USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 526 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B1054 THR OG1 : rot 180:sc= -0.68 USER MOD Set 1.2: B1057 GLN : amide:sc= -0.0172 X(o=-0.7,f=-1.1) USER MOD Set 2.1: B1053 MET CE :methyl -172:sc= -4.48 (180deg=-5.09!) USER MOD Set 2.2: B1091 TYR OH : rot -177:sc= 0.88 USER MOD Single : A 48 ASN : amide:sc= -0.241 X(o=-0.24,f=-0.01) USER MOD Single : B1058 MET CE :methyl 173:sc= -1.2 (180deg=-1.31) USER MOD Single : B1060 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B1062 MET CE :methyl -122:sc= -3.1 (180deg=-9.1!) USER MOD Single : B1063 SER OG : rot 180:sc= 0 USER MOD Single : B1087 SER OG : rot 180:sc= 0 USER MOD Single : B1088 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B1090 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B1097 THR OG1 : rot -160:sc= 0.958 USER MOD Single : B1099 ASN : amide:sc= 1.09 K(o=1.1,f=0) USER MOD Single : B1100 THR OG1 : rot -79:sc= 0.558 USER MOD Single : B1101 SER OG : rot 22:sc= -0.492 USER MOD Single : B1102 CYS SG : rot 48:sc= 0.618 USER MOD Single : B1110 CYS SG : rot 160:sc= -0.0588 USER MOD Single : B1115 HIS :FLIP no HD1:sc= -0.065 F(o=-0.58,f=-0.065) USER MOD Single : B1119 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0545) USER MOD Single : B1121 TYR OH : rot -152:sc= -0.841 USER MOD Single : B1122 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B1125 LYS NZ :NH3+ 178:sc= -0.0645 (180deg=-0.0929) USER MOD Single : B1126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 61 N MET B1053 -0.780 -7.482 12.181 1.00 0.00 N ATOM 62 CA MET B1053 -2.188 -7.763 11.925 1.00 0.00 C ATOM 63 C MET B1053 -2.351 -8.635 10.686 1.00 0.00 C ATOM 64 O MET B1053 -1.542 -8.580 9.765 1.00 0.00 O ATOM 65 CB MET B1053 -2.958 -6.460 11.720 1.00 0.00 C ATOM 66 CG MET B1053 -3.275 -5.829 13.076 1.00 0.00 C ATOM 67 SD MET B1053 -4.705 -4.729 12.912 1.00 0.00 S ATOM 68 CE MET B1053 -4.331 -4.091 11.260 1.00 0.00 C ATOM 0 HA MET B1053 -2.585 -8.294 12.790 1.00 0.00 H new ATOM 0 HB2 MET B1053 -2.369 -5.770 11.116 1.00 0.00 H new ATOM 0 HB3 MET B1053 -3.881 -6.654 11.174 1.00 0.00 H new ATOM 0 HG2 MET B1053 -3.483 -6.607 13.811 1.00 0.00 H new ATOM 0 HG3 MET B1053 -2.413 -5.270 13.439 1.00 0.00 H new ATOM 0 HE1 MET B1053 -5.019 -3.281 11.018 1.00 0.00 H new ATOM 0 HE2 MET B1053 -3.308 -3.717 11.238 1.00 0.00 H new ATOM 0 HE3 MET B1053 -4.441 -4.891 10.528 1.00 0.00 H new ATOM 78 N THR B1054 -3.411 -9.433 10.668 1.00 0.00 N ATOM 79 CA THR B1054 -3.677 -10.308 9.535 1.00 0.00 C ATOM 80 C THR B1054 -4.132 -9.481 8.331 1.00 0.00 C ATOM 81 O THR B1054 -4.529 -8.324 8.479 1.00 0.00 O ATOM 82 CB THR B1054 -4.757 -11.325 9.911 1.00 0.00 C ATOM 83 OG1 THR B1054 -6.007 -10.666 10.033 1.00 0.00 O ATOM 84 CG2 THR B1054 -4.396 -11.976 11.245 1.00 0.00 C ATOM 0 H THR B1054 -4.097 -9.492 11.421 1.00 0.00 H new ATOM 0 HA THR B1054 -2.763 -10.840 9.271 1.00 0.00 H new ATOM 0 HB THR B1054 -4.823 -12.089 9.136 1.00 0.00 H new ATOM 0 HG1 THR B1054 -6.699 -11.318 10.272 1.00 0.00 H new ATOM 0 HG21 THR B1054 -5.164 -12.701 11.516 1.00 0.00 H new ATOM 0 HG22 THR B1054 -3.435 -12.482 11.155 1.00 0.00 H new ATOM 0 HG23 THR B1054 -4.332 -11.210 12.018 1.00 0.00 H new ATOM 92 N PRO B1055 -4.070 -10.041 7.149 1.00 0.00 N ATOM 93 CA PRO B1055 -4.477 -9.321 5.905 1.00 0.00 C ATOM 94 C PRO B1055 -5.879 -8.728 6.025 1.00 0.00 C ATOM 95 O PRO B1055 -6.117 -7.587 5.628 1.00 0.00 O ATOM 96 CB PRO B1055 -4.452 -10.419 4.837 1.00 0.00 C ATOM 97 CG PRO B1055 -3.465 -11.418 5.337 1.00 0.00 C ATOM 98 CD PRO B1055 -3.603 -11.409 6.860 1.00 0.00 C ATOM 0 HA PRO B1055 -3.823 -8.478 5.682 1.00 0.00 H new ATOM 0 HB2 PRO B1055 -5.437 -10.867 4.708 1.00 0.00 H new ATOM 0 HB3 PRO B1055 -4.154 -10.020 3.867 1.00 0.00 H new ATOM 0 HG2 PRO B1055 -3.670 -12.408 4.931 1.00 0.00 H new ATOM 0 HG3 PRO B1055 -2.452 -11.153 5.034 1.00 0.00 H new ATOM 0 HD2 PRO B1055 -4.316 -12.159 7.204 1.00 0.00 H new ATOM 0 HD3 PRO B1055 -2.654 -11.622 7.351 1.00 0.00 H new ATOM 106 N GLU B1056 -6.803 -9.505 6.583 1.00 0.00 N ATOM 107 CA GLU B1056 -8.171 -9.037 6.749 1.00 0.00 C ATOM 108 C GLU B1056 -8.232 -7.892 7.754 1.00 0.00 C ATOM 109 O GLU B1056 -8.949 -6.914 7.550 1.00 0.00 O ATOM 110 CB GLU B1056 -9.065 -10.187 7.223 1.00 0.00 C ATOM 111 CG GLU B1056 -9.236 -11.199 6.091 1.00 0.00 C ATOM 112 CD GLU B1056 -9.968 -12.436 6.601 1.00 0.00 C ATOM 113 OE1 GLU B1056 -10.067 -12.583 7.808 1.00 0.00 O ATOM 114 OE2 GLU B1056 -10.418 -13.216 5.779 1.00 0.00 O ATOM 0 H GLU B1056 -6.630 -10.451 6.924 1.00 0.00 H new ATOM 0 HA GLU B1056 -8.528 -8.674 5.785 1.00 0.00 H new ATOM 0 HB2 GLU B1056 -8.622 -10.671 8.094 1.00 0.00 H new ATOM 0 HB3 GLU B1056 -10.037 -9.803 7.532 1.00 0.00 H new ATOM 0 HG2 GLU B1056 -9.795 -10.748 5.271 1.00 0.00 H new ATOM 0 HG3 GLU B1056 -8.261 -11.481 5.695 1.00 0.00 H new ATOM 121 N GLN B1057 -7.474 -8.015 8.842 1.00 0.00 N ATOM 122 CA GLN B1057 -7.465 -6.973 9.864 1.00 0.00 C ATOM 123 C GLN B1057 -6.922 -5.665 9.314 1.00 0.00 C ATOM 124 O GLN B1057 -7.463 -4.593 9.592 1.00 0.00 O ATOM 125 CB GLN B1057 -6.615 -7.407 11.054 1.00 0.00 C ATOM 126 CG GLN B1057 -7.355 -8.487 11.835 1.00 0.00 C ATOM 127 CD GLN B1057 -6.577 -8.823 13.100 1.00 0.00 C ATOM 128 OE1 GLN B1057 -6.131 -9.956 13.277 1.00 0.00 O ATOM 129 NE2 GLN B1057 -6.371 -7.887 13.986 1.00 0.00 N ATOM 0 H GLN B1057 -6.868 -8.812 9.036 1.00 0.00 H new ATOM 0 HA GLN B1057 -8.495 -6.817 10.184 1.00 0.00 H new ATOM 0 HB2 GLN B1057 -5.653 -7.786 10.709 1.00 0.00 H new ATOM 0 HB3 GLN B1057 -6.409 -6.553 11.699 1.00 0.00 H new ATOM 0 HG2 GLN B1057 -8.357 -8.143 12.092 1.00 0.00 H new ATOM 0 HG3 GLN B1057 -7.473 -9.379 11.220 1.00 0.00 H new ATOM 0 HE21 GLN B1057 -6.743 -6.950 13.834 1.00 0.00 H new ATOM 0 HE22 GLN B1057 -5.838 -8.093 14.831 1.00 0.00 H new ATOM 138 N MET B1058 -5.854 -5.751 8.534 1.00 0.00 N ATOM 139 CA MET B1058 -5.265 -4.554 7.962 1.00 0.00 C ATOM 140 C MET B1058 -6.247 -3.889 7.011 1.00 0.00 C ATOM 141 O MET B1058 -6.373 -2.667 6.988 1.00 0.00 O ATOM 142 CB MET B1058 -3.964 -4.888 7.225 1.00 0.00 C ATOM 143 CG MET B1058 -2.890 -5.282 8.241 1.00 0.00 C ATOM 144 SD MET B1058 -1.269 -5.345 7.431 1.00 0.00 S ATOM 145 CE MET B1058 -1.536 -6.835 6.440 1.00 0.00 C ATOM 0 H MET B1058 -5.386 -6.623 8.287 1.00 0.00 H new ATOM 0 HA MET B1058 -5.034 -3.864 8.774 1.00 0.00 H new ATOM 0 HB2 MET B1058 -4.131 -5.704 6.521 1.00 0.00 H new ATOM 0 HB3 MET B1058 -3.632 -4.028 6.643 1.00 0.00 H new ATOM 0 HG2 MET B1058 -2.870 -4.562 9.059 1.00 0.00 H new ATOM 0 HG3 MET B1058 -3.127 -6.253 8.676 1.00 0.00 H new ATOM 0 HE1 MET B1058 -0.691 -6.980 5.767 1.00 0.00 H new ATOM 0 HE2 MET B1058 -1.627 -7.699 7.099 1.00 0.00 H new ATOM 0 HE3 MET B1058 -2.450 -6.725 5.857 1.00 0.00 H new ATOM 155 N ALA B1059 -6.949 -4.697 6.232 1.00 0.00 N ATOM 156 CA ALA B1059 -7.917 -4.158 5.290 1.00 0.00 C ATOM 157 C ALA B1059 -9.029 -3.412 6.018 1.00 0.00 C ATOM 158 O ALA B1059 -9.461 -2.342 5.583 1.00 0.00 O ATOM 159 CB ALA B1059 -8.523 -5.284 4.458 1.00 0.00 C ATOM 0 H ALA B1059 -6.869 -5.714 6.232 1.00 0.00 H new ATOM 0 HA ALA B1059 -7.396 -3.459 4.635 1.00 0.00 H new ATOM 0 HB1 ALA B1059 -9.246 -4.869 3.756 1.00 0.00 H new ATOM 0 HB2 ALA B1059 -7.733 -5.794 3.906 1.00 0.00 H new ATOM 0 HB3 ALA B1059 -9.023 -5.994 5.116 1.00 0.00 H new ATOM 165 N LYS B1060 -9.494 -3.980 7.129 1.00 0.00 N ATOM 166 CA LYS B1060 -10.558 -3.351 7.900 1.00 0.00 C ATOM 167 C LYS B1060 -10.106 -1.998 8.427 1.00 0.00 C ATOM 168 O LYS B1060 -10.861 -1.024 8.397 1.00 0.00 O ATOM 169 CB LYS B1060 -10.959 -4.250 9.071 1.00 0.00 C ATOM 170 CG LYS B1060 -11.681 -5.493 8.546 1.00 0.00 C ATOM 171 CD LYS B1060 -12.059 -6.396 9.721 1.00 0.00 C ATOM 172 CE LYS B1060 -12.778 -7.641 9.199 1.00 0.00 C ATOM 173 NZ LYS