 854 CA ILE B1104 -3.484 17.623 3.528 1.00 0.00 C ATOM 855 C ILE B1104 -3.131 16.790 2.299 1.00 0.00 C ATOM 856 O ILE B1104 -3.783 15.788 2.008 1.00 0.00 O ATOM 857 CB ILE B1104 -4.554 18.656 3.165 1.00 0.00 C ATOM 858 CG1 ILE B1104 -4.015 19.608 2.090 1.00 0.00 C ATOM 859 CG2 ILE B1104 -4.932 19.461 4.408 1.00 0.00 C ATOM 860 CD1 ILE B1104 -5.137 20.535 1.619 1.00 0.00 C ATOM 0 H ILE B1104 -2.322 19.315 3.958 1.00 0.00 H new ATOM 0 HA ILE B1104 -3.870 16.957 4.300 1.00 0.00 H new ATOM 0 HB ILE B1104 -5.434 18.138 2.782 1.00 0.00 H new ATOM 0 HG12 ILE B1104 -3.188 20.195 2.490 1.00 0.00 H new ATOM 0 HG13 ILE B1104 -3.623 19.038 1.248 1.00 0.00 H new ATOM 0 HG21 ILE B1104 -5.694 20.196 4.148 1.00 0.00 H new ATOM 0 HG22 ILE B1104 -5.322 18.789 5.172 1.00 0.00 H new ATOM 0 HG23 ILE B1104 -4.050 19.973 4.792 1.00 0.00 H new ATOM 0 HD11 ILE B1104 -4.754 21.211 0.855 1.00 0.00 H new ATOM 0 HD12 ILE B1104 -5.950 19.940 1.202 1.00 0.00 H new ATOM 0 HD13 ILE B1104 -5.508 21.115 2.464 1.00 0.00 H new ATOM 872 N GLU B1105 -2.092 17.210 1.586 1.00 0.00 N ATOM 873 CA GLU B1105 -1.656 16.496 0.392 1.00 0.00 C ATOM 874 C GLU B1105 -1.179 15.096 0.754 1.00 0.00 C ATOM 875 O GLU B1105 -1.519 14.114 0.090 1.00 0.00 O ATOM 876 CB GLU B1105 -0.520 17.267 -0.284 1.00 0.00 C ATOM 877 CG GLU B1105 -1.068 18.555 -0.901 1.00 0.00 C ATOM 878 CD GLU B1105 0.078 19.412 -1.429 1.00 0.00 C ATOM 879 OE1 GLU B1105 1.216 19.102 -1.121 1.00 0.00 O ATOM 880 OE2 GLU B1105 -0.199 20.368 -2.136 1.00 0.00 O ATOM 0 H GLU B1105 -1.539 18.037 1.812 1.00 0.00 H new ATOM 0 HA GLU B1105 -2.499 16.413 -0.294 1.00 0.00 H new ATOM 0 HB2 GLU B1105 0.256 17.503 0.444 1.00 0.00 H new ATOM 0 HB3 GLU B1105 -0.058 16.651 -1.055 1.00 0.00 H new ATOM 0 HG2 GLU B1105 -1.756 18.315 -1.711 1.00 0.00 H new ATOM 0 HG3 GLU B1105 -1.635 19.112 -0.155 1.00 0.00 H new ATOM 887 N LEU B1106 -0.398 15.007 1.823 1.00 0.00 N ATOM 888 CA LEU B1106 0.111 13.724 2.273 1.00 0.00 C ATOM 889 C LEU B1106 -1.038 12.840 2.743 1.00 0.00 C ATOM 890 O LEU B1106 -1.068 11.640 2.473 1.00 0.00 O ATOM 891 CB LEU B1106 1.103 13.922 3.418 1.00 0.00 C ATOM 892 CG LEU B1106 1.664 12.568 3.846 1.00 0.00 C ATOM 893 CD1 LEU B1106 2.520 11.990 2.718 1.00 0.00 C ATOM 894 CD2 LEU B1106 2.521 12.747 5.100 1.00 0.00 C ATOM 0 H LEU B1106 -0.106 15.804 2.389 1.00 0.00 H new ATOM 0 HA LEU B1106 0.619 13.241 1.439 1.00 0.00 H new ATOM 0 HB2 LEU B1106 1.913 14.580 3.102 1.00 0.00 H new ATOM 0 HB3 LEU B1106 0.610 14.406 4.261 1.00 0.00 H new ATOM 0 HG LEU B1106 0.843 11.885 4.062 1.00 0.00 H new ATOM 0 HD11 LEU B1106 2.920 11.023 3.024 1.00 0.00 H new ATOM 0 HD12 LEU B1106 1.908 11.863 1.825 1.00 0.00 H new ATOM 0 HD13 LEU B1106 3.343 12.671 2.500 1.00 0.00 H new ATOM 0 HD21 LEU B1106 2.922 11.781 5.407 1.00 0.00 H new ATOM 0 HD22 LEU B1106 3.343 13.430 4.885 1.00 0.00 H new ATOM 0 HD23 LEU B1106 1.909 13.158 5.903 1.00 0.00 H new ATOM 906 N LEU B1107 -1.972 13.447 3.461 1.00 0.00 N ATOM 907 CA LEU B1107 -3.120 12.715 3.983 1.00 0.00 C ATOM 908 C LEU B1107 -3.923 12.117 2.840 1.00 0.00 C ATOM 909 O LEU B1107 -4.351 10.963 2.896 1.00 0.00 O ATOM 910 CB LEU B1107 -4.005 13.673 4.780 1.00 0.00 C ATOM 911 CG LEU B1107 -3.311 14.033 6.090 1.00 0.00 C ATOM 912 CD1 LEU B1107 -3.954 15.287 6.679 1.00 0.00 C ATOM 913 CD2 LEU B1107 -3.470 12.872 7.076 1.00 0.00 C ATOM 0 H LEU B1107 -1.959 14.440 3.695 1.00 0.00 H new ATOM 0 HA LEU B1107 -2.769 11.909 4.628 1.00 0.00 H new ATOM 0 HB2 LEU B1107 -4.199 14.575 4.199 1.00 0.00 H new ATOM 0 HB3 LEU B1107 -4.971 13.210 4.983 1.00 0.00 H new ATOM 0 HG LEU B1107 -2.253 14.220 5.906 1.00 0.00 H new ATOM 0 HD11 LEU B1107 -3.458 15.545 7.615 1.00 0.00 H new ATOM 0 HD12 LEU B1107 -3.852 16.113 5.975 1.00 0.00 H new ATOM 0 HD13 LEU B1107 -5.011 15.100 6.868 1.00 0.00 H new ATOM 0 HD21 LEU B1107 -2.976 13.122 8.015 1.00 0.00 H new ATOM 0 HD22 LEU B1107 -4.529 12.693 7.259 1.00 0.00 H new ATOM 0 HD23 LEU B1107 -3.018 11.974 6.656 1.00 0.00 H new ATOM 925 N ALA B1108 -4.101 12.908 1.795 1.00 0.00 N ATOM 926 CA ALA B1108 -4.829 12.459 0.624 1.00 0.00 C ATOM 927 C ALA B1108 -4.102 11.286 -0.023 1.00 0.00 C ATOM 928 O ALA B1108 -4.727 10.351 -0.523 1.00 0.00 O ATOM 929 CB ALA B1108 -4.958 13.606 -0.379 1.00 0.00 C ATOM 0 H ALA B1108 -3.751 13.864 