USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 526 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B1054 THR OG1 : rot 180:sc= -0.757 USER MOD Set 1.2: B1057 GLN : amide:sc= -0.622 K(o=-1.4,f=-2.8!) USER MOD Set 2.1: B1053 MET CE :methyl -173:sc= -3.63! (180deg=-3.83) USER MOD Set 2.2: B1091 TYR OH : rot 180:sc= -0.226 USER MOD Single : A 48 ASN : amide:sc= -0.33 X(o=-0.33,f=-0.0021) USER MOD Single : B1058 MET CE :methyl 180:sc= -1.93 (180deg=-1.93) USER MOD Single : B1060 LYS NZ :NH3+ -160:sc= -0.0667 (180deg=-0.525) USER MOD Single : B1062 MET CE :methyl -124:sc= -2.61 (180deg=-3.93!) USER MOD Single : B1063 SER OG : rot 76:sc= 0.705 USER MOD Single : B1087 SER OG : rot 180:sc= 0 USER MOD Single : B1088 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B1090 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B1097 THR OG1 : rot 94:sc= 0.21 USER MOD Single : B1099 ASN : amide:sc= 1.13 K(o=1.1,f=0) USER MOD Single : B1100 THR OG1 : rot -34:sc= 0.298 USER MOD Single : B1101 SER OG : rot 40:sc= -0.761 USER MOD Single : B1102 CYS SG : rot 58:sc= 0.461 USER MOD Single : B1110 CYS SG : rot 77:sc= -1.52 USER MOD Single : B1115 HIS : no HD1:sc= -0.342 X(o=-0.34,f=-0.033) USER MOD Single : B1119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B1121 TYR OH : rot -151:sc= -2.25 USER MOD Single : B1122 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B1125 LYS NZ :NH3+ 176:sc= -0.116 (180deg=-0.17) USER MOD Single : B1126 SER OG : rot 76:sc= 0.192 USER MOD ----------------------------------------------------------------- ATOM 61 N MET B1053 -0.681 -7.939 12.487 1.00 0.00 N ATOM 62 CA MET B1053 -2.053 -7.926 12.001 1.00 0.00 C ATOM 63 C MET B1053 -2.184 -8.769 10.743 1.00 0.00 C ATOM 64 O MET B1053 -1.335 -8.716 9.863 1.00 0.00 O ATOM 65 CB MET B1053 -2.470 -6.493 11.690 1.00 0.00 C ATOM 66 CG MET B1053 -2.785 -5.752 12.988 1.00 0.00 C ATOM 67 SD MET B1053 -2.833 -3.970 12.661 1.00 0.00 S ATOM 68 CE MET B1053 -4.155 -3.984 11.423 1.00 0.00 C ATOM 0 HA MET B1053 -2.699 -8.343 12.774 1.00 0.00 H new ATOM 0 HB2 MET B1053 -1.672 -5.981 11.153 1.00 0.00 H new ATOM 0 HB3 MET B1053 -3.344 -6.492 11.039 1.00 0.00 H new ATOM 0 HG2 MET B1053 -3.742 -6.086 13.388 1.00 0.00 H new ATOM 0 HG3 MET B1053 -2.029 -5.975 13.741 1.00 0.00 H new ATOM 0 HE1 MET B1053 -4.261 -2.988 10.993 1.00 0.00 H new ATOM 0 HE2 MET B1053 -3.908 -4.695 10.635 1.00 0.00 H new ATOM 0 HE3 MET B1053 -5.093 -4.277 11.895 1.00 0.00 H new ATOM 78 N THR B1054 -3.257 -9.539 10.659 1.00 0.00 N ATOM 79 CA THR B1054 -3.484 -10.382 9.493 1.00 0.00 C ATOM 80 C THR B1054 -3.900 -9.527 8.296 1.00 0.00 C ATOM 81 O THR B1054 -4.318 -8.380 8.460 1.00 0.00 O ATOM 82 CB THR B1054 -4.570 -11.417 9.810 1.00 0.00 C ATOM 83 OG1 THR B1054 -5.816 -10.763 9.974 1.00 0.00 O ATOM 84 CG2 THR B1054 -4.206 -12.163 11.099 1.00 0.00 C ATOM 0 H THR B1054 -3.979 -9.599 11.377 1.00 0.00 H new ATOM 0 HA THR B1054 -2.559 -10.901 9.242 1.00 0.00 H new ATOM 0 HB THR B1054 -4.643 -12.129 8.988 1.00 0.00 H new ATOM 0 HG1 THR B1054 -6.509 -11.426 10.175 1.00 0.00 H new ATOM 0 HG21 THR B1054 -4.978 -12.899 11.324 1.00 0.00 H new ATOM 0 HG22 THR B1054 -3.250 -12.669 10.969 1.00 0.00 H new ATOM 0 HG23 THR B1054 -4.131 -11.452 11.922 1.00 0.00 H new ATOM 92 N PRO B1055 -3.787 -10.054 7.103 1.00 0.00 N ATOM 93 CA PRO B1055 -4.163 -9.305 5.865 1.00 0.00 C ATOM 94 C PRO B1055 -5.565 -8.709 5.965 1.00 0.00 C ATOM 95 O PRO B1055 -5.791 -7.559 5.585 1.00 0.00 O ATOM 96 CB PRO B1055 -4.114 -10.380 4.777 1.00 0.00 C ATOM 97 CG PRO B1055 -3.141 -11.396 5.277 1.00 0.00 C ATOM 98 CD PRO B1055 -3.284 -11.407 6.796 1.00 0.00 C ATOM 0 HA PRO B1055 -3.503 -8.459 5.675 1.00 0.00 H new ATOM 0 HB2 PRO B1055 -5.097 -10.822 4.615 1.00 0.00 H new ATOM 0 HB3 PRO B1055 -3.792 -9.961 3.824 1.00 0.00 H new ATOM 0 HG2 PRO B1055 -3.355 -12.379 4.858 1.00 0.00 H new ATOM 0 HG3 PRO B1055 -2.123 -11.139 4.983 1.00 0.00 H new ATOM 0 HD2 PRO B1055 -3.978 -12.179 7.128 1.00 0.00 H new ATOM 0 HD3 PRO B1055 -2.331 -11.602 7.288 1.00 0.00 H new ATOM 106 N GLU B1056 -6.502 -9.491 6.493 1.00 0.00 N ATOM 107 CA GLU B1056 -7.871 -9.016 6.648 1.00 0.00 C ATOM 108 C GLU B1056 -7.937 -7.902 7.688 1.00 0.00 C ATOM 109 O GLU B1056 -8.638 -6.910 7.502 1.00 0.00 O ATOM 110 CB GLU B1056 -8.787 -10.167 7.067 1.00 0.00 C ATOM 111 CG GLU B1056 -8.936 -11.147 5.903 1.00 0.00 C ATOM 112 CD GLU B1056 -9.759 -12.353 6.339 1.00 0.00 C ATOM 113 OE1 GLU B1056 -10.020 -12.469 7.525 1.00 0.00 O ATOM 114 OE2 GLU B1056 -10.117 -13.144 5.482 1.00 0.00 O ATOM 0 H GLU B1056 -6.341 -10.445 6.817 1.00 0.00 H new ATOM 0 HA GLU B1056 -8.207 -8.623 5.689 1.00 0.00 H new ATOM 0 HB2 GLU B1056 -8.373 -10.678 7.936 1.00 0.00 H new ATOM 0 HB3 GLU B1056 -9.764 -9.781 7.359 1.00 0.00 H new ATOM 0 HG2 GLU B1056 -9.419 -10.652 5.060 1.00 0.00 H new ATOM 0 HG3 GLU B1056 -7.953 -11.471 5.562 1.00 0.00 H new ATOM 121 N GLN B1057 -7.198 -8.068 8.782 1.00 0.00 N ATOM 122 CA GLN B1057 -7.190 -7.060 9.836 1.00 0.00 C ATOM 123 C GLN B1057 -6.637 -5.742 9.327 1.00 0.00 C ATOM 124 O GLN B1057 -7.176 -4.676 9.629 1.00 0.00 O ATOM 125 CB GLN B1057 -6.350 -7.538 11.017 1.00 0.00 C ATOM 126 CG GLN B1057 -7.106 -8.631 11.764 1.00 0.00 C ATOM 127 CD GLN B1057 -6.286 -9.099 12.960 1.00 0.00 C ATOM 128 OE1 GLN B1057 -5.774 -10.218 12.966 1.00 0.00 O ATOM 129 NE2 GLN B1057 -6.117 -8.294 13.973 1.00 0.00 N ATOM 0 H GLN B1057 -6.605 -8.879 8.960 1.00 0.00 H new ATOM 0 HA GLN B1057 -8.220 -6.906 10.158 1.00 0.00 H new ATOM 0 HB2 GLN B1057 -5.391 -7.919 10.665 1.00 0.00 H new ATOM 0 HB3 GLN B1057 -6.136 -6.705 11.687 1.00 0.00 H new ATOM 0 HG2 GLN B1057 -8.072 -8.254 12.099 1.00 0.00 H new ATOM 0 HG3 GLN B1057 -7.305 -9.470 11.097 1.00 0.00 H new ATOM 0 HE21 GLN B1057 -6.543 -7.367 13.965 1.00 0.00 H new ATOM 0 HE22 GLN B1057 -5.559 -8.592 14.773 1.00 0.00 H new ATOM 138 N MET B1058 -5.566 -5.811 8.548 1.00 0.00 N ATOM 139 CA MET B1058 -4.973 -4.601 8.008 1.00 0.00 C ATOM 140 C MET B1058 -5.953 -3.892 7.086 1.00 0.00 C ATOM 141 O MET B1058 -6.082 -2.667 7.124 1.00 0.00 O ATOM 142 CB MET B1058 -3.693 -4.924 7.236 1.00 0.00 C ATOM 143 CG MET B1058 -2.592 -5.340 8.214 1.00 0.00 C ATOM 144 SD MET B1058 -1.001 -5.402 7.349 1.00 0.00 S ATOM 145 CE MET B1058 -1.321 -6.874 6.352 1.00 0.00 C ATOM 0 H MET B1058 -5.098 -6.677 8.281 1.00 0.00 H new ATOM 0 HA MET B1058 -4.729 -3.946 8.844 1.00 0.00 H new ATOM 0 HB2 MET B1058 -3.880 -5.726 6.522 1.00 0.00 H new ATOM 0 HB3 MET B1058 -3.373 -4.054 6.662 1.00 0.00 H new ATOM 0 HG2 MET B1058 -2.540 -4.632 9.041 1.00 0.00 H new ATOM 0 HG3 MET B1058 -2.822 -6.315 8.643 1.00 0.00 H new ATOM 0 HE1 MET B1058 -0.450 -7.091 5.734 1.00 0.00 H new ATOM 0 HE2 MET B1058 -1.521 -7.721 7.008 1.00 0.00 H new ATOM 0 HE3 MET B1058 -2.186 -6.699 5.712 1.00 0.00 H new ATOM 155 N ALA B1059 -6.646 -4.666 6.259 1.00 0.00 N ATOM 156 CA ALA B1059 -7.607 -4.085 5.333 1.00 0.00 C ATOM 157 C ALA B1059 -8.761 -3.426 6.077 1.00 0.00 C ATOM 158 O ALA B1059 -9.205 -2.337 5.712 1.00 0.00 O ATOM 159 CB ALA B1059 -8.151 -5.160 4.398 1.00 0.00 C ATOM 0 H ALA B1059 -6.562 -5.681 6.211 1.00 0.00 H new ATOM 0 HA ALA B1059 -7.091 -3.322 4.751 1.00 0.00 H new ATOM 0 HB1 ALA B1059 -8.869 -4.714 3.710 1.00 0.00 H new ATOM 0 HB2 ALA B1059 -7.330 -5.599 3.832 1.00 0.00 H new ATOM 0 HB3 ALA B1059 -8.644 -5.936 4.984 1.00 0.00 H new ATOM 165 N LYS B1060 -9.246 -4.094 7.117 1.00 0.00 N ATOM 166 CA LYS B1060 -10.353 -3.562 7.900 1.00 0.00 C ATOM 167 C LYS B1060 -9.967 -2.245 8.557 1.00 0.00 C ATOM 168 O LYS B1060 -10.755 -1.299 8.578 1.00 0.00 O ATOM 169 CB LYS B1060 -10.766 -4.572 8.970 1.00 0.00 C ATOM 170 CG LYS B1060 -11.459 -5.767 8.311 1.00 0.00 C ATOM 171 CD LYS B1060 -11.813 -6.803 9.380 1.00 0.00 C ATOM 172 CE LYS B1060 -12.490 -8.007 8.725 