B1060 -13.142 -8.523 10.344 1.00 0.00 N ATOM 0 H LYS B1060 -9.154 -4.863 7.510 1.00 0.00 H new ATOM 0 HA LYS B1060 -11.417 -3.205 7.246 1.00 0.00 H new ATOM 0 HB2 LYS B1060 -10.074 -4.543 9.636 1.00 0.00 H new ATOM 0 HB3 LYS B1060 -11.607 -3.703 9.756 1.00 0.00 H new ATOM 0 HG2 LYS B1060 -12.575 -5.202 7.995 1.00 0.00 H new ATOM 0 HG3 LYS B1060 -11.039 -6.033 7.850 1.00 0.00 H new ATOM 0 HD2 LYS B1060 -11.165 -6.685 10.274 1.00 0.00 H new ATOM 0 HD3 LYS B1060 -12.703 -5.856 10.416 1.00 0.00 H new ATOM 0 HE2 LYS B1060 -13.674 -7.353 8.649 1.00 0.00 H new ATOM 0 HE3 LYS B1060 -12.136 -8.179 8.502 1.00 0.00 H new ATOM 0 HZ1 LYS B1060 -13.631 -9.369 9.989 1.00 0.00 H new ATOM 0 HZ2 LYS B1060 -12.280 -8.808 10.850 1.00 0.00 H new ATOM 0 HZ3 LYS B1060 -13.770 -8.008 10.993 1.00 0.00 H new ATOM 187 N GLU B1061 -8.868 -1.935 8.906 1.00 0.00 N ATOM 188 CA GLU B1061 -8.348 -0.680 9.427 1.00 0.00 C ATOM 189 C GLU B1061 -8.262 0.368 8.321 1.00 0.00 C ATOM 190 O GLU B1061 -8.561 1.542 8.543 1.00 0.00 O ATOM 191 CB GLU B1061 -6.974 -0.886 10.060 1.00 0.00 C ATOM 192 CG GLU B1061 -7.125 -1.686 11.357 1.00 0.00 C ATOM 193 CD GLU B1061 -6.006 -1.319 12.323 1.00 0.00 C ATOM 194 OE1 GLU B1061 -5.050 -0.702 11.885 1.00 0.00 O ATOM 195 OE2 GLU B1061 -6.123 -1.658 13.490 1.00 0.00 O ATOM 0 H GLU B1061 -8.219 -2.721 8.944 1.00 0.00 H new ATOM 0 HA GLU B1061 -9.035 -0.323 10.194 1.00 0.00 H new ATOM 0 HB2 GLU B1061 -6.318 -1.415 9.368 1.00 0.00 H new ATOM 0 HB3 GLU B1061 -6.509 0.078 10.267 1.00 0.00 H new ATOM 0 HG2 GLU B1061 -8.093 -1.479 11.812 1.00 0.00 H new ATOM 0 HG3 GLU B1061 -7.096 -2.754 11.142 1.00 0.00 H new ATOM 202 N MET B1062 -7.853 -0.057 7.126 1.00 0.00 N ATOM 203 CA MET B1062 -7.736 0.868 6.006 1.00 0.00 C ATOM 204 C MET B1062 -9.092 1.482 5.675 1.00 0.00 C ATOM 205 O MET B1062 -9.194 2.682 5.427 1.00 0.00 O ATOM 206 CB MET B1062 -7.211 0.123 4.782 1.00 0.00 C ATOM 207 CG MET B1062 -5.761 -0.275 5.020 1.00 0.00 C ATOM 208 SD MET B1062 -5.232 -1.413 3.717 1.00 0.00 S ATOM 209 CE MET B1062 -4.055 -2.356 4.712 1.00 0.00 C ATOM 0 H MET B1062 -7.601 -1.022 6.913 1.00 0.00 H new ATOM 0 HA MET B1062 -7.045 1.664 6.283 1.00 0.00 H new ATOM 0 HB2 MET B1062 -7.817 -0.763 4.593 1.00 0.00 H new ATOM 0 HB3 MET B1062 -7.286 0.755 3.897 1.00 0.00 H new ATOM 0 HG2 MET B1062 -5.125 0.610 5.026 1.00 0.00 H new ATOM 0 HG3 MET B1062 -5.657 -0.748 5.996 1.00 0.00 H new ATOM 0 HE1 MET B1062 -3.067 -2.303 4.255 1.00 0.00 H new ATOM 0 HE2 MET B1062 -4.012 -1.938 5.718 1.00 0.00 H new ATOM 0 HE3 MET B1062 -4.375 -3.397 4.765 1.00 0.00 H new ATOM 219 N SER B1063 -10.131 0.653 5.679 1.00 0.00 N ATOM 220 CA SER B1063 -11.473 1.139 5.379 1.00 0.00 C ATOM 221 C SER B1063 -11.912 2.169 6.411 1.00 0.00 C ATOM 222 O SER B1063 -12.501 3.195 6.070 1.00 0.00 O ATOM 223 CB SER B1063 -12.465 -0.025 5.358 1.00 0.00 C ATOM 224 OG SER B1063 -13.766 0.475 5.074 1.00 0.00 O ATOM 0 H SER B1063 -10.072 -0.345 5.884 1.00 0.00 H new ATOM 0 HA SER B1063 -11.454 1.611 4.397 1.00 0.00 H new ATOM 0 HB2 SER B1063 -12.171 -0.756 4.605 1.00 0.00 H new ATOM 0 HB3 SER B1063 -12.462 -0.539 6.319 1.00 0.00 H new ATOM 0 HG SER B1063 -14.405 -0.267 5.058 1.00 0.00 H new ATOM 230 N GLU B1064 -11.628 1.887 7.676 1.00 0.00 N ATOM 231 CA GLU B1064 -12.003 2.793 8.754 1.00 0.00 C ATOM 232 C GLU B1064 -11.325 4.149 8.587 1.00 0.00 C ATOM 233 O GLU B1064 -11.944 5.189 8.804 1.00 0.00 O ATOM 234 CB GLU B1064 -11.594 2.191 10.094 1.00 0.00 C ATOM 235 CG GLU B1064 -12.484 0.987 10.411 1.00 0.00 C ATOM 236 CD GLU B1064 -11.995 0.292 11.677 1.00 0.00 C ATOM 237 OE1 GLU B1064 -10.904 0.611 12.123 1.00 0.00 O ATOM 238 OE2 GLU B1064 -12.719 -0.549 12.186 1.00 0.00 O ATOM 0 H GLU B1064 -11.142 1.043 7.980 1.00 0.00 H new ATOM 0 HA GLU B1064 -13.083 2.935 8.721 1.00 0.00 H new ATOM 0 HB2 GLU B1064 -10.549 1.884 10.062 1.00 0.00 H new ATOM 0 HB3 GLU B1064 -11.683 2.939 10.882 1.00 0.00 H new ATOM 0 HG2 GLU B1064 -13.516 1.312 10.541 1.00 0.00 H new ATOM 0 HG3 GLU B1064 -12.473 0.287 9.575 1.00 0.00 H new ATOM 559 N LEU B1086 3.079 6.241 -2.269 1.00 0.00 N ATOM 560 CA LEU B1086 3.557 5.710 -0.996 1.00 0.00 C ATOM 561 C LEU B1086 3.390 4.196 -0.956 1.00 0.00 C ATOM 562 O LEU B1086 3.421 3.589 0.112 1.00 0.00 O ATOM 563 CB LEU B1086 2.774 6.337 0.154 1.00 0.00 C ATOM 564 CG LEU B1086 2.946 7.850 0.100 1.00 0.00 C ATOM 565 CD1 LEU B1086 2.012 8.509 1.115 1.00 0.00 C ATOM 566 CD2 LEU B1086 4.392 8.223 0.433 1.00 0.00 C ATOM 0 HA LEU B1086 4.614 5.954 -0.893 1.00 0.00 H new ATOM 0 HB2 LEU B1086 1.719 6.075 0.079 1.00 0.00 H new ATOM 0 HB3 LEU B1086 3.131 5.951 1.108 1.00 0.00 H new ATOM 0 HG LEU B1086 2.704 8.198 -0.904 1.00 0.00 H new ATOM 0 HD11 LEU B1086 2.136 9.591 1.075 1.00 0.00 H new ATOM 0 HD12 LEU B1086 0.979 8.254 0.878 1.00 0.00 H new ATOM 0 HD13 LEU B1086 2.254 8.153 2.116 1.00 0.00 H new ATOM 0 HD21 LEU B1086 4.507 9.306 0.392 1.00 0.00 H new ATOM 0 HD22 LEU B1086 4.638 7.869 1.434 1.00 0.00 H new ATOM 0 HD23 LEU B1086 5.063 7.760 -0.290 1.00 0.00 H new ATOM 578 N SER B1087 3.215 3.594 -2.125 1.00 0.00 N ATOM 579 CA SER B1087 3.044 2.150 -2.210 1.00 0.00 C ATOM 580 C SER B1087 4.282 1.442 -1.671 1.00 0.00 C ATOM 581 O SER B1087 4.239 0.257 -1.341 1.00 0.00 O ATOM 582 CB SER B1087 2.793 1.732 -3.662 1.00 0.00 C ATOM 583 OG SER B1087 3.914 2.086 -4.463 1.00 0.00 O ATOM 0 H SER B1087 3.188 4.079 -3.022 1.00 0.00 H new ATOM 0 HA SER B1087 2.182 1.864 -1.607 1.00 0.00 H new ATOM 0 HB2 SER B1087 2.620 0.657 -3.716 1.00 0.00 H new ATOM 0 HB3 SER B1087 1.895 2.219 -4.041 1.00 0.00 H new ATOM 0 HG SER B1087 3.751 1.816 -5.391 1.00 0.00 H new ATOM 589 N LYS B1088 5.386 2.174 -1.585 1.00 0.00 N ATOM 590 CA LYS B1088 6.628 1.602 -1.078 1.00 0.00 C ATOM 591 C LYS B1088 6.691 1.692 0.447 1.00 0.00 C ATOM 592 O LYS B1088 7.535 1.058 1.080 1.00 0.00 O ATOM 593 CB LYS B1088 7.822 2.339 -1.680 1.00 0.00 C ATOM 594 CG LYS B1088 7.859 2.094 -3.188 1.00 0.00 C ATOM 595 CD LYS B1088 8.956 2.950 -3.820 1.00 0.00 C ATOM 596 CE LYS B1088 10.324 2.459 -3.344 1.00 0.00 C ATOM 597 NZ LYS B1088 11.396 3.209 -4.059 1.00 0.00 N ATOM 0 H LYS B1088 5.448 3.155 -1.857 1.00 0.00 H new ATOM 0 HA LYS B1088 6.660 0.551 -1.366 1.00 0.00 H new ATOM 0 HB2 LYS B1088 7.746 3.407 -1.475 1.00 0.00 H new ATOM 0 HB3 LYS B1088 8.748 1.992 -1.221 1.00 0.00 H new ATOM 0 HG2 LYS B1088 8.045 1.039 -3.391 1.00 0.00 H new ATOM 0 HG3 LYS B1088 6.893 2.338 -3.630 1.00 0.00 H new ATOM 0 HD2 LYS B1088 8.895 2.893 -4.907 1.00 0.00 H new ATOM 0 HD3 LYS B1088 8.818 3.996 -3.547 1.00 0.00 H new ATOM 0 HE2 LYS B1088 10.420 2.603 -2.268 1.00 0.00 H new ATOM 0 HE3 LYS B1088 10.425 1.390 -3.533 1.00 0.00 H new ATOM 0 HZ1 LYS B1088 12.327 2.876 -3.736 1.00 0.00 H new ATOM 0 HZ2 LYS B1088 11.307 3.050 -5.083 1.00 0.00 H new ATOM 0 HZ3 LYS B1088 11.303 4.225 -3.857 1.00 0.00 H new ATOM 611 N TRP B1089 5.801 2.488 1.032 1.00 0.00 N ATOM 612 CA TRP B1089 5.768 2.660 2.481 1.00 0.00 C ATOM 613 C TRP B1089 5.026 1.514 3.145 1.00 0.00 C ATOM 614 O TRP B1089 3.937 1.139 2.721 1.00 0.00 O ATOM 615 CB TRP B1089 5.071 3.976 2.837 1.00 0.00 C ATOM 616 CG TRP B1089 5.974 5.118 2.518 1.00 0.00 C ATOM 617 CD1 TRP B1089 6.623 5.283 1.348 1.00 0.00 C ATOM 618 CD2 TRP B1089 6.338 6.255 3.355 1.00 0.00 C ATOM 619 NE1 TRP B1089 7.367 6.436 1.409 1.00 0.00 N ATOM 620 CE2 TRP B1089 7.227 7.078 2.623 1.00 0.00 C ATOM 621 CE3 TRP B1089 5.992 6.650 4.662 1.00 0.00 C ATOM 622 CZ2 TRP B1089 7.755 8.250 3.167 1.00 0.00 C ATOM 623 CZ3 TRP B1089 6.521 7.831 5.210 1.00 0.00 C ATOM 624 CH2 TRP B1089 7.401 8.628 4.462 1.00 0.00 C ATOM 0 H TRP B1089 5.095 3.023 0.527 1.00 0.00 H new ATOM 0 HA TRP B1089 6.797 2.675 2.841 1.00 0.00 H new ATOM 0 HB2 TRP B1089 4.139 4.069 2.280 1.00 0.00 H new ATOM 0 HB3 TRP B1089 4.812 3.988 3.896 1.00 0.00 