1.735 1.00 0.00 H new ATOM 0 HA ALA B1108 -5.825 12.136 0.928 1.00 0.00 H new ATOM 0 HB1 ALA B1108 -5.506 13.262 -1.256 1.00 0.00 H new ATOM 0 HB2 ALA B1108 -5.495 14.434 0.083 1.00 0.00 H new ATOM 0 HB3 ALA B1108 -3.965 13.940 -0.679 1.00 0.00 H new ATOM 935 N ALA B1109 -2.773 11.353 -0.017 1.00 0.00 N ATOM 936 CA ALA B1109 -1.962 10.302 -0.617 1.00 0.00 C ATOM 937 C ALA B1109 -2.155 8.983 0.117 1.00 0.00 C ATOM 938 O ALA B1109 -2.258 7.923 -0.499 1.00 0.00 O ATOM 939 CB ALA B1109 -0.486 10.706 -0.578 1.00 0.00 C ATOM 0 H ALA B1109 -2.240 12.119 0.394 1.00 0.00 H new ATOM 0 HA ALA B1109 -2.278 10.169 -1.652 1.00 0.00 H new ATOM 0 HB1 ALA B1109 0.119 9.918 -1.027 1.00 0.00 H new ATOM 0 HB2 ALA B1109 -0.348 11.632 -1.135 1.00 0.00 H new ATOM 0 HB3 ALA B1109 -0.177 10.855 0.457 1.00 0.00 H new ATOM 945 N CYS B1110 -2.194 9.058 1.441 1.00 0.00 N ATOM 946 CA CYS B1110 -2.364 7.866 2.260 1.00 0.00 C ATOM 947 C CYS B1110 -3.724 7.242 2.010 1.00 0.00 C ATOM 948 O CYS B1110 -3.851 6.024 1.891 1.00 0.00 O ATOM 949 CB CYS B1110 -2.222 8.249 3.726 1.00 0.00 C ATOM 950 SG CYS B1110 -0.505 8.716 4.009 1.00 0.00 S ATOM 0 H CYS B1110 -2.111 9.927 1.968 1.00 0.00 H new ATOM 0 HA CYS B1110 -1.601 7.133 1.998 1.00 0.00 H new ATOM 0 HB2 CYS B1110 -2.888 9.076 3.971 1.00 0.00 H new ATOM 0 HB3 CYS B1110 -2.502 7.414 4.368 1.00 0.00 H new ATOM 0 HG CYS B1110 -0.295 9.908 3.533 1.00 0.00 H new ATOM 956 N ARG B1111 -4.737 8.090 1.911 1.00 0.00 N ATOM 957 CA ARG B1111 -6.084 7.617 1.649 1.00 0.00 C ATOM 958 C ARG B1111 -6.143 6.909 0.308 1.00 0.00 C ATOM 959 O ARG B1111 -6.745 5.843 0.178 1.00 0.00 O ATOM 960 CB ARG B1111 -7.040 8.804 1.654 1.00 0.00 C ATOM 961 CG ARG B1111 -7.339 9.200 3.100 1.00 0.00 C ATOM 962 CD ARG B1111 -8.095 10.525 3.120 1.00 0.00 C ATOM 963 NE ARG B1111 -8.593 10.799 4.465 1.00 0.00 N ATOM 964 CZ ARG B1111 -7.782 11.197 5.446 1.00 0.00 C ATOM 965 NH1 ARG B1111 -6.498 11.335 5.237 1.00 0.00 N ATOM 966 NH2 ARG B1111 -8.272 11.451 6.629 1.00 0.00 N ATOM 0 H ARG B1111 -4.651 9.102 2.008 1.00 0.00 H new ATOM 0 HA ARG B1111 -6.375 6.909 2.425 1.00 0.00 H new ATOM 0 HB2 ARG B1111 -6.599 9.644 1.118 1.00 0.00 H new ATOM 0 HB3 ARG B1111 -7.964 8.545 1.136 1.00 0.00 H new ATOM 0 HG2 ARG B1111 -7.931 8.424 3.585 1.00 0.00 H new ATOM 0 HG3 ARG B1111 -6.410 9.291 3.663 1.00 0.00 H new ATOM 0 HD2 ARG B1111 -7.438 11.332 2.796 1.00 0.00 H new ATOM 0 HD3 ARG B1111 -8.927 10.489 2.416 1.00 0.00 H new ATOM 0 HE ARG B1111 -9.588 10.683 4.659 1.00 0.00 H new ATOM 0 HH11 ARG B1111 -6.107 11.138 4.316 1.00 0.00 H new ATOM 0 HH12 ARG B1111 -5.888 11.640 5.995 1.00 0.00 H new ATOM 0 HH21 ARG B1111 -9.272 11.345 6.800 1.00 0.00 H new ATOM 0 HH22 ARG B1111 -7.655 11.756 7.382 1.00 0.00 H new ATOM 980 N GLU B1112 -5.500 7.508 -0.681 1.00 0.00 N ATOM 981 CA GLU B1112 -5.467 6.930 -2.012 1.00 0.00 C ATOM 982 C GLU B1112 -4.731 5.597 -1.991 1.00 0.00 C ATOM 983 O GLU B1112 -5.162 4.632 -2.619 1.00 0.00 O ATOM 984 CB GLU B1112 -4.757 7.869 -2.975 1.00 0.00 C ATOM 985 CG GLU B1112 -4.812 7.280 -4.386 1.00 0.00 C ATOM 986 CD GLU B1112 -4.120 8.215 -5.371 1.00 0.00 C ATOM 987 OE1 GLU B1112 -3.604 9.229 -4.930 1.00 0.00 O ATOM 988 OE2 GLU B1112 -4.114 7.904 -6.550 1.00 0.00 O ATOM 0 H GLU B1112 -4.996 8.390 -0.587 1.00 0.00 H new ATOM 0 HA GLU B1112 -6.494 6.775 -2.342 1.00 0.00 H new ATOM 0 HB2 GLU B1112 -5.230 8.851 -2.959 1.00 0.00 H new ATOM 0 HB3 GLU B1112 -3.721 8.010 -2.667 1.00 0.00 H new ATOM 0 HG2 GLU B1112 -4.329 6.303 -4.400 1.00 0.00 H new ATOM 0 HG3 GLU B1112 -5.849 7.127 -4.685 1.00 0.00 H new ATOM 995 N GLU B1113 -3.610 5.553 -1.266 1.00 0.00 N ATOM 996 CA GLU B1113 -2.830 4.331 -1.186 1.00 0.00 C ATOM 997 C GLU B1113 -3.641 3.223 -0.536 1.00 0.00 C ATOM 998 O GLU B1113 -3.598 2.076 -0.972 1.00 0.00 O ATOM 999 CB GLU B1113 -1.552 4.571 -0.381 1.00 0.00 C ATOM 1000 CG GLU B1113 -0.745 3.272 -0.318 1.00 0.00 C ATOM 1001 CD GLU B1113 -0.363 2.833 -1.728 1.00 0.00 C ATOM 1002 OE1 GLU B1113 -0.325 3.681 -2.602 1.00 0.00 O ATOM 1003 OE2 GLU B1113 -0.122 1.652 -1.914 1.00 0.00 O ATOM 0 H GLU B1113 -3.233 6.339 -0.737 1.00 0.00 H new ATOM 0 HA GLU B1113 -2.565 4.028 -2.199 1.00 0.00 H new ATOM 0 HB2 GLU B1113 -0.959 5.359 -0.844 1.00 0.00 H new ATOM 0 HB3 GLU B1113 -1.800 4.908 0.625 1.00 0.00 