USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=18 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: B1057 GLN : amide:sc= -0.92 K(o=-1.5,f=-5.2!) USER MOD Set 1.2: B1060 LYS NZ :NH3+ 173:sc= -0.574 (180deg=-0.857) USER MOD Single : A 48 ASN : amide:sc= -0.313 X(o=-0.31,f=-0.014) USER MOD Single : B1053 MET CE :methyl -125:sc= -4.08! (180deg=-8.38!) USER MOD Single : B1054 THR OG1 : rot 180:sc= -1.06 USER MOD Single : B1058 MET CE :methyl 179:sc= -0.714 (180deg=-0.727) USER MOD Single : B1062 MET CE :methyl -110:sc= -3.17 (180deg=-11.5!) 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+ -158:sc= -0.11 (180deg=-0.721) USER MOD Single : B1090 LYS NZ :NH3+ 168:sc= -0.0103 (180deg=-0.29) USER MOD Single : B1091 TYR OH : rot 180:sc= -1.3 USER MOD Single : B1097 THR OG1 : rot -165:sc= 0.609 USER MOD Single : B1099 ASN : amide:sc= 1.22 K(o=1.2,f=-0.012) USER MOD Single : B1100 THR OG1 : rot -35:sc= 0.222 USER MOD Single : B1101 SER OG : rot 40:sc= -0.723 USER MOD Single : B1102 CYS SG : rot 54:sc= 0.497 USER MOD Single : B1110 CYS SG : rot 75:sc= 0.142 USER MOD Single : B1115 HIS : no HD1:sc= -0.139 X(o=-0.14,f=-0.029) USER MOD Single : B1119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B1121 TYR OH : rot -4:sc= -1.91 USER MOD Single : B1122 HIS : no HD1:sc= 0 X(o=0,f=-0.072) USER MOD Single : B1125 LYS NZ :NH3+ 176:sc= -0.0423 (180deg=-0.138) USER MOD Single : B1126 SER OG : rot -24:sc= 1.17 USER MOD ----------------------------------------------------------------- ATOM 61 N MET B1053 -0.505 -8.356 12.380 1.00 0.00 N ATOM 62 CA MET B1053 -1.920 -8.452 12.073 1.00 0.00 C ATOM 63 C MET B1053 -2.142 -9.217 10.779 1.00 0.00 C ATOM 64 O MET B1053 -1.365 -9.097 9.844 1.00 0.00 O ATOM 65 CB MET B1053 -2.507 -7.054 11.933 1.00 0.00 C ATOM 66 CG MET B1053 -3.275 -6.707 13.203 1.00 0.00 C ATOM 67 SD MET B1053 -3.678 -4.941 13.223 1.00 0.00 S ATOM 68 CE MET B1053 -4.488 -4.841 11.603 1.00 0.00 C ATOM 0 HA MET B1053 -2.412 -8.986 12.886 1.00 0.00 H new ATOM 0 HB2 MET B1053 -1.712 -6.328 11.764 1.00 0.00 H new ATOM 0 HB3 MET B1053 -3.169 -7.009 11.069 1.00 0.00 H new ATOM 0 HG2 MET B1053 -4.190 -7.297 13.257 1.00 0.00 H new ATOM 0 HG3 MET B1053 -2.679 -6.962 14.079 1.00 0.00 H new ATOM 0 HE1 MET B1053 -4.004 -4.072 11.001 1.00 0.00 H new ATOM 0 HE2 MET B1053 -4.408 -5.803 11.096 1.00 0.00 H new ATOM 0 HE3 MET B1053 -5.540 -4.588 11.737 1.00 0.00 H new ATOM 78 N THR B1054 -3.212 -9.997 10.731 1.00 0.00 N ATOM 79 CA THR B1054 -3.516 -10.773 9.539 1.00 0.00 C ATOM 80 C THR B1054 -3.912 -9.850 8.388 1.00 0.00 C ATOM 81 O THR B1054 -4.265 -8.689 8.608 1.00 0.00 O ATOM 82 CB THR B1054 -4.651 -11.754 9.838 1.00 0.00 C ATOM 83 OG1 THR B1054 -5.852 -11.033 10.053 1.00 0.00 O ATOM 84 CG2 THR B1054 -4.308 -12.561 11.090 1.00 0.00 C ATOM 0 H THR B1054 -3.878 -10.109 11.496 1.00 0.00 H new ATOM 0 HA THR B1054 -2.627 -11.330 9.245 1.00 0.00 H new ATOM 0 HB THR B1054 -4.780 -12.431 8.994 1.00 0.00 H new ATOM 0 HG1 THR B1054 -6.581 -11.660 10.243 1.00 0.00 H new ATOM 0 HG21 THR B1054 -5.116 -13.261 11.305 1.00 0.00 H new ATOM 0 HG22 THR B1054 -3.383 -13.114 10.924 1.00 0.00 H new ATOM 0 HG23 THR B1054 -4.180 -11.885 11.935 1.00 0.00 H new ATOM 92 N PRO B1055 -3.850 -10.331 7.171 1.00 0.00 N ATOM 93 CA PRO B1055 -4.206 -9.509 5.975 1.00 0.00 C ATOM 94 C PRO B1055 -5.600 -8.901 6.103 1.00 0.00 C ATOM 95 O PRO B1055 -5.814 -7.733 5.775 1.00 0.00 O ATOM 96 CB PRO B1055 -4.167 -10.518 4.825 1.00 0.00 C ATOM 97 CG PRO B1055 -3.235 -11.587 5.282 1.00 0.00 C ATOM 98 CD PRO B1055 -3.438 -11.696 6.792 1.00 0.00 C ATOM 0 HA PRO B1055 -3.530 -8.665 5.837 1.00 0.00 H new ATOM 0 HB2 PRO B1055 -5.159 -10.920 4.619 1.00 0.00 H new ATOM 0 HB3 PRO B1055 -3.814 -10.054 3.904 1.00 0.00 H new ATOM 0 HG2 PRO B1055 -3.453 -12.534 4.788 1.00 0.00 H new ATOM 0 HG3 PRO B1055 -2.202 -11.334 5.043 1.00 0.00 H new ATOM 0 HD2 PRO B1055 -4.201 -12.433 7.045 1.00 0.00 H new ATOM 0 HD3 PRO B1055 -2.523 -11.997 7.302 1.00 0.00 H new ATOM 106 N GLU B1056 -6.545 -9.702 6.586 1.00 0.00 N ATOM 107 CA GLU B1056 -7.916 -9.232 6.757 1.00 0.00 C ATOM 108 C GLU B1056 -7.992 -8.152 7.833 1.00 0.00 C ATOM 109 O GLU B1056 -8.721 -7.169 7.688 1.00 0.00 O ATOM 110 CB GLU B1056 -8.828 -10.401 7.144 1.00 0.00 C ATOM 111 CG GLU B1056 -8.971 -11.354 5.955 1.00 0.00 C ATOM 112 CD GLU B1056 -9.786 -12.577 6.366 1.00 0.00 C ATOM 113 OE1 GLU B1056 -10.057 -12.711 7.548 1.00 0.00 O ATOM 114 OE2 GLU B1056 -10.122 -13.361 5.495 1.00 0.00 O ATOM 0 H GLU B1056 -6.389 -10.671 6.864 1.00 0.00 H new ATOM 0 HA GLU B1056 -8.248 -8.807 5.810 1.00 0.00 H new ATOM 0 HB2 GLU B1056 -8.413 -10.932 8.001 1.00 0.00 H new ATOM 0 HB3 GLU B1056 -9.807 -10.028 7.444 1.00 0.00 H new ATOM 0 HG2 GLU B1056 -9.459 -10.843 5.125 1.00 0.00 H new ATOM 0 HG3 GLU B1056 -7.986 -11.663 5.605 1.00 0.00 H new ATOM 121 N GLN B1057 -7.238 -8.342 8.913 1.00 0.00 N ATOM 122 CA GLN B1057 -7.234 -7.374 10.006 1.00 0.00 C ATOM 123 C GLN B1057 -6.686 -6.038 9.534 1.00 0.00 C ATOM 124 O GLN B1057 -7.226 -4.979 9.862 1.00 0.00 O ATOM 125 CB GLN B1057 -6.372 -7.903 11.148 1.00 0.00 C ATOM 126 CG GLN B1057 -7.081 -9.083 11.806 1.00 0.00 C ATOM 127 CD GLN B1057 -8.251 -8.587 12.646 1.00 0.00 C ATOM 128 OE1 GLN B1057 -9.404 -8.886 12.345 1.00 0.00 O ATOM 129 NE2 GLN B1057 -8.015 -7.845 13.693 1.00 0.00 N ATOM 0 H GLN B1057 -6.629 -9.148 9.054 1.00 0.00 H new ATOM 0 HA GLN B1057 -8.258 -7.229 10.351 1.00 0.00 H new ATOM 0 HB2 GLN B1057 -5.398 -8.213 10.771 1.00 0.00 H new ATOM 0 HB3 GLN B1057 -6.194 -7.116 11.880 1.00 0.00 H new ATOM 0 HG2 GLN B1057 -7.438 -9.774 11.043 1.00 0.00 H new ATOM 0 HG3 GLN B1057 -6.381 -9.635 12.433 1.00 0.00 H new ATOM 0 HE21 GLN B1057 -7.056 -7.600 13.939 1.00 0.00 H new ATOM 0 HE22 GLN B1057 -8.790 -7.510 14.266 1.00 0.00 H new ATOM 138 N MET B1058 -5.617 -6.091 8.749 1.00 0.00 N ATOM 139 CA MET B1058 -5.025 -4.868 8.244 1.00 0.00 C ATOM 140 C MET B1058 -6.005 -4.153 7.323 1.00 0.00 C ATOM 141 O MET B1058 -6.128 -2.930 7.359 1.00 0.00 O ATOM 142 CB MET B1058 -3.721 -5.158 7.491 1.00 0.00 C ATOM 143 CG MET B1058 -2.646 -5.611 8.483 1.00 0.00 C ATOM 144 SD MET B1058 -1.026 -5.626 7.670 1.00 0.00 S ATOM 145 CE MET B1058 -1.302 -7.033 6.568 1.00 0.00 C ATOM 0 H MET B1058 -5.153 -6.951 8.455 1.00 0.00 H new ATOM 0 HA MET B1058 -4.796 -4.227 9.095 1.00 0.00 H new ATOM 0 HB2 MET B1058 -3.887 -5.931 6.740 1.00 0.00 H new ATOM 0 HB3 MET B1058 -3.389 -4.265 6.961 1.00 0.00 H new ATOM 0 HG2 MET B1058 -2.626 -4.941 9.342 1.00 0.00 H new ATOM 0 HG3 MET B1058 -2.883 -6.606 8.860 1.00 0.00 H new ATOM 0 HE1 MET B1058 -0.413 -7.198 5.959 1.00 0.00 H new ATOM 0 HE2 MET B1058 -1.506 -7.925 7.161 1.00 0.00 H new ATOM 0 HE3 MET B1058 -2.153 -6.826 5.919 1.00 0.00 H new ATOM 155 N ALA B1059 -6.706 -4.925 6.499 1.00 0.00 N ATOM 156 CA ALA B1059 -7.669 -4.341 5.571 1.00 0.00 C ATOM 157 C ALA B1059 -8.787 -3.626 6.318 1.00 0.00 C ATOM 158 O ALA B1059 -9.217 -2.542 5.917 1.00 0.00 O ATOM 159 CB ALA B1059 -8.273 -5.425 4.683 1.00 0.00 C ATOM 0 H ALA B1059 -6.628 -5.941 6.454 1.00 0.00 H new ATOM 0 HA ALA B1059 -7.137 -3.616 4.955 1.00 0.00 H new ATOM 0 HB1 ALA B1059 -8.990 -4.975 3.996 1.00 0.00 H new ATOM 0 HB2 ALA B1059 -7.481 -5.912 4.114 1.00 0.00 H new ATOM 0 HB3 ALA B1059 -8.780 -6.163 5.304 1.00 0.00 H new ATOM 165 N LYS B1060 -9.264 -4.238 7.396 1.00 0.00 N ATOM 166 CA LYS B1060 -10.336 -3.640 8.174 1.00 0.00 C ATOM 167 C LYS B1060 -9.895 -2.309 8.756 1.00 0.00 C ATOM 168 O LYS B1060 -10.655 -1.340 8.758 1.00 0.00 O ATOM 169 CB LYS B1060 -10.761 -4.580 9.304 1.00 0.00 C ATOM 170 CG LYS B1060 -11.522 -5.773 8.720 1.00 0.00 C ATOM 171 CD LYS B1060 -12.127 -6.604 9.858 1.00 0.00 C ATOM 172 CE LYS B1060 -11.031 -7.388 10.585 1.00 0.00 C ATOM 173 NZ LYS B1060 -10.526 -8.481 9.703 1.00 0.00 N ATOM 0 H LYS B1060 -8.929 -5.136 7.746 1.00 0.00 H new ATOM 0 HA LYS B1060 -11.184 -3.471 7.511 1.00 0.00 H new ATOM 0 HB2 LYS B1060 -9.884 -4.927 9.851 1.00 0.00 H new ATOM 0 HB3 LYS B1060 -11.391 -4.047 10.016 1.00 0.00 H new ATOM 0 HG2 LYS B1060 -12.310 -5.423 8.053 1.00 0.00 H new ATOM 0 HG3 LYS B1060 -10.850 -6.390 8.124 1.00 0.00 H new ATOM 0 HD2 LYS B1060 -12.642 -5.950 10.561 1.00 0.00 H new ATOM 0 HD3 LYS B1060 -12.872 -7.292 9.458 1.00 0.00 H new ATOM 0 HE2 LYS B1060 -10.213 -6.721 10.858 1.00 0.00 H new ATOM 0 HE3 LYS B1060 -11.424 -7.807 11.511 1.00 0.00 H new ATOM 0 HZ1 LYS B1060 -9.704 -8.936 10.149 1.00 0.00 H new ATOM 0 HZ2 LYS B1060 -11.277 -9.187 9.560 1.00 0.00 H new ATOM 0 HZ3 LYS B1060 -10.245 -8.084 8.784 1.00 0.00 H new ATOM 187 N GLU B1061 -8.664 -2.259 9.242 1.00 0.00 N ATOM 188 CA GLU B1061 -8.150 -1.023 9.814 1.00 0.00 C ATOM 189 C GLU B1061 -8.072 0.071 8.754 1.00 0.00 C ATOM 190 O GLU B1061 -8.389 1.229 9.024 1.00 0.00 O ATOM 191 CB GLU B1061 -6.763 -1.253 10.419 1.00 0.00 C ATOM 192 CG GLU B1061 -6.877 -2.116 11.683 1.00 0.00 C ATOM 193 CD GLU B1061 -7.727 -1.413 12.738 1.00 0.00 C ATOM 194 OE1 GLU B1061 -7.463 -0.252 13.008 1.00 0.00 O ATOM 195 OE2 GLU B1061 -8.627 -2.046 13.264 1.00 0.00 O ATOM 0 H GLU B1061 -8.012 -3.044 9.253 1.00 0.00 H new ATOM 0 HA GLU B1061 -8.835 -0.703 10.599 1.00 0.00 H new ATOM 0 HB2 GLU B1061 -6.117 -1.744 9.691 1.00 0.00 H new ATOM 0 HB3 GLU B1061 -6.300 -0.297 10.662 1.00 0.00 H new ATOM 0 HG2 GLU B1061 -7.321 -3.080 11.433 1.00 0.00 H new ATOM 0 HG3 GLU B1061 -5.883 -2.317 12.083 1.00 0.00 H new ATOM 202 N MET B1062 -7.646 -0.294 7.546 1.00 0.00 N ATOM 203 CA MET B1062 -7.534 0.685 6.472 1.00 0.00 C ATOM 204 C MET B1062 -8.898 1.279 6.144 1.00 0.00 C ATOM 205 O MET B1062 -9.031 2.488 5.948 1.00 0.00 O ATOM 206 CB MET B1062 -6.968 0.005 5.232 1.00 0.00 C ATOM 207 CG MET B1062 -5.526 -0.409 5.505 1.00 0.00 C ATOM 208 SD MET B1062 -4.953 -1.484 4.168 1.00 0.00 S ATOM 209 CE MET B1062 -3.771 -2.448 5.140 1.00 0.00 C ATOM 0 H MET B1062 -7.377 -1.244 7.291 1.00 0.00 H new ATOM 0 HA MET B1062 -6.872 1.488 6.795 1.00 0.00 H new ATOM 0 HB2 MET B1062 -7.568 -0.868 4.975 1.00 0.00 H new ATOM 0 HB3 MET B1062 -7.010 0.683 4.379 1.00 0.00 H new ATOM 0 HG2 MET B1062 -4.889 0.473 5.577 1.00 0.00 H new ATOM 0 HG3 MET B1062 -5.459 -0.929 6.460 1.00 0.00 H new ATOM 0 HE1 MET B1062 -2.756 -2.193 4.836 1.00 0.00 H new ATOM 0 HE2 MET B1062 -3.900 -2.222 6.198 1.00 0.00 H new ATOM 0 HE3 MET B1062 -3.943 -3.511 4.972 1.00 0.00 H new ATOM 219 N SER B1063 -9.914 0.421 6.091 1.00 0.00 N ATOM 220 CA SER B1063 -11.267 0.876 5.789 1.00 0.00 C ATOM 221 C SER B1063 -11.769 1.828 6.869 1.00 0.00 C ATOM 222 O SER B1063 -12.387 2.851 6.576 1.00 0.00 O ATOM 223 CB SER B1063 -12.213 -0.317 5.670 1.00 0.00 C ATOM 224 OG SER B1063 -13.526 0.152 5.389 1.00 0.00 O ATOM 0 H SER B1063 -9.827 -0.583 6.251 1.00 0.00 H new ATOM 0 HA SER B1063 -11.243 1.408 4.838 1.00 0.00 H new ATOM 0 HB2 SER B1063 -11.876 -0.986 4.878 1.00 0.00 H new ATOM 0 HB3 SER B1063 -12.210 -0.892 6.596 1.00 0.00 H new ATOM 0 HG SER B1063 -14.136 -0.611 5.310 1.00 0.00 H new ATOM 230 N GLU B1064 -11.503 1.478 8.122 1.00 0.00 N ATOM 231 CA GLU B1064 -11.937 2.300 9.241 1.00 0.00 C ATOM 232 C GLU B1064 -11.308 3.686 9.168 1.00 0.00 C ATOM 233 O GLU B1064 -11.970 4.689 9.423 1.00 0.00 O ATOM 234 CB GLU B1064 -11.528 1.633 10.551 1.00 0.00 C ATOM 235 CG GLU B1064 -12.378 0.381 10.781 1.00 0.00 C ATOM 236 CD GLU B1064 -11.854 -0.390 11.990 1.00 0.00 C ATOM 237 OE1 GLU B1064 -10.779 -0.059 12.460 1.00 0.00 O ATOM 238 OE2 GLU B1064 -12.539 -1.302 12.428 1.00 0.00 O ATOM 0 H GLU B1064 -10.992 0.636 8.386 1.00 0.00 H new ATOM 0 HA GLU B1064 -13.021 2.403 9.195 1.00 0.00 H new ATOM 0 HB2 GLU B1064 -10.472 1.366 10.520 1.00 0.00 H new ATOM 0 HB3 GLU B1064 -11.657 2.329 11.380 1.00 0.00 H new ATOM 0 HG2 GLU B1064 -13.419 0.662 10.942 1.00 0.00 H new ATOM 0 HG3 GLU B1064 -12.353 -0.254 9.895 1.00 0.00 H new ATOM 559 N LEU B1086 3.586 6.657 -2.133 1.00 0.00 N ATOM 560 CA LEU B1086 3.604 6.057 -0.805 1.00 0.00 C ATOM 561 C LEU B1086 3.266 4.570 -0.876 1.00 0.00 C ATOM 562 O LEU B1086 3.129 3.907 0.150 1.00 0.00 O ATOM 563 CB LEU B1086 2.592 6.771 0.089 1.00 0.00 C ATOM 564 CG LEU B1086 2.956 8.254 0.159 1.00 0.00 C ATOM 565 CD1 LEU B1086 1.832 9.025 0.849 1.00 0.00 C ATOM 566 CD2 LEU B1086 4.251 8.436 0.955 1.00 0.00 C ATOM 0 HA LEU B1086 4.606 6.163 -0.389 1.00 0.00 H new ATOM 0 HB2 LEU B1086 1.585 6.648 -0.309 1.00 0.00 H new ATOM 0 HB3 LEU B1086 2.596 6.334 1.088 1.00 0.00 H new ATOM 0 HG LEU B1086 3.096 8.633 -0.853 1.00 0.00 H new ATOM 0 HD11 LEU B1086 2.093 10.082 0.898 1.00 0.00 H new ATOM 0 HD12 LEU B1086 0.908 8.905 0.283 1.00 0.00 H new ATOM 0 HD13 LEU B1086 1.692 8.638 1.859 1.00 0.00 H new ATOM 0 HD21 LEU B1086 4.504 9.495 1.001 1.00 0.00 H new ATOM 0 HD22 LEU B1086 4.114 8.052 1.966 1.00 0.00 H new ATOM 0 HD23 LEU B1086 5.058 7.891 0.466 1.00 0.00 H new ATOM 578 N SER B1087 3.139 4.045 -2.093 1.00 0.00 N ATOM 579 CA SER B1087 2.824 2.636 -2.275 1.00 0.00 C ATOM 580 C SER B1087 3.980 1.767 -1.787 1.00 0.00 C ATOM 581 O SER B1087 3.823 0.561 -1.600 1.00 0.00 O ATOM 582 CB SER B1087 2.540 2.350 -3.752 1.00 0.00 C ATOM 583 OG SER B1087 3.716 2.586 -4.515 1.00 0.00 O ATOM 0 H SER B1087 3.249 4.572 -2.959 1.00 0.00 H new ATOM 0 HA SER B1087 1.936 2.397 -1.689 1.00 0.00 H new ATOM 0 HB2 SER B1087 2.213 1.318 -3.877 1.00 0.00 H new ATOM 0 HB3 SER B1087 1.729 2.986 -4.107 1.00 0.00 H new ATOM 0 HG SER B1087 3.535 2.401 -5.460 1.00 0.00 H new ATOM 589 N LYS B1088 5.141 2.382 -1.582 1.00 0.00 N ATOM 590 CA LYS B1088 6.306 1.639 -1.111 1.00 0.00 C ATOM 591 C LYS B1088 6.410 1.687 0.413 1.00 0.00 C ATOM 592 O LYS B1088 7.235 0.991 1.006 1.00 0.00 O ATOM 593 CB LYS B1088 7.583 2.217 -1.724 1.00 0.00 C ATOM 594 CG LYS B1088 7.527 2.071 -3.245 1.00 0.00 C ATOM 595 CD LYS B1088 8.888 2.424 -3.851 1.00 0.00 C ATOM 596 CE LYS B1088 9.197 3.902 -3.611 1.00 0.00 C ATOM 597 NZ LYS B1088 8.147 4.739 -4.253 1.00 0.00 N ATOM 0 H LYS B1088 5.300 3.378 -1.732 1.00 0.00 H new ATOM 0 HA LYS B1088 6.188 0.601 -1.421 1.00 0.00 H new ATOM 0 HB2 LYS B1088 7.687 3.267 -1.452 1.00 0.00 H new ATOM 0 HB3 LYS B1088 8.456 1.698 -1.330 1.00 0.00 H new ATOM 0 HG2 LYS B1088 7.254 1.050 -3.512 1.00 0.00 H new ATOM 0 HG3 LYS B1088 6.756 2.724 -3.654 1.00 0.00 H new ATOM 0 HD2 LYS B1088 9.666 1.804 -3.406 1.00 0.00 H new ATOM 0 HD3 LYS B1088 8.885 2.213 -4.920 1.00 0.00 H new ATOM 0 HE2 LYS B1088 9.237 4.107 -2.541 1.00 0.00 H new ATOM 0 HE3 LYS B1088 10.176 4.151 -4.020 1.00 0.00 H new ATOM 0 HZ1 LYS B1088 8.521 5.695 -4.423 1.00 0.00 H new ATOM 0 HZ2 LYS B1088 7.867 4.311 -5.158 1.00 0.00 H new ATOM 0 HZ3 LYS B1088 7.319 4.797 -3.627 1.00 0.00 H new ATOM 611 N TRP B1089 5.580 2.513 1.047 1.00 0.00 N ATOM 612 CA TRP B1089 5.603 2.638 2.499 1.00 0.00 C ATOM 613 C TRP B1089 4.811 1.517 3.155 1.00 0.00 C ATOM 614 O TRP B1089 3.714 1.182 2.719 1.00 0.00 O ATOM 615 CB TRP B1089 5.014 3.986 2.920 1.00 0.00 C ATOM 616 CG TRP B1089 6.001 5.071 2.642 1.00 0.00 C ATOM 617 CD1 TRP B1089 6.752 5.165 1.523 1.00 0.00 C ATOM 618 CD2 TRP B1089 6.362 6.212 3.475 1.00 0.00 C ATOM 619 NE1 TRP B1089 7.550 6.284 1.613 1.00 0.00 N ATOM 620 CE2 TRP B1089 7.346 6.966 2.794 1.00 0.00 C ATOM 621 CE3 TRP B1089 5.936 6.662 4.739 1.00 0.00 C ATOM 622 CZ2 TRP B1089 7.891 8.126 3.347 1.00 0.00 C ATOM 623 CZ3 TRP B1089 6.483 7.831 5.297 1.00 0.00 C ATOM 624 CH2 TRP B1089 7.457 8.560 4.600 1.00 0.00 C ATOM 0 H TRP B1089 4.889 3.101 0.581 1.00 0.00 H new ATOM 0 HA TRP B1089 6.641 2.572 2.825 1.00 0.00 H new ATOM 0 HB2 TRP B1089 4.088 4.175 2.378 1.00 0.00 H new ATOM 0 HB3 TRP B1089 4.765 3.970 3.981 1.00 0.00 H new