1.00 0.00 C ATOM 173 NZ LYS B1060 -13.772 -7.574 8.100 1.00 0.00 N ATOM 0 H LYS B1060 -8.894 -4.997 7.435 1.00 0.00 H new ATOM 0 HA LYS B1060 -11.193 -3.381 7.229 1.00 0.00 H new ATOM 0 HB2 LYS B1060 -9.890 -4.908 9.524 1.00 0.00 H new ATOM 0 HB3 LYS B1060 -11.437 -4.101 9.689 1.00 0.00 H new ATOM 0 HG2 LYS B1060 -12.361 -5.439 7.794 1.00 0.00 H new ATOM 0 HG3 LYS B1060 -10.806 -6.212 7.560 1.00 0.00 H new ATOM 0 HD2 LYS B1060 -10.912 -7.121 9.905 1.00 0.00 H new ATOM 0 HD3 LYS B1060 -12.476 -6.361 10.124 1.00 0.00 H new ATOM 0 HE2 LYS B1060 -11.834 -8.442 7.971 1.00 0.00 H new ATOM 0 HE3 LYS B1060 -12.678 -8.781 9.469 1.00 0.00 H new ATOM 0 HZ1 LYS B1060 -14.386 -8.401 7.958 1.00 0.00 H new ATOM 0 HZ2 LYS B1060 -14.249 -6.891 8.723 1.00 0.00 H new ATOM 0 HZ3 LYS B1060 -13.577 -7.127 7.182 1.00 0.00 H new ATOM 187 N GLU B1061 -8.752 -2.178 9.087 1.00 0.00 N ATOM 188 CA GLU B1061 -8.298 -0.957 9.729 1.00 0.00 C ATOM 189 C GLU B1061 -8.218 0.183 8.717 1.00 0.00 C ATOM 190 O GLU B1061 -8.635 1.311 9.000 1.00 0.00 O ATOM 191 CB GLU B1061 -6.921 -1.192 10.357 1.00 0.00 C ATOM 192 CG GLU B1061 -7.052 -2.113 11.576 1.00 0.00 C ATOM 193 CD GLU B1061 -7.934 -1.461 12.636 1.00 0.00 C ATOM 194 OE1 GLU B1061 -7.657 -0.326 12.990 1.00 0.00 O ATOM 195 OE2 GLU B1061 -8.874 -2.102 13.076 1.00 0.00 O ATOM 0 H GLU B1061 -8.076 -2.942 9.085 1.00 0.00 H new ATOM 0 HA GLU B1061 -9.012 -0.681 10.505 1.00 0.00 H new ATOM 0 HB2 GLU B1061 -6.249 -1.638 9.624 1.00 0.00 H new ATOM 0 HB3 GLU B1061 -6.481 -0.240 10.655 1.00 0.00 H new ATOM 0 HG2 GLU B1061 -7.480 -3.069 11.274 1.00 0.00 H new ATOM 0 HG3 GLU B1061 -6.066 -2.322 11.991 1.00 0.00 H new ATOM 202 N MET B1062 -7.697 -0.112 7.529 1.00 0.00 N ATOM 203 CA MET B1062 -7.587 0.913 6.501 1.00 0.00 C ATOM 204 C MET B1062 -8.967 1.376 6.053 1.00 0.00 C ATOM 205 O MET B1062 -9.187 2.562 5.813 1.00 0.00 O ATOM 206 CB MET B1062 -6.795 0.395 5.300 1.00 0.00 C ATOM 207 CG MET B1062 -5.331 0.218 5.708 1.00 0.00 C ATOM 208 SD MET B1062 -4.292 0.078 4.230 1.00 0.00 S ATOM 209 CE MET B1062 -4.844 -1.559 3.709 1.00 0.00 C ATOM 0 H MET B1062 -7.351 -1.033 7.260 1.00 0.00 H new ATOM 0 HA MET B1062 -7.054 1.762 6.930 1.00 0.00 H new ATOM 0 HB2 MET B1062 -7.208 -0.554 4.958 1.00 0.00 H new ATOM 0 HB3 MET B1062 -6.872 1.095 4.468 1.00 0.00 H new ATOM 0 HG2 MET B1062 -5.008 1.066 6.312 1.00 0.00 H new ATOM 0 HG3 MET B1062 -5.222 -0.673 6.326 1.00 0.00 H new ATOM 0 HE1 MET B1062 -3.983 -2.222 3.620 1.00 0.00 H new ATOM 0 HE2 MET B1062 -5.537 -1.961 4.448 1.00 0.00 H new ATOM 0 HE3 MET B1062 -5.345 -1.484 2.744 1.00 0.00 H new ATOM 219 N SER B1063 -9.891 0.432 5.942 1.00 0.00 N ATOM 220 CA SER B1063 -11.245 0.756 5.518 1.00 0.00 C ATOM 221 C SER B1063 -11.899 1.703 6.515 1.00 0.00 C ATOM 222 O SER B1063 -12.592 2.644 6.129 1.00 0.00 O ATOM 223 CB SER B1063 -12.071 -0.524 5.398 1.00 0.00 C ATOM 224 OG SER B1063 -11.543 -1.324 4.347 1.00 0.00 O ATOM 0 H SER B1063 -9.730 -0.556 6.138 1.00 0.00 H new ATOM 0 HA SER B1063 -11.201 1.247 4.546 1.00 0.00 H new ATOM 0 HB2 SER B1063 -12.048 -1.076 6.338 1.00 0.00 H new ATOM 0 HB3 SER B1063 -13.114 -0.280 5.197 1.00 0.00 H new ATOM 0 HG SER B1063 -10.717 -1.756 4.648 1.00 0.00 H new ATOM 230 N GLU B1064 -11.670 1.453 7.796 1.00 0.00 N ATOM 231 CA GLU B1064 -12.238 2.297 8.836 1.00 0.00 C ATOM 232 C GLU B1064 -11.712 3.723 8.718 1.00 0.00 C ATOM 233 O GLU B1064 -12.468 4.689 8.854 1.00 0.00 O ATOM 234 CB GLU B1064 -11.875 1.738 10.211 1.00 0.00 C ATOM 235 CG GLU B1064 -12.655 0.446 10.468 1.00 0.00 C ATOM 236 CD GLU B1064 -12.164 -0.220 11.750 1.00 0.00 C ATOM 237 OE1 GLU B1064 -11.112 0.172 12.231 1.00 0.00 O ATOM 238 OE2 GLU B1064 -12.845 -1.108 12.232 1.00 0.00 O ATOM 0 H GLU B1064 -11.100 0.679 8.138 1.00 0.00 H new ATOM 0 HA GLU B1064 -13.321 2.309 8.716 1.00 0.00 H new ATOM 0 HB2 GLU B1064 -10.804 1.543 10.263 1.00 0.00 H new ATOM 0 HB3 GLU B1064 -12.104 2.472 10.984 1.00 0.00 H new ATOM 0 HG2 GLU B1064 -13.720 0.665 10.548 1.00 0.00 H new ATOM 0 HG3 GLU B1064 -12.532 -0.235 9.626 1.00 0.00 H new ATOM 559 N LEU B1086 3.905 6.482 -1.942 1.00 0.00 N ATOM 560 CA LEU B1086 3.772 5.881 -0.620 1.00 0.00 C ATOM 561 C LEU B1086 3.430 4.394 -0.728 1.00 0.00 C ATOM 562 O LEU B1086 3.216 3.725 0.285 1.00 0.00 O ATOM 563 CB LEU B1086 2.670 6.601 0.158 1.00 0.00 C ATOM 564 CG LEU B1086 2.921 8.109 0.106 1.00 0.00 C ATOM 565 CD1 LEU B1086 1.784 8.847 0.806 1.00 0.00 C ATOM 566 CD2 LEU B1086 4.240 8.447 0.803 1.00 0.00 C ATOM 0 HA LEU B1086 4.723 5.980 -0.098 1.00 0.00 H new ATOM 0 HB2 LEU B1086 1.695 6.368 -0.269 1.00 0.00 H new ATOM 0 HB3 LEU B1086 2.655 6.258 1.193 1.00 0.00 H new ATOM 0 HG LEU B1086 2.973 8.418 -0.938 1.00 0.00 H new ATOM 0 HD11 LEU B1086 1.968 9.921 0.766 1.00 0.00 H new ATOM 0 HD12 LEU B1086 0.842 8.621 0.306 1.00 0.00 H new ATOM 0 HD13 LEU B1086 1.729 8.527 1.846 1.00 0.00 H new ATOM 0 HD21 LEU B1086 4.409 9.523 0.760 1.00 0.00 H new ATOM 0 HD22 LEU B1086 4.193 8.128 1.844 1.00 0.00 H new ATOM 0 HD23 LEU B1086 5.059 7.931 0.302 1.00 0.00 H new ATOM 578 N SER B1087 3.390 3.877 -1.952 1.00 0.00 N ATOM 579 CA SER B1087 3.083 2.469 -2.166 1.00 0.00 C ATOM 580 C SER B1087 4.233 1.595 -1.674 1.00 0.00 C ATOM 581 O SER B1087 4.103 0.375 -1.570 1.00 0.00 O ATOM 582 CB SER B1087 2.832 2.213 -3.651 1.00 0.00 C ATOM 583 OG SER B1087 4.030 2.452 -4.377 1.00 0.00 O ATOM 0 H SER B1087 3.565 4.408 -2.805 1.00 0.00 H new ATOM 0 HA SER B1087 2.185 2.215 -1.602 1.00 0.00 H new ATOM 0 HB2 SER B1087 2.499 1.186 -3.804 1.00 0.00 H new ATOM 0 HB3 SER B1087 2.037 2.864 -4.015 1.00 0.00 H new ATOM 0 HG SER B1087 3.873 2.287 -5.330 1.00 0.00 H new ATOM 589 N LYS B1088 5.360 2.229 -1.364 1.00 0.00 N ATOM 590 CA LYS B1088 6.518 1.497 -0.873 1.00 0.00 C ATOM 591 C LYS B1088 6.600 1.568 0.653 1.00 0.00 C ATOM 592 O LYS B1088 7.496 0.982 1.259 1.00 0.00 O ATOM 593 CB LYS B1088 7.794 2.073 -1.483 1.00 0.00 C ATOM 594 CG LYS B1088 7.742 1.919 -3.003 1.00 0.00 C ATOM 595 CD LYS B1088 9.074 2.359 -3.610 1.00 0.00 C ATOM 596 CE LYS B1088 9.229 3.875 -3.460 1.00 0.00 C ATOM 597 NZ LYS B1088 10.483 4.313 -4.133 1.00 0.00 N ATOM 0 H LYS B1088 5.494 3.237 -1.444 1.00 0.00 H new ATOM 0 HA LYS B1088 6.413 0.453 -1.167 1.00 0.00 H new ATOM 0 HB2 LYS B1088 7.896 3.125 -1.216 1.00 0.00 H new ATOM 0 HB3 LYS B1088 8.667 1.557 -1.083 1.00 0.00 H new ATOM 0 HG2 LYS B1088 7.536 0.882 -3.266 1.00 0.00 H new ATOM 0 HG3 LYS B1088 6.929 2.519 -3.412 1.00 0.00 H new ATOM 0 HD2 LYS B1088 9.899 1.848 -3.113 1.00 0.00 H new ATOM 0 HD3 LYS B1088 9.115 2.081 -4.663 1.00 0.00 H new ATOM 0 HE2 LYS B1088 8.371 4.385 -3.898 1.00 0.00 H new ATOM 0 HE3 LYS B1088 9.256 4.146 -2.405 1.00 0.00 H new ATOM 0 HZ1 LYS B1088 10.590 5.343 -4.032 1.00 0.00 H new ATOM 0 HZ2 LYS B1088 11.297 3.836 -3.695 1.00 0.00 H new ATOM 0 HZ3 LYS B1088 10.439 4.067 -5.143 1.00 0.00 H new ATOM 611 N TRP B1089 5.665 2.291 1.270 1.00 0.00 N ATOM 612 CA TRP B1089 5.655 2.427 2.722 1.00 0.00 C ATOM 613 C TRP B1089 4.815 1.329 3.361 1.00 0.00 C ATOM 614 O TRP B1089 3.706 1.041 2.914 1.00 0.00 O ATOM 615 CB TRP B1089 5.087 3.794 3.113 1.00 0.00 C ATOM 616 CG TRP B1089 6.113 4.851 2.863 1.00 0.00 C ATOM 617 CD1 TRP B1089 6.928 4.902 1.786 1.00 0.00 C ATOM 618 CD2 TRP B1089 6.450 6.005 3.687 1.00 0.00 C ATOM 619 NE1 TRP B1089 7.746 6.007 1.896 1.00 0.00 N ATOM 620 CE2 TRP B1089 7.489 6.723 3.048 1.00 0.00 C ATOM 621 CE3 TRP B1089 5.962 6.494 4.913 1.00 0.00 C ATOM 622 CZ2 TRP B1089 8.026 7.884 3.606 1.00 0.00 C ATOM 623 CZ3 TRP B1089 6.501 7.665 5.476 1.00 0.00 C ATOM 624 CH2 TRP B1089 7.530 8.357 4.823 1.00 0.00 C ATOM 0 H TRP B1089 4.913 2.786 0.791 1.00 0.00 H new ATOM 0 HA TRP B1089 6.680 2.339 3.081 1.00 0.00 H new ATOM 0 HB2 TRP B1089 4.186 4.003 2.536 1.00 0.00 H new ATOM 0 HB3 TRP B1089 4.800 