H new ATOM 0 HG2 GLU B1113 0.153 3.419 0.283 1.00 0.00 H new ATOM 0 HG3 GLU B1113 -1.330 2.492 0.170 1.00 0.00 H new ATOM 1010 N PHE B1114 -4.371 3.571 0.513 1.00 0.00 N ATOM 1011 CA PHE B1114 -5.179 2.588 1.221 1.00 0.00 C ATOM 1012 C PHE B1114 -6.248 2.010 0.302 1.00 0.00 C ATOM 1013 O PHE B1114 -6.455 0.802 0.272 1.00 0.00 O ATOM 1014 CB PHE B1114 -5.855 3.238 2.429 1.00 0.00 C ATOM 1015 CG PHE B1114 -4.927 3.209 3.624 1.00 0.00 C ATOM 1016 CD1 PHE B1114 -3.540 3.321 3.449 1.00 0.00 C ATOM 1017 CD2 PHE B1114 -5.458 3.073 4.912 1.00 0.00 C ATOM 1018 CE1 PHE B1114 -2.689 3.295 4.566 1.00 0.00 C ATOM 1019 CE2 PHE B1114 -4.608 3.048 6.024 1.00 0.00 C ATOM 1020 CZ PHE B1114 -3.225 3.158 5.850 1.00 0.00 C ATOM 0 H PHE B1114 -4.421 4.517 0.891 1.00 0.00 H new ATOM 0 HA PHE B1114 -4.523 1.784 1.555 1.00 0.00 H new ATOM 0 HB2 PHE B1114 -6.125 4.267 2.194 1.00 0.00 H new ATOM 0 HB3 PHE B1114 -6.780 2.712 2.665 1.00 0.00 H new ATOM 0 HD1 PHE B1114 -3.127 3.427 2.457 1.00 0.00 H new ATOM 0 HD2 PHE B1114 -6.526 2.987 5.048 1.00 0.00 H new ATOM 0 HE1 PHE B1114 -1.621 3.381 4.433 1.00 0.00 H new ATOM 0 HE2 PHE B1114 -5.021 2.944 7.017 1.00 0.00 H new ATOM 0 HZ PHE B1114 -2.570 3.137 6.708 1.00 0.00 H new ATOM 1030 N HIS B1115 -6.923 2.871 -0.449 1.00 0.00 N ATOM 1031 CA HIS B1115 -7.963 2.421 -1.357 1.00 0.00 C ATOM 1032 C HIS B1115 -7.384 1.485 -2.414 1.00 0.00 C ATOM 1033 O HIS B1115 -7.939 0.421 -2.686 1.00 0.00 O ATOM 1034 CB HIS B1115 -8.615 3.626 -2.038 1.00 0.00 C ATOM 1035 CG HIS B1115 -9.783 3.151 -2.845 1.00 0.00 C ATOM 1036 ND1 HIS B1115 -10.391 3.934 -3.816 1.00 0.00 N ATOM 1037 CD2 HIS B1115 -10.468 1.971 -2.827 1.00 0.00 C ATOM 1038 CE1 HIS B1115 -11.401 3.214 -4.338 1.00 0.00 C ATOM 1039 NE2 HIS B1115 -11.493 2.006 -3.770 1.00 0.00 N ATOM 0 H HIS B1115 -6.768 3.879 -0.446 1.00 0.00 H new ATOM 0 HA HIS B1115 -8.714 1.878 -0.782 1.00 0.00 H new ATOM 0 HB2 HIS B1115 -8.942 4.350 -1.292 1.00 0.00 H new ATOM 0 HB3 HIS B1115 -7.894 4.133 -2.680 1.00 0.00 H new ATOM 0 HD2 HIS B1115 -10.249 1.135 -2.179 1.00 0.00 H new ATOM 0 HE1 HIS B1115 -12.057 3.568 -5.120 1.00 0.00 H new ATOM 0 HE2 HIS B1115 -12.167 1.270 -3.981 1.00 0.00 H new ATOM 1047 N ARG B1116 -6.270 1.895 -3.012 1.00 0.00 N ATOM 1048 CA ARG B1116 -5.627 1.088 -4.045 1.00 0.00 C ATOM 1049 C ARG B1116 -5.143 -0.239 -3.471 1.00 0.00 C ATOM 1050 O ARG B1116 -5.313 -1.292 -4.087 1.00 0.00 O ATOM 1051 CB ARG B1116 -4.439 1.861 -4.622 1.00 0.00 C ATOM 1052 CG ARG B1116 -4.943 3.059 -5.433 1.00 0.00 C ATOM 1053 CD ARG B1116 -5.498 2.587 -6.779 1.00 0.00 C ATOM 1054 NE ARG B1116 -4.437 1.965 -7.567 1.00 0.00 N ATOM 1055 CZ ARG B1116 -3.556 2.694 -8.254 1.00 0.00 C ATOM 1056 NH1 ARG B1116 -3.610 4.004 -8.241 1.00 0.00 N ATOM 1057 NH2 ARG B1116 -2.626 2.095 -8.948 1.00 0.00 N ATOM 0 H ARG B1116 -5.796 2.774 -2.802 1.00 0.00 H new ATOM 0 HA ARG B1116 -6.353 0.880 -4.831 1.00 0.00 H new ATOM 0 HB2 ARG B1116 -3.790 2.203 -3.816 1.00 0.00 H new ATOM 0 HB3 ARG B1116 -3.841 1.207 -5.256 1.00 0.00 H new ATOM 0 HG2 ARG B1116 -5.718 3.585 -4.876 1.00 0.00 H new ATOM 0 HG3 ARG B1116 -4.130 3.767 -5.594 1.00 0.00 H new ATOM 0 HD2 ARG B1116 -6.308 1.875 -6.618 1.00 0.00 H new ATOM 0 HD3 ARG B1116 -5.920 3.432 -7.324 1.00 0.00 H new ATOM 0 HE ARG B1116 -4.368 0.948 -7.593 1.00 0.00 H new ATOM 0 HH11 ARG B1116 -4.333 4.479 -7.700 1.00 0.00 H new ATOM 0 HH12 ARG B1116 -2.929 4.548 -8.771 1.00 0.00 H new ATOM 0 HH21 ARG B1116 -2.577 1.076 -8.962 1.00 0.00 H new ATOM 0 HH22 ARG B1116 -1.949 2.646 -9.476 1.00 0.00 H new ATOM 1071 N ARG B1117 -4.548 -0.187 -2.285 1.00 0.00 N ATOM 1072 CA ARG B1117 -4.060 -1.395 -1.636 1.00 0.00 C ATOM 1073 C ARG B1117 -5.210 -2.328 -1.276 1.00 0.00 C ATOM 1074 O ARG B1117 -5.113 -3.542 -1.453 1.00 0.00 O ATOM 1075 CB ARG B1117 -3.257 -1.036 -0.386 1.00 0.00 C ATOM 1076 CG ARG B1117 -1.881 -0.510 -0.798 1.00 0.00 C ATOM 1077 CD ARG B1117 -1.014 -0.353 0.449 1.00 0.00 C ATOM 1078 NE ARG B1117 0.367 -0.053 0.084 1.00 0.00 N ATOM 1079 CZ ARG B1117 1.349 -0.127 0.978 1.00 0.00 C ATOM 1080 NH1 ARG B1117 1.104 -0.448 2.224 1.00 0.00 N ATOM 1081 NH2 ARG B1117 2.571 0.101 0.600 1.00 0.00 N ATOM 0 H ARG B1117 -4.393 0.672 -1.758 1.00 0.00 H new ATOM 0 HA ARG B1117 -3.409 -1.917 -2.337 1.00 0.00 H new ATOM 0 HB2 ARG