H new ATOM 0 HD1 TRP B1089 6.567 4.617 0.500 1.00 0.00 H new ATOM 0 HE1 TRP B1089 7.953 6.777 0.647 1.00 0.00 H new ATOM 0 HE3 TRP B1089 5.317 6.042 5.246 1.00 0.00 H new ATOM 0 HZ2 TRP B1089 8.433 8.860 2.589 1.00 0.00 H new ATOM 0 HZ3 TRP B1089 6.249 8.127 6.212 1.00 0.00 H new ATOM 0 HH2 TRP B1089 7.804 9.534 4.889 1.00 0.00 H new ATOM 635 N LYS B1090 5.611 0.973 4.200 1.00 0.00 N ATOM 636 CA LYS B1090 4.982 -0.128 4.923 1.00 0.00 C ATOM 637 C LYS B1090 3.646 0.302 5.508 1.00 0.00 C ATOM 638 O LYS B1090 3.384 1.491 5.686 1.00 0.00 O ATOM 639 CB LYS B1090 5.898 -0.609 6.041 1.00 0.00 C ATOM 640 CG LYS B1090 7.078 -1.350 5.432 1.00 0.00 C ATOM 641 CD LYS B1090 8.041 -1.768 6.539 1.00 0.00 C ATOM 642 CE LYS B1090 9.228 -2.528 5.938 1.00 0.00 C ATOM 643 NZ LYS B1090 10.177 -2.916 7.023 1.00 0.00 N ATOM 0 H LYS B1090 6.511 1.272 4.575 1.00 0.00 H new ATOM 0 HA LYS B1090 4.809 -0.942 4.219 1.00 0.00 H new ATOM 0 HB2 LYS B1090 6.249 0.238 6.630 1.00 0.00 H new ATOM 0 HB3 LYS B1090 5.352 -1.264 6.719 1.00 0.00 H new ATOM 0 HG2 LYS B1090 6.729 -2.228 4.888 1.00 0.00 H new ATOM 0 HG3 LYS B1090 7.590 -0.712 4.712 1.00 0.00 H new ATOM 0 HD2 LYS B1090 8.396 -0.888 7.076 1.00 0.00 H new ATOM 0 HD3 LYS B1090 7.525 -2.397 7.264 1.00 0.00 H new ATOM 0 HE2 LYS B1090 8.876 -3.417 5.414 1.00 0.00 H new ATOM 0 HE3 LYS B1090 9.736 -1.905 5.202 1.00 0.00 H new ATOM 0 HZ1 LYS B1090 10.982 -3.432 6.613 1.00 0.00 H new ATOM 0 HZ2 LYS B1090 10.523 -2.061 7.504 1.00 0.00 H new ATOM 0 HZ3 LYS B1090 9.689 -3.526 7.709 1.00 0.00 H new ATOM 657 N TYR B1091 2.804 -0.676 5.807 1.00 0.00 N ATOM 658 CA TYR B1091 1.496 -0.388 6.376 1.00 0.00 C ATOM 659 C TYR B1091 1.657 0.395 7.666 1.00 0.00 C ATOM 660 O TYR B1091 1.002 1.417 7.872 1.00 0.00 O ATOM 661 CB TYR B1091 0.742 -1.692 6.659 1.00 0.00 C ATOM 662 CG TYR B1091 -0.521 -1.392 7.435 1.00 0.00 C ATOM 663 CD1 TYR B1091 -1.616 -0.797 6.795 1.00 0.00 C ATOM 664 CD2 TYR B1091 -0.597 -1.713 8.796 1.00 0.00 C ATOM 665 CE1 TYR B1091 -2.783 -0.523 7.517 1.00 0.00 C ATOM 666 CE2 TYR B1091 -1.765 -1.439 9.517 1.00 0.00 C ATOM 667 CZ TYR B1091 -2.858 -0.843 8.878 1.00 0.00 C ATOM 668 OH TYR B1091 -4.010 -0.572 9.589 1.00 0.00 O ATOM 0 H TYR B1091 3.000 -1.667 5.667 1.00 0.00 H new ATOM 0 HA TYR B1091 0.926 0.204 5.660 1.00 0.00 H new ATOM 0 HB2 TYR B1091 0.495 -2.191 5.722 1.00 0.00 H new ATOM 0 HB3 TYR B1091 1.375 -2.374 7.226 1.00 0.00 H new ATOM 0 HD1 TYR B1091 -1.560 -0.550 5.745 1.00 0.00 H new ATOM 0 HD2 TYR B1091 0.246 -2.172 9.290 1.00 0.00 H new ATOM 0 HE1 TYR B1091 -3.627 -0.064 7.024 1.00 0.00 H new ATOM 0 HE2 TYR B1091 -1.823 -1.688 10.566 1.00 0.00 H new ATOM 0 HH TYR B1091 -3.878 -0.813 10.530 1.00 0.00 H new ATOM 678 N ALA B1092 2.539 -0.087 8.531 1.00 0.00 N ATOM 679 CA ALA B1092 2.778 0.592 9.799 1.00 0.00 C ATOM 680 C ALA B1092 3.330 1.997 9.563 1.00 0.00 C ATOM 681 O ALA B1092 2.968 2.942 10.264 1.00 0.00 O ATOM 682 CB ALA B1092 3.760 -0.211 10.652 1.00 0.00 C ATOM 0 H ALA B1092 3.093 -0.931 8.383 1.00 0.00 H new ATOM 0 HA ALA B1092 1.828 0.673 10.327 1.00 0.00 H new ATOM 0 HB1 ALA B1092 3.930 0.307 11.596 1.00 0.00 H new ATOM 0 HB2 ALA B1092 3.346 -1.200 10.850 1.00 0.00 H new ATOM 0 HB3 ALA B1092 4.705 -0.314 10.119 1.00 0.00 H new ATOM 688 N GLU B1093 4.217 2.123 8.579 1.00 0.00 N ATOM 689 CA GLU B1093 4.827 3.410 8.262 1.00 0.00 C ATOM 690 C GLU B1093 3.778 4.415 7.795 1.00 0.00 C ATOM 691 O GLU B1093 3.792 5.576 8.203 1.00 0.00 O ATOM 692 CB GLU B1093 5.876 3.230 7.161 1.00 0.00 C ATOM 693 CG GLU B1093 7.084 2.465 7.714 1.00 0.00 C ATOM 694 CD GLU B1093 8.064 2.159 6.587 1.00 0.00 C ATOM 695 OE1 GLU B1093 7.713 2.395 5.443 1.00 0.00 O ATOM 696 OE2 GLU B1093 9.151 1.690 6.883 1.00 0.00 O ATOM 0 H GLU B1093 4.528 1.351 7.989 1.00 0.00 H new ATOM 0 HA GLU B1093 5.298 3.792 9.167 1.00 0.00 H new ATOM 0 HB2 GLU B1093 5.444 2.687 6.320 1.00 0.00 H new ATOM 0 HB3 GLU B1093 6.192 4.203 6.784 1.00 0.00 H new ATOM 0 HG2 GLU B1093 7.577 3.055 8.486 1.00 0.00 H new ATOM 0 HG3 GLU B1093 6.755 1.538 8.183 1.00 0.00 H new ATOM 703 N LEU B1094 2.862 3.962 6.946 1.00 0.00 N ATOM 704 CA LEU B1094 1.809 4.835 6.447 1.00 0.00 C ATOM 705 C LEU B1094 0.910 5.282 7.582 1.00 0.00 C ATOM 706 O LEU B1094 0.488 6.435 7.638 1.00 0.00 O ATOM 707 CB LEU B1094 0.989 4.112 5.382 1.00 0.00 C ATOM 708 CG LEU B1094 1.829 3.977 4.116 1.00 0.00 C ATOM 709 CD1 LEU B1094 1.167 2.987 3.156 1.00 0.00 C ATOM 710 CD2 LEU B1094 1.930 5.344 3.435 1.00 0.00 C ATOM 0 H LEU B1094 2.828 3.006 6.593 1.00 0.00 H new ATOM 0 HA LEU B1094 2.270 5.716 6.001 1.00 0.00 H new ATOM 0 HB2 LEU B1094 0.689 3.128 5.742 1.00 0.00 H new ATOM 0 HB3 LEU B1094 0.075 4.666 5.170 1.00 0.00 H new ATOM 0 HG LEU B1094 2.823 3.615 4.379 1.00 0.00 H new ATOM 0 HD11 LEU B1094 1.772 2.895 2.254 1.00 0.00 H new ATOM 0 HD12 LEU B1094 1.084 2.013 3.638 1.00 0.00 H new ATOM 0 HD13 LEU B1094 0.173 3.347 2.891 1.00 0.00 H new ATOM 0 HD21 LEU B1094 2.529 5.256 2.529 1.00 0.00 H new ATOM 0 HD22 LEU B1094 0.931 5.697 3.177 1.00 0.00 H new ATOM 0 HD23 LEU B1094 2.401 6.055 4.114 1.00 0.00 H new ATOM 722 N ARG B1095 0.624 4.365 8.492 1.00 0.00 N ATOM 723 CA ARG B1095 -0.223 4.685 9.623 1.00 0.00 C ATOM 724 C ARG B1095 0.402 5.815 10.434 1.00 0.00 C ATOM 725 O ARG B1095 -0.266 6.790 10.785 1.00 0.00 O ATOM 726 CB ARG B1095 -0.385 3.449 10.499 1.00 0.00 C ATOM 727 CG ARG B1095 -1.353 3.763 11.641 1.00 0.00 C ATOM 728 CD ARG B1095 -1.486 2.542 12.553 1.00 0.00 C ATOM 729 NE ARG B1095 -0.246 2.320 13.289 1.00 0.00 N ATOM 730 CZ ARG B1095 -0.090 1.279 14.110 1.00 0.00 C ATOM 731 NH1 ARG B1095 -1.059 0.419 14.291 1.00 0.00 N ATOM 732 NH2 ARG B1095 1.039 1.118 14.740 1.00 0.00 N ATOM 0 H ARG B1095 0.963 3.403 8.469 1.00 0.00 H new ATOM 0 HA ARG B1095 -1.201 5.006 9.264 1.00 0.00 H new ATOM 0 HB2 ARG B1095 -0.762 2.616 9.906 1.00 0.00 H new ATOM 0 HB3 ARG B1095 0.582 3.144 10.900 1.00 0.00 H new ATOM 0 HG2 ARG B1095 -0.992 4.618 12.212 1.00 0.00 H new ATOM 0 HG3 ARG B1095 -2.328 4.037 11.239 1.00 0.00 H new ATOM 0 HD2 ARG B1095 -2.310 2.690 13.252 1.00 0.00 H new ATOM 0 HD3 ARG B1095 -1.726 1.661 11.959 1.00 0.00 H new ATOM 0 HE ARG B1095 0.524 2.979 13.173 1.00 0.00 H new ATOM 0 HH11 ARG B1095 -1.946 0.540 13.802 1.00 0.00 H new ATOM 0 HH12 ARG B1095 -0.927 -0.372 14.921 1.00 0.00 H new ATOM 0 HH21 ARG B1095 1.798 1.786 14.605 1.00 0.00 H new ATOM 0 HH22 ARG B1095 1.164 0.324 15.369 1.00 0.00 H new ATOM 746 N ASP B1096 1.695 5.684 10.713 1.00 0.00 N ATOM 747 CA ASP B1096 2.402 6.706 11.472 1.00 0.00 C ATOM 748 C ASP B1096 2.437 8.014 10.689 1.00 0.00 C ATOM 749 O ASP B1096 2.275 9.092 11.260 1.00 0.00 O ATOM 750 CB ASP B1096 3.828 6.249 11.777 1.00 0.00 C ATOM 751 CG ASP B1096 4.483 7.220 12.754 1.00 0.00 C ATOM 752 OD1 ASP B1096 3.869 8.230 13.057 1.00 0.00 O ATOM 753 OD2 ASP B1096 5.591 6.941 13.183 1.00 0.00 O ATOM 0 H ASP B1096 2.268 4.890 10.428 1.00 0.00 H new ATOM 0 HA ASP B1096 1.873 6.867 12.411 1.00 0.00 H new ATOM 0 HB2 ASP B1096 3.815 5.245 12.201 1.00 0.00 H new ATOM 0 HB3 ASP B1096 4.409 6.198 10.856 1.00 0.00 H new ATOM 758 N THR B1097 2.650 7.919 9.377 1.00 0.00 N ATOM 759 CA THR B1097 2.704 9.114 8.549 1.00 0.00 C ATOM 760 C THR B1097 1.384 9.877 8.623 1.00 0.00 C ATOM 761 O THR B1097 1.372 11.098 8.752 1.00 0.00 O ATOM 762 CB THR B1097 3.000 8.732 7.100 1.00 0.00 C ATOM 763 OG1 THR B1097 4.263 8.085 7.039 1.00 0.00 O ATOM 764 CG2 THR B1097 3.021 9.990 6.233 1.00 0.00 C ATOM 0 H THR B1097 2.785 7.041 8.875 1.00 0.00 H new ATOM 0 HA THR B1097 3.501 9.757 8.922 1.00 0.00 H new ATOM 0 HB THR B1097 2.227 8.058 6.731 1.00 0.00 H new ATOM 0 HG1 THR B1097 4.605 8.121 6.121 1.00 0.00 H new ATOM 0 HG21 THR B1097 3.232 9.716 5.199 1.00 0.00 H new ATOM 0 HG22 THR B1097 2.051 10.485 6.286 1.00 0.00 H new ATOM 0 HG23 THR