3.793 4.164 1.00 0.00 H new ATOM 0 HD1 TRP B1089 6.937 4.193 0.972 1.00 0.00 H new ATOM 0 HE1 TRP B1089 8.455 6.264 1.209 1.00 0.00 H new ATOM 0 HE3 TRP B1089 5.170 5.968 5.424 1.00 0.00 H new ATOM 0 HZ2 TRP B1089 8.820 8.413 3.100 1.00 0.00 H new ATOM 0 HZ3 TRP B1089 6.120 8.033 6.417 1.00 0.00 H new ATOM 0 HH2 TRP B1089 7.939 9.256 5.261 1.00 0.00 H new ATOM 635 N LYS B1090 5.347 0.726 4.417 1.00 0.00 N ATOM 636 CA LYS B1090 4.634 -0.335 5.118 1.00 0.00 C ATOM 637 C LYS B1090 3.336 0.184 5.712 1.00 0.00 C ATOM 638 O LYS B1090 3.155 1.388 5.877 1.00 0.00 O ATOM 639 CB LYS B1090 5.510 -0.902 6.230 1.00 0.00 C ATOM 640 CG LYS B1090 6.647 -1.697 5.603 1.00 0.00 C ATOM 641 CD LYS B1090 7.579 -2.201 6.702 1.00 0.00 C ATOM 642 CE LYS B1090 8.728 -3.009 6.087 1.00 0.00 C ATOM 643 NZ LYS B1090 9.653 -3.467 7.164 1.00 0.00 N ATOM 0 H LYS B1090 6.263 0.951 4.805 1.00 0.00 H new ATOM 0 HA LYS B1090 4.399 -1.120 4.399 1.00 0.00 H new ATOM 0 HB2 LYS B1090 5.908 -0.095 6.845 1.00 0.00 H new ATOM 0 HB3 LYS B1090 4.920 -1.541 6.886 1.00 0.00 H new ATOM 0 HG2 LYS B1090 6.248 -2.538 5.035 1.00 0.00 H new ATOM 0 HG3 LYS B1090 7.199 -1.072 4.901 1.00 0.00 H new ATOM 0 HD2 LYS B1090 7.978 -1.358 7.267 1.00 0.00 H new ATOM 0 HD3 LYS B1090 7.023 -2.821 7.405 1.00 0.00 H new ATOM 0 HE2 LYS B1090 8.332 -3.868 5.545 1.00 0.00 H new ATOM 0 HE3 LYS B1090 9.269 -2.398 5.365 1.00 0.00 H new ATOM 0 HZ1 LYS B1090 10.431 -4.015 6.744 1.00 0.00 H new ATOM 0 HZ2 LYS B1090 10.041 -2.641 7.663 1.00 0.00 H new ATOM 0 HZ3 LYS B1090 9.133 -4.065 7.837 1.00 0.00 H new ATOM 657 N TYR B1091 2.436 -0.735 6.035 1.00 0.00 N ATOM 658 CA TYR B1091 1.158 -0.361 6.622 1.00 0.00 C ATOM 659 C TYR B1091 1.386 0.445 7.887 1.00 0.00 C ATOM 660 O TYR B1091 0.780 1.497 8.085 1.00 0.00 O ATOM 661 CB TYR B1091 0.345 -1.616 6.951 1.00 0.00 C ATOM 662 CG TYR B1091 -0.836 -1.243 7.820 1.00 0.00 C ATOM 663 CD1 TYR B1091 -1.929 -0.558 7.276 1.00 0.00 C ATOM 664 CD2 TYR B1091 -0.829 -1.580 9.179 1.00 0.00 C ATOM 665 CE1 TYR B1091 -3.016 -0.217 8.091 1.00 0.00 C ATOM 666 CE2 TYR B1091 -1.915 -1.239 9.993 1.00 0.00 C ATOM 667 CZ TYR B1091 -3.008 -0.556 9.450 1.00 0.00 C ATOM 668 OH TYR B1091 -4.077 -0.215 10.253 1.00 0.00 O ATOM 0 H TYR B1091 2.566 -1.738 5.901 1.00 0.00 H new ATOM 0 HA TYR B1091 0.605 0.245 5.905 1.00 0.00 H new ATOM 0 HB2 TYR B1091 -0.002 -2.088 6.032 1.00 0.00 H new ATOM 0 HB3 TYR B1091 0.973 -2.343 7.466 1.00 0.00 H new ATOM 0 HD1 TYR B1091 -1.934 -0.293 6.229 1.00 0.00 H new ATOM 0 HD2 TYR B1091 0.016 -2.104 9.600 1.00 0.00 H new ATOM 0 HE1 TYR B1091 -3.861 0.308 7.671 1.00 0.00 H new ATOM 0 HE2 TYR B1091 -1.909 -1.503 11.040 1.00 0.00 H new ATOM 0 HH TYR B1091 -3.911 -0.525 11.168 1.00 0.00 H new ATOM 678 N ALA B1092 2.269 -0.052 8.739 1.00 0.00 N ATOM 679 CA ALA B1092 2.569 0.643 9.983 1.00 0.00 C ATOM 680 C ALA B1092 3.172 2.016 9.696 1.00 0.00 C ATOM 681 O ALA B1092 2.865 2.994 10.376 1.00 0.00 O ATOM 682 CB ALA B1092 3.537 -0.181 10.831 1.00 0.00 C ATOM 0 H ALA B1092 2.784 -0.921 8.597 1.00 0.00 H new ATOM 0 HA ALA B1092 1.638 0.776 10.535 1.00 0.00 H new ATOM 0 HB1 ALA B1092 3.752 0.351 11.758 1.00 0.00 H new ATOM 0 HB2 ALA B1092 3.087 -1.146 11.063 1.00 0.00 H new ATOM 0 HB3 ALA B1092 4.464 -0.336 10.278 1.00 0.00 H new ATOM 688 N GLU B1093 4.040 2.074 8.688 1.00 0.00 N ATOM 689 CA GLU B1093 4.693 3.328 8.321 1.00 0.00 C ATOM 690 C GLU B1093 3.671 4.358 7.848 1.00 0.00 C ATOM 691 O GLU B1093 3.717 5.516 8.256 1.00 0.00 O ATOM 692 CB GLU B1093 5.716 3.075 7.210 1.00 0.00 C ATOM 693 CG GLU B1093 6.882 2.250 7.761 1.00 0.00 C ATOM 694 CD GLU B1093 7.650 3.059 8.799 1.00 0.00 C ATOM 695 OE1 GLU B1093 7.586 4.277 8.739 1.00 0.00 O ATOM 696 OE2 GLU B1093 8.292 2.450 9.640 1.00 0.00 O ATOM 0 H GLU B1093 4.306 1.273 8.115 1.00 0.00 H new ATOM 0 HA GLU B1093 5.198 3.721 9.204 1.00 0.00 H new ATOM 0 HB2 GLU B1093 5.244 2.547 6.381 1.00 0.00 H new ATOM 0 HB3 GLU B1093 6.082 4.023 6.817 1.00 0.00 H new ATOM 0 HG2 GLU B1093 6.507 1.330 8.210 1.00 0.00 H new ATOM 0 HG3 GLU B1093 7.548 1.960 6.949 1.00 0.00 H new ATOM 703 N LEU B1094 2.737 3.930 7.003 1.00 0.00 N ATOM 704 CA LEU B1094 1.707 4.830 6.508 1.00 0.00 C ATOM 705 C LEU B1094 0.793 5.274 7.636 1.00 0.00 C ATOM 706 O LEU B1094 0.384 6.430 7.698 1.00 0.00 O ATOM 707 CB LEU B1094 0.895 4.149 5.407 1.00 0.00 C ATOM 708 CG LEU B1094 1.730 4.100 4.131 1.00 0.00 C ATOM 709 CD1 LEU B1094 1.096 3.133 3.127 1.00 0.00 C ATOM 710 CD2 LEU B1094 1.768 5.500 3.515 1.00 0.00 C ATOM 0 H LEU B1094 2.674 2.975 6.651 1.00 0.00 H new ATOM 0 HA LEU B1094 2.193 5.713 6.093 1.00 0.00 H new ATOM 0 HB2 LEU B1094 0.617 3.141 5.714 1.00 0.00 H new ATOM 0 HB3 LEU B1094 -0.031 4.695 5.230 1.00 0.00 H new ATOM 0 HG LEU B1094 2.738 3.760 4.370 1.00 0.00 H new ATOM 0 HD11 LEU B1094 1.699 3.104 2.219 1.00 0.00 H new ATOM 0 HD12 LEU B1094 1.049 2.135 3.563 1.00 0.00 H new ATOM 0 HD13 LEU B1094 0.089 3.470 2.883 1.00 0.00 H new ATOM 0 HD21 LEU B1094 2.362 5.480 2.601 1.00 0.00 H new ATOM 0 HD22 LEU B1094 0.753 5.822 3.281 1.00 0.00 H new ATOM 0 HD23 LEU B1094 2.216 6.197 4.223 1.00 0.00 H new ATOM 722 N ARG B1095 0.472 4.346 8.522 1.00 0.00 N ATOM 723 CA ARG B1095 -0.399 4.662 9.635 1.00 0.00 C ATOM 724 C ARG B1095 0.221 5.758 10.488 1.00 0.00 C ATOM 725 O ARG B1095 -0.427 6.756 10.808 1.00 0.00 O ATOM 726 CB ARG B1095 -0.618 3.403 10.473 1.00 0.00 C ATOM 727 CG ARG B1095 -1.700 3.669 11.523 1.00 0.00 C ATOM 728 CD ARG B1095 -1.060 4.027 12.865 1.00 0.00 C ATOM 729 NE ARG B1095 -0.234 2.923 13.335 1.00 0.00 N ATOM 730 CZ ARG B1095 -0.770 1.831 13.887 1.00 0.00 C ATOM 731 NH1 ARG B1095 -2.067 1.716 14.027 1.00 0.00 N ATOM 732 NH2 ARG B1095 0.008 0.867 14.289 1.00 0.00 N ATOM 0 H ARG B1095 0.798 3.380 8.492 1.00 0.00 H new ATOM 0 HA ARG B1095 -1.358 5.018 9.258 1.00 0.00 H new ATOM 0 HB2 ARG B1095 -0.915 2.574 9.831 1.00 0.00 H new ATOM 0 HB3 ARG B1095 0.312 3.111 10.960 1.00 0.00 H new ATOM 0 HG2 ARG B1095 -2.346 4.482 11.192 1.00 0.00 H new ATOM 0 HG3 ARG B1095 -2.331 2.787 11.637 1.00 0.00 H new ATOM 0 HD2 ARG B1095 -0.453 4.926 12.759 1.00 0.00 H new ATOM 0 HD3 ARG B1095 -1.835 4.250 13.599 1.00 0.00 H new ATOM 0 HE ARG B1095 0.780 2.985 13.240 1.00 0.00 H new ATOM 0 HH11 ARG B1095 -2.682 2.466 13.713 1.00 0.00 H new ATOM 0 HH12 ARG B1095 -2.462 0.876 14.450 1.00 0.00 H new ATOM 0 HH21 ARG B1095 1.019 0.949 14.181 1.00 0.00 H new ATOM 0 HH22 ARG B1095 -0.394 0.030 14.711 1.00 0.00 H new ATOM 746 N ASP B1096 1.490 5.576 10.832 1.00 0.00 N ATOM 747 CA ASP B1096 2.202 6.562 11.630 1.00 0.00 C ATOM 748 C ASP B1096 2.329 7.869 10.862 1.00 0.00 C ATOM 749 O ASP B1096 2.231 8.951 11.440 1.00 0.00 O ATOM 750 CB ASP B1096 3.589 6.043 12.013 1.00 0.00 C ATOM 751 CG ASP B1096 3.460 4.940 13.060 1.00 0.00 C ATOM 752 OD1 ASP B1096 2.381 4.798 13.612 1.00 0.00 O ATOM 753 OD2 ASP B1096 4.441 4.255 13.293 1.00 0.00 O ATOM 0 H ASP B1096 2.043 4.759 10.572 1.00 0.00 H new ATOM 0 HA ASP B1096 1.633 6.741 12.542 1.00 0.00 H new ATOM 0 HB2 ASP B1096 4.100 5.660 11.130 1.00 0.00 H new ATOM 0 HB3 ASP B1096 4.197 6.859 12.404 1.00 0.00 H new ATOM 758 N THR B1097 2.554 7.766 9.556 1.00 0.00 N ATOM 759 CA THR B1097 2.700 8.955 8.733 1.00 0.00 C ATOM 760 C THR B1097 1.433 9.798 8.786 1.00 0.00 C ATOM 761 O THR B1097 1.495 11.014 8.917 1.00 0.00 O ATOM 762 CB THR B1097 2.987 8.552 7.292 1.00 0.00 C ATOM 763 OG1 THR B1097 4.189 7.800 7.250 1.00 0.00 O ATOM 764 CG2 THR B1097 3.140 9.811 6.439 1.00 0.00 C ATOM 0 H THR B1097 2.638 6.883 9.053 1.00 0.00 H new ATOM 0 HA THR B1097 3.531 9.546 9.118 1.00 0.00 H new ATOM 0 HB THR B1097 2.166 7.948 6.905 1.00 0.00 H new ATOM 0 HG1 THR B1097 3.978 6.844 7.293 1.00 0.00 H new ATOM 0 HG21 THR B1097 3.346 9.528 5.407 1.00 0.00 H new ATOM 0 HG22 THR B1097 2.219 10.392 6.480 1.00 0.00 