B1117 -3.787 -0.282 0.196 1.00 0.00 H new ATOM 0 HB3 ARG B1117 -3.147 -1.912 0.253 1.00 0.00 H new ATOM 0 HG2 ARG B1117 -1.410 -1.198 -1.500 1.00 0.00 H new ATOM 0 HG3 ARG B1117 -1.982 0.447 -1.309 1.00 0.00 H new ATOM 0 HD2 ARG B1117 -1.411 0.445 1.076 1.00 0.00 H new ATOM 0 HD3 ARG B1117 -1.048 -1.269 1.039 1.00 0.00 H new ATOM 0 HE ARG B1117 0.583 0.219 -0.875 1.00 0.00 H new ATOM 0 HH11 ARG B1117 0.149 -0.646 2.521 1.00 0.00 H new ATOM 0 HH12 ARG B1117 1.869 -0.500 2.897 1.00 0.00 H new ATOM 0 HH21 ARG B1117 2.769 0.334 -0.373 1.00 0.00 H new ATOM 0 HH22 ARG B1117 3.333 0.047 1.276 1.00 0.00 H new ATOM 1095 N LEU B1118 -6.303 -1.757 -0.782 1.00 0.00 N ATOM 1096 CA LEU B1118 -7.466 -2.555 -0.416 1.00 0.00 C ATOM 1097 C LEU B1118 -8.043 -3.247 -1.644 1.00 0.00 C ATOM 1098 O LEU B1118 -8.436 -4.412 -1.583 1.00 0.00 O ATOM 1099 CB LEU B1118 -8.526 -1.661 0.230 1.00 0.00 C ATOM 1100 CG LEU B1118 -8.064 -1.258 1.631 1.00 0.00 C ATOM 1101 CD1 LEU B1118 -8.935 -0.114 2.152 1.00 0.00 C ATOM 1102 CD2 LEU B1118 -8.199 -2.460 2.566 1.00 0.00 C ATOM 0 H LEU B1118 -6.408 -0.754 -0.627 1.00 0.00 H new ATOM 0 HA LEU B1118 -7.158 -3.318 0.299 1.00 0.00 H new ATOM 0 HB2 LEU B1118 -8.690 -0.773 -0.380 1.00 0.00 H new ATOM 0 HB3 LEU B1118 -9.478 -2.189 0.287 1.00 0.00 H new ATOM 0 HG LEU B1118 -7.025 -0.931 1.592 1.00 0.00 H new ATOM 0 HD11 LEU B1118 -8.603 0.170 3.150 1.00 0.00 H new ATOM 0 HD12 LEU B1118 -8.849 0.742 1.483 1.00 0.00 H new ATOM 0 HD13 LEU B1118 -9.975 -0.438 2.194 1.00 0.00 H new ATOM 0 HD21 LEU B1118 -7.871 -2.181 3.567 1.00 0.00 H new ATOM 0 HD22 LEU B1118 -9.241 -2.779 2.601 1.00 0.00 H new ATOM 0 HD23 LEU B1118 -7.581 -3.279 2.197 1.00 0.00 H new ATOM 1114 N LYS B1119 -8.087 -2.522 -2.759 1.00 0.00 N ATOM 1115 CA LYS B1119 -8.614 -3.077 -4.000 1.00 0.00 C ATOM 1116 C LYS B1119 -7.753 -4.241 -4.474 1.00 0.00 C ATOM 1117 O LYS B1119 -8.270 -5.264 -4.927 1.00 0.00 O ATOM 1118 CB LYS B1119 -8.633 -1.994 -5.079 1.00 0.00 C ATOM 1119 CG LYS B1119 -9.720 -0.957 -4.770 1.00 0.00 C ATOM 1120 CD LYS B1119 -11.112 -1.517 -5.097 1.00 0.00 C ATOM 1121 CE LYS B1119 -11.293 -1.602 -6.616 1.00 0.00 C ATOM 1122 NZ LYS B1119 -12.709 -1.949 -6.928 1.00 0.00 N ATOM 0 H LYS B1119 -7.766 -1.556 -2.828 1.00 0.00 H new ATOM 0 HA LYS B1119 -9.626 -3.437 -3.816 1.00 0.00 H new ATOM 0 HB2 LYS B1119 -7.660 -1.506 -5.132 1.00 0.00 H new ATOM 0 HB3 LYS B1119 -8.817 -2.445 -6.054 1.00 0.00 H new ATOM 0 HG2 LYS B1119 -9.673 -0.676 -3.718 1.00 0.00 H new ATOM 0 HG3 LYS B1119 -9.541 -0.051 -5.350 1.00 0.00 H new ATOM 0 HD2 LYS B1119 -11.231 -2.505 -4.652 1.00 0.00 H new ATOM 0 HD3 LYS B1119 -11.882 -0.878 -4.665 1.00 0.00 H new ATOM 0 HE2 LYS B1119 -11.030 -0.651 -7.078 1.00 0.00 H new ATOM 0 HE3 LYS B1119 -10.623 -2.354 -7.032 1.00 0.00 H new ATOM 0 HZ1 LYS B1119 -12.833 -2.007 -7.959 1.00 0.00 H new ATOM 0 HZ2 LYS B1119 -12.944 -2.867 -6.499 1.00 0.00 H new ATOM 0 HZ3 LYS B1119 -13.339 -1.216 -6.544 1.00 0.00 H new ATOM 1136 N VAL B1120 -6.437 -4.082 -4.368 1.00 0.00 N ATOM 1137 CA VAL B1120 -5.519 -5.127 -4.785 1.00 0.00 C ATOM 1138 C VAL B1120 -5.703 -6.356 -3.912 1.00 0.00 C ATOM 1139 O VAL B1120 -5.685 -7.482 -4.396 1.00 0.00 O ATOM 1140 CB VAL B1120 -4.075 -4.635 -4.693 1.00 0.00 C ATOM 1141 CG1 VAL B1120 -3.119 -5.800 -4.959 1.00 0.00 C ATOM 1142 CG2 VAL B1120 -3.850 -3.543 -5.741 1.00 0.00 C ATOM 0 H VAL B1120 -5.988 -3.244 -3.999 1.00 0.00 H new ATOM 0 HA VAL B1120 -5.734 -5.388 -5.821 1.00 0.00 H new ATOM 0 HB VAL B1120 -3.887 -4.234 -3.697 1.00 0.00 H new ATOM 0 HG11 VAL B1120 -2.089 -5.448 -4.893 1.00 0.00 H new ATOM 0 HG12 VAL B1120 -3.283 -6.582 -4.218 1.00 0.00 H new ATOM 0 HG13 VAL B1120 -3.302 -6.201 -5.956 1.00 0.00 H new ATOM 0 HG21 VAL B1120 -2.821 -3.187 -5.681 1.00 0.00 H new ATOM 0 HG22 VAL B1120 -4.036 -3.949 -6.735 1.00 0.00 H new ATOM 0 HG23 VAL B1120 -4.532 -2.714 -5.554 1.00 0.00 H new ATOM 1152 N TYR B1121 -5.877 -6.126 -2.617 1.00 0.00 N ATOM 1153 CA TYR B1121 -6.068 -7.223 -1.674 1.00 0.00 C ATOM 1154 C TYR B1121 -7.292 -8.041 -2.053 1.00 0.00 C ATOM 1155 O TYR B1121 -7.235 -9.270 -2.118 1.00 0.00 O ATOM 1156 CB TYR B1121 -6.234 -6.668 -0.260 1.00 0.00 C ATOM 1157 CG TYR B1121 -6.614 -7.789 0.678 1.00 0.00 C ATOM 1158 CD1 TYR B1121 -5.664 -8.745 1.049 1.00 0.00 