B1097 3.794 10.668 6.594 1.00 0.00 H new ATOM 772 N ILE B1098 0.273 9.155 8.542 1.00 0.00 N ATOM 773 CA ILE B1098 -1.040 9.787 8.597 1.00 0.00 C ATOM 774 C ILE B1098 -1.225 10.530 9.917 1.00 0.00 C ATOM 775 O ILE B1098 -1.669 11.678 9.936 1.00 0.00 O ATOM 776 CB ILE B1098 -2.131 8.725 8.454 1.00 0.00 C ATOM 777 CG1 ILE B1098 -2.090 8.153 7.040 1.00 0.00 C ATOM 778 CG2 ILE B1098 -3.504 9.353 8.708 1.00 0.00 C ATOM 779 CD1 ILE B1098 -2.982 6.914 6.958 1.00 0.00 C ATOM 0 H ILE B1098 0.254 8.140 8.439 1.00 0.00 H new ATOM 0 HA ILE B1098 -1.113 10.502 7.778 1.00 0.00 H new ATOM 0 HB ILE B1098 -1.961 7.930 9.180 1.00 0.00 H new ATOM 0 HG12 ILE B1098 -2.427 8.903 6.324 1.00 0.00 H new ATOM 0 HG13 ILE B1098 -1.066 7.894 6.772 1.00 0.00 H new ATOM 0 HG21 ILE B1098 -4.277 8.592 8.605 1.00 0.00 H new ATOM 0 HG22 ILE B1098 -3.534 9.766 9.716 1.00 0.00 H new ATOM 0 HG23 ILE B1098 -3.680 10.149 7.984 1.00 0.00 H new ATOM 0 HD11 ILE B1098 -2.950 6.509 5.947 1.00 0.00 H new ATOM 0 HD12 ILE B1098 -2.626 6.162 7.662 1.00 0.00 H new ATOM 0 HD13 ILE B1098 -4.007 7.187 7.207 1.00 0.00 H new ATOM 791 N ASN B1099 -0.877 9.874 11.016 1.00 0.00 N ATOM 792 CA ASN B1099 -1.010 10.488 12.332 1.00 0.00 C ATOM 793 C ASN B1099 -0.125 11.725 12.443 1.00 0.00 C ATOM 794 O ASN B1099 -0.501 12.714 13.073 1.00 0.00 O ATOM 795 CB ASN B1099 -0.643 9.472 13.413 1.00 0.00 C ATOM 796 CG ASN B1099 -1.831 8.546 13.655 1.00 0.00 C ATOM 797 OD1 ASN B1099 -2.592 8.745 14.602 1.00 0.00 O ATOM 798 ND2 ASN B1099 -2.062 7.568 12.821 1.00 0.00 N ATOM 0 H ASN B1099 -0.504 8.925 11.024 1.00 0.00 H new ATOM 0 HA ASN B1099 -2.045 10.800 12.471 1.00 0.00 H new ATOM 0 HB2 ASN B1099 0.228 8.893 13.104 1.00 0.00 H new ATOM 0 HB3 ASN B1099 -0.373 9.986 14.336 1.00 0.00 H new ATOM 0 HD21 ASN B1099 -2.875 6.966 12.953 1.00 0.00 H new ATOM 0 HD22 ASN B1099 -1.430 7.406 12.037 1.00 0.00 H new ATOM 805 N THR B1100 1.054 11.659 11.834 1.00 0.00 N ATOM 806 CA THR B1100 1.988 12.778 11.875 1.00 0.00 C ATOM 807 C THR B1100 1.762 13.744 10.713 1.00 0.00 C ATOM 808 O THR B1100 2.443 14.765 10.610 1.00 0.00 O ATOM 809 CB THR B1100 3.422 12.251 11.826 1.00 0.00 C ATOM 810 OG1 THR B1100 3.620 11.522 10.623 1.00 0.00 O ATOM 811 CG2 THR B1100 3.661 11.338 13.025 1.00 0.00 C ATOM 0 H THR B1100 1.384 10.849 11.310 1.00 0.00 H new ATOM 0 HA THR B1100 1.818 13.322 12.804 1.00 0.00 H new ATOM 0 HB THR B1100 4.122 13.086 11.858 1.00 0.00 H new ATOM 0 HG1 THR B1100 3.241 10.623 10.719 1.00 0.00 H new ATOM 0 HG21 THR B1100 4.682 10.959 12.996 1.00 0.00 H new ATOM 0 HG22 THR B1100 3.509 11.900 13.946 1.00 0.00 H new ATOM 0 HG23 THR B1100 2.962 10.502 12.991 1.00 0.00 H new ATOM 819 N SER B1101 0.812 13.425 9.836 1.00 0.00 N ATOM 820 CA SER B1101 0.533 14.281 8.698 1.00 0.00 C ATOM 821 C SER B1101 0.085 15.659 9.153 1.00 0.00 C ATOM 822 O SER B1101 -0.815 15.794 9.983 1.00 0.00 O ATOM 823 CB SER B1101 -0.561 13.664 7.836 1.00 0.00 C ATOM 824 OG SER B1101 -0.073 12.476 7.233 1.00 0.00 O ATOM 0 H SER B1101 0.231 12.588 9.895 1.00 0.00 H new ATOM 0 HA SER B1101 1.451 14.379 8.119 1.00 0.00 H new ATOM 0 HB2 SER B1101 -1.437 13.442 8.445 1.00 0.00 H new ATOM 0 HB3 SER B1101 -0.877 14.371 7.069 1.00 0.00 H new ATOM 0 HG SER B1101 0.681 12.131 7.754 1.00 0.00 H new ATOM 830 N CYS B1102 0.712 16.676 8.589 1.00 0.00 N ATOM 831 CA CYS B1102 0.373 18.051 8.916 1.00 0.00 C ATOM 832 C CYS B1102 -0.240 18.757 7.705 1.00 0.00 C ATOM 833 O CYS B1102 -0.640 19.918 7.795 1.00 0.00 O ATOM 834 CB CYS B1102 1.627 18.800 9.369 1.00 0.00 C ATOM 835 SG CYS B1102 2.287 18.018 10.862 1.00 0.00 S ATOM 0 H CYS B1102 1.459 16.576 7.902 1.00 0.00 H new ATOM 0 HA CYS B1102 -0.359 18.045 9.724 1.00 0.00 H new ATOM 0 HB2 CYS B1102 2.376 18.789 8.578 1.00 0.00 H new ATOM 0 HB3 CYS B1102 1.388 19.845 9.567 1.00 0.00 H new ATOM 0 HG CYS B1102 2.340 16.731 10.690 1.00 0.00 H new ATOM 841 N ASP B1103 -0.309 18.055 6.573 1.00 0.00 N ATOM 842 CA ASP B1103 -0.874 18.637 5.359 1.00 0.00 C ATOM 843 C ASP B1103 -1.957 17.732 4.781 1.00 0.00 C ATOM 844 O ASP B1103 -1.919 16.514 4.954 1.00 0.00 O ATOM 845 CB ASP B1103 0.228 18.852 4.321 1.00 0.00 C ATOM 846 CG ASP B1103 1.140 19.995 4.755 1.00 0.00 C ATOM 847 OD1 ASP B1103 0.762 20.715 5.666 1.00 0.00 O ATOM 848 OD2 ASP B1103 2.201 20.134 4.172 1.00 0.00 O ATOM 0 H ASP B1103 0.016 17.093 6.473 1.00 0.00 H new ATOM 0 HA ASP B1103 -1.322 19.597 5.614 1.00 0.00 H new ATOM 0 HB2 ASP B1103 0.809 17.938 4.201 1.00 0.00 H new ATOM 0 HB3 ASP B1103 -0.214 19.078 3.351 1.00 0.00 H new ATOM 853 N ILE B1104 -2.921 18.332 4.090 1.00 0.00 N ATOM 854 CA ILE B1104 -4.004 17.567 3.491 1.00 0.00 C ATOM 855 C ILE B1104 -3.492 16.723 2.326 1.00 0.00 C ATOM 856 O ILE B1104 -4.046 15.668 2.024 1.00 0.00 O ATOM 857 CB ILE B1104 -5.100 18.519 3.004 1.00 0.00 C ATOM 858 CG1 ILE B1104 -4.515 19.494 1.977 1.00 0.00 C ATOM 859 CG2 ILE B1104 -5.663 19.304 4.189 1.00 0.00 C ATOM 860 CD1 ILE B1104 -5.641 20.340 1.376 1.00 0.00 C ATOM 0 H ILE B1104 -2.973 19.338 3.933 1.00 0.00 H new ATOM 0 HA ILE B1104 -4.414 16.896 4.246 1.00 0.00 H new ATOM 0 HB ILE B1104 -5.899 17.940 2.541 1.00 0.00 H new ATOM 0 HG12 ILE B1104 -3.775 20.139 2.452 1.00 0.00 H new ATOM 0 HG13 ILE B1104 -4.000 18.944 1.190 1.00 0.00 H new ATOM 0 HG21 ILE B1104 -6.443 19.981 3.840 1.00 0.00 H new ATOM 0 HG22 ILE B1104 -6.084 18.611 4.918 1.00 0.00 H new ATOM 0 HG23 ILE B1104 -4.864 19.881 4.656 1.00 0.00 H new ATOM 0 HD11 ILE B1104 -5.225 21.034 0.645 1.00 0.00 H new ATOM 0 HD12 ILE B1104 -6.364 19.688 0.886 1.00 0.00 H new ATOM 0 HD13 ILE B1104 -6.137 20.901 2.168 1.00 0.00 H new ATOM 872 N GLU B1105 -2.432 17.195 1.682 1.00 0.00 N ATOM 873 CA GLU B1105 -1.852 16.481 0.552 1.00 0.00 C ATOM 874 C GLU B1105 -1.298 15.134 1.000 1.00 0.00 C ATOM 875 O GLU B1105 -1.525 14.110 0.360 1.00 0.00 O ATOM 876 CB GLU B1105 -0.725 17.317 -0.065 1.00 0.00 C ATOM 877 CG GLU B1105 -1.320 18.540 -0.770 1.00 0.00 C ATOM 878 CD GLU B1105 -0.204 19.469 -1.239 1.00 0.00 C ATOM 879 OE1 GLU B1105 0.926 19.263 -0.826 1.00 0.00 O ATOM 880 OE2 GLU B1105 -0.495 20.375 -2.003 1.00 0.00 O ATOM 0 H GLU B1105 -1.958 18.066 1.922 1.00 0.00 H new ATOM 0 HA GLU B1105 -2.632 16.312 -0.190 1.00 0.00 H new ATOM 0 HB2 GLU B1105 -0.028 17.635 0.710 1.00 0.00 H new ATOM 0 HB3 GLU B1105 -0.159 16.715 -0.775 1.00 0.00 H new ATOM 0 HG2 GLU B1105 -1.921 18.222 -1.622 1.00 0.00 H new ATOM 0 HG3 GLU B1105 -1.986 19.073 -0.091 1.00 0.00 H new ATOM 887 N LEU B1106 -0.585 15.141 2.118 1.00 0.00 N ATOM 888 CA LEU B1106 -0.019 13.911 2.650 1.00 0.00 C ATOM 889 C LEU B1106 -1.136 12.972 3.095 1.00 0.00 C ATOM 890 O LEU B1106 -1.066 11.760 2.890 1.00 0.00 O ATOM 891 CB LEU B1106 0.893 14.224 3.836 1.00 0.00 C ATOM 892 CG LEU B1106 1.521 12.929 4.350 1.00 0.00 C ATOM 893 CD1 LEU B1106 2.462 12.357 3.288 1.00 0.00 C ATOM 894 CD2 LEU B1106 2.308 13.221 5.631 1.00 0.00 C ATOM 0 H LEU B1106 -0.387 15.976 2.669 1.00 0.00 H new ATOM 0 HA LEU B1106 0.566 13.427 1.868 1.00 0.00 H new ATOM 0 HB2 LEU B1106 1.672 14.924 3.535 1.00 0.00 H new ATOM 0 HB3 LEU B1106 0.322 14.705 4.631 1.00 0.00 H new ATOM 0 HG LEU B1106 0.736 12.203 4.562 1.00 0.00 H new ATOM 0 HD11 LEU B1106 2.909 11.434 3.657 1.00 0.00 H new ATOM 0 HD12 LEU B1106 1.900 12.150 2.377 1.00 0.00 H new ATOM 0 HD13 LEU B1106 3.249 13.080 3.072 1.00 0.00 H new ATOM 0 HD21 LEU B1106 2.757 12.299 6.000 1.00 0.00 H new ATOM 0 HD22 LEU B1106 3.093 13.947 5.418 1.00 0.00 H new ATOM 0 HD23 LEU B1106 1.635 13.625 6.387 1.00 0.00 H new ATOM 906 N LEU B1107 -2.162 13.543 3.717 1.00 0.00 N ATOM 907 CA LEU B1107 -3.285 12.749 4.199 1.00 0.00 C ATOM 908 C LEU B1107 -3.962 12.052 3.029 1.00 0.00 C ATOM 909 O LEU B1107 -4.305 10.873 3.105 1.00 0.00 O ATOM 910 CB LEU B1107 -4.291 13.662 4.899 1.00 0.00 C ATOM 911 CG LEU B1107 -3.690 14.160 6.214 1.00 0.00 C ATOM 912 CD1 LEU B1107 -4.533 15.312 6.764 1.00 0.00 C ATOM 913 CD2 LEU B1107 -3.673 13.017 7.229 1.00 0.00 C ATOM 0 H LEU B1107 -2.239 14.544 3.898 1.00 0.00 H new ATOM 0 HA LEU B1107 -2.921 12.000 4.902 1.00 0.00 H new ATOM 0 HB2 LEU B1107 -4.541 14.507 4.257 1.00 0.00 H new ATOM 0 HB3 LEU B1107 -5.218 13.122 5.091 1.00 0.00 H new ATOM 0 HG LEU B1107 -2.673 14.509 6.036 1.00 0.00 H new ATOM 0 HD11 LEU B1107 -4.101 15.664 7.701 1.00 0.00 H new ATOM 0 HD12 LEU B1107 -4.548 16.129 6.042 1.00 0.00 H new ATOM 0 HD13 LEU B1107 -5.551 14.966 6.941 1.00 0.00 H new ATOM 0 HD21 LEU B1107 -3.245 13.370 8.167 1.00 0.00 H new ATOM 0 HD22 LEU B1107 -4.691 12.670 7.403 1.00 0.00 H new ATOM 0 HD23 LEU B1107 -3.071 12.195 6.842 1.00 0.00 H new ATOM 925 N ALA B1108 -4.129 12.788 1.942 1.00 0.00 N ATOM 926 CA ALA B1108 -4.742 12.237 0.749 1.00 0.00 C ATOM 927 C ALA B1108 -3.836 11.181 0.126 1.00 0.00 C ATOM 928 O ALA B1108 -4.313 10.233 -0.493 1.00 0.00 O ATOM 929 CB ALA B1108 -5.018 13.352 -0.264 1.00 0.00 C ATOM 0 H ALA B1108 -3.849 13.766 1.863 1.00 0.00 H new ATOM 0 HA ALA B1108 -5.686 11.769 1.028 1.00 0.00 H new ATOM 0 HB1 ALA B1108 -5.478 12.927 -1.156 1.00 0.00 H new ATOM 0 HB2 ALA B1108 -5.692 14.086 0.178 1.00 0.00 H new ATOM 0 HB3 ALA B1108 -4.080 13.837 -0.535 1.00 0.00 H new ATOM 935 N ALA B1109 -2.527 11.362 0.279 1.00 0.00 N ATOM 936 CA ALA B1109 -1.572 10.421 -0.288 1.00 0.00 C ATOM 937 C ALA B1109 -1.721 9.046 0.345 1.00 0.00 C ATOM 938 O ALA B1109 -1.745 8.030 -0.347 1.00 0.00 O ATOM 939 CB ALA B1109 -0.150 10.940 -0.070 1.00 0.00 C ATOM 0 H ALA B1109 -2.109 12.143 0.785 1.00 0.00 H new ATOM 0 HA ALA B1109 -1.770 10.329 -1.356 1.00 0.00 H new ATOM 0 HB1 ALA B1109 0.564 10.234 -0.495 1.00 0.00 H new ATOM 0 HB2 ALA B1109 -0.037 11.908 -0.558 1.00 0.00 H new ATOM 0 HB3 ALA B1109 0.038 11.048 0.998 1.00 0.00 H new ATOM 945 N CYS B1110 -1.823 9.022 1.664 1.00 0.00 N ATOM 946 CA CYS B1110 -1.966 7.762 2.379 1.00 0.00 C ATOM 947 C CYS B1110 -3.327 7.149 2.110 1.00 0.00 C ATOM 948 O CYS B1110 -3.454 5.940 1.928 1.00 0.00 O ATOM 949 CB CYS B1110 -1.788 8.013 3.864 1.00 0.00 C ATOM 950 SG CYS B1110 -0.075 8.499 4.125 1.00 0.00 S ATOM 0 H CYS B1110 -1.810 9.851 2.258 1.00 0.00 H new ATOM 0 HA CYS B1110 -1.205 7.063 2.032 1.00 0.00 H new ATOM 0 HB2 CYS B1110 -2.465 8.796 4.205 1.00 0.00 H new ATOM 0 HB3 CYS B1110 -2.024 7.116 4.436 1.00 0.00 H new ATOM 0 HG CYS B1110 0.031 9.122 5.261 1.00 0.00 H new ATOM 956 N ARG B1111 -4.340 8.001 2.076 1.00 0.00 N ATOM 957 CA ARG B1111 -5.693 7.546 1.819 1.00 0.00 C ATOM 958 C ARG B1111 -5.779 6.929 0.431 1.00 0.00 C ATOM 959 O ARG B1111 -6.403 5.887 0.239 1.00 0.00 O ATOM 960 CB ARG B1111 -6.645 8.734 1.921 1.00 0.00 C ATOM 961 CG ARG B1111 -6.760 9.160 3.385 1.00 0.00 C ATOM 962 CD ARG B1111 -7.468 10.515 3.469 1.00 0.00 C ATOM 963 NE ARG B1111 -8.862 10.398 3.049 1.00 0.00 N ATOM 964 CZ ARG B1111 -9.667 11.460 2.977 1.00 0.00 C ATOM 965 NH1 ARG B1111 -9.229 12.654 3.283 1.00 0.00 N ATOM 966 NH2 ARG B1111 -10.907 11.310 2.598 1.00 0.00 N ATOM 0 H ARG B1111 -4.249 9.006 2.223 1.00 0.00 H new ATOM 0 HA ARG B1111 -5.971 6.791 2.554 1.00 0.00 H new ATOM 0 HB2 ARG B1111 -6.278 9.563 1.316 1.00 0.00 H new ATOM 0 HB3 ARG B1111 -7.626 8.464 1.530 1.00 0.00 H new ATOM 0 HG2 ARG B1111 -7.316 8.412 3.950 1.00 0.00 H new ATOM 0 HG3 ARG B1111 -5.769 9.227 3.834 1.00 0.00 H new ATOM 0 HD2 ARG B1111 -7.422 10.892 4.491 1.00 0.00 H new ATOM 0 HD3 ARG B1111 -6.953 11.239 2.838 1.00 0.00 H new ATOM 0 HE ARG B1111 -9.231 9.479 2.804 1.00 0.00 H new ATOM 0 HH11 ARG B1111 -8.262 12.782 3.581 1.00 0.00 H new ATOM 0 HH12 ARG B1111 -9.855 13.457 3.224 1.00 0.00 H new ATOM 0 HH21 ARG B1111 -11.258 10.383 2.358 1.00 0.00 H new ATOM 0 HH22 ARG B1111 -11.525 12.120 2.542 1.00 0.00 H new ATOM 980 N GLU B1112 -5.132 7.575 -0.531 1.00 0.00 N ATOM 981 CA GLU B1112 -5.128 7.075 -1.897 1.00 0.00 C ATOM 982 C GLU B1112 -4.416 5.730 -1.967 1.00 0.00 C ATOM 983 O GLU B1112 -4.883 4.803 -2.632 1.00 0.00 O ATOM 984 CB GLU B1112 -4.417 8.066 -2.816 1.00 0.00 C ATOM 985 CG GLU B1112 -4.482 7.561 -4.260 1.00 0.00 C ATOM 986 CD GLU B1112 -3.827 8.569 -5.199 1.00 0.00 C ATOM 987 OE1 GLU B1112 -3.371 9.591 -4.713 1.00 0.00 O ATOM 988 OE2 GLU B1112 -3.793 8.307 -6.389 1.00 0.00 O ATOM 0 H GLU B1112 -4.608 8.439 -0.391 1.00 0.00 H new ATOM 0 HA GLU B1112 -6.162 6.953 -2.221 1.00 0.00 H new ATOM 0 HB2 GLU B1112 -4.885 9.048 -2.741 1.00 0.00 H new ATOM 0 HB3 GLU B1112 -3.378 8.184 -2.507 1.00 0.00 H new ATOM 0 HG2 GLU B1112 -3.978 6.598 -4.339 1.00 0.00 H new ATOM 0 HG3 GLU B1112 -5.520 7.402 -4.551 1.00 0.00 H new ATOM 995 N GLU B1113 -3.281 5.626 -1.274 1.00 0.00 N ATOM 996 CA GLU B1113 -2.525 4.383 -1.275 1.00 0.00 C ATOM 997 C GLU B1113 -3.335 3.265 -0.634 1.00 0.00 C ATOM 998 O GLU B1113 -3.336 2.136 -1.112 1.00 0.00 O ATOM 999 CB GLU B1113 -1.207 4.564 -0.518 1.00 0.00 C ATOM 1000 CG GLU B1113 -0.443 3.236 -0.496 1.00 0.00 C ATOM 1001 CD GLU B1113 -0.157 2.773 -1.920 1.00 0.00 C ATOM 1002 OE1 GLU B1113 -0.097 3.617 -2.798 1.00 0.00 O ATOM 1003 OE2 GLU B1113 -0.015 1.576 -2.114 1.00 0.00 O ATOM 0 H GLU B1113 -2.874 6.376 -0.715 1.00 0.00 H new ATOM 0 HA GLU B1113 -2.310 4.114 -2.309 1.00 0.00 H new ATOM 0 HB2 GLU B1113 -0.603 5.335 -0.997 1.00 0.00 H new ATOM 0 HB3 GLU B1113 -1.403 4.900 0.500 1.00 0.00 H new ATOM 0 HG2 GLU B1113 0.492 3.355 0.051 1.00 0.00 H new ATOM 0 HG3 GLU B1113 -1.026 2.480 0.030 1.00 0.00 H new ATOM 1010 N PHE B1114 -4.017 3.589 0.454 1.00 0.00 N ATOM 1011 CA PHE B1114 -4.818 2.599 1.159 1.00 0.00 C ATOM 1012 C PHE B1114 -5.936 2.070 0.263 1.00 0.00 C ATOM 1013 O PHE B1114 -6.190 0.868 0.222 1.00 0.00 O ATOM 1014 CB PHE B1114 -5.428 3.224 2.417 1.00 0.00 C ATOM 1015 CG PHE B1114 -4.424 3.209 3.556 1.00 0.00 C ATOM 1016 CD1 PHE B1114 -3.045 3.201 3.295 1.00 0.00 C ATOM 1017 CD2 PHE B1114 -4.880 3.197 4.880 1.00 0.00 C ATOM 1018 CE1 PHE B1114 -2.129 3.180 4.359 1.00 0.00 C ATOM 1019 CE2 PHE B1114 -3.965 3.176 5.940 1.00 0.00 C ATOM 1020 CZ PHE B1114 -2.591 3.167 5.681 1.00 0.00 C ATOM 0 H PHE B1114 -4.033 4.522 0.866 1.00 0.00 H new ATOM 0 HA PHE B1114 -4.169 1.769 1.438 1.00 0.00 H new ATOM 0 HB2 PHE B1114 -5.736 4.249 2.209 1.00 0.00 H new ATOM 0 HB3 PHE B1114 -6.324 2.674 2.706 1.00 0.00 H new ATOM 0 HD1 PHE B1114 -2.688 3.211 2.276 1.00 0.00 H new ATOM 0 HD2 PHE B1114 -5.940 3.204 5.084 1.00 0.00 H new ATOM 0 HE1 PHE B1114 -1.068 3.174 4.158 1.00 0.00 H new ATOM 0 HE2 PHE B1114 -4.321 3.167 6.959 1.00 0.00 H new ATOM 0 HZ PHE B1114 -1.887 3.150 6.500 1.00 0.00 H new ATOM 1030 N HIS B1115 -6.598 2.967 -0.455 1.00 0.00 N ATOM 1031 CA HIS B1115 -7.676 2.572 -1.343 1.00 0.00 C ATOM 1032 C HIS B1115 -7.160 1.626 -2.423 1.00 0.00 C ATOM 1033 O HIS B1115 -7.760 0.581 -2.687 1.00 0.00 O ATOM 1034 CB HIS B1115 -8.278 3.818 -1.992 1.00 0.00 C ATOM 1035 CG HIS B1115 -9.467 3.411 -2.805 1.00 0.00 C ATOM 1036 ND1 HIS B1115 -10.190 2.255 -2.821 1.00 0.00 N flip ATOM 1037 CD2 HIS B1115 -10.052 4.245 -3.743 1.00 0.00 C flip ATOM 1038 CE1 HIS B1115 -11.217 2.356 -3.755 1.00 0.00 C flip ATOM 1039 NE2 HIS B1115 -11.087 3.578 -4.283 1.00 0.00 N flip ATOM 0 H HIS B1115 -6.406 3.969 -0.438 1.00 0.00 H new ATOM 0 HA HIS B1115 -8.440 2.053 -0.764 1.00 0.00 H new ATOM 0 HB2 HIS B1115 -8.572 4.537 -1.228 1.00 0.00 H new ATOM 0 HB3 HIS B1115 -7.538 4.309 -2.624 1.00 0.00 H new ATOM 0 HD2 HIS B1115 -9.735 5.246 -3.994 1.00 0.00 H new ATOM 0 HE1 HIS B1115 -11.958 1.610 -4.000 1.00 0.00 H new ATOM 0 HE2 HIS B1115 -11.698 3.957 -5.006 1.00 0.00 H new ATOM 1047 N ARG B1116 -6.047 1.999 -3.044 1.00 0.00 N ATOM 1048 CA ARG B1116 -5.460 1.177 -4.095 1.00 0.00 C ATOM 1049 C ARG B1116 -5.011 -0.168 -3.534 1.00 0.00 C ATOM 1050 O ARG B1116 -5.218 -1.215 -4.153 