H new ATOM 0 HG23 THR B1097 3.965 10.412 6.822 1.00 0.00 H new ATOM 772 N ILE B1098 0.281 9.148 8.673 1.00 0.00 N ATOM 773 CA ILE B1098 -0.991 9.862 8.704 1.00 0.00 C ATOM 774 C ILE B1098 -1.187 10.574 10.042 1.00 0.00 C ATOM 775 O ILE B1098 -1.567 11.744 10.082 1.00 0.00 O ATOM 776 CB ILE B1098 -2.139 8.879 8.485 1.00 0.00 C ATOM 777 CG1 ILE B1098 -2.064 8.342 7.062 1.00 0.00 C ATOM 778 CG2 ILE B1098 -3.476 9.592 8.687 1.00 0.00 C ATOM 779 CD1 ILE B1098 -3.037 7.173 6.902 1.00 0.00 C ATOM 0 H ILE B1098 0.200 8.137 8.560 1.00 0.00 H new ATOM 0 HA ILE B1098 -0.982 10.608 7.909 1.00 0.00 H new ATOM 0 HB ILE B1098 -2.059 8.059 9.198 1.00 0.00 H new ATOM 0 HG12 ILE B1098 -2.309 9.132 6.351 1.00 0.00 H new ATOM 0 HG13 ILE B1098 -1.048 8.016 6.839 1.00 0.00 H new ATOM 0 HG21 ILE B1098 -4.292 8.887 8.530 1.00 0.00 H new ATOM 0 HG22 ILE B1098 -3.528 9.987 9.702 1.00 0.00 H new ATOM 0 HG23 ILE B1098 -3.563 10.412 7.974 1.00 0.00 H new ATOM 0 HD11 ILE B1098 -2.982 6.790 5.883 1.00 0.00 H new ATOM 0 HD12 ILE B1098 -2.772 6.381 7.602 1.00 0.00 H new ATOM 0 HD13 ILE B1098 -4.052 7.514 7.107 1.00 0.00 H new ATOM 791 N ASN B1099 -0.928 9.858 11.132 1.00 0.00 N ATOM 792 CA ASN B1099 -1.095 10.430 12.464 1.00 0.00 C ATOM 793 C ASN B1099 -0.174 11.626 12.666 1.00 0.00 C ATOM 794 O ASN B1099 -0.562 12.621 13.281 1.00 0.00 O ATOM 795 CB ASN B1099 -0.794 9.368 13.520 1.00 0.00 C ATOM 796 CG ASN B1099 -2.003 8.456 13.697 1.00 0.00 C ATOM 797 OD1 ASN B1099 -2.827 8.685 14.582 1.00 0.00 O ATOM 798 ND2 ASN B1099 -2.184 7.459 12.873 1.00 0.00 N ATOM 0 H ASN B1099 -0.605 8.891 11.121 1.00 0.00 H new ATOM 0 HA ASN B1099 -2.126 10.770 12.564 1.00 0.00 H new ATOM 0 HB2 ASN B1099 0.075 8.781 13.221 1.00 0.00 H new ATOM 0 HB3 ASN B1099 -0.545 9.845 14.468 1.00 0.00 H new ATOM 0 HD21 ASN B1099 -3.010 6.867 12.962 1.00 0.00 H new ATOM 0 HD22 ASN B1099 -1.499 7.272 12.141 1.00 0.00 H new ATOM 805 N THR B1100 1.041 11.528 12.145 1.00 0.00 N ATOM 806 CA THR B1100 2.001 12.615 12.281 1.00 0.00 C ATOM 807 C THR B1100 1.914 13.583 11.098 1.00 0.00 C ATOM 808 O THR B1100 2.629 14.583 11.056 1.00 0.00 O ATOM 809 CB THR B1100 3.416 12.044 12.381 1.00 0.00 C ATOM 810 OG1 THR B1100 4.306 13.057 12.829 1.00 0.00 O ATOM 811 CG2 THR B1100 3.859 11.538 11.010 1.00 0.00 C ATOM 0 H THR B1100 1.383 10.717 11.630 1.00 0.00 H new ATOM 0 HA THR B1100 1.763 13.168 13.190 1.00 0.00 H new ATOM 0 HB THR B1100 3.426 11.217 13.091 1.00 0.00 H new ATOM 0 HG1 THR B1100 4.023 13.924 12.469 1.00 0.00 H new ATOM 0 HG21 THR B1100 4.868 11.131 11.081 1.00 0.00 H new ATOM 0 HG22 THR B1100 3.176 10.759 10.672 1.00 0.00 H new ATOM 0 HG23 THR B1100 3.850 12.363 10.297 1.00 0.00 H new ATOM 819 N SER B1101 1.047 13.281 10.135 1.00 0.00 N ATOM 820 CA SER B1101 0.898 14.133 8.966 1.00 0.00 C ATOM 821 C SER B1101 0.348 15.494 9.362 1.00 0.00 C ATOM 822 O SER B1101 -0.580 15.593 10.164 1.00 0.00 O ATOM 823 CB SER B1101 -0.048 13.475 7.965 1.00 0.00 C ATOM 824 OG SER B1101 -0.233 14.343 6.856 1.00 0.00 O ATOM 0 H SER B1101 0.443 12.459 10.143 1.00 0.00 H new ATOM 0 HA SER B1101 1.879 14.269 8.510 1.00 0.00 H new ATOM 0 HB2 SER B1101 0.362 12.522 7.631 1.00 0.00 H new ATOM 0 HB3 SER B1101 -1.006 13.261 8.439 1.00 0.00 H new ATOM 0 HG SER B1101 0.620 14.767 6.627 1.00 0.00 H new ATOM 830 N CYS B1102 0.919 16.535 8.781 1.00 0.00 N ATOM 831 CA CYS B1102 0.476 17.891 9.058 1.00 0.00 C ATOM 832 C CYS B1102 -0.049 18.553 7.786 1.00 0.00 C ATOM 833 O CYS B1102 -0.534 19.684 7.821 1.00 0.00 O ATOM 834 CB CYS B1102 1.636 18.711 9.631 1.00 0.00 C ATOM 835 SG CYS B1102 2.803 19.110 8.306 1.00 0.00 S ATOM 0 H CYS B1102 1.689 16.468 8.116 1.00 0.00 H new ATOM 0 HA CYS B1102 -0.332 17.851 9.789 1.00 0.00 H new ATOM 0 HB2 CYS B1102 1.259 19.627 10.086 1.00 0.00 H new ATOM 0 HB3 CYS B1102 2.140 18.149 10.417 1.00 0.00 H new ATOM 0 HG CYS B1102 2.186 19.763 7.366 1.00 0.00 H new ATOM 841 N ASP B1103 0.053 17.843 6.658 1.00 0.00 N ATOM 842 CA ASP B1103 -0.413 18.382 5.385 1.00 0.00 C ATOM 843 C ASP B1103 -1.543 17.527 4.817 1.00 0.00 C ATOM 844 O ASP B1103 -1.494 16.296 4.866 1.00 0.00 O ATOM 845 CB ASP B1103 0.744 18.436 4.388 1.00 0.00 C ATOM 846 CG ASP B1103 1.743 19.515 4.802 1.00 0.00 C ATOM 847 OD1 ASP B1103 1.382 20.348 5.616 1.00 0.00 O ATOM 848 OD2 ASP B1103 2.854 19.490 4.296 1.00 0.00 O ATOM 0 H ASP B1103 0.450 16.905 6.604 1.00 0.00 H new ATOM 0 HA ASP B1103 -0.792 19.390 5.556 1.00 0.00 H new ATOM 0 HB2 ASP B1103 1.241 17.467 4.343 1.00 0.00 H new ATOM 0 HB3 ASP B1103 0.364 18.646 3.388 1.00 0.00 H new ATOM 853 N ILE B1104 -2.559 18.186 4.271 1.00 0.00 N ATOM 854 CA ILE B1104 -3.689 17.475 3.695 1.00 0.00 C ATOM 855 C ILE B1104 -3.271 16.732 2.430 1.00 0.00 C ATOM 856 O ILE B1104 -3.863 15.715 2.071 1.00 0.00 O ATOM 857 CB ILE B1104 -4.809 18.467 3.370 1.00 0.00 C ATOM 858 CG1 ILE B1104 -4.289 19.539 2.404 1.00 0.00 C ATOM 859 CG2 ILE B1104 -5.298 19.134 4.656 1.00 0.00 C ATOM 860 CD1 ILE B1104 -5.452 20.418 1.935 1.00 0.00 C ATOM 0 H ILE B1104 -2.622 19.203 4.216 1.00 0.00 H new ATOM 0 HA ILE B1104 -4.048 16.745 4.420 1.00 0.00 H new ATOM 0 HB ILE B1104 -5.635 17.931 2.904 1.00 0.00 H new ATOM 0 HG12 ILE B1104 -3.534 20.151 2.897 1.00 0.00 H new ATOM 0 HG13 ILE B1104 -3.808 19.068 1.547 1.00 0.00 H new ATOM 0 HG21 ILE B1104 -6.095 19.839 4.420 1.00 0.00 H new ATOM 0 HG22 ILE B1104 -5.677 18.374 5.339 1.00 0.00 H new ATOM 0 HG23 ILE B1104 -4.471 19.665 5.127 1.00 0.00 H new ATOM 0 HD11 ILE B1104 -5.080 21.179 1.249 1.00 0.00 H new ATOM 0 HD12 ILE B1104 -6.192 19.801 1.426 1.00 0.00 H new ATOM 0 HD13 ILE B1104 -5.913 20.901 2.796 1.00 0.00 H new ATOM 872 N GLU B1105 -2.248 17.247 1.760 1.00 0.00 N ATOM 873 CA GLU B1105 -1.759 16.626 0.534 1.00 0.00 C ATOM 874 C GLU B1105 -1.207 15.236 0.823 1.00 0.00 C ATOM 875 O GLU B1105 -1.501 14.272 0.113 1.00 0.00 O ATOM 876 CB GLU B1105 -0.657 17.495 -0.083 1.00 0.00 C ATOM 877 CG GLU B1105 -1.263 18.789 -0.637 1.00 0.00 C ATOM 878 CD GLU B1105 -0.155 19.727 -1.106 1.00 0.00 C ATOM 879 OE1 GLU B1105 0.990 19.477 -0.769 1.00 0.00 O ATOM 880 OE2 GLU B1105 -0.469 20.683 -1.798 1.00 0.00 O ATOM 0 H GLU B1105 -1.743 18.087 2.042 1.00 0.00 H new ATOM 0 HA GLU B1105 -2.590 16.537 -0.165 1.00 0.00 H new ATOM 0 HB2 GLU B1105 0.097 17.729 0.668 1.00 0.00 H new ATOM 0 HB3 GLU B1105 -0.154 16.948 -0.880 1.00 0.00 H new ATOM 0 HG2 GLU B1105 -1.932 18.560 -1.466 1.00 0.00 H new ATOM 0 HG3 GLU B1105 -1.863 19.277 0.131 1.00 0.00 H new ATOM 887 N LEU B1106 -0.415 15.135 1.881 1.00 0.00 N ATOM 888 CA LEU B1106 0.163 13.860 2.260 1.00 0.00 C ATOM 889 C LEU B1106 -0.932 12.895 2.696 1.00 0.00 C ATOM 890 O LEU B1106 -0.892 11.704 2.384 1.00 0.00 O ATOM 891 CB LEU B1106 1.163 14.053 3.401 1.00 0.00 C ATOM 892 CG LEU B1106 1.817 12.714 3.741 1.00 0.00 C ATOM 893 CD1 LEU B1106 2.692 12.260 2.570 1.00 0.00 C ATOM 894 CD2 LEU B1106 2.683 12.872 4.992 1.00 0.00 C ATOM 0 H LEU B1106 -0.161 15.916 2.486 1.00 0.00 H new ATOM 0 HA LEU B1106 0.682 13.444 1.397 1.00 0.00 H new ATOM 0 HB2 LEU B1106 1.924 14.778 3.112 1.00 0.00 H new ATOM 0 HB3 LEU B1106 0.656 14.455 4.278 1.00 0.00 H new ATOM 0 HG LEU B1106 1.043 11.969 3.926 1.00 0.00 H new ATOM 0 HD11 LEU B1106 3.158 11.305 2.813 1.00 0.00 H new ATOM 0 HD12 LEU B1106 2.076 12.147 1.678 1.00 0.00 H new ATOM 0 HD13 LEU B1106 3.466 13.005 2.384 1.00 0.00 H new ATOM 0 HD21 LEU B1106 3.149 11.917 5.235 1.00 0.00 H new ATOM 0 HD22 LEU B1106 3.457 13.617 4.807 1.00 0.00 H new ATOM 0 HD23 LEU B1106 2.061 13.194 5.827 1.00 0.00 H new ATOM 906 N LEU B1107 -1.905 13.418 3.435 1.00 0.00 N ATOM 907 CA LEU B1107 -3.002 12.593 3.930 1.00 0.00 C ATOM 908 C LEU B1107 -3.763 11.997 2.758 1.00 0.00 C ATOM 909 O LEU B1107 -4.128 10.820 2.771 1.00 0.00 O ATOM 910 CB LEU B1107 -3.951 13.450 4.770 1.00 0.00 C