USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 526 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B1054 THR OG1 : rot -89:sc= -0.678 USER MOD Set 1.2: B1057 GLN : amide:sc= 0.448 K(o=-0.23,f=-1.1) USER MOD Single : A 48 ASN : amide:sc= -0.398 X(o=-0.4,f=-0.017) USER MOD Single : B1053 MET CE :methyl 163:sc= -4.58 (180deg=-6.52) USER MOD Single : B1058 MET CE :methyl 177:sc= -3.44 (180deg=-3.58) USER MOD Single : B1060 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B1062 MET CE :methyl -144:sc= -2.77! (180deg=-5.19!) 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+ 159:sc= -0.106 (180deg=-0.72) USER MOD Single : B1091 TYR OH : rot 180:sc= -0.048 USER MOD Single : B1097 THR OG1 : rot -155:sc= 0.606 USER MOD Single : B1099 ASN : amide:sc= 1.17 K(o=1.2,f=0) USER MOD Single : B1100 THR OG1 : rot -35:sc= 0.199 USER MOD Single : B1101 SER OG : rot 23:sc= -1.44 USER MOD Single : B1102 CYS SG : rot 48:sc= 0.543 USER MOD Single : B1110 CYS SG : rot 77:sc= -0.177 USER MOD Single : B1115 HIS : no HD1:sc= 0 X(o=0,f=-0.25) USER MOD Single : B1119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B1121 TYR OH : rot -152:sc= -1.63! USER MOD Single : B1122 HIS : no HD1:sc= -0.12 X(o=-0.12,f=-0.013) USER MOD Single : B1125 LYS NZ :NH3+ 173:sc= -0.0266 (180deg=-0.0734) USER MOD Single : B1126 SER OG : rot -35:sc= 1.1 USER MOD ----------------------------------------------------------------- ATOM 61 N MET B1053 -0.866 -7.609 12.580 1.00 0.00 N ATOM 62 CA MET B1053 -2.077 -8.421 12.584 1.00 0.00 C ATOM 63 C MET B1053 -2.255 -9.139 11.246 1.00 0.00 C ATOM 64 O MET B1053 -1.365 -9.115 10.395 1.00 0.00 O ATOM 65 CB MET B1053 -3.298 -7.544 12.886 1.00 0.00 C ATOM 66 CG MET B1053 -2.901 -6.067 12.836 1.00 0.00 C ATOM 67 SD MET B1053 -4.385 -5.043 12.986 1.00 0.00 S ATOM 68 CE MET B1053 -4.532 -4.620 11.235 1.00 0.00 C ATOM 0 HA MET B1053 -1.983 -9.176 13.364 1.00 0.00 H new ATOM 0 HB2 MET B1053 -4.088 -7.742 12.161 1.00 0.00 H new ATOM 0 HB3 MET B1053 -3.699 -7.789 13.870 1.00 0.00 H new ATOM 0 HG2 MET B1053 -2.205 -5.838 13.643 1.00 0.00 H new ATOM 0 HG3 MET B1053 -2.387 -5.848 11.900 1.00 0.00 H new ATOM 0 HE1 MET B1053 -5.536 -4.245 11.034 1.00 0.00 H new ATOM 0 HE2 MET B1053 -3.800 -3.852 10.984 1.00 0.00 H new ATOM 0 HE3 MET B1053 -4.349 -5.508 10.630 1.00 0.00 H new ATOM 78 N THR B1054 -3.405 -9.789 11.074 1.00 0.00 N ATOM 79 CA THR B1054 -3.684 -10.525 9.845 1.00 0.00 C ATOM 80 C THR B1054 -3.961 -9.567 8.689 1.00 0.00 C ATOM 81 O THR B1054 -4.268 -8.394 8.907 1.00 0.00 O ATOM 82 CB THR B1054 -4.886 -11.452 10.050 1.00 0.00 C ATOM 83 OG1 THR B1054 -6.054 -10.671 10.246 1.00 0.00 O ATOM 84 CG2 THR B1054 -4.650 -12.335 11.277 1.00 0.00 C ATOM 0 H THR B1054 -4.153 -9.820 11.766 1.00 0.00 H new ATOM 0 HA THR B1054 -2.806 -11.122 9.597 1.00 0.00 H new ATOM 0 HB THR B1054 -5.012 -12.083 9.170 1.00 0.00 H new ATOM 0 HG1 THR B1054 -6.163 -10.480 11.201 1.00 0.00 H new ATOM 0 HG21 THR B1054 -5.506 -12.994 11.421 1.00 0.00 H new ATOM 0 HG22 THR B1054 -3.752 -12.934 11.127 1.00 0.00 H new ATOM 0 HG23 THR B1054 -4.523 -11.707 12.159 1.00 0.00 H new ATOM 92 N PRO B1055 -3.851 -10.034 7.469 1.00 0.00 N ATOM 93 CA PRO B1055 -4.093 -9.188 6.261 1.00 0.00 C ATOM 94 C PRO B1055 -5.493 -8.584 6.260 1.00 0.00 C ATOM 95 O PRO B1055 -5.684 -7.429 5.879 1.00 0.00 O ATOM 96 CB PRO B1055 -3.929 -10.165 5.093 1.00 0.00 C ATOM 97 CG PRO B1055 -3.080 -11.264 5.631 1.00 0.00 C ATOM 98 CD PRO B1055 -3.488 -11.412 7.093 1.00 0.00 C ATOM 0 HA PRO B1055 -3.411 -8.339 6.214 1.00 0.00 H new ATOM 0 HB2 PRO B1055 -4.894 -10.541 4.754 1.00 0.00 H new ATOM 0 HB3 PRO B1055 -3.456 -9.683 4.238 1.00 0.00 H new ATOM 0 HG2 PRO B1055 -3.243 -12.191 5.082 1.00 0.00 H new ATOM 0 HG3 PRO B1055 -2.021 -11.022 5.541 1.00 0.00 H new ATOM 0 HD2 PRO B1055 -4.326 -12.098 7.212 1.00 0.00 H new ATOM 0 HD3 PRO B1055 -2.672 -11.797 7.704 1.00 0.00 H new ATOM 106 N GLU B1056 -6.468 -9.378 6.691 1.00 0.00 N ATOM 107 CA GLU B1056 -7.847 -8.914 6.734 1.00 0.00 C ATOM 108 C GLU B1056 -7.985 -7.760 7.716 1.00 0.00 C ATOM 109 O GLU B1056 -8.695 -6.790 7.451 1.00 0.00 O ATOM 110 CB GLU B1056 -8.777 -10.057 7.151 1.00 0.00 C ATOM 111 CG GLU B1056 -8.811 -11.118 6.050 1.00 0.00 C ATOM 112 CD GLU B1056 -9.545 -10.579 4.826 1.00 0.00 C ATOM 113 OE1 GLU B1056 -10.186 -9.548 4.951 1.00 0.00 O ATOM 114 OE2 GLU B1056 -9.459 -11.206 3.784 1.00 0.00 O ATOM 0 H GLU B1056 -6.330 -10.336 7.012 1.00 0.00 H new ATOM 0 HA GLU B1056 -8.127 -8.570 5.738 1.00 0.00 H new ATOM 0 HB2 GLU B1056 -8.431 -10.499 8.085 1.00 0.00 H new ATOM 0 HB3 GLU B1056 -9.781 -9.674 7.333 1.00 0.00 H new ATOM 0 HG2 GLU B1056 -7.795 -11.404 5.778 1.00 0.00 H new ATOM 0 HG3 GLU B1056 -9.308 -12.017 6.415 1.00 0.00 H new ATOM 121 N GLN B1057 -7.300 -7.864 8.848 1.00 0.00 N ATOM 122 CA GLN B1057 -7.362 -6.809 9.850 1.00 0.00 C ATOM 123 C GLN B1057 -6.788 -5.513 9.306 1.00 0.00 C ATOM 124 O GLN B1057 -7.328 -4.435 9.556 1.00 0.00 O ATOM 125 CB GLN B1057 -6.586 -7.219 11.095 1.00 0.00 C ATOM 126 CG GLN B1057 -7.355 -8.307 11.834 1.00 0.00 C ATOM 127 CD GLN B1057 -6.583 -8.727 13.078 1.00 0.00 C ATOM 128 OE1 GLN B1057 -5.990 -9.806 13.108 1.00 0.00 O ATOM 129 NE2 GLN B1057 -6.540 -7.924 14.107 1.00 0.00 N ATOM 0 H GLN B1057 -6.704 -8.655 9.093 1.00 0.00 H new ATOM 0 HA GLN B1057 -8.409 -6.651 10.108 1.00 0.00 H new ATOM 0 HB2 GLN B1057 -5.597 -7.582 10.817 1.00 0.00 H new ATOM 0 HB3 GLN B1057 -6.438 -6.357 11.745 1.00 0.00 H new ATOM 0 HG2 GLN B1057 -8.343 -7.941 12.114 1.00 0.00 H new ATOM 0 HG3 GLN B1057 -7.506 -9.166 11.181 1.00 0.00 H new ATOM 0 HE21 GLN B1057 -7.032 -7.031 14.078 1.00 0.00 H new ATOM 0 HE22 GLN B1057 -6.014 -8.190 14.940 1.00 0.00 H new ATOM 138 N MET B1058 -5.692 -5.616 8.566 1.00 0.00 N ATOM 139 CA MET B1058 -5.070 -4.427 8.007 1.00 0.00 C ATOM 140 C MET B1058 -6.018 -3.750 7.031 1.00 0.00 C ATOM 141 O MET B1058 -6.139 -2.525 7.015 1.00 0.00 O ATOM 142 CB MET B1058 -3.766 -4.792 7.294 1.00 0.00 C ATOM 143 CG MET B1058 -2.729 -5.241 