1.00 0.00 O ATOM 1051 CB ARG B1116 -4.258 1.901 -4.706 1.00 0.00 C ATOM 1052 CG ARG B1116 -4.718 3.190 -5.397 1.00 0.00 C ATOM 1053 CD ARG B1116 -5.538 2.846 -6.645 1.00 0.00 C ATOM 1054 NE ARG B1116 -5.809 4.051 -7.424 1.00 0.00 N ATOM 1055 CZ ARG B1116 -6.539 4.015 -8.539 1.00 0.00 C ATOM 1056 NH1 ARG B1116 -7.043 2.888 -8.972 1.00 0.00 N ATOM 1057 NH2 ARG B1116 -6.748 5.114 -9.209 1.00 0.00 N ATOM 0 H ARG B1116 -5.536 2.858 -2.840 1.00 0.00 H new ATOM 0 HA ARG B1116 -6.214 1.004 -4.863 1.00 0.00 H new ATOM 0 HB2 ARG B1116 -3.530 2.135 -3.929 1.00 0.00 H new ATOM 0 HB3 ARG B1116 -3.759 1.251 -5.425 1.00 0.00 H new ATOM 0 HG2 ARG B1116 -5.317 3.788 -4.710 1.00 0.00 H new ATOM 0 HG3 ARG B1116 -3.854 3.794 -5.674 1.00 0.00 H new ATOM 0 HD2 ARG B1116 -4.996 2.124 -7.256 1.00 0.00 H new ATOM 0 HD3 ARG B1116 -6.477 2.375 -6.353 1.00 0.00 H new ATOM 0 HE ARG B1116 -5.430 4.943 -7.107 1.00 0.00 H new ATOM 0 HH11 ARG B1116 -6.879 2.024 -8.455 1.00 0.00 H new ATOM 0 HH12 ARG B1116 -7.600 2.873 -9.826 1.00 0.00 H new ATOM 0 HH21 ARG B1116 -6.354 5.995 -8.879 1.00 0.00 H new ATOM 0 HH22 ARG B1116 -7.306 5.093 -10.063 1.00 0.00 H new ATOM 1071 N ARG B1117 -4.409 -0.135 -2.350 1.00 0.00 N ATOM 1072 CA ARG B1117 -3.950 -1.360 -1.712 1.00 0.00 C ATOM 1073 C ARG B1117 -5.123 -2.278 -1.400 1.00 0.00 C ATOM 1074 O ARG B1117 -5.048 -3.489 -1.606 1.00 0.00 O ATOM 1075 CB ARG B1117 -3.187 -1.032 -0.430 1.00 0.00 C ATOM 1076 CG ARG B1117 -1.782 -0.542 -0.775 1.00 0.00 C ATOM 1077 CD ARG B1117 -0.976 -0.408 0.516 1.00 0.00 C ATOM 1078 NE ARG B1117 0.428 -0.150 0.219 1.00 0.00 N ATOM 1079 CZ ARG B1117 1.380 -0.345 1.131 1.00 0.00 C ATOM 1080 NH1 ARG B1117 1.081 -0.762 2.337 1.00 0.00 N ATOM 1081 NH2 ARG B1117 2.621 -0.131 0.814 1.00 0.00 N ATOM 0 H ARG B1117 -4.230 0.717 -1.819 1.00 0.00 H new ATOM 0 HA ARG B1117 -3.282 -1.876 -2.402 1.00 0.00 H new ATOM 0 HB2 ARG B1117 -3.720 -0.268 0.136 1.00 0.00 H new ATOM 0 HB3 ARG B1117 -3.128 -1.916 0.205 1.00 0.00 H new ATOM 0 HG2 ARG B1117 -1.294 -1.242 -1.453 1.00 0.00 H new ATOM 0 HG3 ARG B1117 -1.833 0.418 -1.289 1.00 0.00 H new ATOM 0 HD2 ARG B1117 -1.380 0.403 1.121 1.00 0.00 H new ATOM 0 HD3 ARG B1117 -1.067 -1.321 1.105 1.00 0.00 H new ATOM 0 HE ARG B1117 0.687 0.187 -0.708 1.00 0.00 H new ATOM 0 HH11 ARG B1117 0.109 -0.942 2.588 1.00 0.00 H new ATOM 0 HH12 ARG B1117 1.820 -0.907 3.024 1.00 0.00 H new ATOM 0 HH21 ARG B1117 2.860 0.184 -0.126 1.00 0.00 H new ATOM 0 HH22 ARG B1117 3.357 -0.278 1.505 1.00 0.00 H new ATOM 1095 N LEU B1118 -6.213 -1.695 -0.920 1.00 0.00 N ATOM 1096 CA LEU B1118 -7.399 -2.479 -0.602 1.00 0.00 C ATOM 1097 C LEU B1118 -7.944 -3.146 -1.860 1.00 0.00 C ATOM 1098 O LEU B1118 -8.379 -4.298 -1.823 1.00 0.00 O ATOM 1099 CB LEU B1118 -8.469 -1.580 0.019 1.00 0.00 C ATOM 1100 CG LEU B1118 -8.051 -1.195 1.438 1.00 0.00 C ATOM 1101 CD1 LEU B1118 -8.942 -0.061 1.944 1.00 0.00 C ATOM 1102 CD2 LEU B1118 -8.218 -2.410 2.355 1.00 0.00 C ATOM 0 H LEU B1118 -6.301 -0.694 -0.744 1.00 0.00 H new ATOM 0 HA LEU B1118 -7.126 -3.253 0.115 1.00 0.00 H new ATOM 0 HB2 LEU B1118 -8.603 -0.684 -0.588 1.00 0.00 H new ATOM 0 HB3 LEU B1118 -9.428 -2.098 0.039 1.00 0.00 H new ATOM 0 HG LEU B1118 -7.011 -0.868 1.436 1.00 0.00 H new ATOM 0 HD11 LEU B1118 -8.643 0.213 2.956 1.00 0.00 H new ATOM 0 HD12 LEU B1118 -8.838 0.804 1.288 1.00 0.00 H new ATOM 0 HD13 LEU B1118 -9.981 -0.389 1.949 1.00 0.00 H new ATOM 0 HD21 LEU B1118 -7.922 -2.144 3.370 1.00 0.00 H new ATOM 0 HD22 LEU B1118 -9.261 -2.727 2.353 1.00 0.00 H new ATOM 0 HD23 LEU B1118 -7.590 -3.226 1.996 1.00 0.00 H new ATOM 1114 N LYS B1119 -7.920 -2.418 -2.970 1.00 0.00 N ATOM 1115 CA LYS B1119 -8.416 -2.953 -4.230 1.00 0.00 C ATOM 1116 C LYS B1119 -7.609 -4.180 -4.644 1.00 0.00 C ATOM 1117 O LYS B1119 -8.170 -5.190 -5.069 1.00 0.00 O ATOM 1118 CB LYS B1119 -8.299 -1.887 -5.320 1.00 0.00 C ATOM 1119 CG LYS B1119 -8.990 -2.378 -6.593 1.00 0.00 C ATOM 1120 CD LYS B1119 -10.500 -2.173 -6.461 1.00 0.00 C ATOM 1121 CE LYS B1119 -11.224 -3.053 -7.478 1.00 0.00 C ATOM 1122 NZ LYS B1119 -10.886 -2.607 -8.859 1.00 0.00 N ATOM 0 H LYS B1119 -7.565 -1.463 -3.023 1.00 0.00 H new ATOM 0 HA LYS B1119 -9.459 -3.240 -4.099 1.00 0.00 H new ATOM 0 HB2 LYS B1119 -8.754 -0.956 -4.983 1.00 0.00 H new ATOM 0 HB3 LYS B1119 -7.250 -1.673 -5.523 1.00 0.00 H new ATOM 0 HG2 LYS B1119 -8.612 -1.834 -7.458 1.00 0.00 H new ATOM 0 HG3 LYS B1119 -8.768 -3.432 -6.757 1.00 0.00 H new ATOM 0 HD2 LYS B1119 -10.825 -2.423 -5.451 1.00 0.00 H new ATOM 0 HD3 LYS B1119 -10.751 -1.125 -6.626 1.00 0.00 H new ATOM 0 HE2 LYS B1119 -10.936 -4.095 -7.341 1.00 0.00 H new ATOM 0 HE3 LYS B1119 -12.301 -2.997 -7.321 1.00 0.00 H new ATOM 0 HZ1 LYS B1119 -11.527 -3.065 -9.538 1.00 0.00 H new ATOM 0 HZ2 LYS B1119 -10.991 -1.574 -8.926 1.00 0.00 H new ATOM 0 HZ3 LYS B1119 -9.904 -2.870 -9.078 1.00 0.00 H new ATOM 1136 N VAL B1120 -6.289 -4.085 -4.517 1.00 0.00 N ATOM 1137 CA VAL B1120 -5.414 -5.190 -4.882 1.00 0.00 C ATOM 1138 C VAL B1120 -5.679 -6.387 -3.979 1.00 0.00 C ATOM 1139 O VAL B1120 -5.691 -7.532 -4.430 1.00 0.00 O ATOM 1140 CB VAL B1120 -3.948 -4.768 -4.762 1.00 0.00 C ATOM 1141 CG1 VAL B1120 -3.040 -5.982 -4.979 1.00 0.00 C ATOM 1142 CG2 VAL B1120 -3.642 -3.705 -5.820 1.00 0.00 C ATOM 0 H VAL B1120 -5.805 -3.258 -4.166 1.00 0.00 H new ATOM 0 HA VAL B1120 -5.619 -5.469 -5.916 1.00 0.00 H new ATOM 0 HB VAL B1120 -3.768 -4.360 -3.768 1.00 0.00 H new ATOM 0 HG11 VAL B1120 -1.997 -5.677 -4.893 1.00 0.00 H new ATOM 0 HG12 VAL B1120 -3.260 -6.740 -4.227 1.00 0.00 H new ATOM 0 HG13 VAL B1120 -3.216 -6.395 -5.972 1.00 0.00 H new ATOM 0 HG21 VAL B1120 -2.598 -3.401 -5.739 1.00 0.00 H new ATOM 0 HG22 VAL B1120 -3.824 -4.117 -6.813 1.00 0.00 H new ATOM 0 HG23 VAL B1120 -4.286 -2.839 -5.663 1.00 0.00 H new ATOM 1152 N TYR B1121 -5.884 -6.112 -2.698 1.00 0.00 N ATOM 1153 CA TYR B1121 -6.142 -7.171 -1.730 1.00 0.00 C ATOM 1154 C TYR B1121 -7.371 -7.970 -2.135 1.00 0.00 C ATOM 1155 O TYR B1121 -7.345 -9.202 -2.159 1.00 0.00 O ATOM 1156 CB TYR B1121 -6.352 -6.568 -0.340 1.00 0.00 C ATOM 1157 CG TYR B1121 -6.753 -7.655 0.629 1.00 0.00 C ATOM 1158 CD1 TYR B1121 -5.815 -8.608 1.039 1.00 0.00 C ATOM 1159 CD2 TYR B1121 -8.063 -7.704 1.123 1.00 0.00 C ATOM 1160 CE1 TYR B1121 -6.184 -9.610 1.944 1.00 0.00 C ATOM 1161 CE2 TYR B1121 -8.433 -8.708 2.027 1.00 0.00 C ATOM 1162 CZ TYR B1121 -7.494 -9.661 2.438 1.00 0.00 C ATOM 1163 OH TYR B1121 -7.857 -10.647 3.331 1.00 0.00 O ATOM 0 H TYR B1121 -5.877 -5.170 -2.306 1.00 0.00 H new ATOM 0 HA TYR B1121 -5.281 -7.838 -1.706 1.00 0.00 H new ATOM 0 HB2 TYR B1121 -5.436 -6.084 -0.000 1.00 0.00 H new ATOM 0 HB3 TYR B1121 -7.123 -5.799 -0.379 1.00 0.00 H new ATOM 0 HD1 TYR B1121 -4.805 -8.571 0.657 1.00 0.00 H new ATOM 0 HD2 TYR B1121 -8.787 -6.968 0.807 1.00 0.00 H new ATOM 0 HE1 TYR B1121 -5.458 -10.344 2.262 1.00 0.00 H new ATOM 0 HE2 TYR B1121 -9.443 -8.747 2.407 1.00 0.00 H new ATOM 0 HH TYR B1121 -8.815 -10.834 3.240 1.00 0.00 H new ATOM 1173 N HIS B1122 -8.444 -7.264 -2.461 1.00 0.00 N ATOM 1174 CA HIS B1122 -9.677 -7.919 -2.876 1.00 0.00 C ATOM 1175 C HIS B1122 -9.436 -8.746 -4.133 1.00 0.00 C ATOM 1176 O HIS B1122 -9.881 -9.889 -4.235 1.00 0.00 O ATOM 1177 CB HIS B1122 -10.764 -6.876 -3.139 1.00 0.00 C ATOM 1178 CG HIS B1122 -12.024 -7.565 -3.585 1.00 0.00 C ATOM 1179 ND1 HIS B1122 -12.831 -8.274 -2.709 1.00 0.00 N ATOM 1180 CD2 HIS B1122 -12.628 -7.666 -4.815 1.00 0.00 C ATOM 1181 CE1 HIS B1122 -13.865 -8.765 -3.416 1.00 0.00 C ATOM 1182 NE2 HIS B1122 -13.789 -8.424 -4.705 1.00 0.00 N ATOM 0 H HIS B1122 -8.487 -6.245 -2.447 1.00 0.00 H new ATOM 0 HA HIS B1122 -10.007 -8.581 -2.076 1.00 0.00 H new ATOM 0 HB2 HIS B1122 -10.954 -6.297 -2.235 1.00 0.00 H new ATOM 0 HB3 HIS B1122 -10.431 -6.173 -3.903 1.00 0.00 H