ATOM 0 HD1 TRP B1089 6.730 4.475 0.693 1.00 0.00 H new ATOM 0 HE1 TRP B1089 8.212 6.573 0.893 1.00 0.00 H new ATOM 0 HE3 TRP B1089 5.186 6.107 5.283 1.00 0.00 H new ATOM 0 HZ2 TRP B1089 8.643 8.684 2.809 1.00 0.00 H new ATOM 0 HZ3 TRP B1089 6.151 8.169 6.268 1.00 0.00 H new ATOM 0 HH2 TRP B1089 7.872 9.458 5.033 1.00 0.00 H new ATOM 635 N LYS B1090 5.372 0.948 4.213 1.00 0.00 N ATOM 636 CA LYS B1090 4.700 -0.132 4.924 1.00 0.00 C ATOM 637 C LYS B1090 3.390 0.345 5.521 1.00 0.00 C ATOM 638 O LYS B1090 3.171 1.542 5.693 1.00 0.00 O ATOM 639 CB LYS B1090 5.598 -0.674 6.027 1.00 0.00 C ATOM 640 CG LYS B1090 6.700 -1.507 5.394 1.00 0.00 C ATOM 641 CD LYS B1090 7.683 -1.951 6.471 1.00 0.00 C ATOM 642 CE LYS B1090 8.691 -2.943 5.883 1.00 0.00 C ATOM 643 NZ LYS B1090 9.468 -2.290 4.791 1.00 0.00 N ATOM 0 H LYS B1090 6.280 1.212 4.595 1.00 0.00 H new ATOM 0 HA LYS B1090 4.487 -0.926 4.208 1.00 0.00 H new ATOM 0 HB2 LYS B1090 6.028 0.147 6.602 1.00 0.00 H new ATOM 0 HB3 LYS B1090 5.018 -1.281 6.722 1.00 0.00 H new ATOM 0 HG2 LYS B1090 6.272 -2.377 4.896 1.00 0.00 H new ATOM 0 HG3 LYS B1090 7.218 -0.925 4.631 1.00 0.00 H new ATOM 0 HD2 LYS B1090 8.207 -1.085 6.876 1.00 0.00 H new ATOM 0 HD3 LYS B1090 7.145 -2.414 7.298 1.00 0.00 H new ATOM 0 HE2 LYS B1090 9.367 -3.293 6.663 1.00 0.00 H new ATOM 0 HE3 LYS B1090 8.170 -3.819 5.497 1.00 0.00 H new ATOM 0 HZ1 LYS B1090 10.278 -2.889 4.535 1.00 0.00 H new ATOM 0 HZ2 LYS B1090 8.857 -2.161 3.959 1.00 0.00 H new ATOM 0 HZ3 LYS B1090 9.812 -1.364 5.115 1.00 0.00 H new ATOM 657 N TYR B1091 2.519 -0.604 5.835 1.00 0.00 N ATOM 658 CA TYR B1091 1.231 -0.266 6.416 1.00 0.00 C ATOM 659 C TYR B1091 1.439 0.519 7.697 1.00 0.00 C ATOM 660 O TYR B1091 0.824 1.565 7.905 1.00 0.00 O ATOM 661 CB TYR B1091 0.430 -1.536 6.714 1.00 0.00 C ATOM 662 CG TYR B1091 -0.803 -1.181 7.514 1.00 0.00 C ATOM 663 CD1 TYR B1091 -1.869 -0.503 6.907 1.00 0.00 C ATOM 664 CD2 TYR B1091 -0.883 -1.536 8.867 1.00 0.00 C ATOM 665 CE1 TYR B1091 -3.010 -0.179 7.654 1.00 0.00 C ATOM 666 CE2 TYR B1091 -2.024 -1.213 9.612 1.00 0.00 C ATOM 667 CZ TYR B1091 -3.086 -0.534 9.007 1.00 0.00 C ATOM 668 OH TYR B1091 -4.210 -0.216 9.742 1.00 0.00 O ATOM 0 H TYR B1091 2.679 -1.602 5.699 1.00 0.00 H new ATOM 0 HA TYR B1091 0.673 0.341 5.703 1.00 0.00 H new ATOM 0 HB2 TYR B1091 0.144 -2.024 5.783 1.00 0.00 H new ATOM 0 HB3 TYR B1091 1.045 -2.244 7.269 1.00 0.00 H new ATOM 0 HD1 TYR B1091 -1.811 -0.230 5.864 1.00 0.00 H new ATOM 0 HD2 TYR B1091 -0.063 -2.060 9.336 1.00 0.00 H new ATOM 0 HE1 TYR B1091 -3.831 0.344 7.186 1.00 0.00 H new ATOM 0 HE2 TYR B1091 -2.084 -1.489 10.655 1.00 0.00 H new ATOM 0 HH TYR B1091 -4.100 -0.535 10.662 1.00 0.00 H new ATOM 678 N ALA B1092 2.319 0.015 8.552 1.00 0.00 N ATOM 679 CA ALA B1092 2.597 0.692 9.813 1.00 0.00 C ATOM 680 C ALA B1092 3.184 2.079 9.564 1.00 0.00 C ATOM 681 O ALA B1092 2.857 3.035 10.268 1.00 0.00 O ATOM 682 CB ALA B1092 3.573 -0.135 10.651 1.00 0.00 C ATOM 0 H ALA B1092 2.845 -0.846 8.400 1.00 0.00 H new ATOM 0 HA ALA B1092 1.658 0.801 10.355 1.00 0.00 H new ATOM 0 HB1 ALA B1092 3.773 0.380 11.590 1.00 0.00 H new ATOM 0 HB2 ALA B1092 3.137 -1.112 10.859 1.00 0.00 H new ATOM 0 HB3 ALA B1092 4.506 -0.264 10.102 1.00 0.00 H new ATOM 688 N GLU B1093 4.060 2.177 8.569 1.00 0.00 N ATOM 689 CA GLU B1093 4.701 3.449 8.242 1.00 0.00 C ATOM 690 C GLU B1093 3.666 4.474 7.785 1.00 0.00 C ATOM 691 O GLU B1093 3.708 5.633 8.194 1.00 0.00 O ATOM 692 CB GLU B1093 5.737 3.235 7.132 1.00 0.00 C ATOM 693 CG GLU B1093 6.934 2.441 7.674 1.00 0.00 C ATOM 694 CD GLU B1093 7.624 3.209 8.797 1.00 0.00 C ATOM 695 OE1 GLU B1093 7.899 4.381 8.605 1.00 0.00 O ATOM 696 OE2 GLU B1093 7.870 2.609 9.831 1.00 0.00 O ATOM 0 H GLU B1093 4.342 1.396 7.977 1.00 0.00 H new ATOM 0 HA GLU B1093 5.195 3.828 9.137 1.00 0.00 H new ATOM 0 HB2 GLU B1093 5.283 2.700 6.298 1.00 0.00 H new ATOM 0 HB3 GLU B1093 6.073 4.198 6.747 1.00 0.00 H new ATOM 0 HG2 GLU B1093 6.598 1.472 8.042 1.00 0.00 H new ATOM 0 HG3 GLU B1093 7.643 2.248 6.869 1.00 0.00 H new ATOM 703 N LEU B1094 2.732 4.040 6.949 1.00 0.00 N ATOM 704 CA LEU B1094 1.692 4.937 6.468 1.00 0.00 C ATOM 705 C LEU B1094 0.803 5.385 7.612 1.00 0.00 C ATOM 706 O LEU B1094 0.395 6.545 7.676 1.00 0.00 O ATOM 707 CB LEU B1094 0.853 4.249 5.396 1.00 0.00 C ATOM 708 CG LEU B1094 1.676 4.136 4.116 1.00 0.00 C ATOM 709 CD1 LEU B1094 1.008 3.156 3.152 1.00 0.00 C ATOM 710 CD2 LEU B1094 1.747 5.510 3.448 1.00 0.00 C ATOM 0 H LEU B1094 2.673 3.085 6.594 1.00 0.00 H new ATOM 0 HA LEU B1094 2.171 5.814 6.034 1.00 0.00 H new ATOM 0 HB2 LEU B1094 0.547 3.259 5.735 1.00 0.00 H new ATOM 0 HB3 LEU B1094 -0.058 4.817 5.209 1.00 0.00 H new ATOM 0 HG LEU B1094 2.676 3.780 4.362 1.00 0.00 H new ATOM 0 HD11 LEU B1094 1.601 3.081 2.241 1.00 0.00 H new ATOM 0 HD12 LEU B1094 0.938 2.175 3.621 1.00 0.00 H new ATOM 0 HD13 LEU B1094 0.008 3.513 2.905 1.00 0.00 H new ATOM 0 HD21 LEU B1094 2.333 5.439 2.532 1.00 0.00 H new ATOM 0 HD22 LEU B1094 0.740 5.851 3.209 1.00 0.00 H new ATOM 0 HD23 LEU B1094 2.219 6.221 4.127 1.00 0.00 H new ATOM 722 N ARG B1095 0.505 4.466 8.513 1.00 0.00 N ATOM 723 CA ARG B1095 -0.337 4.789 9.645 1.00 0.00 C ATOM 724 C ARG B1095 0.309 5.891 10.469 1.00 0.00 C ATOM 725 O ARG B1095 -0.331 6.881 10.815 1.00 0.00 O ATOM 726 CB ARG B1095 -0.523 3.545 10.505 1.00 0.00 C ATOM 727 CG ARG B1095 -1.487 3.858 11.648 1.00 0.00 C ATOM 728 CD ARG B1095 -1.605 2.639 12.566 1.00 0.00 C ATOM 729 NE ARG B1095 -0.354 2.425 13.289 1.00 0.00 N ATOM 730 CZ ARG B1095 -0.129 1.317 13.998 1.00 0.00 C ATOM 731 NH1 ARG B1095 -1.028 0.369 14.071 1.00 0.00 N ATOM 732 NH2 ARG B1095 1.006 1.175 14.629 1.00 0.00 N ATOM 0 H ARG B1095 0.831 3.500 8.482 1.00 0.00 H new ATOM 0 HA ARG B1095 -1.308 5.134 9.289 1.00 0.00 H new ATOM 0 HB2 ARG B1095 -0.912 2.726 9.900 1.00 0.00 H new ATOM 0 HB3 ARG B1095 0.437 3.218 10.904 1.00 0.00 H new ATOM 0 HG2 ARG B1095 -1.130 4.719 12.213 1.00 0.00 H new ATOM 0 HG3 ARG B1095 -2.466 4.122 11.249 1.00 0.00 H new ATOM 0 HD2 ARG B1095 -2.421 2.786 13.273 1.00 0.00 H new ATOM 0 HD3 ARG B1095 -1.849 1.754 11.978 1.00 0.00 H new ATOM 0 HE ARG B1095 0.369 3.144 13.251 1.00 0.00 H new ATOM 0 HH11 ARG B1095 -1.917 0.470 13.581 1.00 0.00 H new ATOM 0 HH12 ARG B1095 -0.840 -0.471 14.617 1.00 0.00 H new ATOM 0 HH21 ARG B1095 1.713 1.908 14.578 1.00 0.00 H new ATOM 0 HH22 ARG B1095 1.185 0.331 15.173 1.00 0.00 H new ATOM 746 N ASP B1096 1.590 5.720 10.762 1.00 0.00 N ATOM 747 CA ASP B1096 2.318 6.715 11.533 1.00 0.00 C ATOM 748 C ASP B1096 2.411 8.017 10.752 1.00 0.00 C ATOM 749 O ASP B1096 2.292 9.102 11.318 1.00 0.00 O ATOM 750 CB ASP B1096 3.723 6.208 11.869 1.00 0.00 C ATOM 751 CG ASP B1096 4.398 7.163 12.848 1.00 0.00 C ATOM 752 OD1 ASP B1096 3.837 8.215 13.101 1.00 0.00 O ATOM 753 OD2 ASP B1096 5.466 6.826 13.333 1.00 0.00 O ATOM 0 H ASP B1096 2.142 4.910 10.480 1.00 0.00 H new ATOM 0 HA ASP B1096 1.778 6.895 12.463 1.00 0.00 H new ATOM 0 HB2 ASP B1096 3.665 5.210 12.303 1.00 0.00 H new ATOM 0 HB3 ASP B1096 4.317 6.126 10.959 1.00 0.00 H new ATOM 758 N THR B1097 2.629 7.909 9.442 1.00 0.00 N ATOM 759 CA THR B1097 2.742 9.099 8.616 1.00 0.00 C ATOM 760 C THR B1097 1.462 9.924 8.678 1.00 0.00 C ATOM 761 O THR B1097 1.506 11.140 8.818 1.00 0.00 O ATOM 762 CB THR B1097 3.019 8.701 7.171 1.00 0.00 C ATOM 763 OG1 THR B1097 4.228 7.959 7.117 1.00 0.00 O ATOM 764 CG2 THR B1097 3.148 9.964 6.320 1.00 0.00 C ATOM 0 H THR B1097 2.729 7.026 8.942 1.00 0.00 H new ATOM 0 HA THR B1097 3.566 9.703 8.996 1.00 0.00 H new ATOM 0 HB THR B1097 2.202 8.089 6.788 1.00 0.00 H new ATOM 0 HG1 THR B1097 4.540 7.909 6.189 1.00 0.00 H new ATOM 0 HG21 THR B1097 3.346 9.686 5.285 1.00 0.00 H new ATOM 0 HG22 THR B1097 2.220 10.534 6.372 1.00 0.00 H new ATOM 0 HG23 THR