C ATOM 1159 CD2 TYR B1121 -7.918 -7.863 1.184 1.00 0.00 C ATOM 1160 CE1 TYR B1121 -6.016 -9.777 1.924 1.00 0.00 C ATOM 1161 CE2 TYR B1121 -8.270 -8.896 2.058 1.00 0.00 C ATOM 1162 CZ TYR B1121 -7.319 -9.852 2.429 1.00 0.00 C ATOM 1163 OH TYR B1121 -7.666 -10.866 3.298 1.00 0.00 O ATOM 0 H TYR B1121 -5.890 -5.197 -2.197 1.00 0.00 H new ATOM 0 HA TYR B1121 -5.191 -7.869 -1.707 1.00 0.00 H new ATOM 0 HB2 TYR B1121 -5.306 -6.201 0.071 1.00 0.00 H new ATOM 0 HB3 TYR B1121 -7.001 -5.894 -0.249 1.00 0.00 H new ATOM 0 HD1 TYR B1121 -4.658 -8.686 0.660 1.00 0.00 H new ATOM 0 HD2 TYR B1121 -8.651 -7.123 0.899 1.00 0.00 H new ATOM 0 HE1 TYR B1121 -5.282 -10.516 2.210 1.00 0.00 H new ATOM 0 HE2 TYR B1121 -9.276 -8.956 2.446 1.00 0.00 H new ATOM 0 HH TYR B1121 -6.884 -11.430 3.471 1.00 0.00 H new ATOM 1173 N HIS B1122 -8.394 -7.354 -2.310 1.00 0.00 N ATOM 1174 CA HIS B1122 -9.626 -8.031 -2.689 1.00 0.00 C ATOM 1175 C HIS B1122 -9.417 -8.824 -3.974 1.00 0.00 C ATOM 1176 O HIS B1122 -9.793 -9.992 -4.070 1.00 0.00 O ATOM 1177 CB HIS B1122 -10.743 -7.008 -2.891 1.00 0.00 C ATOM 1178 CG HIS B1122 -11.984 -7.710 -3.363 1.00 0.00 C ATOM 1179 ND1 HIS B1122 -12.355 -7.742 -4.698 1.00 0.00 N ATOM 1180 CD2 HIS B1122 -12.946 -8.416 -2.691 1.00 0.00 C ATOM 1181 CE1 HIS B1122 -13.497 -8.446 -4.785 1.00 0.00 C ATOM 1182 NE2 HIS B1122 -13.903 -8.881 -3.589 1.00 0.00 N ATOM 0 H HIS B1122 -8.462 -6.337 -2.264 1.00 0.00 H new ATOM 0 HA HIS B1122 -9.908 -8.717 -1.890 1.00 0.00 H new ATOM 0 HB2 HIS B1122 -10.942 -6.482 -1.957 1.00 0.00 H new ATOM 0 HB3 HIS B1122 -10.437 -6.258 -3.620 1.00 0.00 H new ATOM 0 HD2 HIS B1122 -12.960 -8.586 -1.625 1.00 0.00 H new ATOM 0 HE1 HIS B1122 -14.022 -8.637 -5.709 1.00 0.00 H new ATOM 0 HE2 HIS B1122 -14.734 -9.434 -3.379 1.00 0.00 H new ATOM 1190 N ALA B1123 -8.812 -8.174 -4.959 1.00 0.00 N ATOM 1191 CA ALA B1123 -8.553 -8.820 -6.239 1.00 0.00 C ATOM 1192 C ALA B1123 -7.635 -10.030 -6.060 1.00 0.00 C ATOM 1193 O ALA B1123 -7.835 -11.064 -6.685 1.00 0.00 O ATOM 1194 CB ALA B1123 -7.908 -7.824 -7.204 1.00 0.00 C ATOM 0 H ALA B1123 -8.493 -7.207 -4.898 1.00 0.00 H new ATOM 0 HA ALA B1123 -9.503 -9.162 -6.649 1.00 0.00 H new ATOM 0 HB1 ALA B1123 -7.717 -8.314 -8.159 1.00 0.00 H new ATOM 0 HB2 ALA B1123 -8.579 -6.979 -7.357 1.00 0.00 H new ATOM 0 HB3 ALA B1123 -6.967 -7.468 -6.784 1.00 0.00 H new ATOM 1200 N TRP B1124 -6.630 -9.898 -5.202 1.00 0.00 N ATOM 1201 CA TRP B1124 -5.705 -10.982 -4.961 1.00 0.00 C ATOM 1202 C TRP B1124 -6.443 -12.203 -4.427 1.00 0.00 C ATOM 1203 O TRP B1124 -6.228 -13.321 -4.894 1.00 0.00 O ATOM 1204 CB TRP B1124 -4.649 -10.517 -3.969 1.00 0.00 C ATOM 1205 CG TRP B1124 -3.743 -11.650 -3.664 1.00 0.00 C ATOM 1206 CD1 TRP B1124 -2.747 -12.073 -4.463 1.00 0.00 C ATOM 1207 CD2 TRP B1124 -3.720 -12.494 -2.488 1.00 0.00 C ATOM 1208 NE1 TRP B1124 -2.116 -13.148 -3.858 1.00 0.00 N ATOM 1209 CE2 TRP B1124 -2.681 -13.442 -2.631 1.00 0.00 C ATOM 1210 CE3 TRP B1124 -4.499 -12.528 -1.325 1.00 0.00 C ATOM 1211 CZ2 TRP B1124 -2.426 -14.396 -1.647 1.00 0.00 C ATOM 1212 CZ3 TRP B1124 -4.244 -13.482 -0.331 1.00 0.00 C ATOM 1213 CH2 TRP B1124 -3.211 -14.415 -0.490 1.00 0.00 C ATOM 0 H TRP B1124 -6.441 -9.051 -4.666 1.00 0.00 H new ATOM 0 HA TRP B1124 -5.223 -11.266 -5.896 1.00 0.00 H new ATOM 0 HB2 TRP B1124 -4.083 -9.683 -4.385 1.00 0.00 H new ATOM 0 HB3 TRP B1124 -5.123 -10.157 -3.056 1.00 0.00 H new ATOM 0 HD1 TRP B1124 -2.483 -11.645 -5.419 1.00 0.00 H new ATOM 0 HE1 TRP B1124 -1.333 -13.658 -4.267 1.00 0.00 H new ATOM 0 HE3 TRP B1124 -5.300 -11.816 -1.194 1.00 0.00 H new ATOM 0 HZ2 TRP B1124 -1.630 -15.114 -1.777 1.00 0.00 H new ATOM 0 HZ3 TRP B1124 -4.848 -13.498 0.564 1.00 0.00 H new ATOM 0 HH2 TRP B1124 -3.021 -15.148 0.280 1.00 0.00 H new ATOM 1224 N LYS B1125 -7.325 -11.983 -3.461 1.00 0.00 N ATOM 1225 CA LYS B1125 -8.099 -13.079 -2.891 1.00 0.00 C ATOM 1226 C LYS B1125 -8.954 -13.742 -3.958 1.00 0.00 C ATOM 1227 O LYS B1125 -9.065 -14.961 -4.008 1.00 0.00 O ATOM 1228 CB LYS B1125 -9.002 -12.554 -1.772 1.00 0.00 C ATOM 1229 CG LYS B1125 -8.168 -12.217 -0.535 1.00 0.00 C ATOM 1230 CD LYS B1125 -7.693 -13.521 0.103 1.00 0.00 C ATOM 1231 CE LYS B1125 -7.113 -13.242 1.489 1.00 0.00 C ATOM 1232 NZ LYS B1125 -6.631 -14.518 2.087 1.00 0.00 N ATOM 0 H LYS B1125 -7.522 -11.066 -3.059 1.00 0.00 H new ATOM 0 HA LYS B1125 -7.404 -13.815 -2.486 1.00 0.00 H new ATOM 0 HB2 LYS B1125 -9.536 -11.667 -2.112 1.00 0.00 H new ATOM 0 HB3 LYS B1125 -9.754 -13.302 -1.520 1.00 0.00 H new ATOM 0 HG2 LYS B1125 -7.314 -11.598 -0.811 1.00 0.00 H new ATOM 0 HG3 LYS B1125 -8.761 -11.642 0.176 1.00 0.00 H new ATOM 0 HD2 LYS B1125 -8.525 -14.221 0.182 1.00 0.00 H new ATOM 0 HD3 LYS B1125 -6.939 -13.991 -0.528 1.00 0.00 H new ATOM 0 HE2 LYS B1125 -6.292 -12.529 1.415 1.00 0.00 H new ATOM 0 HE3 LYS B1125 -7.871 -12.791 2.129 1.00 0.00 H new ATOM 0 HZ1 LYS B1125 -6.220 -14.329 3.024 1.00 0.00 H new ATOM 0 HZ2 LYS B1125 -7.428 -15.178 2.186 1.00 0.00 H new ATOM 0 HZ3 LYS B1125 -5.907 -14.939 1.470 1.00 0.00 H new ATOM 1246 N SER B1126 -9.555 -12.938 -4.812 1.00 0.00 N ATOM 1247 CA SER B1126 -10.397 -13.480 -5.872 1.00 0.00 C ATOM 1248 C SER B1126 -9.556 -14.320 -6.831 1.00 0.00 C ATOM 1249 O SER B1126 -10.029 -15.300 -7.396 1.00 0.00 O ATOM 1250 CB SER B1126 -11.092 -12.354 -6.638 1.00 0.00 C ATOM 1251 OG SER B1126 -10.143 -11.668 -7.441 1.00 0.00 O ATOM 0 H SER B1126 -9.481 -11.921 -4.799 1.00 0.00 H new ATOM 0 HA SER B1126 -11.160 -14.112 -5.417 1.00 0.00 H new ATOM 0 HB2 SER B1126 -11.886 -12.762 -7.264 1.00 0.00 H new ATOM 0 HB3 SER B1126 -11.561 -11.661 -5.940 1.00 0.00 H new ATOM 0 HG SER B1126 -9.304 -11.571 -6.945 1.00 0.00 H new ATOM 1382 N GLU A 47 1.080 -17.781 0.170 1.00 0.00 N ATOM 1383 CA GLU A 47 -0.098 -16.993 -0.164 1.00 0.00 C ATOM 1384 C GLU A 47 -0.300 -15.877 0.854 1.00 0.00 C ATOM 1385 O GLU A 47 -0.594 -14.736 0.495 1.00 0.00 O ATOM 1386 CB GLU A 47 -1.329 -17.898 -0.168 1.00 0.00 C ATOM 1387 CG GLU A 47 -1.208 -18.910 -1.305 1.00 0.00 C ATOM 1388 CD GLU A 47 -1.326 -18.201 -2.650 1.00 0.00 C ATOM 1389 OE1 GLU A 47 -1.835 -17.094 -2.672 1.00 0.00 O ATOM 1390 OE2 GLU A 47 -0.903 -18.777 -3.640 1.00 0.00 O ATOM 0 HA GLU A 47 0.044 -16.551 -1.150 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.417 -18.416 0.787 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.233 -17.301 -0.292 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.251 -19.429 -1.241 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.987 -19.666 -1.214 1.00 0.00 H new ATOM 1397 N ASN A 48 -0.126 -16.211 2.126 1.00 0.00 N ATOM 1398 CA ASN A 48 -0.284 -15.225 3.183 1.00 0.00 C ATOM 1399 C ASN A 48 0.737 -14.112 3.014 1.00 0.00 C ATOM 1400 O ASN A 48 0.436 -12.941 3.234 1.00 0.00 O ATOM 1401 CB ASN A 48 -0.104 -15.877 4.555 1.00 0.00 C ATOM 1402 CG ASN A 48 -1.420 -16.488 5.029 1.00 0.00 C ATOM 1403 OD1 ASN A 48 -2.263 -16.969 4.156 1.00 0.00 O flip ATOM 1404 ND2 ASN A 48 -1.685 -16.529 6.230 1.00 0.00 N flip ATOM 0 H ASN A 48 0.122 -17.147 2.447 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.289 -14.809 3.117 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.664 -16.649 4.500 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.240 -15.135 5.275 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.025 -16.153 6.911 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.564 -16.939 6.545 1.00 0.00 H new ATOM 1411 N ASP A 49 1.948 -14.487 2.623 1.00 0.00 N ATOM 1412 CA ASP A 49 3.006 -13.503 2.430 1.00 0.00 C ATOM 1413 C ASP A 49 2.624 -12.517 1.334 1.00 0.00 C ATOM 1414 O ASP A 49 2.864 -11.314 1.458 1.00 0.00 O ATOM 1415 CB ASP A 49 4.314 -14.201 2.060 1.00 0.00 C ATOM 1416 CG ASP A 49 4.872 -14.935 3.274 1.00 0.00 C ATOM 1417 OD1 ASP A 49 4.385 -14.691 4.365 1.00 0.00 O ATOM 1418 OD2 ASP A 49 5.781 -15.730 3.095 1.00 0.00 O ATOM 0 H ASP A 49 2.220 -15.452 2.435 1.00 0.00 H new ATOM 0 HA ASP A 49 3.142 -12.958 3.364 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.143 -14.905 1.246 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.038 -13.469 1.702 1.00 0.00 H new ATOM 1423 N GLU A 50 2.029 -13.029 0.261 1.00 0.00 N ATOM 1424 CA GLU A 50 1.623 -12.171 -0.846 1.00 0.00 C ATOM 1425 C GLU A 50 0.569 -11.169 -0.389 1.00 0.00 C ATOM 1426 O GLU A 50 0.618 -9.991 -0.749 1.00 0.00 O ATOM 1427 CB GLU A 50 1.054 -13.021 -1.983 1.00 0.00 C ATOM 1428 CG GLU A 50 2.174 -13.840 -2.624 1.00 0.00 C ATOM 1429 CD GLU A 50 1.600 -14.737 -3.713 1.00 0.00 C ATOM 1430 OE1 GLU A 50 0.386 -14.787 -3.833 1.00 0.00 O ATOM 1431 OE2 GLU A 50 2.381 -15.360 -4.413 