new ATOM 0 HD2 HIS B1122 -12.258 -7.224 -5.728 1.00 0.00 H new ATOM 0 HE1 HIS B1122 -14.659 -9.362 -2.993 1.00 0.00 H new ATOM 0 HE2 HIS B1122 -14.442 -8.667 -5.449 1.00 0.00 H new ATOM 1190 N ALA B1123 -8.731 -8.160 -5.094 1.00 0.00 N ATOM 1191 CA ALA B1123 -8.444 -8.851 -6.345 1.00 0.00 C ATOM 1192 C ALA B1123 -7.641 -10.125 -6.091 1.00 0.00 C ATOM 1193 O ALA B1123 -7.891 -11.157 -6.711 1.00 0.00 O ATOM 1194 CB ALA B1123 -7.664 -7.927 -7.284 1.00 0.00 C ATOM 0 H ALA B1123 -8.350 -7.216 -5.032 1.00 0.00 H new ATOM 0 HA ALA B1123 -9.391 -9.126 -6.809 1.00 0.00 H new ATOM 0 HB1 ALA B1123 -7.453 -8.450 -8.217 1.00 0.00 H new ATOM 0 HB2 ALA B1123 -8.257 -7.037 -7.493 1.00 0.00 H new ATOM 0 HB3 ALA B1123 -6.726 -7.636 -6.811 1.00 0.00 H new ATOM 1200 N TRP B1124 -6.680 -10.051 -5.179 1.00 0.00 N ATOM 1201 CA TRP B1124 -5.862 -11.203 -4.856 1.00 0.00 C ATOM 1202 C TRP B1124 -6.726 -12.331 -4.307 1.00 0.00 C ATOM 1203 O TRP B1124 -6.608 -13.482 -4.717 1.00 0.00 O ATOM 1204 CB TRP B1124 -4.807 -10.794 -3.838 1.00 0.00 C ATOM 1205 CG TRP B1124 -4.018 -11.986 -3.466 1.00 0.00 C ATOM 1206 CD1 TRP B1124 -3.109 -12.573 -4.259 1.00 0.00 C ATOM 1207 CD2 TRP B1124 -4.033 -12.730 -2.223 1.00 0.00 C ATOM 1208 NE1 TRP B1124 -2.570 -13.657 -3.595 1.00 0.00 N ATOM 1209 CE2 TRP B1124 -3.109 -13.792 -2.325 1.00 0.00 C ATOM 1210 CE3 TRP B1124 -4.759 -12.586 -1.031 1.00 0.00 C ATOM 1211 CZ2 TRP B1124 -2.911 -14.687 -1.274 1.00 0.00 C ATOM 1212 CZ3 TRP B1124 -4.561 -13.482 0.030 1.00 0.00 C ATOM 1213 CH2 TRP B1124 -3.639 -14.531 -0.090 1.00 0.00 C ATOM 0 H TRP B1124 -6.452 -9.207 -4.654 1.00 0.00 H new ATOM 0 HA TRP B1124 -5.371 -11.565 -5.759 1.00 0.00 H new ATOM 0 HB2 TRP B1124 -4.156 -10.026 -4.256 1.00 0.00 H new ATOM 0 HB3 TRP B1124 -5.281 -10.364 -2.955 1.00 0.00 H new ATOM 0 HD1 TRP B1124 -2.842 -12.250 -5.255 1.00 0.00 H new ATOM 0 HE1 TRP B1124 -1.865 -14.280 -3.989 1.00 0.00 H new ATOM 0 HE3 TRP B1124 -5.473 -11.782 -0.930 1.00 0.00 H new ATOM 0 HZ2 TRP B1124 -2.201 -15.495 -1.374 1.00 0.00 H new ATOM 0 HZ3 TRP B1124 -5.122 -13.363 0.945 1.00 0.00 H new ATOM 0 HH2 TRP B1124 -3.491 -15.218 0.730 1.00 0.00 H new ATOM 1224 N LYS B1125 -7.614 -11.997 -3.392 1.00 0.00 N ATOM 1225 CA LYS B1125 -8.503 -12.998 -2.822 1.00 0.00 C ATOM 1226 C LYS B1125 -9.360 -13.610 -3.910 1.00 0.00 C ATOM 1227 O LYS B1125 -9.661 -14.789 -3.873 1.00 0.00 O ATOM 1228 CB LYS B1125 -9.385 -12.369 -1.741 1.00 0.00 C ATOM 1229 CG LYS B1125 -8.540 -12.032 -0.507 1.00 0.00 C ATOM 1230 CD LYS B1125 -8.090 -13.332 0.162 1.00 0.00 C ATOM 1231 CE LYS B1125 -7.493 -13.027 1.536 1.00 0.00 C ATOM 1232 NZ LYS B1125 -7.006 -14.292 2.158 1.00 0.00 N ATOM 0 H LYS B1125 -7.741 -11.053 -3.028 1.00 0.00 H new ATOM 0 HA LYS B1125 -7.902 -13.784 -2.365 1.00 0.00 H new ATOM 0 HB2 LYS B1125 -9.858 -11.466 -2.126 1.00 0.00 H new ATOM 0 HB3 LYS B1125 -10.186 -13.056 -1.467 1.00 0.00 H new ATOM 0 HG2 LYS B1125 -7.673 -11.438 -0.796 1.00 0.00 H new ATOM 0 HG3 LYS B1125 -9.120 -11.430 0.193 1.00 0.00 H new ATOM 0 HD2 LYS B1125 -8.937 -14.011 0.266 1.00 0.00 H new ATOM 0 HD3 LYS B1125 -7.352 -13.836 -0.462 1.00 0.00 H new ATOM 0 HE2 LYS B1125 -6.671 -12.317 1.438 1.00 0.00 H new ATOM 0 HE3 LYS B1125 -8.243 -12.560 2.175 1.00 0.00 H new ATOM 0 HZ1 LYS B1125 -6.569 -14.081 3.078 1.00 0.00 H new ATOM 0 HZ2 LYS B1125 -7.806 -14.942 2.296 1.00 0.00 H new ATOM 0 HZ3 LYS B1125 -6.302 -14.737 1.535 1.00 0.00 H new ATOM 1246 N SER B1126 -9.755 -12.799 -4.868 1.00 0.00 N ATOM 1247 CA SER B1126 -10.576 -13.281 -5.971 1.00 0.00 C ATOM 1248 C SER B1126 -9.793 -14.260 -6.845 1.00 0.00 C ATOM 1249 O SER B1126 -10.331 -15.269 -7.296 1.00 0.00 O ATOM 1250 CB SER B1126 -11.063 -12.108 -6.823 1.00 0.00 C ATOM 1251 OG SER B1126 -11.875 -12.612 -7.875 1.00 0.00 O ATOM 0 H SER B1126 -9.525 -11.806 -4.911 1.00 0.00 H new ATOM 0 HA SER B1126 -11.436 -13.800 -5.549 1.00 0.00 H new ATOM 0 HB2 SER B1126 -11.631 -11.407 -6.211 1.00 0.00 H new ATOM 0 HB3 SER B1126 -10.214 -11.560 -7.231 1.00 0.00 H new ATOM 0 HG SER B1126 -12.194 -11.868 -8.427 1.00 0.00 H new ATOM 1382 N GLU A 47 0.783 -17.981 0.181 1.00 0.00 N ATOM 1383 CA GLU A 47 -0.355 -17.134 -0.152 1.00 0.00 C ATOM 1384 C GLU A 47 -0.534 -16.048 0.900 1.00 0.00 C ATOM 1385 O GLU A 47 -0.811 -14.892 0.578 1.00 0.00 O ATOM 1386 CB GLU A 47 -1.624 -17.979 -0.228 1.00 0.00 C ATOM 1387 CG GLU A 47 -1.568 -18.882 -1.462 1.00 0.00 C ATOM 1388 CD GLU A 47 -2.762 -19.832 -1.473 1.00 0.00 C ATOM 1389 OE1 GLU A 47 -3.434 -19.921 -0.460 1.00 0.00 O ATOM 1390 OE2 GLU A 47 -2.987 -20.456 -2.497 1.00 0.00 O ATOM 0 HA GLU A 47 -0.168 -16.666 -1.118 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.724 -18.584 0.673 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.500 -17.333 -0.277 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.569 -18.274 -2.367 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.639 -19.453 -1.462 1.00 0.00 H new ATOM 1397 N ASN A 48 -0.362 -16.423 2.160 1.00 0.00 N ATOM 1398 CA ASN A 48 -0.507 -15.467 3.247 1.00 0.00 C ATOM 1399 C ASN A 48 0.514 -14.349 3.100 1.00 0.00 C ATOM 1400 O ASN A 48 0.213 -13.181 3.346 1.00 0.00 O ATOM 1401 CB ASN A 48 -0.307 -16.168 4.591 1.00 0.00 C ATOM 1402 CG ASN A 48 -1.484 -17.095 4.872 1.00 0.00 C ATOM 1403 OD1 ASN A 48 -1.291 -18.272 5.175 1.00 0.00 O ATOM 1404 ND2 ASN A 48 -2.702 -16.634 4.777 1.00 0.00 N ATOM 0 H ASN A 48 -0.125 -17.371 2.452 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.511 -15.043 3.208 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.622 -16.738 4.579 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.217 -15.429 5.387 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.496 -17.250 4.954 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.860 -15.658 4.526 1.00 0.00 H new ATOM 1411 N ASP A 49 1.723 -14.713 2.695 1.00 0.00 N ATOM 1412 CA ASP A 49 2.784 -13.727 2.521 1.00 0.00 C ATOM 1413 C ASP A 49 2.411 -12.738 1.424 1.00 0.00 C ATOM 1414 O ASP A 49 2.656 -11.536 1.550 1.00 0.00 O ATOM 1415 CB ASP A 49 4.098 -14.426 2.164 1.00 0.00 C ATOM 1416 CG ASP A 49 5.248 -13.423 2.191 1.00 0.00 C ATOM 1417 OD1 ASP A 49 4.974 -12.239 2.295 1.00 0.00 O ATOM 1418 OD2 ASP A 49 6.386 -13.855 2.108 1.00 0.00 O ATOM 0 H ASP A 49 1.993 -15.673 2.482 1.00 0.00 H new ATOM 0 HA ASP A 49 2.912 -13.184 3.458 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.293 -15.234 2.869 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.022 -14.878 1.175 1.00 0.00 H new ATOM 1423 N GLU A 50 1.823 -13.247 0.346 1.00 0.00 N ATOM 1424 CA GLU A 50 1.428 -12.392 -0.767 1.00 0.00 C ATOM 1425 C GLU A 50 0.399 -11.360 -0.316 1.00 0.00 C ATOM 1426 O GLU A 50 0.479 -10.184 -0.679 1.00 0.00 O ATOM 1427 CB GLU A 50 0.825 -13.244 -1.884 1.00 0.00 C ATOM 1428 CG GLU A 50 1.916 -14.096 -2.529 1.00 0.00 C ATOM 1429 CD GLU A 50 1.298 -15.020 -3.573 1.00 0.00 C ATOM 1430 OE1 GLU A 50 0.079 -15.092 -3.622 1.00 0.00 O ATOM 1431 OE2 GLU A 50 2.050 -15.640 -4.308 1.00 0.00 O ATOM 0 H GLU A 50 1.611 -14.237 0.220 1.00 0.00 H new ATOM 0 HA GLU A 50 2.314 -11.873 -1.132 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.040 -13.885 -1.482 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.361 -12.603 -2.633 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.664 -13.454 -2.995 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.429 -14.684 -1.768 1.00 0.00 H new ATOM 1438 N ALA A 51 -0.566 -11.805 0.484 1.00 0.00 N ATOM 1439 CA ALA A 51 -1.597 -10.901 0.979 1.00 0.00 C ATOM 1440 C ALA A 51 -0.979 -9.826 1.862 1.00 0.00 C ATOM 1441 O ALA A 51 -1.364 -8.658 1.796 1.00 0.00 O ATOM 1442 CB ALA A 51 -2.651 -11.680 1.765 1.00 0.00 C ATOM 0 H ALA A 51 -0.655 -12.771 0.799 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.076 -10.422 0.125 