B1097 3.970 10.574 6.696 1.00 0.00 H new ATOM 772 N ILE B1098 0.320 9.262 8.563 1.00 0.00 N ATOM 773 CA ILE B1098 -0.957 9.963 8.600 1.00 0.00 C ATOM 774 C ILE B1098 -1.158 10.665 9.940 1.00 0.00 C ATOM 775 O ILE B1098 -1.543 11.833 9.989 1.00 0.00 O ATOM 776 CB ILE B1098 -2.091 8.966 8.372 1.00 0.00 C ATOM 777 CG1 ILE B1098 -2.004 8.438 6.944 1.00 0.00 C ATOM 778 CG2 ILE B1098 -3.435 9.666 8.572 1.00 0.00 C ATOM 779 CD1 ILE B1098 -2.956 7.253 6.779 1.00 0.00 C ATOM 0 H ILE B1098 0.250 8.251 8.444 1.00 0.00 H new ATOM 0 HA ILE B1098 -0.959 10.717 7.813 1.00 0.00 H new ATOM 0 HB ILE B1098 -2.005 8.141 9.080 1.00 0.00 H new ATOM 0 HG12 ILE B1098 -2.262 9.227 6.237 1.00 0.00 H new ATOM 0 HG13 ILE B1098 -0.982 8.131 6.720 1.00 0.00 H new ATOM 0 HG21 ILE B1098 -4.244 8.954 8.409 1.00 0.00 H new ATOM 0 HG22 ILE B1098 -3.494 10.056 9.588 1.00 0.00 H new ATOM 0 HG23 ILE B1098 -3.527 10.488 7.862 1.00 0.00 H new ATOM 0 HD11 ILE B1098 -2.894 6.876 5.758 1.00 0.00 H new ATOM 0 HD12 ILE B1098 -2.677 6.462 7.476 1.00 0.00 H new ATOM 0 HD13 ILE B1098 -3.977 7.575 6.985 1.00 0.00 H new ATOM 791 N ASN B1099 -0.892 9.944 11.026 1.00 0.00 N ATOM 792 CA ASN B1099 -1.057 10.499 12.365 1.00 0.00 C ATOM 793 C ASN B1099 -0.148 11.706 12.575 1.00 0.00 C ATOM 794 O ASN B1099 -0.547 12.688 13.201 1.00 0.00 O ATOM 795 CB ASN B1099 -0.735 9.422 13.405 1.00 0.00 C ATOM 796 CG ASN B1099 -1.944 8.514 13.591 1.00 0.00 C ATOM 797 OD1 ASN B1099 -2.673 8.644 14.575 1.00 0.00 O ATOM 798 ND2 ASN B1099 -2.234 7.630 12.674 1.00 0.00 N ATOM 0 H ASN B1099 -0.563 8.979 11.005 1.00 0.00 H new ATOM 0 HA ASN B1099 -2.090 10.828 12.479 1.00 0.00 H new ATOM 0 HB2 ASN B1099 0.126 8.837 13.083 1.00 0.00 H new ATOM 0 HB3 ASN B1099 -0.467 9.887 14.354 1.00 0.00 H new ATOM 0 HD21 ASN B1099 -3.065 7.047 12.773 1.00 0.00 H new ATOM 0 HD22 ASN B1099 -1.630 7.523 11.859 1.00 0.00 H new ATOM 805 N THR B1100 1.067 11.632 12.048 1.00 0.00 N ATOM 806 CA THR B1100 2.011 12.733 12.193 1.00 0.00 C ATOM 807 C THR B1100 1.904 13.716 11.024 1.00 0.00 C ATOM 808 O THR B1100 2.593 14.736 11.000 1.00 0.00 O ATOM 809 CB THR B1100 3.436 12.185 12.283 1.00 0.00 C ATOM 810 OG1 THR B1100 4.301 13.194 12.785 1.00 0.00 O ATOM 811 CG2 THR B1100 3.904 11.755 10.895 1.00 0.00 C ATOM 0 H THR B1100 1.419 10.832 11.523 1.00 0.00 H new ATOM 0 HA THR B1100 1.767 13.270 13.109 1.00 0.00 H new ATOM 0 HB THR B1100 3.454 11.326 12.954 1.00 0.00 H new ATOM 0 HG1 THR B1100 4.012 14.069 12.450 1.00 0.00 H new ATOM 0 HG21 THR B1100 4.920 11.364 10.958 1.00 0.00 H new ATOM 0 HG22 THR B1100 3.240 10.980 10.511 1.00 0.00 H new ATOM 0 HG23 THR B1100 3.887 12.613 10.223 1.00 0.00 H new ATOM 819 N SER B1101 1.047 13.409 10.051 1.00 0.00 N ATOM 820 CA SER B1101 0.881 14.275 8.895 1.00 0.00 C ATOM 821 C SER B1101 0.281 15.610 9.301 1.00 0.00 C ATOM 822 O SER B1101 -0.676 15.668 10.074 1.00 0.00 O ATOM 823 CB SER B1101 -0.028 13.606 7.867 1.00 0.00 C ATOM 824 OG SER B1101 -0.236 14.494 6.775 1.00 0.00 O ATOM 0 H SER B1101 0.463 12.573 10.044 1.00 0.00 H new ATOM 0 HA SER B1101 1.864 14.449 8.458 1.00 0.00 H new ATOM 0 HB2 SER B1101 0.423 12.678 7.515 1.00 0.00 H new ATOM 0 HB3 SER B1101 -0.982 13.344 8.324 1.00 0.00 H new ATOM 0 HG SER B1101 0.602 14.957 6.566 1.00 0.00 H new ATOM 830 N CYS B1102 0.839 16.678 8.756 1.00 0.00 N ATOM 831 CA CYS B1102 0.351 18.016 9.043 1.00 0.00 C ATOM 832 C CYS B1102 -0.194 18.665 7.771 1.00 0.00 C ATOM 833 O CYS B1102 -0.789 19.741 7.822 1.00 0.00 O ATOM 834 CB CYS B1102 1.482 18.872 9.614 1.00 0.00 C ATOM 835 SG CYS B1102 2.649 19.285 8.295 1.00 0.00 S ATOM 0 H CYS B1102 1.630 16.644 8.113 1.00 0.00 H new ATOM 0 HA CYS B1102 -0.452 17.945 9.776 1.00 0.00 H new ATOM 0 HB2 CYS B1102 1.077 19.783 10.054 1.00 0.00 H new ATOM 0 HB3 CYS B1102 1.994 18.333 10.411 1.00 0.00 H new ATOM 0 HG CYS B1102 2.008 19.831 7.304 1.00 0.00 H new ATOM 841 N ASP B1103 0.014 18.007 6.629 1.00 0.00 N ATOM 842 CA ASP B1103 -0.461 18.541 5.356 1.00 0.00 C ATOM 843 C ASP B1103 -1.625 17.709 4.825 1.00 0.00 C ATOM 844 O ASP B1103 -1.617 16.481 4.914 1.00 0.00 O ATOM 845 CB ASP B1103 0.677 18.546 4.334 1.00 0.00 C ATOM 846 CG ASP B1103 1.718 19.594 4.716 1.00 0.00 C ATOM 847 OD1 ASP B1103 1.396 20.457 5.514 1.00 0.00 O ATOM 848 OD2 ASP B1103 2.825 19.511 4.208 1.00 0.00 O ATOM 0 H ASP B1103 0.502 17.114 6.561 1.00 0.00 H new ATOM 0 HA ASP B1103 -0.806 19.562 5.518 1.00 0.00 H new ATOM 0 HB2 ASP B1103 1.141 17.561 4.289 1.00 0.00 H new ATOM 0 HB3 ASP B1103 0.283 18.758 3.340 1.00 0.00 H new ATOM 853 N ILE B1104 -2.625 18.386 4.272 1.00 0.00 N ATOM 854 CA ILE B1104 -3.788 17.699 3.731 1.00 0.00 C ATOM 855 C ILE B1104 -3.423 16.924 2.469 1.00 0.00 C ATOM 856 O ILE B1104 -4.049 15.916 2.146 1.00 0.00 O ATOM 857 CB ILE B1104 -4.884 18.720 3.417 1.00 0.00 C ATOM 858 CG1 ILE B1104 -4.378 19.722 2.373 1.00 0.00 C ATOM 859 CG2 ILE B1104 -5.268 19.469 4.695 1.00 0.00 C ATOM 860 CD1 ILE B1104 -5.517 20.665 1.978 1.00 0.00 C ATOM 0 H ILE B1104 -2.653 19.402 4.188 1.00 0.00 H new ATOM 0 HA ILE B1104 -4.151 16.989 4.474 1.00 0.00 H new ATOM 0 HB ILE B1104 -5.756 18.198 3.023 1.00 0.00 H new ATOM 0 HG12 ILE B1104 -3.542 20.293 2.777 1.00 0.00 H new ATOM 0 HG13 ILE B1104 -4.008 19.193 1.495 1.00 0.00 H new ATOM 0 HG21 ILE B1104 -6.049 20.196 4.470 1.00 0.00 H new ATOM 0 HG22 ILE B1104 -5.636 18.759 5.436 1.00 0.00 H new ATOM 0 HG23 ILE B1104 -4.394 19.986 5.090 1.00 0.00 H new ATOM 0 HD11 ILE B1104 -5.158 21.378 1.236 1.00 0.00 H new ATOM 0 HD12 ILE B1104 -6.339 20.086 1.557 1.00 0.00 H new ATOM 0 HD13 ILE B1104 -5.866 21.203 2.859 1.00 0.00 H new ATOM 872 N GLU B1105 -2.405 17.402 1.762 1.00 0.00 N ATOM 873 CA GLU B1105 -1.963 16.750 0.534 1.00 0.00 C ATOM 874 C GLU B1105 -1.438 15.350 0.833 1.00 0.00 C ATOM 875 O GLU B1105 -1.775 14.383 0.150 1.00 0.00 O ATOM 876 CB GLU B1105 -0.851 17.579 -0.120 1.00 0.00 C ATOM 877 CG GLU B1105 -1.430 18.887 -0.667 1.00 0.00 C ATOM 878 CD GLU B1105 -0.314 19.758 -1.236 1.00 0.00 C ATOM 879 OE1 GLU B1105 0.840 19.412 -1.041 1.00 0.00 O ATOM 880 OE2 GLU B1105 -0.629 20.761 -1.855 1.00 0.00 O ATOM 0 H GLU B1105 -1.873 18.234 2.016 1.00 0.00 H new ATOM 0 HA GLU B1105 -2.813 16.673 -0.144 1.00 0.00 H new ATOM 0 HB2 GLU B1105 -0.069 17.794 0.608 1.00 0.00 H new ATOM 0 HB3 GLU B1105 -0.388 17.011 -0.927 1.00 0.00 H new ATOM 0 HG2 GLU B1105 -2.165 18.672 -1.443 1.00 0.00 H new ATOM 0 HG3 GLU B1105 -1.951 19.423 0.126 1.00 0.00 H new ATOM 887 N LEU B1106 -0.622 15.248 1.873 1.00 0.00 N ATOM 888 CA LEU B1106 -0.067 13.963 2.260 1.00 0.00 C ATOM 889 C LEU B1106 -1.173 13.039 2.758 1.00 0.00 C ATOM 890 O LEU B1106 -1.178 11.843 2.477 1.00 0.00 O ATOM 891 CB LEU B1106 0.975 14.151 3.360 1.00 0.00 C ATOM 892 CG LEU B1106 1.599 12.798 3.701 1.00 0.00 C ATOM 893 CD1 LEU B1106 2.416 12.299 2.509 1.00 0.00 C ATOM 894 CD2 LEU B1106 2.509 12.950 4.922 1.00 0.00 C ATOM 0 H LEU B1106 -0.333 16.032 2.457 1.00 0.00 H new ATOM 0 HA LEU B1106 0.408 13.514 1.388 1.00 0.00 H new ATOM 0 HB2 LEU B1106 1.746 14.848 3.031 1.00 0.00 H new ATOM 0 HB3 LEU B1106 0.511 14.584 4.246 1.00 0.00 H new ATOM 0 HG LEU B1106 0.811 12.079 3.925 1.00 0.00 H new ATOM 0 HD11 LEU B1106 2.861 11.334 2.751 1.00 0.00 H new ATOM 0 HD12 LEU B1106 1.765 12.190 1.642 1.00 0.00 H new ATOM 0 HD13 LEU B1106 3.205 13.016 2.283 1.00 0.00 H new ATOM 0 HD21 LEU B1106 2.955 11.986 5.166 1.00 0.00 H new ATOM 0 HD22 LEU B1106 3.298 13.669 4.700 1.00 0.00 H new ATOM 0 HD23 LEU B1106 1.923 13.304 5.770 1.00 0.00 H new ATOM 906 N LEU B1107 -2.103 13.611 3.514 1.00 0.00 N ATOM 907 CA LEU B1107 -3.209 12.839 4.070 1.00 0.00 C ATOM 908 C LEU B1107 -4.029 12.221 2.947 1.00 0.00 C ATOM 909 O LEU B1107 -4.408 11.051 3.000 1.00 0.00 O ATOM 910 CB LEU B1107 -4.100 13.766 4.899 1.00 0.00 C ATOM 911 CG LEU