8.327 1.00 0.00 C ATOM 144 SD MET B1058 -1.087 -5.310 7.557 1.00 0.00 S ATOM 145 CE MET B1058 -1.370 -6.717 6.454 1.00 0.00 C ATOM 0 H MET B1058 -5.224 -6.494 8.343 1.00 0.00 H new ATOM 0 HA MET B1058 -4.845 -3.739 8.822 1.00 0.00 H new ATOM 0 HB2 MET B1058 -3.944 -5.589 6.572 1.00 0.00 H new ATOM 0 HB3 MET B1058 -3.391 -3.934 6.736 1.00 0.00 H new ATOM 0 HG2 MET B1058 -2.717 -4.549 9.169 1.00 0.00 H new ATOM 0 HG3 MET B1058 -2.997 -6.221 8.723 1.00 0.00 H new ATOM 0 HE1 MET B1058 -0.481 -6.887 5.846 1.00 0.00 H new ATOM 0 HE2 MET B1058 -1.581 -7.607 7.047 1.00 0.00 H new ATOM 0 HE3 MET B1058 -2.219 -6.505 5.804 1.00 0.00 H new ATOM 155 N ALA B1059 -6.697 -4.553 6.218 1.00 0.00 N ATOM 156 CA ALA B1059 -7.637 -4.007 5.247 1.00 0.00 C ATOM 157 C ALA B1059 -8.794 -3.302 5.946 1.00 0.00 C ATOM 158 O ALA B1059 -9.218 -2.224 5.529 1.00 0.00 O ATOM 159 CB ALA B1059 -8.185 -5.125 4.363 1.00 0.00 C ATOM 0 H ALA B1059 -6.616 -5.570 6.211 1.00 0.00 H new ATOM 0 HA ALA B1059 -7.104 -3.281 4.632 1.00 0.00 H new ATOM 0 HB1 ALA B1059 -8.886 -4.707 3.641 1.00 0.00 H new ATOM 0 HB2 ALA B1059 -7.363 -5.606 3.834 1.00 0.00 H new ATOM 0 HB3 ALA B1059 -8.698 -5.861 4.983 1.00 0.00 H new ATOM 165 N LYS B1060 -9.303 -3.919 7.007 1.00 0.00 N ATOM 166 CA LYS B1060 -10.416 -3.338 7.746 1.00 0.00 C ATOM 167 C LYS B1060 -10.015 -2.009 8.368 1.00 0.00 C ATOM 168 O LYS B1060 -10.786 -1.048 8.348 1.00 0.00 O ATOM 169 CB LYS B1060 -10.875 -4.299 8.844 1.00 0.00 C ATOM 170 CG LYS B1060 -11.552 -5.515 8.209 1.00 0.00 C ATOM 171 CD LYS B1060 -11.997 -6.482 9.308 1.00 0.00 C ATOM 172 CE LYS B1060 -12.682 -7.695 8.677 1.00 0.00 C ATOM 173 NZ LYS B1060 -13.106 -8.640 9.749 1.00 0.00 N ATOM 0 H LYS B1060 -8.967 -4.811 7.371 1.00 0.00 H new ATOM 0 HA LYS B1060 -11.235 -3.165 7.048 1.00 0.00 H new ATOM 0 HB2 LYS B1060 -10.022 -4.617 9.444 1.00 0.00 H new ATOM 0 HB3 LYS B1060 -11.568 -3.794 9.517 1.00 0.00 H new ATOM 0 HG2 LYS B1060 -12.412 -5.199 7.618 1.00 0.00 H new ATOM 0 HG3 LYS B1060 -10.863 -6.014 7.528 1.00 0.00 H new ATOM 0 HD2 LYS B1060 -11.136 -6.802 9.895 1.00 0.00 H new ATOM 0 HD3 LYS B1060 -12.681 -5.981 9.993 1.00 0.00 H new ATOM 0 HE2 LYS B1060 -13.547 -7.376 8.096 1.00 0.00 H new ATOM 0 HE3 LYS B1060 -12.001 -8.193 7.987 1.00 0.00 H new ATOM 0 HZ1 LYS B1060 -13.572 -9.465 9.320 1.00 0.00 H new ATOM 0 HZ2 LYS B1060 -12.272 -8.953 10.285 1.00 0.00 H new ATOM 0 HZ3 LYS B1060 -13.770 -8.162 10.390 1.00 0.00 H new ATOM 187 N GLU B1061 -8.806 -1.955 8.915 1.00 0.00 N ATOM 188 CA GLU B1061 -8.328 -0.727 9.534 1.00 0.00 C ATOM 189 C GLU B1061 -8.228 0.391 8.503 1.00 0.00 C ATOM 190 O GLU B1061 -8.642 1.521 8.760 1.00 0.00 O ATOM 191 CB GLU B1061 -6.958 -0.964 10.172 1.00 0.00 C ATOM 192 CG GLU B1061 -7.111 -1.865 11.401 1.00 0.00 C ATOM 193 CD GLU B1061 -7.879 -1.126 12.493 1.00 0.00 C ATOM 194 OE1 GLU B1061 -7.806 0.092 12.520 1.00 0.00 O ATOM 195 OE2 GLU B1061 -8.529 -1.788 13.285 1.00 0.00 O ATOM 0 H GLU B1061 -8.149 -2.734 8.942 1.00 0.00 H new ATOM 0 HA GLU B1061 -9.040 -0.429 10.304 1.00 0.00 H new ATOM 0 HB2 GLU B1061 -6.285 -1.428 9.451 1.00 0.00 H new ATOM 0 HB3 GLU B1061 -6.510 -0.013 10.460 1.00 0.00 H new ATOM 0 HG2 GLU B1061 -7.638 -2.780 11.129 1.00 0.00 H new ATOM 0 HG3 GLU B1061 -6.129 -2.160 11.771 1.00 0.00 H new ATOM 202 N MET B1062 -7.691 0.073 7.326 1.00 0.00 N ATOM 203 CA MET B1062 -7.561 1.074 6.279 1.00 0.00 C ATOM 204 C MET B1062 -8.932 1.529 5.797 1.00 0.00 C ATOM 205 O MET B1062 -9.151 2.711 5.546 1.00 0.00 O ATOM 206 CB MET B1062 -6.757 0.512 5.109 1.00 0.00 C ATOM 207 CG MET B1062 -5.300 0.349 5.538 1.00 0.00 C ATOM 208 SD MET B1062 -4.278 -0.040 4.098 1.00 0.00 S ATOM 209 CE MET B1062 -4.828 -1.742 3.882 1.00 0.00 C ATOM 0 H MET B1062 -7.345 -0.855 7.080 1.00 0.00 H new ATOM 0 HA MET B1062 -7.035 1.935 6.691 1.00 0.00 H new ATOM 0 HB2 MET B1062 -7.167 -0.449 4.798 1.00 0.00 H new ATOM 0 HB3 MET B1062 -6.824 1.181 4.251 1.00 0.00 H new ATOM 0 HG2 MET B1062 -4.946 1.265 6.010 1.00 0.00 H new ATOM 0 HG3 MET B1062 -5.216 -0.445 6.280 1.00 0.00 H new ATOM 0 HE1 MET B1062 -3.991 -2.355 3.549 1.00 0.00 H new ATOM 0 HE2 MET B1062 -5.204 -2.126 4.830 1.00 0.00 H new ATOM 0 HE3 MET B1062 -5.622 -1.776 3.136 1.00 0.00 H new ATOM 219 N SER B1063 -9.854 0.582 5.675 1.00 0.00 N ATOM 220 CA SER B1063 -11.200 0.900 5.221 1.00 0.00 C ATOM 221 C SER B1063 -11.876 1.866 6.187 1.00 0.00 C ATOM 222 O SER B1063 -12.520 2.829 5.770 1.00 0.00 O ATOM 223 CB SER B1063 -12.024 -0.381 5.107 1.00 0.00 C ATOM 224 OG SER B1063 -13.336 -0.057 4.664 1.00 0.00 O ATOM 0 H SER B1063 -9.696 -0.404 5.882 1.00 0.00 H new ATOM 0 HA SER B1063 -11.134 1.376 4.242 1.00 0.00 H new ATOM 0 HB2 SER B1063 -11.551 -1.070 4.407 1.00 0.00 H new ATOM 0 HB3 SER B1063 -12.068 -0.886 6.072 1.00 0.00 H new ATOM 0 HG SER B1063 -13.867 -0.877 4.588 1.00 0.00 H new ATOM 230 N GLU B1064 -11.721 1.604 7.478 1.00 0.00 N ATOM 231 CA GLU B1064 -12.318 2.457 8.495 1.00 0.00 C ATOM 232 C GLU B1064 -11.747 3.869 8.418 1.00 0.00 C ATOM 233 O GLU B1064 -12.478 4.852 8.559 1.00 0.00 O ATOM 234 CB GLU B1064 -12.040 1.877 9.879 1.00 0.00 C ATOM 235 CG GLU B1064 -12.859 0.600 10.074 1.00 0.00 C ATOM 236 CD GLU B1064 -12.464 -0.078 11.382 1.00 0.00 C ATOM 237 OE1 GLU B1064 -11.461 0.318 11.951 1.00 0.00 O ATOM 238 OE2 GLU B1064 -13.172 -0.982 11.795 1.00 0.00 O ATOM 0 H GLU B1064 -11.191 0.813 7.843 1.00 0.00 H new ATOM 0 HA GLU B1064 -13.393 2.502 8.320 1.00 0.00 H new ATOM 0 HB2 GLU B1064 -10.977 1.660 9.987 1.00 0.00 H new ATOM 0 HB3 GLU B1064 -12.296 2.606 10.648 1.00 0.00 H new ATOM 0 HG2 GLU B1064 -13.923 0.838 10.085 1.00 0.00 H new ATOM 0 HG3 GLU B1064 -12.693 -0.079 9.238 1.00 0.00 H new ATOM 559 N LEU B1086 3.834 6.293 -2.173 1.00 0.00 N ATOM 560 CA LEU B1086 3.742 5.741 -0.825 1.00 0.00 C ATOM 561 C LEU B1086 3.488 4.236 -0.866 1.00 0.00 C ATOM 562 O LEU B1086 3.377 3.591 0.176 1.00 0.00 O ATOM 563 CB LEU B1086 2.615 6.434 -0.065 1.00 0.00 C ATOM 564 CG LEU B1086 2.934 7.920 0.043 1.00 0.00 C ATOM 565 CD1 LEU B1086 1.714 