ATOM 911 CG LEU B1107 -3.245 13.869 6.060 1.00 0.00 C ATOM 912 CD1 LEU B1107 -4.070 14.944 6.767 1.00 0.00 C ATOM 913 CD2 LEU B1107 -3.089 12.655 6.980 1.00 0.00 C ATOM 0 H LEU B1107 -1.957 14.401 3.703 1.00 0.00 H new ATOM 0 HA LEU B1107 -2.597 11.790 4.545 1.00 0.00 H new ATOM 0 HB2 LEU B1107 -4.258 14.331 4.207 1.00 0.00 H new ATOM 0 HB3 LEU B1107 -4.856 12.889 5.003 1.00 0.00 H new ATOM 0 HG LEU B1107 -2.259 14.267 5.819 1.00 0.00 H new ATOM 0 HD11 LEU B1107 -3.567 15.243 7.687 1.00 0.00 H new ATOM 0 HD12 LEU B1107 -4.176 15.810 6.113 1.00 0.00 H new ATOM 0 HD13 LEU B1107 -5.057 14.547 7.006 1.00 0.00 H new ATOM 0 HD21 LEU B1107 -2.586 12.957 7.898 1.00 0.00 H new ATOM 0 HD22 LEU B1107 -4.073 12.252 7.221 1.00 0.00 H new ATOM 0 HD23 LEU B1107 -2.497 11.890 6.476 1.00 0.00 H new ATOM 925 N ALA B1108 -3.981 12.812 1.739 1.00 0.00 N ATOM 926 CA ALA B1108 -4.677 12.361 0.547 1.00 0.00 C ATOM 927 C ALA B1108 -3.885 11.256 -0.143 1.00 0.00 C ATOM 928 O ALA B1108 -4.458 10.310 -0.680 1.00 0.00 O ATOM 929 CB ALA B1108 -4.883 13.531 -0.420 1.00 0.00 C ATOM 0 H ALA B1108 -3.686 13.788 1.714 1.00 0.00 H new ATOM 0 HA ALA B1108 -5.650 11.968 0.843 1.00 0.00 H new ATOM 0 HB1 ALA B1108 -5.406 13.180 -1.310 1.00 0.00 H new ATOM 0 HB2 ALA B1108 -5.475 14.306 0.067 1.00 0.00 H new ATOM 0 HB3 ALA B1108 -3.915 13.941 -0.706 1.00 0.00 H new ATOM 935 N ALA B1109 -2.560 11.390 -0.134 1.00 0.00 N ATOM 936 CA ALA B1109 -1.702 10.402 -0.775 1.00 0.00 C ATOM 937 C ALA B1109 -1.852 9.046 -0.101 1.00 0.00 C ATOM 938 O ALA B1109 -1.942 8.014 -0.766 1.00 0.00 O ATOM 939 CB ALA B1109 -0.244 10.867 -0.705 1.00 0.00 C ATOM 0 H ALA B1109 -2.064 12.165 0.306 1.00 0.00 H new ATOM 0 HA ALA B1109 -1.999 10.300 -1.819 1.00 0.00 H new ATOM 0 HB1 ALA B1109 0.397 10.127 -1.185 1.00 0.00 H new ATOM 0 HB2 ALA B1109 -0.142 11.823 -1.218 1.00 0.00 H new ATOM 0 HB3 ALA B1109 0.052 10.982 0.338 1.00 0.00 H new ATOM 945 N CYS B1110 -1.879 9.055 1.223 1.00 0.00 N ATOM 946 CA CYS B1110 -2.016 7.820 1.982 1.00 0.00 C ATOM 947 C CYS B1110 -3.387 7.206 1.763 1.00 0.00 C ATOM 948 O CYS B1110 -3.522 5.990 1.629 1.00 0.00 O ATOM 949 CB CYS B1110 -1.806 8.107 3.460 1.00 0.00 C ATOM 950 SG CYS B1110 -0.079 8.561 3.682 1.00 0.00 S ATOM 0 H CYS B1110 -1.808 9.898 1.792 1.00 0.00 H new ATOM 0 HA CYS B1110 -1.263 7.110 1.638 1.00 0.00 H new ATOM 0 HB2 CYS B1110 -2.460 8.914 3.791 1.00 0.00 H new ATOM 0 HB3 CYS B1110 -2.052 7.231 4.060 1.00 0.00 H new ATOM 0 HG CYS B1110 0.102 9.785 3.284 1.00 0.00 H new ATOM 956 N ARG B1111 -4.402 8.057 1.724 1.00 0.00 N ATOM 957 CA ARG B1111 -5.765 7.594 1.519 1.00 0.00 C ATOM 958 C ARG B1111 -5.890 6.901 0.168 1.00 0.00 C ATOM 959 O ARG B1111 -6.502 5.838 0.055 1.00 0.00 O ATOM 960 CB ARG B1111 -6.711 8.794 1.584 1.00 0.00 C ATOM 961 CG ARG B1111 -6.819 9.284 3.030 1.00 0.00 C ATOM 962 CD ARG B1111 -7.563 10.616 3.048 1.00 0.00 C ATOM 963 NE ARG B1111 -8.939 10.439 2.579 1.00 0.00 N ATOM 964 CZ ARG B1111 -9.308 10.677 1.312 1.00 0.00 C ATOM 965 NH1 ARG B1111 -8.445 11.061 0.407 1.00 0.00 N ATOM 966 NH2 ARG B1111 -10.556 10.513 0.970 1.00 0.00 N ATOM 0 H ARG B1111 -4.308 9.067 1.831 1.00 0.00 H new ATOM 0 HA ARG B1111 -6.027 6.877 2.297 1.00 0.00 H new ATOM 0 HB2 ARG B1111 -6.342 9.596 0.944 1.00 0.00 H new ATOM 0 HB3 ARG B1111 -7.696 8.514 1.209 1.00 0.00 H new ATOM 0 HG2 ARG B1111 -7.347 8.549 3.638 1.00 0.00 H new ATOM 0 HG3 ARG B1111 -5.826 9.402 3.463 1.00 0.00 H new ATOM 0 HD2 ARG B1111 -7.566 11.024 4.059 1.00 0.00 H new ATOM 0 HD3 ARG B1111 -7.046 11.337 2.415 1.00 0.00 H new ATOM 0 HE ARG B1111 -9.645 10.122 3.243 1.00 0.00 H new ATOM 0 HH11 ARG B1111 -7.464 11.186 0.658 1.00 0.00 H new ATOM 0 HH12 ARG B1111 -8.753 11.235 -0.550 1.00 0.00 H new ATOM 0 HH21 ARG B1111 -11.239 10.207 1.663 1.00 0.00 H new ATOM 0 HH22 ARG B1111 -10.849 10.691 0.009 1.00 0.00 H new ATOM 980 N GLU B1112 -5.287 7.498 -0.849 1.00 0.00 N ATOM 981 CA GLU B1112 -5.320 6.915 -2.184 1.00 0.00 C ATOM 982 C GLU B1112 -4.572 5.588 -2.207 1.00 0.00 C ATOM 983 O GLU B1112 -5.017 4.628 -2.837 1.00 0.00 O ATOM 984 CB GLU B1112 -4.682 7.869 -3.188 1.00 0.00 C ATOM 985 CG GLU B1112 -5.587 9.085 -3.380 1.00 0.00 C ATOM 986 CD GLU B1112 -6.931 8.662 -3.966 1.00 0.00 C ATOM 987 OE1 GLU B1112 -6.928 7.968 -4.969 1.00 0.00 O ATOM 988 OE2 GLU B1112 -7.946 9.042 -3.404 1.00 0.00 O ATOM 0 H GLU B1112 -4.774 8.377 -0.779 1.00 0.00 H new ATOM 0 HA GLU B1112 -6.361 6.742 -2.455 1.00 0.00 H new ATOM 0 HB2 GLU B1112 -3.701 8.185 -2.833 1.00 0.00 H new ATOM 0 HB3 GLU B1112 -4.529 7.362 -4.141 1.00 0.00 H new ATOM 0 HG2 GLU B1112 -5.741 9.586 -2.424 1.00 0.00 H new ATOM 0 HG3 GLU B1112 -5.105 9.804 -4.042 1.00 0.00 H new ATOM 995 N GLU B1113 -3.435 5.536 -1.517 1.00 0.00 N ATOM 996 CA GLU B1113 -2.653 4.315 -1.477 1.00 0.00 C ATOM 997 C GLU B1113 -3.446 3.204 -0.807 1.00 0.00 C ATOM 998 O GLU B1113 -3.405 2.050 -1.231 1.00 0.00 O ATOM 999 CB GLU B1113 -1.344 4.558 -0.723 1.00 0.00 C ATOM 1000 CG GLU B1113 -0.536 3.260 -0.661 1.00 0.00 C ATOM 1001 CD GLU B1113 -0.203 2.784 -2.071 1.00 0.00 C ATOM 1002 OE1 GLU B1113 -0.210 3.608 -2.970 1.00 0.00 O ATOM 1003 OE2 GLU B1113 0.052 1.603 -2.230 1.00 0.00 O ATOM 0 H GLU B1113 -3.044 6.315 -0.987 1.00 0.00 H new ATOM 0 HA GLU B1113 -2.422 4.011 -2.498 1.00 0.00 H new ATOM 0 HB2 GLU B1113 -0.765 5.335 -1.222 1.00 0.00 H new ATOM 0 HB3 GLU B1113 -1.555 4.915 0.285 1.00 0.00 H new ATOM 0 HG2 GLU B1113 0.382 3.420 -0.096 1.00 0.00 H new ATOM 0 HG3 GLU B1113 -1.104 2.493 -0.134 1.00 0.00 H new ATOM 1010 N PHE B1114 -4.161 3.564 0.247 1.00 0.00 N ATOM 1011 CA PHE B1114 -4.954 2.589 0.983 1.00 0.00 C ATOM 1012 C PHE B1114 -6.063 2.015 0.107 1.00 0.00 C ATOM 1013 O PHE B1114 -6.309 0.813 0.119 1.00 0.00 O ATOM 1014 CB PHE B1114 -5.564 3.244 2.227 1.00 0.00 C ATOM 1015 CG PHE B1114 -4.551 3.277 3.363 1.00 0.00 C ATOM 1016 CD1 PHE B1114 -3.173 3.200 3.103 1.00 0.00 C ATOM 1017 CD2 PHE B1114 -5.001 3.374 4.686 1.00 0.00 C ATOM 1018 CE1 PHE B1114 -2.255 3.217 4.166 1.00 0.00 C ATOM 1019 CE2 PHE B1114 -4.084 3.396 5.743 1.00 0.00 C ATOM 1020 CZ PHE B1114 -2.713 3.316 5.484 1.00 0.00 C ATOM 0 H PHE B1114 -4.210 4.516 0.611 1.00 0.00 H new ATOM 0 HA PHE B1114 -4.297 1.774 1.286 1.00 0.00 H new ATOM 0 HB2 PHE B1114 -5.887 4.258 1.990 1.00 0.00 H new ATOM 0 HB3 PHE B1114 -6.451 2.692 2.538 1.00 0.00 H new ATOM 0 HD1 PHE B1114 -2.819 3.128 2.085 1.00 0.00 H new ATOM 0 HD2 PHE B1114 -6.060 3.432 4.891 1.00 0.00 H new ATOM 0 HE1 PHE B1114 -1.196 3.154 3.966 1.00 0.00 H new ATOM 0 HE2 PHE B1114 -4.437 3.475 6.761 1.00 0.00 H new ATOM 0 HZ PHE B1114 -2.007 3.331 6.301 1.00 0.00 H new ATOM 1030 N HIS B1115 -6.725 2.874 -0.656 1.00 0.00 N ATOM 1031 CA HIS B1115 -7.793 2.427 -1.529 1.00 0.00 C ATOM 1032 C HIS B1115 -7.263 1.429 -2.555 1.00 0.00 C ATOM 1033 O HIS B1115 -7.836 0.356 -2.747 1.00 0.00 O ATOM 1034 CB HIS B1115 -8.392 3.634 -2.246 1.00 0.00 C ATOM 1035 CG HIS B1115 -9.554 3.181 -3.071 1.00 0.00 C ATOM 1036 ND1 HIS B1115 -10.053 3.922 -4.128 1.00 0.00 N ATOM 1037 CD2 HIS B1115 -10.325 2.058 -2.993 1.00 0.00 C ATOM 1038 CE1 HIS B1115 -11.090 3.235 -4.641 1.00 0.00 C ATOM 1039 NE2 HIS B1115 -11.299 2.089 -3.985 1.00 0.00 N ATOM 0 H HIS B1115 -6.541 3.877 -0.686 1.00 0.00 H new ATOM 0 HA HIS B1115 -8.559 1.934 -0.931 1.00 0.00 H new ATOM 0 HB2 HIS B1115 -8.713 4.382 -1.521 1.00 0.00 H new ATOM 0 HB3 HIS B1115 -7.641 4.107 -2.880 1.00 0.00 H new ATOM 0 HD2 HIS B1115 -10.198 1.265 -2.271 1.00 0.00 H new ATOM 0 HE1 HIS B1115 -11.682 3.569 -5.481 1.00 0.00 H new ATOM 0 HE2 HIS B1115 -12.017 1.389 -4.172 1.00 0.00 H new ATOM 1047 N ARG B1116 -6.161 1.784 -3.210 1.00 0.00 N ATOM 1048 CA ARG B1116 -5.569 0.906 -4.209 1.00 0.00 C ATOM 1049 C ARG B1116 -5.107 -0.401 -3.575 1.00 0.00 C ATOM 1050 O ARG B1116 -5.338 -1.480 -4.122 1.00 0.00 O ATOM 1051 CB ARG B1116 -4.383 1.595 -4.870 1.00 0.00 C ATOM 1052 CG ARG B1116 -3.808 0.673 -5.939 1.00 0.00 C ATOM 1053 CD ARG B1116 -2.645 1.372 -6.632 1.00 0.00 C ATOM 1054 NE ARG B1116 -3.117 2.508 -7.425 1.00 0.00 N ATOM 1055 CZ ARG B1116 -2.268 3.308 -8.084 1.00 0.00 C ATOM 1056 NH1 ARG B1116 -0.976 3.098 -8.041 1.00 0.00 N ATOM 1057 NH2 ARG B1116 -2.732 4.309 -8.780 1.00 0.00 N ATOM 0 H ARG B1116 -5.666 2.664 -3.068 1.00 0.00 H new ATOM 0 HA ARG B1116 -6.328 0.683 -4.959 1.00 0.00 H new ATOM 0 HB2 ARG B1116 -4.696 2.539 -5.316 1.00 0.00 H new ATOM 0 HB3 ARG B1116 -3.622 1.831 -4.126 1.00 0.00 H new ATOM 0 HG2 ARG B1116 -3.470 -0.260 -5.488 1.00 0.00 H new ATOM 0 HG3 ARG B1116 -4.578 0.415 -6.666 1.00 0.00 H new ATOM 0 HD2 ARG B1116 -1.927 1.716 -5.888 1.00 0.00 H new ATOM 0 HD3 ARG B1116 -2.122 0.665 -7.277 1.00 0.00 H new ATOM 0 HE ARG B1116 -4.118 2.696 -7.477 1.00 0.00 H new ATOM 0 HH11 ARG B1116 -0.604 2.317 -7.501 1.00 0.00 H new ATOM 0 HH12 ARG B1116 -0.342 3.715 -8.548 1.00 0.00 H new ATOM 0 HH21 ARG B1116 -3.737 4.480 -8.821 1.00 0.00 H new ATOM 0 HH22 ARG B1116 -2.090 4.921 -9.284 1.00 0.00 H new ATOM 1071 N ARG B1117 -4.454 -0.297 -2.422 1.00 0.00 N ATOM 1072 CA ARG B1117 -3.971 -1.482 -1.731 1.00 0.00 C ATOM 1073 C ARG B1117 -5.131 -2.396 -1.363 1.00 0.00 C ATOM 1074 O ARG B1117 -5.053 -3.612 -1.535 1.00 0.00 O ATOM 1075 CB ARG B1117 -3.202 -1.076 -0.471 1.00 0.00 C ATOM 1076 CG ARG B1117 -1.807 -0.579 -0.856 1.00 0.00 C ATOM 1077 CD ARG B1117 -1.003 -0.325 0.420 1.00 0.00 C ATOM 1078 NE ARG B1117 0.395 -0.045 0.107 1.00 0.00 N ATOM 1079 CZ ARG B1117 1.350 -0.150 1.031 1.00 0.00 C ATOM 1080 NH1 ARG B1117 1.064 -0.497 2.261 1.00 0.00 N ATOM 1081 NH2 ARG B1117 2.584 0.086 0.700 1.00 0.00 N ATOM 0 H ARG B1117 -4.250 0.585 -1.953 1.00 0.00 H new ATOM 0 HA ARG B1117 -3.301 -2.025 -2.398 1.00 0.00 H new ATOM 0 HB2 ARG B1117 -3.743 -0.294 0.061 1.00 0.00 H new ATOM 0 HB3 ARG B1117 -3.122 -1.925 0.207 1.00 0.00 H new ATOM 0 HG2 ARG B1117 -1.302 -1.317 -1.479 1.00 0.00 H new ATOM 0 HG3 ARG B1117 -1.881 0.336 -1.443 1.00 0.00 H new ATOM 0 HD2 ARG B1117 -1.433 0.515 0.965 1.00 0.00 H new ATOM 0 HD3 ARG B1117 -1.066 -1.195 1.074 1.00 0.00 H new ATOM 0 HE ARG B1117 0.647 0.237 -0.840 1.00 0.00 H new ATOM 0 HH11 ARG B1117 0.098 -0.692 2.524 1.00 0.00 H new ATOM 0 HH12 ARG B1117 1.807 -0.573 2.955 1.00 0.00 H new ATOM 0 HH21 ARG B1117 2.814 0.349 -0.259 1.00 0.00 H new ATOM 0 HH22 ARG B1117 3.323 0.009 1.399 1.00 0.00 H new ATOM 1095 N LEU B1118 -6.214 -1.808 -0.880 1.00 0.00 N ATOM 1096 CA LEU B1118 -7.386 -2.588 -0.520 1.00 0.00 C ATOM 1097 C LEU B1118 -7.979 -3.259 -1.755 1.00 0.00 C ATOM 1098 O LEU B1118 -8.404 -4.414 -1.701 1.00 0.00 O ATOM 1099 CB LEU B1118 -8.428 -1.685 0.138 1.00 0.00 C ATOM 1100 CG LEU B1118 -7.941 -1.275 1.529 1.00 0.00 C ATOM 1101 CD1 LEU B1118 -8.821 -0.149 2.069 1.00 0.00 C ATOM 1102 CD2 LEU B1118 -8.037 -2.477 2.471 1.00 0.00 C ATOM 0 H LEU B1118 -6.306 -0.803 -0.729 1.00 0.00 H new ATOM 0 HA LEU B1118 -7.088 -3.363 0.186 1.00 0.00 H new ATOM 0 HB2 LEU B1118 -8.597 -0.800 -0.475 1.00 0.00 H new ATOM 0 HB3 LEU B1118 -9.382 -2.207 0.214 1.00 0.00 H new ATOM 0 HG LEU B1118 -6.908 -0.933 1.464 1.00 0.00 H new ATOM 0 HD11 LEU B1118 -8.473 0.142 3.060 1.00 0.00 H new ATOM 0 HD12 LEU B1118 -8.766 0.709 1.399 1.00 0.00 H new ATOM 0 HD13 LEU B1118 -9.853 -0.493 2.134 1.00 0.00 H new ATOM 0 HD21 LEU B1118 -7.691 -2.190 3.464 1.00 0.00 H new ATOM 0 HD22 LEU B1118 -9.073 -2.811 2.530 1.00 0.00 H new ATOM 0 HD23 LEU B1118 -7.416 -3.288 2.091 1.00 0.00 H new ATOM 1114 N LYS B1119 -8.009 -2.532 -2.868 1.00 0.00 N ATOM 1115 CA LYS B1119 -8.551 -3.073 -4.101 1.00 0.00 C ATOM 1116 C LYS B1119 -7.749 -4.290 -4.546 1.00 0.00 C ATOM 1117 O LYS B1119 -8.316 -5.325 -4.897 1.00 0.00 O ATOM 1118 CB LYS B1119 -8.508 -2.003 -5.191 1.00 0.00 C ATOM 1119 CG LYS B1119 -9.123 -2.544 -6.484 1.00 0.00 C ATOM 1120 CD LYS B1119 -10.615 -2.810 -6.270 1.00 0.00 C ATOM 1121 CE LYS B1119 -11.249 -3.200 -7.598 1.00 0.00 C ATOM 1122 NZ LYS B1119 -12.702 -3.464 -7.393 1.00 0.00 N ATOM 0 H LYS B1119 -7.666 -1.574 -2.937 1.00 0.00 H new ATOM 0 HA LYS B1119 -9.583 -3.378 -3.928 1.00 0.00 H new ATOM 0 HB2 LYS B1119 -9.052 -1.117 -4.863 1.00 0.00 H new ATOM 0 HB3 LYS B1119 -7.477 -1.696 -5.370 1.00 0.00 H new ATOM 0 HG2 LYS B1119 -8.983 -1.827 -7.293 1.00 0.00 H new ATOM 0 HG3 LYS B1119 -8.618 -3.463 -6.782 1.00 0.00 H new ATOM 0 HD2 LYS B1119 -10.753 -3.607 -5.539 1.00 0.00 H new ATOM 0 HD3 LYS B1119 -11.101 -1.921 -5.868 1.00 0.00 H new ATOM 0 HE2 LYS B1119 -11.112 -2.402 -8.327 1.00 0.00 H new ATOM 0 HE3 LYS B1119 -10.760 -4.087 -8.001 1.00 0.00 H new ATOM 0 HZ1 LYS B1119 -13.138 -3.731 -8.299 1.00 0.00 H new ATOM 0 HZ2 LYS B1119 -12.821 -4.239 -6.710 1.00 0.00 H new ATOM 0 HZ3 LYS B1119 -13.162 -2.606 -7.027 1.00 0.00 H new ATOM 1136 N VAL B1120 -6.424 -4.162 -4.523 1.00 0.00 N ATOM 1137 CA VAL B1120 -5.558 -5.261 -4.920 1.00 0.00 C ATOM 1138 C VAL B1120 -5.760 -6.451 -3.991 1.00 0.00 C ATOM 1139 O VAL B1120 -5.777 -7.597 -4.433 1.00 0.00 O ATOM 1140 CB VAL B1120 -4.096 -4.817 -4.886 1.00 0.00 C ATOM 1141 CG1 VAL B1120 -3.188 -6.031 -5.085 1.00 0.00 C ATOM 1142 CG2 VAL B1120 -3.848 -3.811 -6.011 1.00 0.00 C ATOM 0 H VAL B1120 -5.934 -3.315 -4.236 1.00 0.00 H new ATOM 0 HA VAL B1120 -5.815 -5.559 -5.937 1.00 0.00 H new ATOM 0 HB VAL B1120 -3.879 -4.354 -3.923 1.00 0.00 H new ATOM 0 HG11 VAL B1120 -2.146 -5.714 -5.061 1.00 0.00 H new ATOM 0 HG12 VAL B1120 -3.366 -6.753 -4.288 1.00 0.00 H new ATOM 0 HG13 VAL B1120 -3.404 -6.493 -6.048 1.00 0.00 H new ATOM 0 HG21 VAL B1120 -2.806 -3.492 -5.990 1.00 0.00 H new ATOM 0 HG22 VAL B1120 -4.065 -4.278 -6.971 1.00 0.00 H new ATOM 0 HG23 VAL B1120 -4.496 -2.945 -5.874 1.00 0.00 H new ATOM 1152 N TYR B1121 -5.900 -6.169 -2.703 1.00 0.00 N ATOM 1153 CA TYR B1121 -6.090 -7.227 -1.716 1.00 0.00 C ATOM 1154 C TYR B1121 -7.335 -8.044 -2.041 1.00 0.00 C ATOM 1155 O TYR B1121 -7.294 -9.274 -2.056 1.00 0.00 O ATOM 1156 CB TYR B1121 -6.225 -6.616 -0.320 1.00 0.00 C ATOM 1157 CG TYR B1121 -6.485 -7.710 0.688 1.00 0.00 C ATOM 1158 CD1 TYR B1121 -5.451 -8.578 1.055 1.00 0.00 C ATOM 1159 CD2 TYR B1121 -7.755 -7.852 1.258 1.00 0.00 C ATOM 1160 CE1 TYR B1121 -5.686 -9.589 1.993 1.00 0.00 C ATOM 1161 CE2 TYR B1121 -7.990 -8.864 2.196 1.00 0.00 C ATOM 1162 CZ TYR B1121 -6.957 -9.734 2.563 1.00 0.00 C ATOM 1163 OH TYR B1121 -7.187 -10.730 3.489 1.00 0.00 O ATOM 0 H TYR B1121 -5.886 -5.225 -2.318 1.00 0.00 H new ATOM 0 HA TYR B1121 -5.222 -7.886 -1.742 1.00 0.00 H new ATOM 0 HB2 TYR B1121 -5.315 -6.076 -0.059 1.00 0.00 H new ATOM 0 HB3 TYR B1121 -7.040 -5.893 -0.306 1.00 0.00 H new ATOM 0 HD1 TYR B1121 -4.471 -8.468 0.614 1.00 0.00 H new ATOM 0 HD2 TYR B1121 -8.553 -7.182 0.975 1.00 0.00 H new ATOM 0 HE1 TYR B1121 -4.887 -10.258 2.278 1.00 0.00 H new ATOM 0 HE2 TYR B1121 -8.970 -8.974 2.637 1.00 0.00 H new ATOM 0 HH TYR B1121 -8.126 -11.006 3.446 1.00 0.00 H new ATOM 1173 N HIS B1122 -8.435 -7.352 -2.307 1.00 0.00 N ATOM 1174 CA HIS B1122 -9.684 -8.028 -2.638 1.00 0.00 C ATOM 1175 C HIS B1122 -9.511 -8.858 -3.905 1.00 0.00 C ATOM 1176 O HIS B1122 -9.928 -10.017 -3.966 1.00 0.00 O ATOM 1177 CB HIS B1122 -10.800 -7.002 -2.836 1.00 0.00 C ATOM 1178 CG HIS B1122 -12.072 -7.710 -3.213 1.00 0.00 C ATOM 1179 ND1 HIS B1122 -12.804 -8.450 -2.298 1.00 0.00 N ATOM 1180 CD2 HIS B1122 -12.754 -7.802 -4.401 1.00 0.00 C ATOM 1181 CE1 HIS B1122 -13.874 -8.950 -2.944 1.00 0.00 C ATOM 1182 NE2 HIS B1122 -13.893 -8.585 -4.229 1.00 0.00 N ATOM 0 H HIS B1122 -8.489 -6.333 -2.301 1.00 0.00 H new ATOM 0 HA HIS B1122 -9.953 -8.690 -1.815 1.00 0.00 H new ATOM 0 HB2 HIS B1122 -10.948 -6.429 -1.921 1.00 0.00 H new ATOM 0 HB3 HIS B1122 -10.522 -6.292 -3.615 1.00 0.00 