B1107 -3.366 14.179 6.173 1.00 0.00 C ATOM 912 CD1 LEU B1107 -4.116 15.332 6.843 1.00 0.00 C ATOM 913 CD2 LEU B1107 -3.304 12.991 7.136 1.00 0.00 C ATOM 0 H LEU B1107 -2.114 14.602 3.755 1.00 0.00 H new ATOM 0 HA LEU B1107 -2.812 12.043 4.700 1.00 0.00 H new ATOM 0 HB2 LEU B1107 -4.364 14.649 4.317 1.00 0.00 H new ATOM 0 HB3 LEU B1107 -5.032 13.261 5.152 1.00 0.00 H new ATOM 0 HG LEU B1107 -2.355 14.497 5.920 1.00 0.00 H new ATOM 0 HD11 LEU B1107 -3.592 15.627 7.752 1.00 0.00 H new ATOM 0 HD12 LEU B1107 -4.164 16.180 6.160 1.00 0.00 H new ATOM 0 HD13 LEU B1107 -5.127 15.011 7.094 1.00 0.00 H new ATOM 0 HD21 LEU B1107 -2.780 13.286 8.045 1.00 0.00 H new ATOM 0 HD22 LEU B1107 -4.316 12.673 7.387 1.00 0.00 H new ATOM 0 HD23 LEU B1107 -2.772 12.166 6.662 1.00 0.00 H new ATOM 925 N ALA B1108 -4.275 13.016 1.919 1.00 0.00 N ATOM 926 CA ALA B1108 -5.025 12.551 0.767 1.00 0.00 C ATOM 927 C ALA B1108 -4.268 11.431 0.064 1.00 0.00 C ATOM 928 O ALA B1108 -4.866 10.477 -0.434 1.00 0.00 O ATOM 929 CB ALA B1108 -5.258 13.711 -0.205 1.00 0.00 C ATOM 0 H ALA B1108 -3.966 13.986 1.860 1.00 0.00 H new ATOM 0 HA ALA B1108 -5.988 12.168 1.105 1.00 0.00 H new ATOM 0 HB1 ALA B1108 -5.821 13.355 -1.068 1.00 0.00 H new ATOM 0 HB2 ALA B1108 -5.821 14.498 0.296 1.00 0.00 H new ATOM 0 HB3 ALA B1108 -4.298 14.106 -0.537 1.00 0.00 H new ATOM 935 N ALA B1109 -2.946 11.562 0.020 1.00 0.00 N ATOM 936 CA ALA B1109 -2.111 10.564 -0.636 1.00 0.00 C ATOM 937 C ALA B1109 -2.223 9.222 0.069 1.00 0.00 C ATOM 938 O ALA B1109 -2.296 8.176 -0.570 1.00 0.00 O ATOM 939 CB ALA B1109 -0.652 11.031 -0.643 1.00 0.00 C ATOM 0 H ALA B1109 -2.433 12.344 0.428 1.00 0.00 H new ATOM 0 HA ALA B1109 -2.456 10.443 -1.663 1.00 0.00 H new ATOM 0 HB1 ALA B1109 -0.032 10.281 -1.135 1.00 0.00 H new ATOM 0 HB2 ALA B1109 -0.575 11.975 -1.182 1.00 0.00 H new ATOM 0 HB3 ALA B1109 -0.309 11.169 0.382 1.00 0.00 H new ATOM 945 N CYS B1110 -2.226 9.257 1.391 1.00 0.00 N ATOM 946 CA CYS B1110 -2.320 8.033 2.168 1.00 0.00 C ATOM 947 C CYS B1110 -3.663 7.357 1.949 1.00 0.00 C ATOM 948 O CYS B1110 -3.742 6.138 1.803 1.00 0.00 O ATOM 949 CB CYS B1110 -2.132 8.369 3.635 1.00 0.00 C ATOM 950 SG CYS B1110 -0.422 8.888 3.853 1.00 0.00 S ATOM 0 H CYS B1110 -2.165 10.112 1.945 1.00 0.00 H new ATOM 0 HA CYS B1110 -1.542 7.341 1.846 1.00 0.00 H new ATOM 0 HB2 CYS B1110 -2.816 9.162 3.938 1.00 0.00 H new ATOM 0 HB3 CYS B1110 -2.353 7.503 4.259 1.00 0.00 H new ATOM 0 HG CYS B1110 -0.270 10.090 3.382 1.00 0.00 H new ATOM 956 N ARG B1111 -4.714 8.165 1.911 1.00 0.00 N ATOM 957 CA ARG B1111 -6.051 7.641 1.691 1.00 0.00 C ATOM 958 C ARG B1111 -6.128 6.936 0.347 1.00 0.00 C ATOM 959 O ARG B1111 -6.656 5.827 0.238 1.00 0.00 O ATOM 960 CB ARG B1111 -7.043 8.802 1.734 1.00 0.00 C ATOM 961 CG ARG B1111 -7.310 9.181 3.190 1.00 0.00 C ATOM 962 CD ARG B1111 -7.994 10.545 3.255 1.00 0.00 C ATOM 963 NE ARG B1111 -8.411 10.831 4.628 1.00 0.00 N ATOM 964 CZ ARG B1111 -7.528 11.145 5.581 1.00 0.00 C ATOM 965 NH1 ARG B1111 -6.248 11.182 5.324 1.00 0.00 N ATOM 966 NH2 ARG B1111 -7.947 11.419 6.786 1.00 0.00 N ATOM 0 H ARG B1111 -4.666 9.177 2.029 1.00 0.00 H new ATOM 0 HA ARG B1111 -6.294 6.917 2.468 1.00 0.00 H new ATOM 0 HB2 ARG B1111 -6.643 9.658 1.190 1.00 0.00 H new ATOM 0 HB3 ARG B1111 -7.974 8.519 1.243 1.00 0.00 H new ATOM 0 HG2 ARG B1111 -7.939 8.426 3.662 1.00 0.00 H new ATOM 0 HG3 ARG B1111 -6.373 9.208 3.746 1.00 0.00 H new ATOM 0 HD2 ARG B1111 -7.312 11.320 2.904 1.00 0.00 H new ATOM 0 HD3 ARG B1111 -8.860 10.559 2.593 1.00 0.00 H new ATOM 0 HE ARG B1111 -9.402 10.790 4.864 1.00 0.00 H new ATOM 0 HH11 ARG B1111 -5.910 10.970 4.385 1.00 0.00 H new ATOM 0 HH12 ARG B1111 -5.586 11.423 6.062 1.00 0.00 H new ATOM 0 HH21 ARG B1111 -8.945 11.393 6.997 1.00 0.00 H new ATOM 0 HH22 ARG B1111 -7.277 11.659 7.517 1.00 0.00 H new ATOM 980 N GLU B1112 -5.580 7.575 -0.672 1.00 0.00 N ATOM 981 CA GLU B1112 -5.583 6.992 -2.002 1.00 0.00 C ATOM 982 C GLU B1112 -4.702 5.749 -2.046 1.00 0.00 C ATOM 983 O GLU B1112 -5.042 4.759 -2.696 1.00 0.00 O ATOM 984 CB GLU B1112 -5.087 8.012 -3.020 1.00 0.00 C ATOM 985 CG GLU B1112 -5.278 7.451 -4.431 1.00 0.00 C ATOM 986 CD GLU B1112 -4.995 8.528 -5.470 1.00 0.00 C ATOM 987 OE1 GLU B1112 -5.606 9.582 -5.384 1.00 0.00 O ATOM 988 OE2 GLU B1112 -4.175 8.286 -6.340 1.00 0.00 O ATOM 0 H GLU B1112 -5.131 8.489 -0.606 1.00 0.00 H new ATOM 0 HA GLU B1112 -6.605 6.704 -2.249 1.00 0.00 H new ATOM 0 HB2 GLU B1112 -5.635 8.948 -2.911 1.00 0.00 H new ATOM 0 HB3 GLU B1112 -4.035 8.236 -2.845 1.00 0.00 H new ATOM 0 HG2 GLU B1112 -4.612 6.603 -4.586 1.00 0.00 H new ATOM 0 HG3 GLU B1112 -6.297 7.082 -4.548 1.00 0.00 H new ATOM 995 N GLU B1113 -3.558 5.809 -1.366 1.00 0.00 N ATOM 996 CA GLU B1113 -2.644 4.683 -1.363 1.00 0.00 C ATOM 997 C GLU B1113 -3.307 3.468 -0.718 1.00 0.00 C ATOM 998 O GLU B1113 -3.153 2.339 -1.185 1.00 0.00 O ATOM 999 CB GLU B1113 -1.382 5.060 -0.601 1.00 0.00 C ATOM 1000 CG GLU B1113 -0.285 4.053 -0.918 1.00 0.00 C ATOM 1001 CD GLU B1113 -0.459 2.794 -0.086 1.00 0.00 C ATOM 1002 OE1 GLU B1113 -1.117 2.858 0.940 1.00 0.00 O ATOM 1003 OE2 GLU B1113 0.076 1.785 -0.492 1.00 0.00 O ATOM 0 H GLU B1113 -3.251 6.614 -0.820 1.00 0.00 H new ATOM 0 HA GLU B1113 -2.382 4.428 -2.390 1.00 0.00 H new ATOM 0 HB2 GLU B1113 -1.062 6.064 -0.879 1.00 0.00 H new ATOM 0 HB3 GLU B1113 -1.581 5.074 0.471 1.00 0.00 H new ATOM 0 HG2 GLU B1113 -0.310 3.801 -1.978 1.00 0.00 H new ATOM 0 HG3 GLU B1113 0.691 4.495 -0.719 1.00 0.00 H new ATOM 1010 N PHE B1114 -4.052 3.719 0.352 1.00 0.00 N ATOM 1011 CA PHE B1114 -4.754 2.658 1.066 1.00 0.00 C ATOM 1012 C PHE B1114 -5.800 2.020 0.165 1.00 0.00 C ATOM 1013 O PHE B1114 -5.966 0.803 0.161 1.00 0.00 O ATOM 1014 CB PHE B1114 -5.440 3.220 2.316 1.00 0.00 C ATOM 1015 CG PHE B1114 -4.471 3.221 3.476 1.00 0.00 C ATOM 1016 CD1 PHE B1114 -3.110 3.464 3.256 1.00 0.00 C ATOM 1017 CD2 PHE B1114 -4.937 2.974 4.774 1.00 0.00 C ATOM 1018 CE1 PHE B1114 -2.217 3.459 4.335 1.00 0.00 C ATOM 1019 CE2 PHE B1114 -4.042 2.971 5.851 1.00 0.00 C ATOM 1020 CZ PHE B1114 -2.681 3.213 5.631 1.00 0.00 C ATOM 0 H PHE B1114 -4.186 4.650 0.746 1.00 0.00 H new ATOM 0 HA PHE B1114 -4.024 1.905 1.363 1.00 0.00 H new ATOM 0 HB2 PHE B1114 -5.792 4.233 2.124 1.00 0.00 H new ATOM 0 HB3 PHE B1114 -6.316 2.619 2.562 1.00 0.00 H new ATOM 0 HD1 PHE B1114 -2.749 3.655 2.256 1.00 0.00 H new ATOM 0 HD2 PHE B1114 -5.987 2.786 4.944 1.00 0.00 H new ATOM 0 HE1 PHE B1114 -1.167 3.646 4.166 1.00 0.00 H new ATOM 0 HE2 PHE B1114 -4.402 2.782 6.852 1.00 0.00 H new ATOM 0 HZ PHE B1114 -1.990 3.210 6.461 1.00 0.00 H new ATOM 1030 N HIS B1115 -6.506 2.843 -0.602 1.00 0.00 N ATOM 1031 CA HIS B1115 -7.528 2.322 -1.498 1.00 0.00 C ATOM 1032 C HIS B1115 -6.904 1.396 -2.532 1.00 0.00 C ATOM 1033 O HIS B1115 -7.447 0.335 -2.835 1.00 0.00 O ATOM 1034 CB HIS B1115 -8.241 3.470 -2.211 1.00 0.00 C ATOM 1035 CG HIS B1115 -9.210 4.127 -1.267 1.00 0.00 C ATOM 1036 ND1 HIS B1115 -9.350 5.503 -1.192 1.00 0.00 N ATOM 1037 CD2 HIS B1115 -10.104 3.608 -0.364 1.00 0.00 C ATOM 1038 CE1 HIS B1115 -10.297 5.765 -0.273 1.00 0.00 C ATOM 1039 NE2 HIS B1115 -10.790 4.643 0.263 1.00 0.00 N ATOM 0 H HIS B1115 -6.392 3.856 -0.622 1.00 0.00 H new ATOM 0 HA HIS B1115 -8.250 1.762 -0.904 1.00 0.00 H new ATOM 0 HB2 HIS B1115 -7.513 4.199 -2.566 1.00 0.00 H new ATOM 0 HB3 HIS B1115 -8.769 3.095 -3.087 1.00 0.00 H new ATOM 0 HD2 HIS B1115 -10.252 2.556 -0.170 1.00 0.00 H new ATOM 0 HE1 HIS B1115 -10.620 6.759 -0.001 1.00 0.00 H new ATOM 0 HE2 HIS B1115 -11.513 4.563 0.978 1.00 0.00 H new ATOM 1047 N ARG B1116 -5.758 1.800 -3.074 1.00 0.00 N ATOM 1048 CA ARG B1116 -5.082 0.982 -4.071 1.00 0.00 C ATOM 1049 C ARG B1116 -4.652 -0.346 -3.463 1.00 0.00 C ATOM 1050 O ARG B1116 -4.859 -1.409 -4.055 1.00 