8.668 0.577 1.00 0.00 C ATOM 566 CD2 LEU B1086 4.108 8.126 1.003 1.00 0.00 C ATOM 0 HA LEU B1086 4.690 5.914 -0.316 1.00 0.00 H new ATOM 0 HB2 LEU B1086 1.667 6.289 -0.582 1.00 0.00 H new ATOM 0 HB3 LEU B1086 2.507 5.998 0.928 1.00 0.00 H new ATOM 0 HG LEU B1086 3.196 8.302 -0.944 1.00 0.00 H new ATOM 0 HD11 LEU B1086 1.944 9.731 0.654 1.00 0.00 H new ATOM 0 HD12 LEU B1086 0.874 8.526 -0.103 1.00 0.00 H new ATOM 0 HD13 LEU B1086 1.453 8.281 1.562 1.00 0.00 H new ATOM 0 HD21 LEU B1086 4.334 9.190 1.078 1.00 0.00 H new ATOM 0 HD22 LEU B1086 3.845 7.740 1.988 1.00 0.00 H new ATOM 0 HD23 LEU B1086 4.983 7.595 0.627 1.00 0.00 H new ATOM 578 N SER B1087 3.404 3.679 -2.072 1.00 0.00 N ATOM 579 CA SER B1087 3.170 2.250 -2.228 1.00 0.00 C ATOM 580 C SER B1087 4.355 1.454 -1.688 1.00 0.00 C ATOM 581 O SER B1087 4.253 0.250 -1.458 1.00 0.00 O ATOM 582 CB SER B1087 2.945 1.916 -3.704 1.00 0.00 C ATOM 583 OG SER B1087 4.129 2.200 -4.439 1.00 0.00 O ATOM 0 H SER B1087 3.494 4.193 -2.948 1.00 0.00 H new ATOM 0 HA SER B1087 2.280 1.978 -1.660 1.00 0.00 H new ATOM 0 HB2 SER B1087 2.679 0.865 -3.814 1.00 0.00 H new ATOM 0 HB3 SER B1087 2.112 2.498 -4.097 1.00 0.00 H new ATOM 0 HG SER B1087 3.987 1.985 -5.384 1.00 0.00 H new ATOM 589 N LYS B1088 5.475 2.135 -1.485 1.00 0.00 N ATOM 590 CA LYS B1088 6.667 1.478 -0.959 1.00 0.00 C ATOM 591 C LYS B1088 6.708 1.572 0.566 1.00 0.00 C ATOM 592 O LYS B1088 7.524 0.916 1.213 1.00 0.00 O ATOM 593 CB LYS B1088 7.917 2.128 -1.548 1.00 0.00 C ATOM 594 CG LYS B1088 7.989 1.818 -3.043 1.00 0.00 C ATOM 595 CD LYS B1088 9.103 2.647 -3.684 1.00 0.00 C ATOM 596 CE LYS B1088 10.453 2.226 -3.105 1.00 0.00 C ATOM 597 NZ LYS B1088 11.542 2.962 -3.803 1.00 0.00 N ATOM 0 H LYS B1088 5.585 3.131 -1.674 1.00 0.00 H new ATOM 0 HA LYS B1088 6.635 0.426 -1.241 1.00 0.00 H new ATOM 0 HB2 LYS B1088 7.890 3.206 -1.389 1.00 0.00 H new ATOM 0 HB3 LYS B1088 8.808 1.754 -1.044 1.00 0.00 H new ATOM 0 HG2 LYS B1088 8.178 0.755 -3.196 1.00 0.00 H new ATOM 0 HG3 LYS B1088 7.034 2.043 -3.518 1.00 0.00 H new ATOM 0 HD2 LYS B1088 9.099 2.506 -4.765 1.00 0.00 H new ATOM 0 HD3 LYS B1088 8.932 3.708 -3.501 1.00 0.00 H new ATOM 0 HE2 LYS B1088 10.484 2.437 -2.036 1.00 0.00 H new ATOM 0 HE3 LYS B1088 10.592 1.151 -3.222 1.00 0.00 H new ATOM 0 HZ1 LYS B1088 12.461 2.676 -3.410 1.00 0.00 H new ATOM 0 HZ2 LYS B1088 11.516 2.740 -4.819 1.00 0.00 H new ATOM 0 HZ3 LYS B1088 11.411 3.985 -3.669 1.00 0.00 H new ATOM 611 N TRP B1089 5.827 2.393 1.136 1.00 0.00 N ATOM 612 CA TRP B1089 5.780 2.563 2.582 1.00 0.00 C ATOM 613 C TRP B1089 4.963 1.455 3.225 1.00 0.00 C ATOM 614 O TRP B1089 3.879 1.116 2.758 1.00 0.00 O ATOM 615 CB TRP B1089 5.162 3.917 2.940 1.00 0.00 C ATOM 616 CG TRP B1089 6.143 5.006 2.655 1.00 0.00 C ATOM 617 CD1 TRP B1089 6.904 5.087 1.542 1.00 0.00 C ATOM 618 CD2 TRP B1089 6.484 6.165 3.470 1.00 0.00 C ATOM 619 NE1 TRP B1089 7.691 6.213 1.619 1.00 0.00 N ATOM 620 CE2 TRP B1089 7.469 6.917 2.786 1.00 0.00 C ATOM 621 CE3 TRP B1089 6.042 6.636 4.722 1.00 0.00 C ATOM 622 CZ2 TRP B1089 7.997 8.092 3.321 1.00 0.00 C ATOM 623 CZ3 TRP B1089 6.572 7.820 5.262 1.00 0.00 C ATOM 624 CH2 TRP B1089 7.547 8.546 4.563 1.00 0.00 C ATOM 0 H TRP B1089 5.142 2.946 0.621 1.00 0.00 H new ATOM 0 HA TRP B1089 6.802 2.520 2.959 1.00 0.00 H new ATOM 0 HB2 TRP B1089 4.250 4.075 2.364 1.00 0.00 H new ATOM 0 HB3 TRP B1089 4.881 3.933 3.993 1.00 0.00 H new ATOM 0 HD1 TRP B1089 6.896 4.382 0.724 1.00 0.00 H new ATOM 0 HE1 TRP B1089 8.358 6.494 0.900 1.00 0.00 H new ATOM 0 HE3 TRP B1089 5.292 6.084 5.269 1.00 0.00 H new ATOM 0 HZ2 TRP B1089 8.748 8.647 2.779 1.00 0.00 H new ATOM 0 HZ3 TRP B1089 6.226 8.173 6.222 1.00 0.00 H new ATOM 0 HH2 TRP B1089 7.950 9.455 4.984 1.00 0.00 H new ATOM 635 N LYS B1090 5.489 0.903 4.303 1.00 0.00 N ATOM 636 CA LYS B1090 4.800 -0.168 5.014 1.00 0.00 C ATOM 637 C LYS B1090 3.482 0.328 5.585 1.00 0.00 C ATOM 638 O LYS B1090 3.277 1.530 5.753 1.00 0.00 O ATOM 639 CB LYS B1090 5.662 -0.691 6.161 1.00 0.00 C ATOM 640 CG LYS B1090 6.948 -1.310 5.618 1.00 0.00 C ATOM 641 CD LYS B1090 6.628 -2.632 4.918 1.00 0.00 C ATOM 642 CE LYS B1090 7.926 -3.309 4.467 1.00 0.00 C ATOM 643 NZ LYS B1090 8.784 -3.584 5.655 1.00 0.00 N ATOM 0 H LYS B1090 6.386 1.174 4.707 1.00 0.00 H new ATOM 0 HA LYS B1090 4.611 -0.970 4.300 1.00 0.00 H new ATOM 0 HB2 LYS B1090 5.903 0.123 6.845 1.00 0.00 H new ATOM 0 HB3 LYS B1090 5.106 -1.434 6.733 1.00 0.00 H new ATOM 0 HG2 LYS B1090 7.426 -0.624 4.919 1.00 0.00 H new ATOM 0 HG3 LYS B1090 7.653 -1.480 6.432 1.00 0.00 H new ATOM 0 HD2 LYS B1090 6.081 -3.289 5.594 1.00 0.00 H new ATOM 0 HD3 LYS B1090 5.983 -2.452 4.058 1.00 0.00 H new ATOM 0 HE2 LYS B1090 7.701 -4.239 3.945 1.00 0.00 H new ATOM 0 HE3 LYS B1090 8.457 -2.668 3.763 1.00 0.00 H new ATOM 0 HZ1 LYS B1090 9.468 -4.332 5.423 1.00 0.00 H new ATOM 0 HZ2 LYS B1090 9.295 -2.718 5.922 1.00 0.00 H new ATOM 0 HZ3 LYS B1090 8.188 -3.894 6.449 1.00 0.00 H new ATOM 657 N TYR B1091 2.601 -0.610 5.896 1.00 0.00 N ATOM 658 CA TYR B1091 1.311 -0.266 6.469 1.00 0.00 C ATOM 659 C TYR B1091 1.511 0.529 7.748 1.00 0.00 C ATOM 660 O TYR B1091 0.880 1.567 7.951 1.00 0.00 O ATOM 661 CB TYR B1091 0.514 -1.535 6.776 1.00 0.00 C ATOM 662 CG TYR B1091 -0.695 -1.188 7.618 1.00 0.00 C ATOM 663 CD1 TYR B1091 -1.772 -0.493 7.057 1.00 0.00 C ATOM 664 CD2 TYR B1091 -0.731 -1.567 8.965 1.00 0.00 C ATOM 665 CE1 TYR B1091 -2.886 -0.175 7.847 1.00 0.00 C ATOM 666 CE2 TYR B1091 -1.845 -1.249 9.754 1.00 0.00 C ATOM 667 CZ TYR B1091 -2.922 -0.552 9.195 1.00 0.00 C ATOM 668 OH TYR B1091 -4.018 -0.238 9.971 1.00 0.00 O ATOM 0 H TYR B1091 2.755 -1.609 5.762 1.00 0.00 H new ATOM 0 HA TYR B1091 0.757 0.337 5.749 1.00 0.00 H new ATOM 0 HB2 TYR B1091 0.198 -2.011 5.848 1.00 0.00 H new ATOM 0 HB3 TYR B1091 1.143 -2.252 7.304 1.00 0.00 H new ATOM 0 HD1 TYR B1091 -1.745 -0.202 6.017 1.00 0.00 H new ATOM 0 HD2 TYR B1091 0.100 -2.105 9.397 1.00 0.00 H new ATOM 0 HE1 TYR B1091 -3.718 0.362 7.415 1.00 0.00 H new ATOM 0 HE2 TYR B1091 -1.872 -1.542 