H new ATOM 0 HD2 HIS B1122 -12.453 -7.338 -5.328 1.00 0.00 H new ATOM 0 HE1 HIS B1122 -14.626 -9.571 -2.480 1.00 0.00 H new ATOM 0 HE2 HIS B1122 -14.591 -8.827 -4.932 1.00 0.00 H new ATOM 1190 N ALA B1123 -8.893 -8.260 -4.916 1.00 0.00 N ATOM 1191 CA ALA B1123 -8.674 -8.956 -6.178 1.00 0.00 C ATOM 1192 C ALA B1123 -7.813 -10.199 -5.959 1.00 0.00 C ATOM 1193 O ALA B1123 -8.064 -11.246 -6.551 1.00 0.00 O ATOM 1194 CB ALA B1123 -7.993 -8.019 -7.179 1.00 0.00 C ATOM 0 H ALA B1123 -8.538 -7.304 -4.888 1.00 0.00 H new ATOM 0 HA ALA B1123 -9.639 -9.266 -6.578 1.00 0.00 H new ATOM 0 HB1 ALA B1123 -7.833 -8.546 -8.120 1.00 0.00 H new ATOM 0 HB2 ALA B1123 -8.627 -7.150 -7.354 1.00 0.00 H new ATOM 0 HB3 ALA B1123 -7.033 -7.693 -6.778 1.00 0.00 H new ATOM 1200 N TRP B1124 -6.803 -10.085 -5.101 1.00 0.00 N ATOM 1201 CA TRP B1124 -5.931 -11.207 -4.813 1.00 0.00 C ATOM 1202 C TRP B1124 -6.734 -12.359 -4.213 1.00 0.00 C ATOM 1203 O TRP B1124 -6.601 -13.511 -4.616 1.00 0.00 O ATOM 1204 CB TRP B1124 -4.840 -10.755 -3.851 1.00 0.00 C ATOM 1205 CG TRP B1124 -3.992 -11.916 -3.506 1.00 0.00 C ATOM 1206 CD1 TRP B1124 -3.075 -12.447 -4.324 1.00 0.00 C ATOM 1207 CD2 TRP B1124 -3.944 -12.671 -2.272 1.00 0.00 C ATOM 1208 NE1 TRP B1124 -2.474 -13.517 -3.687 1.00 0.00 N ATOM 1209 CE2 TRP B1124 -2.975 -13.691 -2.406 1.00 0.00 C ATOM 1210 CE3 TRP B1124 -4.648 -12.571 -1.065 1.00 0.00 C ATOM 1211 CZ2 TRP B1124 -2.716 -14.589 -1.368 1.00 0.00 C ATOM 1212 CZ3 TRP B1124 -4.389 -13.466 -0.018 1.00 0.00 C ATOM 1213 CH2 TRP B1124 -3.425 -14.473 -0.166 1.00 0.00 C ATOM 0 H TRP B1124 -6.573 -9.228 -4.597 1.00 0.00 H new ATOM 0 HA TRP B1124 -5.472 -11.560 -5.736 1.00 0.00 H new ATOM 0 HB2 TRP B1124 -4.237 -9.970 -4.308 1.00 0.00 H new ATOM 0 HB3 TRP B1124 -5.284 -10.332 -2.950 1.00 0.00 H new ATOM 0 HD1 TRP B1124 -2.843 -12.097 -5.319 1.00 0.00 H new ATOM 0 HE1 TRP B1124 -1.753 -14.104 -4.107 1.00 0.00 H new ATOM 0 HE3 TRP B1124 -5.394 -11.800 -0.941 1.00 0.00 H new ATOM 0 HZ2 TRP B1124 -1.976 -15.366 -1.491 1.00 0.00 H new ATOM 0 HZ3 TRP B1124 -4.936 -13.379 0.909 1.00 0.00 H new ATOM 0 HH2 TRP B1124 -3.229 -15.158 0.646 1.00 0.00 H new ATOM 1224 N LYS B1125 -7.589 -12.040 -3.259 1.00 0.00 N ATOM 1225 CA LYS B1125 -8.419 -13.057 -2.637 1.00 0.00 C ATOM 1226 C LYS B1125 -9.316 -13.708 -3.672 1.00 0.00 C ATOM 1227 O LYS B1125 -9.593 -14.895 -3.604 1.00 0.00 O ATOM 1228 CB LYS B1125 -9.268 -12.440 -1.522 1.00 0.00 C ATOM 1229 CG LYS B1125 -8.378 -12.071 -0.333 1.00 0.00 C ATOM 1230 CD LYS B1125 -7.883 -13.351 0.340 1.00 0.00 C ATOM 1231 CE LYS B1125 -7.231 -13.008 1.680 1.00 0.00 C ATOM 1232 NZ LYS B1125 -6.697 -14.251 2.310 1.00 0.00 N ATOM 0 H LYS B1125 -7.727 -11.095 -2.900 1.00 0.00 H new ATOM 0 HA LYS B1125 -7.770 -13.818 -2.205 1.00 0.00 H new ATOM 0 HB2 LYS B1125 -9.781 -11.553 -1.893 1.00 0.00 H new ATOM 0 HB3 LYS B1125 -10.037 -13.145 -1.207 1.00 0.00 H new ATOM 0 HG2 LYS B1125 -7.532 -11.472 -0.669 1.00 0.00 H new ATOM 0 HG3 LYS B1125 -8.936 -11.463 0.380 1.00 0.00 H new ATOM 0 HD2 LYS B1125 -8.715 -14.038 0.494 1.00 0.00 H new ATOM 0 HD3 LYS B1125 -7.166 -13.859 -0.305 1.00 0.00 H new ATOM 0 HE2 LYS B1125 -6.425 -12.289 1.530 1.00 0.00 H new ATOM 0 HE3 LYS B1125 -7.959 -12.538 2.340 1.00 0.00 H new ATOM 0 HZ1 LYS B1125 -6.195 -14.007 3.188 1.00 0.00 H new ATOM 0 HZ2 LYS B1125 -7.484 -14.895 2.529 1.00 0.00 H new ATOM 0 HZ3 LYS B1125 -6.040 -14.718 1.653 1.00 0.00 H new ATOM 1246 N SER B1126 -9.766 -12.920 -4.625 1.00 0.00 N ATOM 1247 CA SER B1126 -10.630 -13.430 -5.684 1.00 0.00 C ATOM 1248 C SER B1126 -9.856 -14.366 -6.608 1.00 0.00 C ATOM 1249 O SER B1126 -10.388 -15.372 -7.070 1.00 0.00 O ATOM 1250 CB SER B1126 -11.214 -12.278 -6.498 1.00 0.00 C ATOM 1251 OG SER B1126 -12.069 -11.506 -5.668 1.00 0.00 O ATOM 0 H SER B1126 -9.552 -11.925 -4.694 1.00 0.00 H new ATOM 0 HA SER B1126 -11.442 -13.986 -5.216 1.00 0.00 H new ATOM 0 HB2 SER B1126 -10.413 -11.655 -6.895 1.00 0.00 H new ATOM 0 HB3 SER B1126 -11.769 -12.665 -7.352 1.00 0.00 H new ATOM 0 HG SER B1126 -11.528 -10.954 -5.065 1.00 0.00 H new ATOM 1382 N GLU A 47 1.011 -17.802 0.109 1.00 0.00 N ATOM 1383 CA GLU A 47 -0.166 -16.994 -0.185 1.00 0.00 C ATOM 1384 C GLU A 47 -0.336 -15.896 0.859 1.00 0.00 C ATOM 1385 O GLU A 47 -0.648 -14.751 0.532 1.00 0.00 O ATOM 1386 CB GLU A 47 -1.412 -17.879 -0.191 1.00 0.00 C ATOM 1387 CG GLU A 47 -1.382 -18.801 -1.414 1.00 0.00 C ATOM 1388 CD GLU A 47 -2.583 -19.741 -1.392 1.00 0.00 C ATOM 1389 OE1 GLU A 47 -3.275 -19.764 -0.387 1.00 0.00 O ATOM 1390 OE2 GLU A 47 -2.796 -20.423 -2.382 1.00 0.00 O ATOM 0 HA GLU A 47 -0.034 -16.535 -1.165 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.454 -18.472 0.723 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.309 -17.261 -0.211 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.393 -18.206 -2.328 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.458 -19.379 -1.421 1.00 0.00 H new ATOM 1397 N ASN A 48 -0.125 -16.252 2.119 1.00 0.00 N ATOM 1398 CA ASN A 48 -0.258 -15.285 3.197 1.00 0.00 C ATOM 1399 C ASN A 48 0.743 -14.153 3.019 1.00 0.00 C ATOM 1400 O ASN A 48 0.430 -12.987 3.255 1.00 0.00 O ATOM 1401 CB ASN A 48 -0.027 -15.967 4.546 1.00 0.00 C ATOM 1402 CG ASN A 48 -1.179 -16.916 4.850 1.00 0.00 C ATOM 1403 OD1 ASN A 48 -0.956 -18.078 5.191 1.00 0.00 O ATOM 1404 ND2 ASN A 48 -2.406 -16.491 4.729 1.00 0.00 N ATOM 0 H ASN A 48 0.136 -17.192 2.416 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.267 -14.874 3.170 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.914 -16.517 4.529 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.056 -15.217 5.333 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.185 -17.122 4.917 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.587 -15.528 4.446 1.00 0.00 H new ATOM 1411 N ASP A 49 1.952 -14.504 2.598 1.00 0.00 N ATOM 1412 CA ASP A 49 2.993 -13.505 2.390 1.00 0.00 C ATOM 1413 C ASP A 49 2.587 -12.522 1.299 1.00 0.00 C ATOM 1414 O ASP A 49 2.821 -11.318 1.413 1.00 0.00 O ATOM 1415 CB ASP A 49 4.307 -14.184 2.005 1.00 0.00 C ATOM 1416 CG ASP A 49 4.901 -14.900 3.215 1.00 0.00 C ATOM 1417 OD1 ASP A 49 4.433 -14.652 4.314 1.00 0.00 O ATOM 1418 OD2 ASP A 49 5.814 -15.684 3.023 1.00 0.00 O ATOM 0 H ASP A 49 2.234 -15.463 2.396 1.00 0.00 H new ATOM 0 HA ASP A 49 3.130 -12.958 3.323 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.134 -14.897 1.199 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.012 -13.443 1.629 1.00 0.00 H new ATOM 1423 N GLU A 50 1.981 -13.045 0.236 1.00 0.00 N ATOM 1424 CA GLU A 50 1.551 -12.200 -0.871 1.00 0.00 C ATOM 1425 C GLU A 50 0.505 -11.195 -0.404 1.00 0.00 C ATOM 1426 O GLU A 50 0.549 -10.019 -0.768 1.00 0.00 O ATOM 1427 CB GLU A 50 0.957 -13.069 -1.981 1.00 0.00 C ATOM 1428 CG GLU A 50 2.066 -13.896 -2.636 1.00 0.00 C ATOM 1429 CD GLU A 50 1.467 -14.818 -3.693 1.00 0.00 C ATOM 1430 OE1 GLU A 50 0.254 -14.807 -3.842 1.00 0.00 O ATOM 1431 OE2 GLU A 50 2.229 -15.525 -4.333 1.00 0.00 O ATOM 0 H GLU A 50 1.779 -14.038 0.119 1.00 0.00 H new ATOM 0 HA GLU A 50 2.417 -11.657 -1.249 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.192 -13.728 -1.570 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.469 -12.441 -2.727 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.804 -13.236 -3.092 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.588 -14.484 -1.881 1.00 0.00 H new ATOM 1438 N ALA A 51 -0.435 -11.663 0.411 1.00 0.00 N ATOM 1439 CA ALA A 51 -1.481 -10.787 0.922 1.00 0.00 C ATOM 1440 C ALA A 51 -0.881 -9.684 1.790 1.00 0.00 C ATOM 1441 O ALA A 51 -1.301 -8.529 1.721 1.00 0.00 O ATOM 1442 CB ALA A 51 -2.492 -11.591 1.734 1.00 0.00 C ATOM 0 H ALA A 51 -0.494 -12.631 0.728 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.988 -10.328 0.073 