0.00 O ATOM 1051 CB ARG B1116 -3.859 1.728 -4.605 1.00 0.00 C ATOM 1052 CG ARG B1116 -4.310 2.980 -5.367 1.00 0.00 C ATOM 1053 CD ARG B1116 -4.972 2.568 -6.689 1.00 0.00 C ATOM 1054 NE ARG B1116 -5.289 3.746 -7.491 1.00 0.00 N ATOM 1055 CZ ARG B1116 -5.882 3.644 -8.681 1.00 0.00 C ATOM 1056 NH1 ARG B1116 -6.199 2.477 -9.177 1.00 0.00 N ATOM 1057 NH2 ARG B1116 -6.151 4.725 -9.359 1.00 0.00 N ATOM 0 H ARG B1116 -5.286 2.674 -2.843 1.00 0.00 H new ATOM 0 HA ARG B1116 -5.772 0.784 -4.891 1.00 0.00 H new ATOM 0 HB2 ARG B1116 -3.203 2.009 -3.781 1.00 0.00 H new ATOM 0 HB3 ARG B1116 -3.283 1.078 -5.263 1.00 0.00 H new ATOM 0 HG2 ARG B1116 -5.011 3.554 -4.761 1.00 0.00 H new ATOM 0 HG3 ARG B1116 -3.455 3.627 -5.563 1.00 0.00 H new ATOM 0 HD2 ARG B1116 -4.306 1.910 -7.247 1.00 0.00 H new ATOM 0 HD3 ARG B1116 -5.882 2.003 -6.486 1.00 0.00 H new ATOM 0 HE ARG B1116 -5.051 4.671 -7.132 1.00 0.00 H new ATOM 0 HH11 ARG B1116 -5.993 1.627 -8.652 1.00 0.00 H new ATOM 0 HH12 ARG B1116 -6.652 2.416 -10.089 1.00 0.00 H new ATOM 0 HH21 ARG B1116 -5.908 5.640 -8.978 1.00 0.00 H new ATOM 0 HH22 ARG B1116 -6.604 4.656 -10.270 1.00 0.00 H new ATOM 1071 N ARG B1117 -4.072 -0.284 -2.270 1.00 0.00 N ATOM 1072 CA ARG B1117 -3.642 -1.497 -1.595 1.00 0.00 C ATOM 1073 C ARG B1117 -4.829 -2.398 -1.272 1.00 0.00 C ATOM 1074 O ARG B1117 -4.761 -3.613 -1.449 1.00 0.00 O ATOM 1075 CB ARG B1117 -2.882 -1.147 -0.319 1.00 0.00 C ATOM 1076 CG ARG B1117 -1.445 -0.775 -0.677 1.00 0.00 C ATOM 1077 CD ARG B1117 -0.604 -0.768 0.603 1.00 0.00 C ATOM 1078 NE ARG B1117 0.808 -0.556 0.296 1.00 0.00 N ATOM 1079 CZ ARG B1117 1.763 -0.751 1.205 1.00 0.00 C ATOM 1080 NH1 ARG B1117 1.471 -1.138 2.420 1.00 0.00 N ATOM 1081 NH2 ARG B1117 3.007 -0.561 0.873 1.00 0.00 N ATOM 0 H ARG B1117 -3.892 0.580 -1.759 1.00 0.00 H new ATOM 0 HA ARG B1117 -2.979 -2.042 -2.267 1.00 0.00 H new ATOM 0 HB2 ARG B1117 -3.369 -0.316 0.192 1.00 0.00 H new ATOM 0 HB3 ARG B1117 -2.891 -1.993 0.368 1.00 0.00 H new ATOM 0 HG2 ARG B1117 -1.037 -1.489 -1.393 1.00 0.00 H new ATOM 0 HG3 ARG B1117 -1.416 0.205 -1.153 1.00 0.00 H new ATOM 0 HD2 ARG B1117 -0.957 0.018 1.271 1.00 0.00 H new ATOM 0 HD3 ARG B1117 -0.728 -1.714 1.130 1.00 0.00 H new ATOM 0 HE ARG B1117 1.071 -0.250 -0.641 1.00 0.00 H new ATOM 0 HH11 ARG B1117 0.499 -1.296 2.685 1.00 0.00 H new ATOM 0 HH12 ARG B1117 2.216 -1.282 3.102 1.00 0.00 H new ATOM 0 HH21 ARG B1117 3.243 -0.266 -0.075 1.00 0.00 H new ATOM 0 HH22 ARG B1117 3.746 -0.707 1.560 1.00 0.00 H new ATOM 1095 N LEU B1118 -5.914 -1.796 -0.802 1.00 0.00 N ATOM 1096 CA LEU B1118 -7.109 -2.560 -0.462 1.00 0.00 C ATOM 1097 C LEU B1118 -7.709 -3.215 -1.705 1.00 0.00 C ATOM 1098 O LEU B1118 -8.157 -4.360 -1.659 1.00 0.00 O ATOM 1099 CB LEU B1118 -8.137 -1.643 0.203 1.00 0.00 C ATOM 1100 CG LEU B1118 -7.649 -1.250 1.602 1.00 0.00 C ATOM 1101 CD1 LEU B1118 -8.528 -0.129 2.153 1.00 0.00 C ATOM 1102 CD2 LEU B1118 -7.741 -2.460 2.535 1.00 0.00 C ATOM 0 H LEU B1118 -5.992 -0.791 -0.648 1.00 0.00 H new ATOM 0 HA LEU B1118 -6.830 -3.351 0.235 1.00 0.00 H new ATOM 0 HB2 LEU B1118 -8.289 -0.750 -0.404 1.00 0.00 H new ATOM 0 HB3 LEU B1118 -9.100 -2.149 0.272 1.00 0.00 H new ATOM 0 HG LEU B1118 -6.615 -0.911 1.540 1.00 0.00 H new ATOM 0 HD11 LEU B1118 -8.181 0.150 3.148 1.00 0.00 H new ATOM 0 HD12 LEU B1118 -8.471 0.736 1.493 1.00 0.00 H new ATOM 0 HD13 LEU B1118 -9.561 -0.472 2.212 1.00 0.00 H new ATOM 0 HD21 LEU B1118 -7.394 -2.180 3.530 1.00 0.00 H new ATOM 0 HD22 LEU B1118 -8.776 -2.797 2.593 1.00 0.00 H new ATOM 0 HD23 LEU B1118 -7.119 -3.267 2.147 1.00 0.00 H new ATOM 1114 N LYS B1119 -7.710 -2.488 -2.817 1.00 0.00 N ATOM 1115 CA LYS B1119 -8.247 -3.011 -4.059 1.00 0.00 C ATOM 1116 C LYS B1119 -7.478 -4.250 -4.497 1.00 0.00 C ATOM 1117 O LYS B1119 -8.070 -5.256 -4.892 1.00 0.00 O ATOM 1118 CB LYS B1119 -8.137 -1.939 -5.132 1.00 0.00 C ATOM 1119 CG LYS B1119 -8.709 -2.470 -6.437 1.00 0.00 C ATOM 1120 CD LYS B1119 -8.634 -1.384 -7.503 1.00 0.00 C ATOM 1121 CE LYS B1119 -9.190 -1.953 -8.798 1.00 0.00 C ATOM 1122 NZ LYS B1119 -9.145 -0.921 -9.870 1.00 0.00 N ATOM 0 H LYS B1119 -7.345 -1.538 -2.880 1.00 0.00 H new ATOM 0 HA LYS B1119 -9.290 -3.288 -3.908 1.00 0.00 H new ATOM 0 HB2 LYS B1119 -8.676 -1.043 -4.823 1.00 0.00 H new ATOM 0 HB3 LYS B1119 -7.094 -1.652 -5.269 1.00 0.00 H new ATOM 0 HG2 LYS B1119 -8.152 -3.350 -6.759 1.00 0.00 H new ATOM 0 HG3 LYS B1119 -9.743 -2.782 -6.293 1.00 0.00 H new ATOM 0 HD2 LYS B1119 -9.206 -0.509 -7.195 1.00 0.00 H new ATOM 0 HD3 LYS B1119 -7.603 -1.058 -7.642 1.00 0.00 H new ATOM 0 HE2 LYS B1119 -8.612 -2.827 -9.099 1.00 0.00 H new ATOM 0 HE3 LYS B1119 -10.216 -2.287 -8.647 1.00 0.00 H new ATOM 0 HZ1 LYS B1119 -9.527 -1.319 -10.751 1.00 0.00 H new ATOM 0 HZ2 LYS B1119 -9.716 -0.100 -9.585 1.00 0.00 H new ATOM 0 HZ3 LYS B1119 -8.161 -0.622 -10.023 1.00 0.00 H new ATOM 1136 N VAL B1120 -6.155 -4.171 -4.423 1.00 0.00 N ATOM 1137 CA VAL B1120 -5.314 -5.292 -4.812 1.00 0.00 C ATOM 1138 C VAL B1120 -5.576 -6.481 -3.902 1.00 0.00 C ATOM 1139 O VAL B1120 -5.640 -7.619 -4.354 1.00 0.00 O ATOM 1140 CB VAL B1120 -3.838 -4.903 -4.735 1.00 0.00 C ATOM 1141 CG1 VAL B1120 -2.968 -6.143 -4.959 1.00 0.00 C ATOM 1142 CG2 VAL B1120 -3.535 -3.869 -5.818 1.00 0.00 C ATOM 0 H VAL B1120 -5.646 -3.348 -4.100 1.00 0.00 H new ATOM 0 HA VAL B1120 -5.555 -5.564 -5.839 1.00 0.00 H new ATOM 0 HB VAL B1120 -3.622 -4.483 -3.753 1.00 0.00 H new ATOM 0 HG11 VAL B1120 -1.916 -5.864 -4.904 1.00 0.00 H new ATOM 0 HG12 VAL B1120 -3.187 -6.885 -4.191 1.00 0.00 H new ATOM 0 HG13 VAL B1120 -3.181 -6.564 -5.942 1.00 0.00 H new ATOM 0 HG21 VAL B1120 -2.483 -3.587 -5.768 1.00 0.00 H new ATOM 0 HG22 VAL B1120 -3.751 -4.295 -6.798 1.00 0.00 H new ATOM 0 HG23 VAL B1120 -4.155 -2.986 -5.662 1.00 0.00 H new ATOM 1152 N TYR B1121 -5.721 -6.205 -2.612 1.00 0.00 N ATOM 1153 CA TYR B1121 -5.970 -7.263 -1.643 1.00 0.00 C ATOM 1154 C TYR B1121 -7.245 -8.014 -1.997 1.00 0.00 C ATOM 1155 O TYR B1121 -7.263 -9.245 -2.040 1.00 0.00 O ATOM 1156 CB TYR B1121 -6.097 -6.667 -0.240 1.00 0.00 C ATOM 1157 CG TYR B1121 -6.530 -7.739 0.734 1.00 0.00 C ATOM 1158 CD1 TYR B1121 -5.608 -8.685 1.198 1.00 0.00 C ATOM 1159 CD2 TYR B1121 -7.856 -7.780 1.180 1.00 0.00 C ATOM 1160 CE1 TYR B1121 -6.012 -9.670 2.107 1.00 0.00 C ATOM 1161 CE2 TYR B1121 -8.262 -8.765 2.087 1.00 0.00 C ATOM 1162 CZ TYR B1121 -7.339 -9.710 2.551 1.00 0.00 C ATOM 1163 OH TYR B1121 -7.740 -10.677 3.451 1.00 0.00 O ATOM 0 H TYR B1121 -5.671 -5.266 -2.216 1.00 0.00 H new ATOM 0 HA TYR B1121 -5.131 -7.959 -1.664 1.00 0.00 H new ATOM 0 HB2 TYR B1121 -5.143 -6.243 0.073 1.00 0.00 H new ATOM 0 HB3 TYR B1121 -6.822 -5.853 -0.245 1.00 0.00 H new ATOM 0 HD1 TYR B1121 -4.585 -8.655 0.854 1.00 0.00 H new ATOM 0 HD2 TYR B1121 -8.567 -7.050 0.823 1.00 0.00 H new ATOM 0 HE1 TYR B1121 -5.300 -10.399 2.466 1.00 0.00 H new ATOM 0 HE2 TYR B1121 -9.286 -8.796 2.429 1.00 0.00 H new ATOM 0 HH TYR B1121 -6.995 -11.288 3.628 1.00 0.00 H new ATOM 1173 N HIS B1122 -8.308 -7.265 -2.260 1.00 0.00 N ATOM 1174 CA HIS B1122 -9.584 -7.871 -2.619 1.00 0.00 C ATOM 1175 C HIS B1122 -9.441 -8.693 -3.893 1.00 0.00 C ATOM 1176 O HIS B1122 -9.901 -9.833 -3.967 1.00 0.00 O ATOM 1177 CB HIS B1122 -10.638 -6.782 -2.816 1.00 0.00 C ATOM 1178 CG HIS B1122 -11.930 -7.412 -3.247 1.00 0.00 C ATOM 1179 ND1 HIS B1122 -12.353 -7.407 -4.567 1.00 0.00 N ATOM 1180 CD2 HIS B1122 -12.897 -8.081 -2.546 1.00 0.00 C ATOM 1181 CE1 HIS B1122 -13.531 -8.054 -4.617 1.00 0.00 C ATOM 1182 NE2 HIS B1122 -13.910 -8.487 -3.411 1.00 0.00 N ATOM 0 H HIS B1122 -8.313 -6.245 -2.232 1.00 0.00 H new ATOM 0 HA HIS B1122 -9.898 -8.532 -1.811 1.00 0.00 H new ATOM 0 HB2 HIS B1122 -10.782 -6.228 -1.888 1.00 0.00 H new ATOM 0 HB3 HIS B1122 -10.302 -6.066 -3.566 1.00 0.00 H