10.793 1.00 0.00 H new ATOM 0 HH TYR B1091 -3.881 -0.574 10.882 1.00 0.00 H new ATOM 678 N ALA B1092 2.396 0.046 8.612 1.00 0.00 N ATOM 679 CA ALA B1092 2.661 0.740 9.865 1.00 0.00 C ATOM 680 C ALA B1092 3.248 2.123 9.597 1.00 0.00 C ATOM 681 O ALA B1092 2.917 3.093 10.279 1.00 0.00 O ATOM 682 CB ALA B1092 3.622 -0.073 10.727 1.00 0.00 C ATOM 0 H ALA B1092 2.934 -0.809 8.472 1.00 0.00 H new ATOM 0 HA ALA B1092 1.718 0.857 10.398 1.00 0.00 H new ATOM 0 HB1 ALA B1092 3.811 0.457 11.660 1.00 0.00 H new ATOM 0 HB2 ALA B1092 3.181 -1.046 10.945 1.00 0.00 H new ATOM 0 HB3 ALA B1092 4.561 -0.213 10.192 1.00 0.00 H new ATOM 688 N GLU B1093 4.129 2.201 8.605 1.00 0.00 N ATOM 689 CA GLU B1093 4.770 3.466 8.256 1.00 0.00 C ATOM 690 C GLU B1093 3.740 4.486 7.789 1.00 0.00 C ATOM 691 O GLU B1093 3.787 5.651 8.181 1.00 0.00 O ATOM 692 CB GLU B1093 5.800 3.235 7.147 1.00 0.00 C ATOM 693 CG GLU B1093 6.970 2.410 7.689 1.00 0.00 C ATOM 694 CD GLU B1093 7.799 3.246 8.657 1.00 0.00 C ATOM 695 OE1 GLU B1093 7.616 4.451 8.676 1.00 0.00 O ATOM 696 OE2 GLU B1093 8.609 2.667 9.365 1.00 0.00 O ATOM 0 H GLU B1093 4.415 1.408 8.031 1.00 0.00 H new ATOM 0 HA GLU B1093 5.266 3.856 9.145 1.00 0.00 H new ATOM 0 HB2 GLU B1093 5.335 2.716 6.309 1.00 0.00 H new ATOM 0 HB3 GLU B1093 6.162 4.191 6.769 1.00 0.00 H new ATOM 0 HG2 GLU B1093 6.594 1.521 8.195 1.00 0.00 H new ATOM 0 HG3 GLU B1093 7.596 2.067 6.865 1.00 0.00 H new ATOM 703 N LEU B1094 2.797 4.045 6.962 1.00 0.00 N ATOM 704 CA LEU B1094 1.761 4.942 6.472 1.00 0.00 C ATOM 705 C LEU B1094 0.880 5.400 7.615 1.00 0.00 C ATOM 706 O LEU B1094 0.476 6.560 7.675 1.00 0.00 O ATOM 707 CB LEU B1094 0.919 4.245 5.409 1.00 0.00 C ATOM 708 CG LEU B1094 1.755 4.093 4.141 1.00 0.00 C ATOM 709 CD1 LEU B1094 1.063 3.125 3.181 1.00 0.00 C ATOM 710 CD2 LEU B1094 1.893 5.457 3.463 1.00 0.00 C ATOM 0 H LEU B1094 2.730 3.086 6.622 1.00 0.00 H new ATOM 0 HA LEU B1094 2.239 5.814 6.026 1.00 0.00 H new ATOM 0 HB2 LEU B1094 0.594 3.268 5.766 1.00 0.00 H new ATOM 0 HB3 LEU B1094 0.019 4.824 5.201 1.00 0.00 H new ATOM 0 HG LEU B1094 2.740 3.705 4.401 1.00 0.00 H new ATOM 0 HD11 LEU B1094 1.662 3.019 2.277 1.00 0.00 H new ATOM 0 HD12 LEU B1094 0.954 2.152 3.661 1.00 0.00 H new ATOM 0 HD13 LEU B1094 0.078 3.513 2.920 1.00 0.00 H new ATOM 0 HD21 LEU B1094 2.489 5.354 2.557 1.00 0.00 H new ATOM 0 HD22 LEU B1094 0.904 5.837 3.206 1.00 0.00 H new ATOM 0 HD23 LEU B1094 2.384 6.153 4.143 1.00 0.00 H new ATOM 722 N ARG B1095 0.586 4.486 8.527 1.00 0.00 N ATOM 723 CA ARG B1095 -0.246 4.818 9.665 1.00 0.00 C ATOM 724 C ARG B1095 0.401 5.934 10.471 1.00 0.00 C ATOM 725 O ARG B1095 -0.239 6.934 10.794 1.00 0.00 O ATOM 726 CB ARG B1095 -0.414 3.582 10.546 1.00 0.00 C ATOM 727 CG ARG B1095 -1.378 3.903 11.689 1.00 0.00 C ATOM 728 CD ARG B1095 -1.502 2.688 12.608 1.00 0.00 C ATOM 729 NE ARG B1095 -0.254 2.475 13.339 1.00 0.00 N ATOM 730 CZ ARG B1095 -0.051 1.385 14.086 1.00 0.00 C ATOM 731 NH1 ARG B1095 -0.971 0.459 14.184 1.00 0.00 N ATOM 732 NH2 ARG B1095 1.075 1.244 14.729 1.00 0.00 N ATOM 0 H ARG B1095 0.909 3.519 8.500 1.00 0.00 H new ATOM 0 HA ARG B1095 -1.222 5.152 9.313 1.00 0.00 H new ATOM 0 HB2 ARG B1095 -0.797 2.750 9.955 1.00 0.00 H new ATOM 0 HB3 ARG B1095 0.552 3.272 10.946 1.00 0.00 H new ATOM 0 HG2 ARG B1095 -1.017 4.763 12.253 1.00 0.00 H new ATOM 0 HG3 ARG B1095 -2.356 4.171 11.290 1.00 0.00 H new ATOM 0 HD2 ARG B1095 -2.322 2.837 13.311 1.00 0.00 H new ATOM 0 HD3 ARG B1095 -1.743 1.802 12.020 1.00 0.00 H new ATOM 0 HE ARG B1095 0.483 3.178 13.277 1.00 0.00 H new ATOM 0 HH11 ARG B1095 -1.855 0.564 13.687 1.00 0.00 H new ATOM 0 HH12 ARG B1095 -0.803 -0.368 14.757 1.00 0.00 H new ATOM 0 HH21 ARG B1095 1.795 1.963 14.660 1.00 0.00 H new ATOM 0 HH22 ARG B1095 1.236 0.415 15.300 1.00 0.00 H new ATOM 746 N ASP B1096 1.684 5.771 10.768 1.00 0.00 N ATOM 747 CA ASP B1096 2.411 6.785 11.517 1.00 0.00 C ATOM 748 C ASP B1096 2.491 8.072 10.708 1.00 0.00 C ATOM 749 O ASP B1096 2.379 9.168 11.257 1.00 0.00 O ATOM 750 CB ASP B1096 3.816 6.293 11.860 1.00 0.00 C ATOM 751 CG ASP B1096 3.735 5.204 12.924 1.00 0.00 C ATOM 752 OD1 ASP B1096 2.676 5.057 13.514 1.00 0.00 O ATOM 753 OD2 ASP B1096 4.731 4.535 13.135 1.00 0.00 O ATOM 0 H ASP B1096 2.237 4.955 10.505 1.00 0.00 H new ATOM 0 HA ASP B1096 1.876 6.981 12.446 1.00 0.00 H new ATOM 0 HB2 ASP B1096 4.304 5.905 10.966 1.00 0.00 H new ATOM 0 HB3 ASP B1096 4.424 7.123 12.221 1.00 0.00 H new ATOM 758 N THR B1097 2.684 7.938 9.396 1.00 0.00 N ATOM 759 CA THR B1097 2.776 9.108 8.542 1.00 0.00 C ATOM 760 C THR B1097 1.491 9.927 8.617 1.00 0.00 C ATOM 761 O THR B1097 1.530 11.147 8.730 1.00 0.00 O ATOM 762 CB THR B1097 3.027 8.675 7.100 1.00 0.00 C ATOM 763 OG1 THR B1097 4.256 7.964 7.032 1.00 0.00 O ATOM 764 CG2 THR B1097 3.097 9.913 6.208 1.00 0.00 C ATOM 0 H THR B1097 2.778 7.044 8.913 1.00 0.00 H new ATOM 0 HA THR B1097 3.605 9.727 8.886 1.00 0.00 H new ATOM 0 HB THR B1097 2.217 8.030 6.760 1.00 0.00 H new ATOM 0 HG1 THR B1097 4.620 8.025 6.124 1.00 0.00 H new ATOM 0 HG21 THR B1097 3.276 9.609 5.177 1.00 0.00 H new ATOM 0 HG22 THR B1097 2.155 10.458 6.267 1.00 0.00 H new ATOM 0 HG23 THR B1097 3.910 10.557 6.543 1.00 0.00 H new ATOM 772 N ILE B1098 0.351 9.255 8.546 1.00 0.00 N ATOM 773 CA ILE B1098 -0.929 9.951 8.604 1.00 0.00 C ATOM 774 C ILE B1098 -1.098 10.677 9.938 1.00 0.00 C ATOM 775 O ILE B1098 -1.485 11.845 9.975 1.00 0.00 O ATOM 776 CB ILE B1098 -2.067 8.950 8.423 1.00 0.00 C ATOM 777 CG1 ILE B1098 -2.017 8.402 7.001 1.00 0.00 C ATOM 778 CG2 ILE B1098 -3.407 9.651 8.658 1.00 0.00 C ATOM 779 CD1 ILE B1098 -2.981 7.222 6.866 1.00 0.00 C ATOM 0 H ILE B1098 0.284 8.242 8.449 1.00 0.00 H new ATOM 0 HA ILE B1098 -0.953 10.689 7.802 1.00 0.00 H new ATOM 0 HB ILE B1098 -1.962 8.134 9.138 1.00 0.00 H new ATOM 0 HG12 ILE B1098 -2.284 9.184 6.290 1.00 0.00 H new ATOM 0 HG13 ILE B1098 -1.003 8.084 6.759 1.00 0.00 H new ATOM 0 HG21 ILE B1098 -4.219 8.936 8.529 1.00 0.00 H new ATOM 0 HG22 ILE B1098 -3.435 10.052 9.671 1.00 0.00 H