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.268 -10.925 2.110 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.944 -12.354 1.100 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.987 -12.070 2.573 1.00 0.00 H new ATOM 1448 N PHE A 52 0.109 -10.046 2.599 1.00 0.00 N ATOM 1449 CA PHE A 52 0.760 -9.071 3.467 1.00 0.00 C ATOM 1450 C PHE A 52 1.417 -7.970 2.647 1.00 0.00 C ATOM 1451 O PHE A 52 1.291 -6.791 2.970 1.00 0.00 O ATOM 1452 CB PHE A 52 1.821 -9.755 4.329 1.00 0.00 C ATOM 1453 CG PHE A 52 1.231 -10.131 5.666 1.00 0.00 C ATOM 1454 CD1 PHE A 52 0.872 -11.457 5.930 1.00 0.00 C ATOM 1455 CD2 PHE A 52 1.057 -9.149 6.652 1.00 0.00 C ATOM 1456 CE1 PHE A 52 0.339 -11.802 7.177 1.00 0.00 C ATOM 1457 CE2 PHE A 52 0.524 -9.495 7.897 1.00 0.00 C ATOM 1458 CZ PHE A 52 0.167 -10.822 8.160 1.00 0.00 C ATOM 0 H PHE A 52 0.475 -10.995 2.672 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.004 -8.630 4.108 1.00 0.00 H new ATOM 0 HB2 PHE A 52 2.195 -10.645 3.823 1.00 0.00 H new ATOM 0 HB3 PHE A 52 2.672 -9.089 4.471 1.00 0.00 H new ATOM 0 HD1 PHE A 52 1.006 -12.214 5.172 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.335 -8.125 6.449 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.060 -12.825 7.380 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.388 -8.738 8.656 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.242 -11.090 9.123 1.00 0.00 H new ATOM 1468 N ALA A 53 2.112 -8.359 1.586 1.00 0.00 N ATOM 1469 CA ALA A 53 2.780 -7.386 0.733 1.00 0.00 C ATOM 1470 C ALA A 53 1.763 -6.435 0.116 1.00 0.00 C ATOM 1471 O ALA A 53 2.002 -5.233 0.013 1.00 0.00 O ATOM 1472 CB ALA A 53 3.546 -8.106 -0.375 1.00 0.00 C ATOM 0 H ALA A 53 2.227 -9.331 1.298 1.00 0.00 H new ATOM 0 HA ALA A 53 3.478 -6.811 1.341 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.043 -7.372 -1.009 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.291 -8.767 0.068 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.851 -8.693 -0.975 1.00 0.00 H new ATOM 1478 N ILE A 54 0.623 -6.976 -0.291 1.00 0.00 N ATOM 1479 CA ILE A 54 -0.418 -6.164 -0.891 1.00 0.00 C ATOM 1480 C ILE A 54 -0.885 -5.082 0.076 1.00 0.00 C ATOM 1481 O ILE A 54 -1.142 -3.945 -0.325 1.00 0.00 O ATOM 1482 CB ILE A 54 -1.600 -7.046 -1.293 1.00 0.00 C ATOM 1483 CG1 ILE A 54 -1.195 -7.940 -2.468 1.00 0.00 C ATOM 1484 CG2 ILE A 54 -2.769 -6.161 -1.706 1.00 0.00 C ATOM 1485 CD1 ILE A 54 -2.288 -8.984 -2.709 1.00 0.00 C ATOM 0 H ILE A 54 0.399 -7.968 -0.216 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.009 -5.681 -1.779 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.894 -7.670 -0.449 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.047 -7.338 -3.364 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.246 -8.432 -2.255 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.615 -6.786 -1.994 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.056 -5.524 -0.869 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.474 -5.539 -2.551 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.003 -9.623 -3.545 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.413 -9.593 -1.814 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.227 -8.481 -2.940 1.00 0.00 H new ATOM 1497 N LEU A 55 -1.010 -5.443 1.343 1.00 0.00 N ATOM 1498 CA LEU A 55 -1.465 -4.497 2.351 1.00 0.00 C ATOM 1499 C LEU A 55 -0.307 -3.993 3.209 1.00 0.00 C ATOM 1500 O LEU A 55 -0.504 -3.610 4.363 1.00 0.00 O ATOM 1501 CB LEU A 55 -2.519 -5.163 3.232 1.00 0.00 C ATOM 1502 CG LEU A 55 -3.690 -5.627 2.358 1.00 0.00 C ATOM 1503 CD1 LEU A 55 -4.687 -6.407 3.211 1.00 0.00 C ATOM 1504 CD2 LEU A 55 -4.395 -4.411 1.749 1.00 0.00 C ATOM 0 H LEU A 55 -0.805 -6.377 1.697 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.899 -3.636 1.843 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.085 -6.012 3.759 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.871 -4.463 3.990 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.309 -6.265 1.561 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.519 -6.736 2.589 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.193 -7.276 3.645 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.062 -5.766 4.009 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.227 -4.745 1.129 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.772 -3.771 2.547 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.689 -3.850 1.137 1.00 0.00 H new ATOM 1516 N ASP A 56 0.901 -3.992 2.650 1.00 0.00 N ATOM 1517 CA ASP A 56 2.065 -3.518 3.394 1.00 0.00 C ATOM 1518 C ASP A 56 3.105 -2.942 2.444 1.00 0.00 C ATOM 1519 O ASP A 56 3.420 -1.754 2.493 1.00 0.00 O ATOM 1520 CB ASP A 56 2.682 -4.674 4.179 1.00 0.00 C ATOM 1521 CG ASP A 56 3.825 -4.166 5.049 1.00 0.00 C ATOM 1522 OD1 ASP A 56 3.555 -3.406 5.964 1.00 0.00 O ATOM 1523 OD2 ASP A 56 4.955 -4.547 4.790 1.00 0.00 O ATOM 0 H ASP A 56 1.098 -4.308 1.701 1.00 0.00 H new ATOM 0 HA ASP A 56 1.742 -2.737 4.083 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.923 -5.147 4.802 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.049 -5.436 3.491 1.00 0.00 H new ATOM 1528 N GLY A 57 3.622 -3.786 1.567 1.00 0.00 N ATOM 1529 CA GLY A 57 4.616 -3.340 0.602 1.00 0.00 C ATOM 1530 C GLY A 57 3.956 -2.701 -0.622 1.00 0.00 C ATOM 1531 O GLY A 57 4.640 -2.169 -1.495 1.00 0.00 O ATOM 0 H GLY A 57 3.374 -4.773 1.502 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.286 -2.621 1.073 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.227 -4.187 0.288 1.00 0.00 H new ATOM 1535 N GLY A 58 2.623 -2.761 -0.684 1.00 0.00 N ATOM 1536 CA GLY A 58 1.892 -2.193 -1.811 1.00 0.00 C ATOM 1537 C GLY A 58 2.098 -3.036 -3.066 1.00 0.00 C ATOM 1538 O GLY A 58 1.905 -2.557 -4.184 1.00 0.00 O ATOM 0 H GLY A 58 2.035 -3.194 0.028 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.830 -2.140 -1.573 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.229 -1.173 -1.993 1.00 0.00 H new ATOM 1542 N ALA A 59 2.496 -4.290 -2.876 1.00 0.00 N ATOM 1543 CA ALA A 59 2.733 -5.186 -4.002 1.00 0.00 C ATOM 1544 C ALA A 59 1.422 -5.665 -4.615 1.00 0.00 C ATOM 1545 O ALA A 59 0.374 -5.622 -3.977 1.00 0.00 O ATOM 1546 CB ALA A 59 3.535 -6.400 -3.544 1.00 0.00 C ATOM 0 H ALA A 59 2.660 -4.706 -1.960 1.00 0.00 H new ATOM 0 HA ALA A 59 3.291 -4.629 -4.755 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.707 -7.063 -4.392 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.493 -6.072 -3.140 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.979 -6.933 -2.773 1.00 0.00 H new ATOM 1552 N PRO A 60 1.460 -6.125 -5.835 1.00 0.00 N ATOM 1553 CA PRO A 60 0.246 -6.628 -6.535 1.00 0.00 C ATOM 1554 C PRO A 60 -0.243 -7.954 -5.956 1.00 0.00 C ATOM 1555 O PRO A 60 -1.421 -8.292 -6.063 1.00 0.00 O ATOM 1556 CB PRO A 60 0.703 -6.792 -7.985 1.00 0.00 C ATOM 1557 CG PRO A 60 2.180 -6.995 -7.911 1.00 0.00 C ATOM 1558 CD PRO A 60 2.661 -6.221 -6.683 1.00 0.00 C ATOM 0 HA PRO A 60 -0.600 -5.949 -6.430 1.00 0.00 H new ATOM 0 HB2 PRO A 60 0.212 -7.642 -8.458 1.00 0.00 H new ATOM 0 HB3 PRO A 60 0.456 -5.911 -8.577 1.00 0.00 H new ATOM 0 HG2 PRO A 60 2.423 -8.054 -7.822 1.00 0.00 H new ATOM 0 HG3 PRO A 60 2.668 -6.631 -8.815 1.00 0.00 H new ATOM 0 HD2 PRO A 60 3.470 -6.743 -6.173 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.039 -5.235 -6.954 1.00 0.00 H new ATOM 1566 N GLY A 61 0.673 -8.700 -5.347 1.00 0.00 N ATOM 1567 CA GLY A 61 0.325 -9.988 -4.756 1.00 0.00 C ATOM 1568 C GLY A 61 1.250 -11.086 -5.268 1.00 0.00 C ATOM 1569 O GLY A 61 2.313 -11.254 -4.693 1.00 0.00 O ATOM 1570 OXT GLY A 61 0.883 -11.744 -6.228 1.00 0.00 O ATOM 0 H GLY A 61 1.654 -8.438 -5.250 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.394 -9.925 -3.670 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.709 -10.236 -4.996 1.00 0.00 H new