new ATOM 0 HD2 HIS B1122 -12.877 -8.266 -1.482 1.00 0.00 H new ATOM 0 HE1 HIS B1122 -14.101 -8.205 -5.522 1.00 0.00 H new ATOM 0 HE2 HIS B1122 -14.758 -9.003 -3.175 1.00 0.00 H new ATOM 1190 N ALA B1123 -8.803 -8.105 -4.895 1.00 0.00 N ATOM 1191 CA ALA B1123 -8.609 -8.790 -6.164 1.00 0.00 C ATOM 1192 C ALA B1123 -7.806 -10.075 -5.966 1.00 0.00 C ATOM 1193 O ALA B1123 -8.099 -11.101 -6.574 1.00 0.00 O ATOM 1194 CB ALA B1123 -7.887 -7.867 -7.150 1.00 0.00 C ATOM 0 H ALA B1123 -8.414 -7.163 -4.855 1.00 0.00 H new ATOM 0 HA ALA B1123 -9.586 -9.053 -6.569 1.00 0.00 H new ATOM 0 HB1 ALA B1123 -7.745 -8.387 -8.098 1.00 0.00 H new ATOM 0 HB2 ALA B1123 -8.485 -6.970 -7.314 1.00 0.00 H new ATOM 0 HB3 ALA B1123 -6.916 -7.586 -6.741 1.00 0.00 H new ATOM 1200 N TRP B1124 -6.795 -10.019 -5.109 1.00 0.00 N ATOM 1201 CA TRP B1124 -5.974 -11.178 -4.840 1.00 0.00 C ATOM 1202 C TRP B1124 -6.815 -12.306 -4.263 1.00 0.00 C ATOM 1203 O TRP B1124 -6.706 -13.460 -4.676 1.00 0.00 O ATOM 1204 CB TRP B1124 -4.867 -10.797 -3.868 1.00 0.00 C ATOM 1205 CG TRP B1124 -4.111 -12.012 -3.496 1.00 0.00 C ATOM 1206 CD1 TRP B1124 -3.248 -12.642 -4.305 1.00 0.00 C ATOM 1207 CD2 TRP B1124 -4.113 -12.733 -2.240 1.00 0.00 C ATOM 1208 NE1 TRP B1124 -2.718 -13.729 -3.635 1.00 0.00 N ATOM 1209 CE2 TRP B1124 -3.221 -13.825 -2.349 1.00 0.00 C ATOM 1210 CE3 TRP B1124 -4.795 -12.549 -1.027 1.00 0.00 C ATOM 1211 CZ2 TRP B1124 -3.019 -14.709 -1.290 1.00 0.00 C ATOM 1212 CZ3 TRP B1124 -4.592 -13.434 0.042 1.00 0.00 C ATOM 1213 CH2 TRP B1124 -3.704 -14.510 -0.088 1.00 0.00 C ATOM 0 H TRP B1124 -6.529 -9.181 -4.592 1.00 0.00 H new ATOM 0 HA TRP B1124 -5.532 -11.526 -5.774 1.00 0.00 H new ATOM 0 HB2 TRP B1124 -4.201 -10.065 -4.325 1.00 0.00 H new ATOM 0 HB3 TRP B1124 -5.291 -10.331 -2.979 1.00 0.00 H new ATOM 0 HD1 TRP B1124 -3.006 -12.348 -5.316 1.00 0.00 H new ATOM 0 HE1 TRP B1124 -2.042 -14.378 -4.037 1.00 0.00 H new ATOM 0 HE3 TRP B1124 -5.480 -11.721 -0.916 1.00 0.00 H new ATOM 0 HZ2 TRP B1124 -2.339 -15.541 -1.398 1.00 0.00 H new ATOM 0 HZ3 TRP B1124 -5.123 -13.285 0.971 1.00 0.00 H new ATOM 0 HH2 TRP B1124 -3.549 -15.185 0.740 1.00 0.00 H new ATOM 1224 N LYS B1125 -7.657 -11.976 -3.309 1.00 0.00 N ATOM 1225 CA LYS B1125 -8.502 -12.988 -2.709 1.00 0.00 C ATOM 1226 C LYS B1125 -9.391 -13.624 -3.763 1.00 0.00 C ATOM 1227 O LYS B1125 -9.600 -14.830 -3.761 1.00 0.00 O ATOM 1228 CB LYS B1125 -9.368 -12.365 -1.613 1.00 0.00 C ATOM 1229 CG LYS B1125 -8.507 -12.005 -0.399 1.00 0.00 C ATOM 1230 CD LYS B1125 -8.027 -13.295 0.265 1.00 0.00 C ATOM 1231 CE LYS B1125 -7.451 -12.985 1.645 1.00 0.00 C ATOM 1232 NZ LYS B1125 -6.921 -14.240 2.254 1.00 0.00 N ATOM 0 H LYS B1125 -7.775 -11.034 -2.936 1.00 0.00 H new ATOM 0 HA LYS B1125 -7.866 -13.757 -2.271 1.00 0.00 H new ATOM 0 HB2 LYS B1125 -9.863 -11.472 -1.994 1.00 0.00 H new ATOM 0 HB3 LYS B1125 -10.152 -13.063 -1.318 1.00 0.00 H new ATOM 0 HG2 LYS B1125 -7.655 -11.400 -0.707 1.00 0.00 H new ATOM 0 HG3 LYS B1125 -9.083 -11.408 0.308 1.00 0.00 H new ATOM 0 HD2 LYS B1125 -8.855 -13.997 0.356 1.00 0.00 H new ATOM 0 HD3 LYS B1125 -7.270 -13.774 -0.356 1.00 0.00 H new ATOM 0 HE2 LYS B1125 -6.656 -12.244 1.561 1.00 0.00 H new ATOM 0 HE3 LYS B1125 -8.222 -12.555 2.285 1.00 0.00 H new ATOM 0 HZ1 LYS B1125 -6.468 -14.020 3.164 1.00 0.00 H new ATOM 0 HZ2 LYS B1125 -7.703 -14.908 2.409 1.00 0.00 H new ATOM 0 HZ3 LYS B1125 -6.222 -14.668 1.614 1.00 0.00 H new ATOM 1246 N SER B1126 -9.897 -12.808 -4.662 1.00 0.00 N ATOM 1247 CA SER B1126 -10.765 -13.307 -5.722 1.00 0.00 C ATOM 1248 C SER B1126 -9.956 -13.983 -6.821 1.00 0.00 C ATOM 1249 O SER B1126 -10.506 -14.722 -7.632 1.00 0.00 O ATOM 1250 CB SER B1126 -11.575 -12.162 -6.320 1.00 0.00 C ATOM 1251 OG SER B1126 -10.710 -11.303 -7.048 1.00 0.00 O ATOM 0 H SER B1126 -9.728 -11.802 -4.686 1.00 0.00 H new ATOM 0 HA SER B1126 -11.439 -14.043 -5.284 1.00 0.00 H new ATOM 0 HB2 SER B1126 -12.352 -12.555 -6.976 1.00 0.00 H new ATOM 0 HB3 SER B1126 -12.077 -11.605 -5.529 1.00 0.00 H new ATOM 0 HG SER B1126 -9.797 -11.390 -6.704 1.00 0.00 H new ATOM 1382 N GLU A 47 0.554 -18.137 0.186 1.00 0.00 N ATOM 1383 CA GLU A 47 -0.576 -17.269 -0.117 1.00 0.00 C ATOM 1384 C GLU A 47 -0.700 -16.166 0.927 1.00 0.00 C ATOM 1385 O GLU A 47 -0.959 -15.006 0.599 1.00 0.00 O ATOM 1386 CB GLU A 47 -1.862 -18.090 -0.131 1.00 0.00 C ATOM 1387 CG GLU A 47 -1.862 -19.017 -1.347 1.00 0.00 C ATOM 1388 CD GLU A 47 -3.068 -19.951 -1.295 1.00 0.00 C ATOM 1389 OE1 GLU A 47 -3.726 -19.982 -0.269 1.00 0.00 O ATOM 1390 OE2 GLU A 47 -3.312 -20.625 -2.283 1.00 0.00 O ATOM 0 HA GLU A 47 -0.412 -16.816 -1.094 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.943 -18.675 0.785 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.728 -17.429 -0.164 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.888 -18.427 -2.263 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.941 -19.600 -1.369 1.00 0.00 H new ATOM 1397 N ASN A 48 -0.510 -16.531 2.189 1.00 0.00 N ATOM 1398 CA ASN A 48 -0.609 -15.560 3.265 1.00 0.00 C ATOM 1399 C ASN A 48 0.447 -14.481 3.093 1.00 0.00 C ATOM 1400 O ASN A 48 0.190 -13.300 3.323 1.00 0.00 O ATOM 1401 CB ASN A 48 -0.418 -16.252 4.613 1.00 0.00 C ATOM 1402 CG ASN A 48 -1.611 -17.154 4.905 1.00 0.00 C ATOM 1403 OD1 ASN A 48 -1.437 -18.325 5.244 1.00 0.00 O ATOM 1404 ND2 ASN A 48 -2.818 -16.681 4.773 1.00 0.00 N ATOM 0 H ASN A 48 -0.289 -17.481 2.488 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.598 -15.102 3.233 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.500 -16.840 4.603 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.312 -15.508 5.402 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.623 -17.281 4.951 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.958 -15.710 4.492 1.00 0.00 H new ATOM 1411 N ASP A 49 1.634 -14.898 2.679 1.00 0.00 N ATOM 1412 CA ASP A 49 2.724 -13.956 2.475 1.00 0.00 C ATOM 1413 C ASP A 49 2.376 -12.969 1.368 1.00 0.00 C ATOM 1414 O ASP A 49 2.681 -11.781 1.464 1.00 0.00 O ATOM 1415 CB ASP A 49 4.007 -14.704 2.111 1.00 0.00 C ATOM 1416 CG ASP A 49 4.545 -15.445 3.332 1.00 0.00 C ATOM 1417 OD1 ASP A 49 4.074 -15.169 4.423 1.00 0.00 O ATOM 1418 OD2 ASP A 49 5.423 -16.273 3.158 1.00 0.00 O ATOM 0 H ASP A 49 1.866 -15.871 2.480 1.00 0.00 H new ATOM 0 HA ASP A 49 2.880 -13.406 3.403 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.809 -15.410 1.305 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.755 -14.002 1.743 1.00 0.00 H new ATOM 1423 N GLU A 50 1.738 -13.469 0.312 1.00 0.00 N ATOM 1424 CA GLU A 50 1.361 -12.616 -0.808 1.00 0.00 C ATOM 1425 C GLU A 50 0.389 -11.535 -0.353 1.00 0.00 C ATOM 1426 O GLU A 50 0.516 -10.368 -0.735 1.00 0.00 O ATOM 1427 CB GLU A 50 0.704 -13.455 -1.902 1.00 0.00 C ATOM 1428 CG GLU A 50 1.748 -14.365 -2.551 1.00 0.00 C ATOM 1429 CD GLU A 50 1.083 -15.243 -3.608 1.00 0.00 C ATOM 1430 OE1 GLU A 50 -0.135 -15.210 -3.696 1.00 0.00 O ATOM 1431 OE2 GLU A 50 1.801 -15.932 -4.312 1.00 0.00 O ATOM 0 H GLU A 50 1.475 -14.449 0.210 1.00 0.00 H new ATOM 0 HA GLU A 50 2.262 -12.143 -1.198 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.102 -14.054 -1.479 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.257 -12.804 -2.654 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.535 -13.764 -3.007 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.222 -14.988 -1.793 1.00 0.00 H new ATOM 1438 N ALA A 51 -0.579 -11.924 0.469 1.00 0.00 N ATOM 1439 CA ALA A 51 -1.554 -10.967 0.966 1.00 0.00 C ATOM 1440 C ALA A 51 -0.876 -9.915 1.834 1.00 0.00 C ATOM 1441 O ALA A 51 -1.210 -8.731 1.768 1.00 0.00 O ATOM 1442 CB ALA A 51 -2.636 -11.680 1.770 1.00 0.00 C ATOM 0 H ALA A 51 -0.707 -12.880 0.800 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.015 -10.474 0.110 