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.415 -10.993 2.129 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.112 -12.425 1.116 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.179 -12.179 2.611 1.00 0.00 H new ATOM 1448 N PHE A 52 -0.011 -10.221 2.684 1.00 0.00 N ATOM 1449 CA PHE A 52 0.650 -9.267 3.565 1.00 0.00 C ATOM 1450 C PHE A 52 1.350 -8.182 2.757 1.00 0.00 C ATOM 1451 O PHE A 52 1.247 -7.004 3.077 1.00 0.00 O ATOM 1452 CB PHE A 52 1.676 -9.980 4.447 1.00 0.00 C ATOM 1453 CG PHE A 52 1.056 -10.312 5.783 1.00 0.00 C ATOM 1454 CD1 PHE A 52 0.584 -11.603 6.038 1.00 0.00 C ATOM 1455 CD2 PHE A 52 0.964 -9.323 6.771 1.00 0.00 C ATOM 1456 CE1 PHE A 52 0.020 -11.908 7.282 1.00 0.00 C ATOM 1457 CE2 PHE A 52 0.400 -9.627 8.012 1.00 0.00 C ATOM 1458 CZ PHE A 52 -0.071 -10.919 8.271 1.00 0.00 C ATOM 0 H PHE A 52 0.328 -11.180 2.758 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.112 -8.807 4.194 1.00 0.00 H new ATOM 0 HB2 PHE A 52 2.019 -10.892 3.958 1.00 0.00 H new ATOM 0 HB3 PHE A 52 2.551 -9.346 4.589 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.655 -12.365 5.275 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.329 -8.326 6.573 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.345 -12.905 7.480 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.327 -8.864 8.773 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.504 -11.154 9.232 1.00 0.00 H new ATOM 1468 N ALA A 53 2.054 -8.583 1.708 1.00 0.00 N ATOM 1469 CA ALA A 53 2.760 -7.621 0.871 1.00 0.00 C ATOM 1470 C ALA A 53 1.775 -6.638 0.248 1.00 0.00 C ATOM 1471 O ALA A 53 2.043 -5.441 0.166 1.00 0.00 O ATOM 1472 CB ALA A 53 3.527 -8.350 -0.228 1.00 0.00 C ATOM 0 H ALA A 53 2.152 -9.556 1.418 1.00 0.00 H new ATOM 0 HA ALA A 53 3.464 -7.068 1.493 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.052 -7.624 -0.849 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.249 -9.031 0.223 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.829 -8.917 -0.844 1.00 0.00 H new ATOM 1478 N ILE A 54 0.631 -7.146 -0.186 1.00 0.00 N ATOM 1479 CA ILE A 54 -0.378 -6.299 -0.792 1.00 0.00 C ATOM 1480 C ILE A 54 -0.839 -5.227 0.189 1.00 0.00 C ATOM 1481 O ILE A 54 -1.048 -4.074 -0.186 1.00 0.00 O ATOM 1482 CB ILE A 54 -1.572 -7.149 -1.233 1.00 0.00 C ATOM 1483 CG1 ILE A 54 -1.155 -8.037 -2.407 1.00 0.00 C ATOM 1484 CG2 ILE A 54 -2.717 -6.239 -1.667 1.00 0.00 C ATOM 1485 CD1 ILE A 54 -2.258 -9.056 -2.684 1.00 0.00 C ATOM 0 H ILE A 54 0.382 -8.133 -0.129 1.00 0.00 H new ATOM 0 HA ILE A 54 0.057 -5.808 -1.662 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.901 -7.772 -0.401 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.976 -7.428 -3.293 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.220 -8.549 -2.177 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.566 -6.847 -1.981 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.014 -5.604 -0.832 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.391 -5.615 -2.499 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.965 -9.691 -3.520 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.415 -9.672 -1.798 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.182 -8.534 -2.932 1.00 0.00 H new ATOM 1497 N LEU A 55 -1.014 -5.620 1.442 1.00 0.00 N ATOM 1498 CA LEU A 55 -1.472 -4.693 2.467 1.00 0.00 C ATOM 1499 C LEU A 55 -0.319 -4.210 3.346 1.00 0.00 C ATOM 1500 O LEU A 55 -0.530 -3.836 4.501 1.00 0.00 O ATOM 1501 CB LEU A 55 -2.534 -5.379 3.328 1.00 0.00 C ATOM 1502 CG LEU A 55 -3.709 -5.811 2.442 1.00 0.00 C ATOM 1503 CD1 LEU A 55 -4.725 -6.587 3.280 1.00 0.00 C ATOM 1504 CD2 LEU A 55 -4.392 -4.575 1.845 1.00 0.00 C ATOM 0 H LEU A 55 -0.847 -6.570 1.773 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.898 -3.819 1.974 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.106 -6.246 3.831 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.882 -4.699 4.106 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.334 -6.444 1.638 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.559 -6.893 2.649 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.248 -7.470 3.704 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.094 -5.952 4.085 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.226 -4.888 1.217 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.762 -3.940 2.650 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.674 -4.017 1.244 1.00 0.00 H new ATOM 1516 N ASP A 56 0.897 -4.216 2.804 1.00 0.00 N ATOM 1517 CA ASP A 56 2.057 -3.764 3.571 1.00 0.00 C ATOM 1518 C ASP A 56 3.109 -3.175 2.642 1.00 0.00 C ATOM 1519 O ASP A 56 3.443 -1.993 2.730 1.00 0.00 O ATOM 1520 CB ASP A 56 2.654 -4.943 4.343 1.00 0.00 C ATOM 1521 CG ASP A 56 3.763 -4.464 5.274 1.00 0.00 C ATOM 1522 OD1 ASP A 56 4.131 -3.306 5.181 1.00 0.00 O ATOM 1523 OD2 ASP A 56 4.230 -5.269 6.065 1.00 0.00 O ATOM 0 H ASP A 56 1.104 -4.523 1.854 1.00 0.00 H new ATOM 0 HA ASP A 56 1.737 -2.994 4.272 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.874 -5.439 4.921 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.050 -5.680 3.644 1.00 0.00 H new ATOM 1528 N GLY A 57 3.618 -4.007 1.747 1.00 0.00 N ATOM 1529 CA GLY A 57 4.628 -3.560 0.796 1.00 0.00 C ATOM 1530 C GLY A 57 3.985 -2.920 -0.435 1.00 0.00 C ATOM 1531 O GLY A 57 4.684 -2.414 -1.310 1.00 0.00 O ATOM 0 H GLY A 57 3.352 -4.988 1.658 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.292 -2.842 1.277 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.243 -4.407 0.490 1.00 0.00 H new ATOM 1535 N GLY A 58 2.653 -2.949 -0.504 1.00 0.00 N ATOM 1536 CA GLY A 58 1.946 -2.369 -1.640 1.00 0.00 C ATOM 1537 C GLY A 58 2.164 -3.208 -2.896 1.00 0.00 C ATOM 1538 O GLY A 58 2.012 -2.719 -4.016 1.00 0.00 O ATOM 0 H GLY A 58 2.050 -3.364 0.207 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.881 -2.307 -1.418 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.296 -1.351 -1.811 1.00 0.00 H new ATOM 1542 N ALA A 59 2.531 -4.472 -2.705 1.00 0.00 N ATOM 1543 CA ALA A 59 2.778 -5.364 -3.832 1.00 0.00 C ATOM 1544 C ALA A 59 1.470 -5.792 -4.487 1.00 0.00 C ATOM 1545 O ALA A 59 0.408 -5.723 -3.874 1.00 0.00 O ATOM 1546 CB ALA A 59 3.535 -6.603 -3.364 1.00 0.00 C ATOM 0 H ALA A 59 2.663 -4.899 -1.788 1.00 0.00 H new ATOM 0 HA ALA A 59 3.377 -4.822 -4.564 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.714 -7.262 -4.213 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.489 -6.304 -2.929 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.944 -7.129 -2.615 1.00 0.00 H new ATOM 1552 N PRO A 60 1.523 -6.233 -5.715 1.00 0.00 N ATOM 1553 CA PRO A 60 0.312 -6.686 -6.454 1.00 0.00 C ATOM 1554 C PRO A 60 -0.202 -8.033 -5.951 1.00 0.00 C ATOM 1555 O PRO A 60 -1.367 -8.378 -6.153 1.00 0.00 O ATOM 1556 CB PRO A 60 0.789 -6.778 -7.903 1.00 0.00 C ATOM 1557 CG PRO A 60 2.256 -7.037 -7.815 1.00 0.00 C ATOM 1558 CD PRO A 60 2.741 -6.352 -6.537 1.00 0.00 C ATOM 0 HA PRO A 60 -0.529 -6.005 -6.323 1.00 0.00 H new ATOM 0 HB2 PRO A 60 0.279 -7.580 -8.436 1.00 0.00 H new ATOM 0 HB3 PRO A 60 0.584 -5.855 -8.445 1.00 0.00 H new ATOM 0 HG2 PRO A 60 2.460 -8.107 -7.783 1.00 0.00 H new ATOM 0 HG3 PRO A 60 2.773 -6.640 -8.688 1.00 0.00 H new ATOM 0 HD2 PRO A 60 3.507 -6.942 -6.033 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.178 -5.376 -6.748 1.00 0.00 H new ATOM 1566 N GLY A 61 0.675 -8.790 -5.304 1.00 0.00 N ATOM 1567 CA GLY A 61 0.300 -10.099 -4.781 1.00 0.00 C ATOM 1568 C GLY A 61 1.262 -11.172 -5.280 1.00 0.00 C ATOM 1569 O GLY A 61 1.615 -11.128 -6.446 1.00 0.00 O ATOM 1570 OXT GLY A 61 1.633 -12.019 -4.486 1.00 0.00 O ATOM 0 H GLY A 61 1.644 -8.524 -5.129 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.305 -10.076 -3.691 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.717 -10.342 -5.090 1.00 0.00 H new