1.00 0.00 O ATOM 0 H GLU A 50 1.820 -14.019 0.135 1.00 0.00 H new ATOM 0 HA GLU A 50 2.500 -11.627 -1.198 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.278 -13.684 -1.601 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.586 -12.380 -2.730 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.927 -13.175 -3.047 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.673 -14.445 -1.867 1.00 0.00 H new ATOM 1438 N ALA A 51 -0.384 -11.640 0.408 1.00 0.00 N ATOM 1439 CA ALA A 51 -1.438 -10.764 0.905 1.00 0.00 C ATOM 1440 C ALA A 51 -0.848 -9.666 1.785 1.00 0.00 C ATOM 1441 O ALA A 51 -1.270 -8.512 1.717 1.00 0.00 O ATOM 1442 CB ALA A 51 -2.476 -11.566 1.690 1.00 0.00 C ATOM 0 H ALA A 51 -0.449 -12.609 0.720 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.930 -10.301 0.050 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.255 -10.896 2.053 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.920 -12.320 1.041 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.994 -12.055 2.537 1.00 0.00 H new ATOM 1448 N PHE A 52 0.135 -10.028 2.605 1.00 0.00 N ATOM 1449 CA PHE A 52 0.776 -9.053 3.480 1.00 0.00 C ATOM 1450 C PHE A 52 1.446 -7.957 2.662 1.00 0.00 C ATOM 1451 O PHE A 52 1.335 -6.778 2.986 1.00 0.00 O ATOM 1452 CB PHE A 52 1.825 -9.733 4.360 1.00 0.00 C ATOM 1453 CG PHE A 52 1.218 -10.129 5.685 1.00 0.00 C ATOM 1454 CD1 PHE A 52 0.871 -11.464 5.928 1.00 0.00 C ATOM 1455 CD2 PHE A 52 1.015 -9.161 6.677 1.00 0.00 C ATOM 1456 CE1 PHE A 52 0.323 -11.829 7.162 1.00 0.00 C ATOM 1457 CE2 PHE A 52 0.468 -9.529 7.907 1.00 0.00 C ATOM 1458 CZ PHE A 52 0.122 -10.862 8.152 1.00 0.00 C ATOM 0 H PHE A 52 0.501 -10.977 2.681 1.00 0.00 H new ATOM 0 HA PHE A 52 0.005 -8.611 4.111 1.00 0.00 H new ATOM 0 HB2 PHE A 52 2.218 -10.615 3.854 1.00 0.00 H new ATOM 0 HB3 PHE A 52 2.665 -9.058 4.524 1.00 0.00 H new ATOM 0 HD1 PHE A 52 1.026 -12.211 5.163 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.281 -8.131 6.490 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.055 -12.858 7.350 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.311 -8.783 8.672 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.300 -11.144 9.105 1.00 0.00 H new ATOM 1468 N ALA A 53 2.137 -8.353 1.596 1.00 0.00 N ATOM 1469 CA ALA A 53 2.815 -7.386 0.742 1.00 0.00 C ATOM 1470 C ALA A 53 1.803 -6.429 0.129 1.00 0.00 C ATOM 1471 O ALA A 53 2.049 -5.232 0.019 1.00 0.00 O ATOM 1472 CB ALA A 53 3.582 -8.103 -0.366 1.00 0.00 C ATOM 0 H ALA A 53 2.241 -9.326 1.306 1.00 0.00 H new ATOM 0 HA ALA A 53 3.520 -6.820 1.351 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.083 -7.368 -0.996 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.324 -8.768 0.076 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.887 -8.686 -0.971 1.00 0.00 H new ATOM 1478 N ILE A 54 0.662 -6.960 -0.267 1.00 0.00 N ATOM 1479 CA ILE A 54 -0.372 -6.132 -0.857 1.00 0.00 C ATOM 1480 C ILE A 54 -0.823 -5.058 0.129 1.00 0.00 C ATOM 1481 O ILE A 54 -1.057 -3.910 -0.251 1.00 0.00 O ATOM 1482 CB ILE A 54 -1.564 -7.000 -1.256 1.00 0.00 C ATOM 1483 CG1 ILE A 54 -1.172 -7.888 -2.440 1.00 0.00 C ATOM 1484 CG2 ILE A 54 -2.737 -6.108 -1.651 1.00 0.00 C ATOM 1485 CD1 ILE A 54 -2.260 -8.930 -2.688 1.00 0.00 C ATOM 0 H ILE A 54 0.429 -7.950 -0.192 1.00 0.00 H new ATOM 0 HA ILE A 54 0.034 -5.645 -1.743 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.856 -7.626 -0.413 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.030 -7.278 -3.332 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.222 -8.382 -2.237 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.587 -6.729 -1.935 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.015 -5.477 -0.807 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.449 -5.480 -2.494 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.976 -9.559 -3.532 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.381 -9.548 -1.799 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.201 -8.427 -2.911 1.00 0.00 H new ATOM 1497 N LEU A 55 -0.965 -5.444 1.391 1.00 0.00 N ATOM 1498 CA LEU A 55 -1.418 -4.513 2.421 1.00 0.00 C ATOM 1499 C LEU A 55 -0.252 -3.937 3.232 1.00 0.00 C ATOM 1500 O LEU A 55 -0.442 -3.478 4.355 1.00 0.00 O ATOM 1501 CB LEU A 55 -2.402 -5.227 3.352 1.00 0.00 C ATOM 1502 CG LEU A 