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.358 -10.950 2.135 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.143 -12.406 1.134 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.181 -12.195 2.616 1.00 0.00 H new ATOM 1448 N PHE A 52 0.082 -10.350 2.646 1.00 0.00 N ATOM 1449 CA PHE A 52 0.795 -9.425 3.515 1.00 0.00 C ATOM 1450 C PHE A 52 1.522 -8.376 2.691 1.00 0.00 C ATOM 1451 O PHE A 52 1.486 -7.193 3.012 1.00 0.00 O ATOM 1452 CB PHE A 52 1.809 -10.175 4.377 1.00 0.00 C ATOM 1453 CG PHE A 52 1.202 -10.507 5.718 1.00 0.00 C ATOM 1454 CD1 PHE A 52 0.777 -11.811 5.993 1.00 0.00 C ATOM 1455 CD2 PHE A 52 1.083 -9.510 6.698 1.00 0.00 C ATOM 1456 CE1 PHE A 52 0.237 -12.121 7.247 1.00 0.00 C ATOM 1457 CE2 PHE A 52 0.542 -9.821 7.945 1.00 0.00 C ATOM 1458 CZ PHE A 52 0.120 -11.126 8.225 1.00 0.00 C ATOM 0 H PHE A 52 0.378 -11.323 2.720 1.00 0.00 H new ATOM 0 HA PHE A 52 0.064 -8.937 4.159 1.00 0.00 H new ATOM 0 HB2 PHE A 52 2.121 -11.090 3.873 1.00 0.00 H new ATOM 0 HB3 PHE A 52 2.703 -9.566 4.514 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.865 -12.578 5.238 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.410 -8.503 6.487 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.089 -13.128 7.460 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.448 -9.052 8.698 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.295 -11.365 9.193 1.00 0.00 H new ATOM 1468 N ALA A 53 2.174 -8.810 1.624 1.00 0.00 N ATOM 1469 CA ALA A 53 2.895 -7.880 0.774 1.00 0.00 C ATOM 1470 C ALA A 53 1.931 -6.863 0.176 1.00 0.00 C ATOM 1471 O ALA A 53 2.228 -5.678 0.106 1.00 0.00 O ATOM 1472 CB ALA A 53 3.610 -8.636 -0.344 1.00 0.00 C ATOM 0 H ALA A 53 2.218 -9.786 1.330 1.00 0.00 H new ATOM 0 HA ALA A 53 3.636 -7.356 1.378 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.148 -7.929 -0.976 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.316 -9.345 0.089 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.878 -9.175 -0.945 1.00 0.00 H new ATOM 1478 N ILE A 54 0.767 -7.330 -0.243 1.00 0.00 N ATOM 1479 CA ILE A 54 -0.220 -6.442 -0.822 1.00 0.00 C ATOM 1480 C ILE A 54 -0.624 -5.363 0.174 1.00 0.00 C ATOM 1481 O ILE A 54 -0.773 -4.196 -0.190 1.00 0.00 O ATOM 1482 CB ILE A 54 -1.448 -7.244 -1.247 1.00 0.00 C ATOM 1483 CG1 ILE A 54 -1.077 -8.131 -2.435 1.00 0.00 C ATOM 1484 CG2 ILE A 54 -2.568 -6.289 -1.656 1.00 0.00 C ATOM 1485 CD1 ILE A 54 -2.213 -9.115 -2.706 1.00 0.00 C ATOM 0 H ILE A 54 0.486 -8.309 -0.193 1.00 0.00 H new ATOM 0 HA ILE A 54 0.217 -5.958 -1.695 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.788 -7.862 -0.416 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.893 -7.518 -3.317 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.154 -8.672 -2.225 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.443 -6.863 -1.959 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.828 -5.650 -0.812 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.233 -5.671 -2.489 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.951 -9.749 -3.553 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.375 -9.736 -1.825 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.125 -8.564 -2.934 1.00 0.00 H new ATOM 1497 N LEU A 55 -0.818 -5.756 1.423 1.00 0.00 N ATOM 1498 CA LEU A 55 -1.225 -4.810 2.452 1.00 0.00 C ATOM 1499 C LEU A 55 -0.045 -4.368 3.321 1.00 0.00 C ATOM 1500 O LEU A 55 -0.229 -3.996 4.481 1.00 0.00 O ATOM 1501 CB LEU A 55 -2.311 -5.444 3.323 1.00 0.00 C ATOM 1502 CG LEU A 55 -3.522 -5.797 2.448 1.00 0.00 C ATOM 1503 CD1 LEU A 55 -4.555 -6.557 3.280 1.00 0.00 C ATOM 1504 CD2 LEU A 55 -4.163 -4.515 1.907 1.00 0.00 C ATOM 0 H LEU A 55 -0.702 -6.716 1.748 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.616 -3.920 1.958 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.926 -6.340 3.809 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.608 -4.755 4.114 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.189 -6.419 1.617 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.413 -6.806 2.656 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.109 -7.474 3.665 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.881 -5.934 4.113 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.022 -4.771 1.287 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.490 -3.892 2.740 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.434 -3.968 1.309 1.00 0.00 H new ATOM 1516 N ASP A 56 1.163 -4.399 2.759 1.00 0.00 N ATOM 1517 CA ASP A 56 2.344 -3.983 3.515 1.00 0.00 C ATOM 1518 C ASP A 56 3.450 -3.533 2.572 1.00 0.00 C ATOM 1519 O ASP A 56 3.879 -2.382 2.604 1.00 0.00 O ATOM 1520 CB ASP A 56 2.843 -5.143 4.380 1.00 0.00 C ATOM 1521 CG ASP A 56 3.757 -4.624 5.484 1.00 0.00 C ATOM 1522 OD1 ASP A 56 3.738 -3.430 5.733 1.00 0.00 O ATOM 1523 OD2 ASP A 56 4.464 -5.432 6.067 1.00 0.00 O ATOM 0 H ASP A 56 1.348 -4.701 1.803 1.00 0.00 H new ATOM 0 HA ASP A 56 2.069 -3.146 4.156 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.995 -5.670 4.818 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.380 -5.862 3.762 1.00 0.00 H new ATOM 1528 N GLY A 57 3.902 -4.443 1.730 1.00 0.00 N ATOM 1529 CA GLY A 57 4.952 -4.124 0.774 1.00 0.00 C ATOM 1530 C GLY A 57 4.395 -3.359 -0.429 1.00 0.00 C ATOM 1531 O GLY A 57 5.155 -2.883 -1.269 1.00 0.00 O ATOM 0 H GLY A 57 3.563 -5.404 1.686 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.722 -3.527 1.262 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.429 -5.043 0.434 1.00 0.00 H new ATOM 1535 N GLY A 58 3.066 -3.261 -0.519 1.00 0.00 N ATOM 1536 CA GLY A 58 2.436 -2.566 -1.639 1.00 0.00 C ATOM 1537 C GLY A 58 2.553 -3.396 -2.919 1.00 0.00 C ATOM 1538 O GLY A 58 2.395 -2.875 -4.023 1.00 0.00 O ATOM 0 H GLY A 58 2.414 -3.650 0.162 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.386 -2.379 -1.414 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.909 -1.595 -1.784 1.00 0.00 H new ATOM 1542 N ALA A 59 2.843 -4.687 -2.762 1.00 0.00 N ATOM 1543 CA ALA A 59 2.997 -5.576 -3.911 1.00 0.00 C ATOM 1544 C ALA A 59 1.647 -5.914 -4.535 1.00 0.00 C ATOM 1545 O ALA A 59 0.611 -5.809 -3.889 1.00 0.00 O ATOM 1546 CB ALA A 59 3.683 -6.869 -3.482 1.00 0.00 C ATOM 0 H ALA A 59 2.975 -5.138 -1.857 1.00 0.00 H new ATOM 0 HA ALA A 59 3.605 -5.058 -4.652 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.794 -7.526 -4.345 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.667 -6.640 -3.072 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.080 -7.366 -2.723 1.00 0.00 H new ATOM 1552 N PRO A 60 1.637 -6.321 -5.778 1.00 0.00 N ATOM 1553 CA PRO A 60 0.377 -6.683 -6.484 1.00 0.00 C ATOM 1554 C PRO A 60 -0.199 -8.010 -5.997 1.00 0.00 C ATOM 1555 O PRO A 60 -1.391 -8.277 -6.154 1.00 0.00 O ATOM 1556 CB PRO A 60 0.795 -6.759 -7.952 1.00 0.00 C ATOM 1557 CG PRO A 60 2.244 -7.113 -7.927 1.00 0.00 C ATOM 1558 CD PRO A 60 2.817 -6.493 -6.647 1.00 0.00 C ATOM 0 HA PRO A 60 -0.418 -5.959 -6.305 1.00 0.00 H new ATOM 0 HB2 PRO A 60 0.215 -7.510 -8.488 1.00 0.00 H new ATOM 0 HB3 PRO A 60 0.630 -5.808 -8.458 1.00 0.00 H new ATOM 0 HG2 PRO A 60 2.380 -8.194 -7.930 1.00 0.00 H new ATOM 0 HG3 PRO A 60 2.754 -6.725 -8.809 1.00 0.00 H new ATOM 0 HD2 PRO A 60 3.561 -7.143 -6.187 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.307 -5.540 -6.849 1.00 0.00 H new ATOM 1566 N GLY A 61 0.658 -8.837 -5.410 1.00 0.00 N ATOM 1567 CA GLY A 61 0.227 -10.137 -4.906 1.00 0.00 C ATOM 1568 C GLY A 61 1.190 -11.232 -5.345 1.00 0.00 C ATOM 1569 O GLY A 61 0.876 -12.392 -5.129 1.00 0.00 O ATOM 1570 OXT GLY A 61 2.228 -10.896 -5.890 1.00 0.00 O ATOM 0 H GLY A 61 1.648 -8.634 -5.272 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.171 -10.110 -3.818 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.776 -10.360 -5.271 1.00 0.00 H new