55 -3.591 -5.748 2.532 1.00 0.00 C ATOM 1503 CD1 LEU A 55 -4.530 -6.552 3.433 1.00 0.00 C ATOM 1504 CD2 LEU A 55 -4.362 -4.569 1.932 1.00 0.00 C ATOM 0 H LEU A 55 -0.775 -6.388 1.726 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.910 -3.677 1.925 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.905 -6.054 3.859 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.751 -4.542 4.125 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.216 -6.386 1.732 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.372 -6.919 2.846 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.990 -7.397 3.860 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.899 -5.914 4.236 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.205 -4.943 1.351 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.730 -3.929 2.734 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.701 -3.994 1.283 1.00 0.00 H new ATOM 1516 N ASP A 56 0.952 -3.955 2.661 1.00 0.00 N ATOM 1517 CA ASP A 56 2.122 -3.410 3.353 1.00 0.00 C ATOM 1518 C ASP A 56 3.138 -2.870 2.360 1.00 0.00 C ATOM 1519 O ASP A 56 3.466 -1.686 2.367 1.00 0.00 O ATOM 1520 CB ASP A 56 2.773 -4.486 4.219 1.00 0.00 C ATOM 1521 CG ASP A 56 1.824 -4.891 5.335 1.00 0.00 C ATOM 1522 OD1 ASP A 56 1.393 -4.007 6.057 1.00 0.00 O ATOM 1523 OD2 ASP A 56 1.541 -6.071 5.451 1.00 0.00 O ATOM 0 H ASP A 56 1.143 -4.335 1.734 1.00 0.00 H new ATOM 0 HA ASP A 56 1.786 -2.590 3.988 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.024 -5.354 3.609 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.706 -4.112 4.640 1.00 0.00 H new ATOM 1528 N GLY A 57 3.627 -3.748 1.505 1.00 0.00 N ATOM 1529 CA GLY A 57 4.603 -3.352 0.497 1.00 0.00 C ATOM 1530 C GLY A 57 3.923 -2.718 -0.720 1.00 0.00 C ATOM 1531 O GLY A 57 4.594 -2.203 -1.616 1.00 0.00 O ATOM 0 H GLY A 57 3.369 -4.735 1.484 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.310 -2.644 0.931 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.177 -4.223 0.182 1.00 0.00 H new ATOM 1535 N GLY A 58 2.590 -2.768 -0.758 1.00 0.00 N ATOM 1536 CA GLY A 58 1.849 -2.206 -1.878 1.00 0.00 C ATOM 1537 C GLY A 58 2.030 -3.067 -3.124 1.00 0.00 C ATOM 1538 O GLY A 58 1.804 -2.608 -4.242 1.00 0.00 O ATOM 0 H GLY A 58 2.010 -3.188 -0.032 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.791 -2.140 -1.625 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.193 -1.191 -2.077 1.00 0.00 H new ATOM 1542 N ALA A 59 2.445 -4.317 -2.922 1.00 0.00 N ATOM 1543 CA ALA A 59 2.662 -5.232 -4.038 1.00 0.00 C ATOM 1544 C ALA A 59 1.332 -5.671 -4.644 1.00 0.00 C ATOM 1545 O ALA A 59 0.291 -5.581 -4.000 1.00 0.00 O ATOM 1546 CB ALA A 59 3.426 -6.463 -3.562 1.00 0.00 C ATOM 0 H ALA A 59 2.636 -4.716 -2.003 1.00 0.00 H new ATOM 0 HA ALA A 59 3.242 -4.709 -4.798 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.584 -7.140 -4.401 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.390 -6.158 -3.156 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.851 -6.972 -2.788 1.00 0.00 H new ATOM 1552 N PRO A 60 1.345 -6.137 -5.864 1.00 0.00 N ATOM 1553 CA PRO A 60 0.111 -6.600 -6.553 1.00 0.00 C ATOM 1554 C PRO A 60 -0.364 -7.959 -6.039 1.00 0.00 C ATOM 1555 O PRO A 60 -1.515 -8.341 -6.245 1.00 0.00 O ATOM 1556 CB PRO A 60 0.530 -6.672 -8.021 1.00 0.00 C ATOM 1557 CG PRO A 60 1.996 -6.944 -7.991 1.00 0.00 C ATOM 1558 CD PRO A 60 2.535 -6.279 -6.724 1.00 0.00 C ATOM 0 HA PRO A 60 -0.735 -5.934 -6.381 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -0.007 -7.462 -8.547 1.00 0.00 H new ATOM 0 HB3 PRO A 60 0.312 -5.738 -8.540 1.00 0.00 H new ATOM 0 HG2 PRO A 60 2.191 -8.016 -7.980 1.00 0.00 H new ATOM 0 HG3 PRO A 60 2.484 -6.541 -8.878 1.00 0.00 H new ATOM 0 HD2 PRO A 60 3.302 -6.890 -6.247 1.00 0.00 H new ATOM 0 HD3 PRO A 60 2.988 -5.312 -6.942 1.00 0.00 H new ATOM 1566 N GLY A 61 0.532 -8.684 -5.375 1.00 0.00 N ATOM 1567 CA GLY A 61 0.193 -9.999 -4.841 1.00 0.00 C ATOM 1568 C GLY A 61 1.182 -11.053 -5.325 1.00 0.00 C ATOM 1569 O GLY A 61 2.107 -11.352 -4.586 1.00 0.00 O ATOM 1570 OXT GLY A 61 1.003 -11.544 -6.427 1.00 0.00 O ATOM 0 H GLY A 61 1.491 -8.386 -5.195 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.195 -9.965 -3.752 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.816 -10.272 -5.149 1.00 0.00 H new