new ATOM 0 HG23 ILE B1098 -3.522 10.465 7.942 1.00 0.00 H new ATOM 0 HD11 ILE B1098 -2.941 6.834 5.848 1.00 0.00 H new ATOM 0 HD12 ILE B1098 -2.694 6.436 7.565 1.00 0.00 H new ATOM 0 HD13 ILE B1098 -3.995 7.553 7.089 1.00 0.00 H new ATOM 791 N ASN B1099 -0.809 9.977 11.028 1.00 0.00 N ATOM 792 CA ASN B1099 -0.944 10.561 12.359 1.00 0.00 C ATOM 793 C ASN B1099 -0.018 11.757 12.531 1.00 0.00 C ATOM 794 O ASN B1099 -0.392 12.760 13.140 1.00 0.00 O ATOM 795 CB ASN B1099 -0.628 9.505 13.416 1.00 0.00 C ATOM 796 CG ASN B1099 -1.841 8.608 13.622 1.00 0.00 C ATOM 797 OD1 ASN B1099 -2.595 8.789 14.579 1.00 0.00 O ATOM 798 ND2 ASN B1099 -2.101 7.669 12.753 1.00 0.00 N ATOM 0 H ASN B1099 -0.482 9.011 11.019 1.00 0.00 H new ATOM 0 HA ASN B1099 -1.971 10.907 12.480 1.00 0.00 H new ATOM 0 HB2 ASN B1099 0.229 8.908 13.103 1.00 0.00 H new ATOM 0 HB3 ASN B1099 -0.356 9.986 14.355 1.00 0.00 H new ATOM 0 HD21 ASN B1099 -2.929 7.084 12.866 1.00 0.00 H new ATOM 0 HD22 ASN B1099 -1.476 7.520 11.961 1.00 0.00 H new ATOM 805 N THR B1100 1.189 11.651 11.993 1.00 0.00 N ATOM 806 CA THR B1100 2.151 12.738 12.098 1.00 0.00 C ATOM 807 C THR B1100 2.018 13.706 10.921 1.00 0.00 C ATOM 808 O THR B1100 2.733 14.705 10.851 1.00 0.00 O ATOM 809 CB THR B1100 3.573 12.173 12.149 1.00 0.00 C ATOM 810 OG1 THR B1100 4.460 13.170 12.633 1.00 0.00 O ATOM 811 CG2 THR B1100 3.999 11.741 10.748 1.00 0.00 C ATOM 0 H THR B1100 1.523 10.832 11.485 1.00 0.00 H new ATOM 0 HA THR B1100 1.945 13.287 13.017 1.00 0.00 H new ATOM 0 HB THR B1100 3.600 11.311 12.816 1.00 0.00 H new ATOM 0 HG1 THR B1100 4.172 14.049 12.310 1.00 0.00 H new ATOM 0 HG21 THR B1100 5.011 11.339 10.783 1.00 0.00 H new ATOM 0 HG22 THR B1100 3.317 10.975 10.380 1.00 0.00 H new ATOM 0 HG23 THR B1100 3.974 12.601 10.079 1.00 0.00 H new ATOM 819 N SER B1101 1.112 13.402 9.990 1.00 0.00 N ATOM 820 CA SER B1101 0.919 14.251 8.826 1.00 0.00 C ATOM 821 C SER B1101 0.471 15.643 9.247 1.00 0.00 C ATOM 822 O SER B1101 -0.376 15.798 10.126 1.00 0.00 O ATOM 823 CB SER B1101 -0.131 13.637 7.900 1.00 0.00 C ATOM 824 OG SER B1101 -0.323 14.492 6.780 1.00 0.00 O ATOM 0 H SER B1101 0.508 12.581 10.023 1.00 0.00 H new ATOM 0 HA SER B1101 1.869 14.330 8.298 1.00 0.00 H new ATOM 0 HB2 SER B1101 0.192 12.650 7.568 1.00 0.00 H new ATOM 0 HB3 SER B1101 -1.071 13.502 8.435 1.00 0.00 H new ATOM 0 HG SER B1101 0.471 15.054 6.657 1.00 0.00 H new ATOM 830 N CYS B1102 1.046 16.651 8.606 1.00 0.00 N ATOM 831 CA CYS B1102 0.704 18.034 8.910 1.00 0.00 C ATOM 832 C CYS B1102 0.167 18.742 7.668 1.00 0.00 C ATOM 833 O CYS B1102 0.156 19.972 7.603 1.00 0.00 O ATOM 834 CB CYS B1102 1.938 18.772 9.432 1.00 0.00 C ATOM 835 SG CYS B1102 2.514 17.979 10.955 1.00 0.00 S ATOM 0 H CYS B1102 1.749 16.538 7.875 1.00 0.00 H new ATOM 0 HA CYS B1102 -0.072 18.038 9.676 1.00 0.00 H new ATOM 0 HB2 CYS B1102 2.728 18.759 8.681 1.00 0.00 H new ATOM 0 HB3 CYS B1102 1.696 19.818 9.622 1.00 0.00 H new ATOM 0 HG CYS B1102 2.574 16.692 10.778 1.00 0.00 H new ATOM 841 N ASP B1103 -0.275 17.962 6.684 1.00 0.00 N ATOM 842 CA ASP B1103 -0.805 18.534 5.451 1.00 0.00 C ATOM 843 C ASP B1103 -1.897 17.638 4.877 1.00 0.00 C ATOM 844 O ASP B1103 -1.868 16.420 5.048 1.00 0.00 O ATOM 845 CB ASP B1103 0.317 18.694 4.425 1.00 0.00 C ATOM 846 CG ASP B1103 -0.096 19.686 3.341 1.00 0.00 C ATOM 847 OD1 ASP B1103 -1.012 20.454 3.583 1.00 0.00 O ATOM 848 OD2 ASP B1103 0.510 19.661 2.282 1.00 0.00 O ATOM 0 H ASP B1103 -0.277 16.943 6.716 1.00 0.00 H new ATOM 0 HA ASP B1103 -1.231 19.512 5.677 1.00 0.00 H new ATOM 0 HB2 ASP B1103 1.224 19.041 4.919 1.00 0.00 H new ATOM 0 HB3 ASP B1103 0.549 17.728 3.975 1.00 0.00 H new ATOM 853 N ILE B1104 -2.858 18.249 4.195 1.00 0.00 N ATOM 854 CA ILE B1104 -3.954 17.498 3.603 1.00 0.00 C ATOM 855 C ILE B1104 -3.469 16.672 2.415 1.00 0.00 C ATOM 856 O ILE B1104 -4.035 15.625 2.107 1.00 0.00 O ATOM 857 CB ILE B1104 -5.054 18.465 3.154 1.00 0.00 C ATOM 858 CG1 ILE B1104 -4.494 19.433 2.108 1.00 0.00 C ATOM 859 CG2 ILE B1104 -5.560 19.259 4.359 1.00 0.00 C ATOM 860 CD1 ILE B1104 -5.627 20.307 1.566 1.00 0.00 C ATOM 0 H ILE B1104 -2.900 19.256 4.040 1.00 0.00 H new ATOM 0 HA ILE B1104 -4.352 16.814 4.353 1.00 0.00 H new ATOM 0 HB ILE B1104 -5.876 17.897 2.719 1.00 0.00 H new ATOM 0 HG12 ILE B1104 -3.719 20.057 2.552 1.00 0.00 H new ATOM 0 HG13 ILE B1104 -4.028 18.877 1.295 1.00 0.00 H new ATOM 0 HG21 ILE B1104 -6.343 19.947 4.039 1.00 0.00 H new ATOM 0 HG22 ILE B1104 -5.963 18.573 5.104 1.00 0.00 H new ATOM 0 HG23 ILE B1104 -4.736 19.824 4.794 1.00 0.00 H new ATOM 0 HD11 ILE B1104 -5.230 20.997 0.821 1.00 0.00 H new ATOM 0 HD12 ILE B1104 -6.386 19.674 1.106 1.00 0.00 H new ATOM 0 HD13 ILE B1104 -6.073 20.873 2.384 1.00 0.00 H new ATOM 872 N GLU B1105 -2.415 17.146 1.757 1.00 0.00 N ATOM 873 CA GLU B1105 -1.862 16.441 0.606 1.00 0.00 C ATOM 874 C GLU B1105 -1.320 15.078 1.021 1.00 0.00 C ATOM 875 O GLU B1105 -1.577 14.069 0.366 1.00 0.00 O ATOM 876 CB GLU B1105 -0.732 17.270 -0.013 1.00 0.00 C ATOM 877 CG GLU B1105 -1.319 18.508 -0.698 1.00 0.00 C ATOM 878 CD GLU B1105 -0.196 19.432 -1.161 1.00 0.00 C ATOM 879 OE1 GLU B1105 0.928 19.229 -0.730 1.00 0.00 O ATOM 880 OE2 GLU B1105 -0.475 20.326 -1.943 1.00 0.00 O ATOM 0 H GLU B1105 -1.930 18.010 1.999 1.00 0.00 H new ATOM 0 HA GLU B1105 -2.657 16.296 -0.126 1.00 0.00 H new ATOM 0 HB2 GLU B1105 -0.023 17.571 0.759 1.00 0.00 H new ATOM 0 HB3 GLU B1105 -0.180 16.669 -0.736 1.00 0.00 H new ATOM 0 HG2 GLU B1105 -1.928 18.207 -1.550 1.00 0.00 H new ATOM 0 HG3 GLU B1105 -1.976 19.038 -0.008 1.00 0.00 H new ATOM 887 N LEU B1106 -0.580 15.053 2.121 1.00 0.00 N ATOM 888 CA LEU B1106 -0.018 13.807 2.614 1.00 0.00 C ATOM 889 C LEU B1106 -1.127 12.881 3.101 1.00 0.00 C ATOM 890 O LEU B1106 -1.085 11.670 2.879 1.00 0.00 O ATOM 891 CB LEU B1106 0.952 14.089 3.761 1.00 0.00 C ATOM 892 CG LEU B1106 1.567 12.773 4.245 1.00 0.00 C ATOM 893 CD1 LEU B1106 2.446 12.180 3.142 1.00 0.00 C ATOM 894 CD2 LEU B1106 2.415 13.037 5.489 1.00 0.00 C ATOM 0 H LEU B1106 -0.357 15.874 2.683 1.00 0.00 H new ATOM 0 HA LEU B1106 0.518 13.322 1.798 1.00 0.00 H new ATOM 0 HB2 LEU B1106 1.737 14.769 3.429 1.00 0.00 H new ATOM 0 HB3 LEU B1106 0.429 14.582 4.581 1.00 0.00 H new ATOM 0 HG LEU B1106 0.772 12.069 4.489 1.00 0.00 H new ATOM 0 HD11 LEU B1106 2.883 11.243 3.489 1.00 0.00 H new ATOM 0 HD12 LEU B1106 1.840 11.992 2.256 1.00 0.00 H new ATOM 0 HD13 LEU B1106 3.242 12.882 2.895 1.00 0.00 H new ATOM 0 HD21 LEU B1106 2.854 12.101 5.835 1.00 0.00 H new ATOM 0 HD22 LEU B1106 3.210 13.742 5.245 1.00 0.00 H new ATOM 0 HD23 LEU B1106 1.787 13.456 6.275 1.00 0.00 H new ATOM 906 N LEU B1107 -2.111 13.461 3.783 1.00 0.00 N ATOM 907 CA LEU B1107 -3.221 12.681 4.317 1.00 0.00 C ATOM 908 C LEU B1107 -3.963 11.993 3.181 1.00 0.00 C ATOM 909 O LEU B1107 -4.293 10.808 3.257 1.00 0.00 O ATOM 910 CB LEU B1107 -4.180 13.619 5.054 1.00 0.00 C ATOM 911 CG LEU B1107 -3.506 14.137 6.327 1.00 0.00 C ATOM 912 CD1 LEU B1107 -4.318 15.299 6.902 1.00 0.00 C ATOM 913 CD2 LEU B1107 -3.431 13.015 7.363 1.00 0.00 C ATOM 0 H LEU B1107 -2.162 14.461 3.977 1.00 0.00 H new ATOM 0 HA LEU B1107 -2.838 11.926 5.003 1.00 0.00 H new ATOM 0 HB2 LEU B1107 -4.456 14.454 4.410 1.00 0.00 H new ATOM 0 HB3 LEU B1107 -5.100 13.092 5.305 1.00 0.00 H new ATOM 0 HG LEU B1107 -2.500 14.478 6.085 1.00 0.00 H new ATOM 0 HD11 LEU B1107 -3.836 15.666 7.808 1.00 0.00 H new ATOM 0 HD12 LEU B1107 -4.372 16.103 6.168 1.00 0.00 H new ATOM 0 HD13 LEU B1107 -5.325 14.957 7.140 1.00 0.00 H new ATOM 0 HD21 LEU B1107 -2.951 13.387 8.268 1.00 0.00 H new ATOM 0 HD22 LEU B1107 -4.438 12.672 7.601 1.00 0.00 H new ATOM 0 HD23 LEU B1107 -2.851 12.185 6.959 1.00 0.00 H new ATOM 925 N ALA B1108 -4.196 12.744 2.117 1.00 0.00 N ATOM 926 CA ALA B1108 -4.873 12.208 0.950 1.00 0.00 C ATOM 927 C ALA B1108 -4.001 11.159 0.270 1.00 0.00 C ATOM 928 O ALA B1108 -4.507 10.199 -0.308 1.00 0.00 O ATOM 929 CB ALA B1108 -5.195 13.336 -0.031 1.00 0.00 C ATOM 0 H ALA B1108 -3.927 13.725 2.038 1.00 0.00 H new ATOM 0 HA ALA B1108 -5.803 11.738 1.269 1.00 0.00 H new ATOM 0 HB1 ALA B1108 -5.703 12.925 -0.904 1.00 0.00 H new ATOM 0 HB2 ALA B1108 -5.842 14.067 0.455 1.00 0.00 H new ATOM 0 HB3 ALA B1108 -4.270 13.821 -0.344 1.00 0.00 H new ATOM 935 N ALA B1109 -2.688 11.358 0.331 1.00 0.00 N ATOM 936 CA ALA B1109 -1.762 10.430 -0.301 1.00 0.00 C ATOM 937 C ALA B1109 -1.879 9.048 0.318 1.00 0.00 C ATOM 938 O ALA B1109 -1.906 8.039 -0.384 1.00 0.00 O ATOM 939 CB ALA B1109 -0.331 10.948 -0.142 1.00 0.00 C ATOM 0 H ALA B1109 -2.247 12.145 0.807 1.00 0.00 H new ATOM 0 HA ALA B1109 -2.010 10.356 -1.360 1.00 0.00 H new ATOM 0 HB1 ALA B1109 0.362 10.253 -0.615 1.00 0.00 H new ATOM 0 HB2 ALA B1109 -0.243 11.926 -0.615 1.00 0.00 H new ATOM 0 HB3 ALA B1109 -0.091 11.035 0.918 1.00 0.00 H new ATOM 945 N CYS B1110 -1.949 9.009 1.638 1.00 0.00 N ATOM 946 CA CYS B1110 -2.061 7.742 2.341 1.00 0.00 C ATOM 947 C CYS B1110 -3.414 7.110 2.074 1.00 0.00 C ATOM 948 O CYS B1110 -3.525 5.899 1.882 1.00 0.00 O ATOM 949 CB CYS B1110 -1.875 7.986 3.827 1.00 0.00 C ATOM 950 SG CYS B1110 -0.166 8.500 4.079 1.00 0.00 S ATOM 0 H CYS B1110 -1.931 9.832 2.240 1.00 0.00 H new ATOM 0 HA CYS B1110 -1.291 7.057 1.986 1.00 0.00 H new ATOM 0 HB2 CYS B1110 -2.563 8.755 4.179 1.00 0.00 H new ATOM 0 HB3 CYS B1110 -2.091 7.081 4.395 1.00 0.00 H new ATOM 0 HG CYS B1110 -0.030 9.744 3.725 1.00 0.00 H new ATOM 956 N ARG B1111 -4.441 7.944 2.054 1.00 0.00 N ATOM 957 CA ARG B1111 -5.786 7.462 1.800 1.00 0.00 C ATOM 958 C ARG B1111 -5.868 6.831 0.416 1.00 0.00 C ATOM 959 O ARG B1111 -6.465 5.770 0.242 1.00 0.00 O ATOM 960 CB ARG B1111 -6.760 8.631 1.896 1.00 0.00 C ATOM 961 CG ARG B1111 -6.902 9.055 3.359 1.00 0.00 C ATOM 962 CD ARG B1111 -7.730 10.337 3.431 1.00 0.00 C ATOM 963 NE ARG B1111 -7.923 10.742 4.821 1.00 0.00 N ATOM 964 CZ ARG B1111 -8.461 11.923 5.140 1.00 0.00 C ATOM 965 NH1 ARG B1111 -8.836 12.761 4.208 1.00 0.00 N ATOM 966 NH2 ARG B1111 -8.611 12.248 6.395 1.00 0.00 N ATOM 0 H ARG B1111 -4.369 8.950 2.209 1.00 0.00 H new ATOM 0 HA ARG B1111 -6.045 6.706 2.541 1.00 0.00 H new ATOM 0 HB2 ARG B1111 -6.401 9.468 1.297 1.00 0.00 H new ATOM 0 HB3 ARG B1111 -7.731 8.344 1.493 1.00 0.00 H new ATOM 0 HG2 ARG B1111 -7.383 8.264 3.934 1.00 0.00 H new ATOM 0 HG3 ARG B1111 -5.919 9.217 3.800 1.00 0.00 H new ATOM 0 HD2 ARG B1111 -7.228 11.133 2.880 1.00 0.00 H new ATOM 0 HD3 ARG B1111 -8.697 10.180 2.954 1.00 0.00 H new ATOM 0 HE ARG B1111 -7.640 10.107 5.567 1.00 0.00 H new ATOM 0 HH11 ARG B1111 -8.719 12.516 3.225 1.00 0.00 H new ATOM 0 HH12 ARG B1111 -9.245 13.659 4.465 1.00 0.00 H new ATOM 0 HH21 ARG B1111 -8.318 11.602 7.128 1.00 0.00 H new ATOM 0 HH22 ARG B1111 -9.021 13.148 6.643 1.00 0.00 H new ATOM 980 N GLU B1112 -5.249 7.481 -0.561 1.00 0.00 N ATOM 981 CA GLU B1112 -5.247 6.957 -1.921 1.00 0.00 C ATOM 982 C GLU B1112 -4.488 5.643 -1.984 1.00 0.00 C ATOM 983 O GLU B1112 -4.904 4.706 -2.670 1.00 0.00 O ATOM 984 CB GLU B1112 -4.595 7.958 -2.864 1.00 0.00 C ATOM 985 CG GLU B1112 -5.504 9.175 -3.010 1.00 0.00 C ATOM 986 CD GLU B1112 -6.728 8.815 -3.847 1.00 0.00 C ATOM 987 OE1 GLU B1112 -6.713 7.761 -4.461 1.00 0.00 O ATOM 988 OE2 GLU B1112 -7.662 9.600 -3.862 1.00 0.00 O ATOM 0 H GLU B1112 -4.748 8.361 -0.440 1.00 0.00 H new ATOM 0 HA GLU B1112 -6.280 6.787 -2.224 1.00 0.00 H new ATOM 0 HB2 GLU B1112 -3.622 8.260 -2.477 1.00 0.00 H new ATOM 0 HB3 GLU B1112 -4.422 7.499 -3.838 1.00 0.00 H new ATOM 0 HG2 GLU B1112 -5.816 9.526 -2.026 1.00 0.00 H new ATOM 0 HG3 GLU B1112 -4.958 9.992 -3.482 1.00 0.00 H new ATOM 995 N GLU B1113 -3.372 5.575 -1.264 1.00 0.00 N ATOM 996 CA GLU B1113 -2.575 4.362 -1.254 1.00 0.00 C ATOM 997 C GLU B1113 -3.381 3.215 -0.675 1.00 0.00 C ATOM 998 O GLU B1113 -3.324 2.089 -1.168 1.00 0.00 O ATOM 999 CB GLU B1113 -1.305 4.568 -0.428 1.00 0.00 C ATOM 1000 CG GLU B1113 -0.502 3.266 -0.394 1.00 0.00 C ATOM 1001 CD GLU B1113 -0.135 2.844 -1.812 1.00 0.00 C ATOM 1002 OE1 GLU B1113 -0.059 3.712 -2.667 1.00 0.00 O ATOM 1003 OE2 GLU B1113 0.050 1.657 -2.025 1.00 0.00 O ATOM 0 H GLU B1113 -3.007 6.335 -0.690 1.00 0.00 H new ATOM 0 HA GLU B1113 -2.295 4.122 -2.280 1.00 0.00 H new ATOM 0 HB2 GLU B1113 -0.703 5.368 -0.860 1.00 0.00 H new ATOM 0 HB3 GLU B1113 -1.563 4.875 0.585 1.00 0.00 H new ATOM 0 HG2 GLU B1113 0.402 3.402 0.200 1.00 0.00 H new ATOM 0 HG3 GLU B1113 -1.085 2.482 0.088 1.00 0.00 H new ATOM 1010 N PHE B1114 -4.126 3.504 0.376 1.00 0.00 N ATOM 1011 CA PHE B1114 -4.933 2.480 1.022 1.00 0.00 C ATOM 1012 C PHE B1114 -6.033 1.992 0.091 1.00 0.00 C ATOM 1013 O PHE B1114 -6.309 0.800 0.031 1.00 0.00 O ATOM 1014 CB PHE B1114 -5.540 3.020 2.323 1.00 0.00 C ATOM 1015 CG PHE B1114 -4.493 3.116 3.431 1.00 0.00 C ATOM 1016 CD1 PHE B1114 -4.888 3.553 4.700 1.00 0.00 C ATOM 1017 CD2 PHE B1114 -3.141 2.783 3.202 1.00 0.00 C ATOM 1018 CE1 PHE B1114 -3.953 3.655 5.735 1.00 0.00 C ATOM 1019 CE2 PHE B1114 -2.208 2.883 4.243 1.00 0.00 C ATOM 1020 CZ PHE B1114 -2.613 3.320 5.507 1.00 0.00 C ATOM 0 H PHE B1114 -4.191 4.430 0.799 1.00 0.00 H new ATOM 0 HA PHE B1114 -4.285 1.636 1.260 1.00 0.00 H new ATOM 0 HB2 PHE B1114 -5.972 4.004 2.143 1.00 0.00 H new ATOM 0 HB3 PHE B1114 -6.353 2.369 2.644 1.00 0.00 H new ATOM 0 HD1 PHE B1114 -5.920 3.813 4.881 1.00 0.00 H new ATOM 0 HD2 PHE B1114 -2.825 2.451 2.224 1.00 0.00 H new ATOM 0 HE1 PHE B1114 -4.265 3.993 6.712 1.00 0.00 H new ATOM 0 HE2 PHE B1114 -1.175 2.622 4.068 1.00 0.00 H new ATOM 0 HZ PHE B1114 -1.893 3.399 6.308 1.00 0.00 H new ATOM 1030 N HIS B1115 -6.657 2.903 -0.638 1.00 0.00 N ATOM 1031 CA HIS B1115 -7.712 2.518 -1.552 1.00 0.00 C ATOM 1032 C HIS B1115 -7.176 1.551 -2.604 1.00 0.00 C ATOM 1033 O HIS B1115 -7.779 0.509 -2.872 1.00 0.00 O ATOM 1034 CB HIS B1115 -8.252 3.771 -2.232 1.00 0.00 C ATOM 1035 CG HIS B1115 -9.494 3.422 -2.980 1.00 0.00 C ATOM 1036 ND1 HIS B1115 -9.489 3.022 -4.304 1.00 0.00 N ATOM 1037 CD2 HIS B1115 -10.795 3.403 -2.581 1.00 0.00 C ATOM 1038 CE1 HIS B1115 -10.766 2.781 -4.655 1.00 0.00 C ATOM 1039 NE2 HIS B1115 -11.606 2.998 -3.637 1.00 0.00 N ATOM 0 H HIS B1115 -6.452 3.902 -0.614 1.00 0.00 H new ATOM 0 HA HIS B1115 -8.508 2.020 -0.999 1.00 0.00 H new ATOM 0 HB2 HIS B1115 -8.464 4.540 -1.490 1.00 0.00 H new ATOM 0 HB3 HIS B1115 -7.506 4.181 -2.912 1.00 0.00 H new ATOM 0 HD2 HIS B1115 -11.145 3.663 -1.593 1.00 0.00 H new ATOM 0 HE1 HIS B1115 -11.074 2.453 -5.637 1.00 0.00 H new ATOM 0 HE2 HIS B1115 -12.620 2.890 -3.635 1.00 0.00 H new ATOM 1047 N ARG B1116 -6.037 1.900 -3.195 1.00 0.00 N ATOM 1048 CA ARG B1116 -5.424 1.053 -4.216 1.00 0.00 C ATOM 1049 C ARG B1116 -4.979 -0.280 -3.623 1.00 0.00 C ATOM 1050 O ARG B1116 -5.174 -1.336 -4.227 1.00 0.00 O ATOM 1051 CB ARG B1116 -4.218 1.771 -4.826 1.00 0.00 C ATOM 1052 CG ARG B1116 -4.688 3.008 -5.598 1.00 0.00 C ATOM 1053 CD ARG B1116 -5.397 2.577 -6.886 1.00 0.00 C ATOM 1054 NE ARG B1116 -5.741 3.744 -7.694 1.00 0.00 N ATOM 1055 CZ ARG B1116 -6.317 3.622 -8.892 1.00 0.00 C ATOM 1056 NH1 ARG B1116 -6.586 2.441 -9.388 1.00 0.00 N ATOM 1057 NH2 ARG B1116 -6.616 4.691 -9.577 1.00 0.00 N ATOM 0 H ARG B1116 -5.522 2.756 -2.988 1.00 0.00 H new ATOM 0 HA ARG B1116 -6.166 0.857 -4.990 1.00 0.00 H new ATOM 0 HB2 ARG B1116 -3.522 2.064 -4.040 1.00 0.00 H new ATOM 0 HB3 ARG B1116 -3.681 1.097 -5.493 1.00 0.00 H new ATOM 0 HG2 ARG B1116 -5.364 3.599 -4.980 1.00 0.00 H new ATOM 0 HG3 ARG B1116 -3.836 3.645 -5.836 1.00 0.00 H new ATOM 0 HD2 ARG B1116 -4.752 1.909 -7.457 1.00 0.00 H new ATOM 0 HD3 ARG B1116 -6.300 2.017 -6.642 1.00 0.00 H new ATOM 0 HE ARG B1116 -5.536 4.676 -7.334 1.00 0.00 H new ATOM 0 HH11 ARG B1116 -6.355 1.601 -8.858 1.00 0.00 H new ATOM 0 HH12 ARG B1116 -7.026 2.361 -10.305 1.00 0.00 H new ATOM 0 HH21 ARG B1116 -6.410 5.615 -9.197 1.00 0.00 H new ATOM 0 HH22 ARG B1116 -7.056 4.603 -10.493 1.00 0.00 H new ATOM 1071 N ARG B1117 -4.386 -0.228 -2.435 1.00 0.00 N ATOM 1072 CA ARG B1117 -3.929 -1.441 -1.777 1.00 0.00 C ATOM 1073 C ARG B1117 -5.103 -2.357 -1.442 1.00 0.00 C ATOM 1074 O ARG B1117 -5.019 -3.572 -1.607 1.00 0.00 O ATOM 1075 CB ARG B1117 -3.152 -1.088 -0.507 1.00 0.00 C ATOM 1076 CG ARG B1117 -1.757 -0.581 -0.882 1.00 0.00 C ATOM 1077 CD ARG B1117 -0.951 -0.356 0.398 1.00 0.00 C ATOM 1078 NE ARG B1117 0.452 -0.089 0.088 1.00 0.00 N ATOM 1079 CZ ARG B1117 1.397 -0.185 1.022 1.00 0.00 C ATOM 1080 NH1 ARG B1117 1.091 -0.496 2.257 1.00 0.00 N ATOM 1081 NH2 ARG B1117 2.640 0.018 0.696 1.00 0.00 N ATOM 0 H ARG B1117 -4.213 0.632 -1.915 1.00 0.00 H new ATOM 0 HA ARG B1117 -3.269 -1.974 -2.461 1.00 0.00 H new ATOM 0 HB2 ARG B1117 -3.687 -0.325 0.059 1.00 0.00 H new ATOM 0 HB3 ARG B1117 -3.071 -1.964 0.137 1.00 0.00 H new ATOM 0 HG2 ARG B1117 -1.253 -1.304 -1.523 1.00 0.00 H new ATOM 0 HG3 ARG B1117 -1.833 0.348 -1.448 1.00 0.00 H new ATOM 0 HD2 ARG B1117 -1.371 0.482 0.955 1.00 0.00 H new ATOM 0 HD3 ARG B1117 -1.026 -1.234 1.039 1.00 0.00 H new ATOM 0 HE ARG B1117 0.713 0.176 -0.862 1.00 0.00 H new ATOM 0 HH11 ARG B1117 0.119 -0.668 2.514 1.00 0.00 H new ATOM 0 HH12 ARG B1117 1.825 -0.566 2.962 1.00 0.00 H new ATOM 0 HH21 ARG B1117 2.884 0.248 -0.267 1.00 0.00 H new ATOM 0 HH22 ARG B1117 3.371 -0.053 1.404 1.00 0.00 H new ATOM 1095 N LEU B1118 -6.199 -1.765 -0.984 1.00 0.00 N ATOM 1096 CA LEU B1118 -7.385 -2.539 -0.640 1.00 0.00 C ATOM 1097 C LEU B1118 -7.959 -3.226 -1.879 1.00 0.00 C ATOM 1098 O LEU B1118 -8.376 -4.384 -1.818 1.00 0.00 O ATOM 1099 CB LEU B1118 -8.437 -1.624 -0.007 1.00 0.00 C ATOM 1100 CG LEU B1118 -7.988 -1.218 1.400 1.00 0.00 C ATOM 1101 CD1 LEU B1118 -8.861 -0.069 1.909 1.00 0.00 C ATOM 1102 CD2 LEU B1118 -8.137 -2.412 2.348 1.00 0.00 C ATOM 0 H LEU B1118 -6.291 -0.759 -0.843 1.00 0.00 H new ATOM 0 HA LEU B1118 -7.103 -3.309 0.078 1.00 0.00 H new ATOM 0 HB2 LEU B1118 -8.580 -0.737 -0.624 1.00 0.00 H new ATOM 0 HB3 LEU B1118 -9.398 -2.137 0.041 1.00 0.00 H new ATOM 0 HG LEU B1118 -6.946 -0.900 1.364 1.00 0.00 H new ATOM 0 HD11 LEU B1118 -8.539 0.217 2.910 1.00 0.00 H new ATOM 0 HD12 LEU B1118 -8.765 0.785 1.239 1.00 0.00 H new ATOM 0 HD13 LEU B1118 -9.902 -0.390 1.941 1.00 0.00 H new ATOM 0 HD21 LEU B1118 -7.818 -2.124 3.349 1.00 0.00 H new ATOM 0 HD22 LEU B1118 -9.180 -2.726 2.376 1.00 0.00 H new ATOM 0 HD23 LEU B1118 -7.519 -3.237 1.994 1.00 0.00 H new ATOM 1114 N LYS B1119 -7.973 -2.513 -3.002 1.00 0.00 N ATOM 1115 CA LYS B1119 -8.489 -3.065 -4.241 1.00 0.00 C ATOM 1116 C LYS B1119 -7.673 -4.277 -4.677 1.00 0.00 C ATOM 1117 O LYS B1119 -8.225 -5.304 -5.070 1.00 0.00 O ATOM 1118 CB LYS B1119 -8.435 -1.999 -5.326 1.00 0.00 C ATOM 1119 CG LYS B1119 -8.996 -2.573 -6.619 1.00 0.00 C ATOM 1120 CD LYS B1119 -8.991 -1.494 -7.694 1.00 0.00 C ATOM 1121 CE LYS B1119 -9.540 -2.097 -8.977 1.00 0.00 C ATOM 1122 NZ LYS B1119 -9.578 -1.060 -10.046 1.00 0.00 N ATOM 0 H LYS B1119 -7.633 -1.554 -3.075 1.00 0.00 H new ATOM 0 HA LYS B1119 -9.519 -3.383 -4.080 1.00 0.00 H new ATOM 0 HB2 LYS B1119 -9.010 -1.124 -5.022 1.00 0.00 H new ATOM 0 HB3 LYS B1119 -7.407 -1.668 -5.477 1.00 0.00 H new ATOM 0 HG2 LYS B1119 -8.398 -3.426 -6.941 1.00 0.00 H new ATOM 0 HG3 LYS B1119 -10.011 -2.937 -6.458 1.00 0.00 H new ATOM 0 HD2 LYS B1119 -9.599 -0.645 -7.383 1.00 0.00 H new ATOM 0 HD3 LYS B1119 -7.979 -1.120 -7.852 1.00 0.00 H new ATOM 0 HE2 LYS B1119 -8.917 -2.934 -9.292 1.00 0.00 H new ATOM 0 HE3 LYS B1119 -10.541 -2.492 -8.805 1.00 0.00 H new ATOM 0 HZ1 LYS B1119 -9.954 -1.477 -10.921 1.00 0.00 H new ATOM 0 HZ2 LYS B1119 -10.190 -0.274 -9.746 1.00 0.00 H new ATOM 0 HZ3 LYS B1119 -8.616 -0.703 -10.218 1.00 0.00 H new ATOM 1136 N VAL B1120 -6.353 -4.147 -4.603 1.00 0.00 N ATOM 1137 CA VAL B1120 -5.463 -5.234 -4.988 1.00 0.00 C ATOM 1138 C VAL B1120 -5.674 -6.428 -4.072 1.00 0.00 C ATOM 1139 O VAL B1120 -5.654 -7.575 -4.513 1.00 0.00 O ATOM 1140 CB VAL B1120 -4.004 -4.778 -4.914 1.00 0.00 C ATOM 1141 CG1 VAL B1120 -3.080 -5.980 -5.127 1.00 0.00 C ATOM 1142 CG2 VAL B1120 -3.742 -3.739 -6.006 1.00 0.00 C ATOM 0 H VAL B1120 -5.878 -3.304 -4.281 1.00 0.00 H new ATOM 0 HA VAL B1120 -5.691 -5.524 -6.014 1.00 0.00 H new ATOM 0 HB VAL B1120 -3.810 -4.339 -3.935 1.00 0.00 H new ATOM 0 HG11 VAL B1120 -2.041 -5.654 -5.074 1.00 0.00 H new ATOM 0 HG12 VAL B1120 -3.267 -6.724 -4.353 1.00 0.00 H new ATOM 0 HG13 VAL B1120 -3.273 -6.419 -6.106 1.00 0.00 H new ATOM 0 HG21 VAL B1120 -2.703 -3.412 -5.956 1.00 0.00 H new ATOM 0 HG22 VAL B1120 -3.936 -4.181 -6.983 1.00 0.00 H new ATOM 0 HG23 VAL B1120 -4.399 -2.882 -5.858 1.00 0.00 H new ATOM 1152 N TYR B1121 -5.862 -6.146 -2.789 1.00 0.00 N ATOM 1153 CA TYR B1121 -6.064 -7.203 -1.809 1.00 0.00 C ATOM 1154 C TYR B1121 -7.295 -8.019 -2.172 1.00 0.00 C ATOM 1155 O TYR B1121 -7.257 -9.251 -2.181 1.00 0.00 O ATOM 1156 CB TYR B1121 -6.233 -6.594 -0.416 1.00 0.00 C ATOM 1157 CG TYR B1121 -6.411 -7.695 0.604 1.00 0.00 C ATOM 1158 CD1 TYR B1121 -5.303 -8.450 1.010 1.00 0.00 C ATOM 1159 CD2 TYR B1121 -7.674 -7.958 1.146 1.00 0.00 C ATOM 1160 CE1 TYR B1121 -5.460 -9.467 1.958 1.00 0.00 C ATOM 1161 CE2 TYR B1121 -7.831 -8.977 2.095 1.00 0.00 C ATOM 1162 CZ TYR B1121 -6.723 -9.731 2.501 1.00 0.00 C ATOM 1163 OH TYR B1121 -6.875 -10.735 3.437 1.00 0.00 O ATOM 0 H TYR B1121 -5.879 -5.201 -2.406 1.00 0.00 H new ATOM 0 HA TYR B1121 -5.193 -7.858 -1.808 1.00 0.00 H new ATOM 0 HB2 TYR B1121 -5.361 -5.990 -0.165 1.00 0.00 H new ATOM 0 HB3 TYR B1121 -7.097 -5.929 -0.402 1.00 0.00 H new ATOM 0 HD1 TYR B1121 -4.328 -8.247 0.592 1.00 0.00 H new ATOM 0 HD2 TYR B1121 -8.528 -7.376 0.833 1.00 0.00 H new ATOM 0 HE1 TYR B1121 -4.606 -10.049 2.271 1.00 0.00 H new ATOM 0 HE2 TYR B1121 -8.806 -9.181 2.513 1.00 0.00 H new ATOM 0 HH TYR B1121 -7.786 -11.093 3.388 1.00 0.00 H new ATOM 1173 N HIS B1122 -8.381 -7.326 -2.479 1.00 0.00 N ATOM 1174 CA HIS B1122 -9.615 -8.000 -2.853 1.00 0.00 C ATOM 1175 C HIS B1122 -9.416 -8.797 -4.138 1.00 0.00 C ATOM 1176 O HIS B1122 -9.873 -9.936 -4.254 1.00 0.00 O ATOM 1177 CB HIS B1122 -10.726 -6.967 -3.050 1.00 0.00 C ATOM 1178 CG HIS B1122 -11.156 -6.430 -1.712 1.00 0.00 C ATOM 1179 ND1 HIS B1122 -11.982 -5.324 -1.591 1.00 0.00 N ATOM 1180 CD2 HIS B1122 -10.886 -6.838 -0.427 1.00 0.00 C ATOM 1181 CE1 HIS B1122 -12.179 -5.106 -0.278 1.00 0.00 C ATOM 1182 NE2 HIS B1122 -11.533 -6.000 0.475 1.00 0.00 N ATOM 0 H HIS B1122 -8.434 -6.307 -2.477 1.00 0.00 H new ATOM 0 HA HIS B1122 -9.897 -8.688 -2.056 1.00 0.00 H new ATOM 0 HB2 HIS B1122 -10.372 -6.154 -3.683 1.00 0.00 H new ATOM 0 HB3 HIS B1122 -11.574 -7.423 -3.560 1.00 0.00 H new ATOM 0 HD2 HIS B1122 -10.266 -7.681 -0.159 1.00 0.00 H new ATOM 0 HE1 HIS B1122 -12.786 -4.305 0.119 1.00 0.00 H new ATOM 0 HE2 HIS B1122 -11.517 -6.056 1.493 1.00 0.00 H new ATOM 1190 N ALA B1123 -8.720 -8.196 -5.101 1.00 0.00 N ATOM 1191 CA ALA B1123 -8.466 -8.871 -6.366 1.00 0.00 C ATOM 1192 C ALA B1123 -7.642 -10.137 -6.148 1.00 0.00 C ATOM 1193 O ALA B1123 -7.921 -11.176 -6.737 1.00 0.00 O ATOM 1194 CB ALA B1123 -7.730 -7.929 -7.319 1.00 0.00 C ATOM 0 H ALA B1123 -8.328 -7.257 -5.030 1.00 0.00 H new ATOM 0 HA ALA B1123 -9.423 -9.154 -6.805 1.00 0.00 H new ATOM 0 HB1 ALA B1123 -7.543 -8.440 -8.263 1.00 0.00 H new ATOM 0 HB2 ALA B1123 -8.341 -7.044 -7.500 1.00 0.00 H new ATOM 0 HB3 ALA B1123 -6.781 -7.630 -6.874 1.00 0.00 H new ATOM 1200 N TRP B1124 -6.636 -10.053 -5.289 1.00 0.00 N ATOM 1201 CA TRP B1124 -5.798 -11.195 -5.007 1.00 0.00 C ATOM 1202 C TRP B1124 -6.629 -12.337 -4.437 1.00 0.00 C ATOM 1203 O TRP B1124 -6.498 -13.488 -4.864 1.00 0.00 O ATOM 1204 CB TRP B1124 -4.709 -10.783 -4.026 1.00 0.00 C ATOM 1205 CG TRP B1124 -3.928 -11.982 -3.636 1.00 0.00 C ATOM 1206 CD1 TRP B1124 -2.997 -12.570 -4.404 1.00 0.00 C ATOM 1207 CD2 TRP B1124 -3.976 -12.726 -2.393 1.00 0.00 C ATOM 1208 NE1 TRP B1124 -2.472 -13.654 -3.718 1.00 0.00 N ATOM 1209 CE2 TRP B1124 -3.047 -13.788 -2.467 1.00 0.00 C ATOM 1210 CE3 TRP B1124 -4.739 -12.585 -1.224 1.00 0.00 C ATOM 1211 CZ2 TRP B1124 -2.876 -14.682 -1.410 1.00 0.00 C ATOM 1212 CZ3 TRP B1124 -4.568 -13.479 -0.157 1.00 0.00 C ATOM 1213 CH2 TRP B1124 -3.641 -14.527 -0.250 1.00 0.00 C ATOM 0 H TRP B1124 -6.386 -9.205 -4.780 1.00 0.00 H new ATOM 0 HA TRP B1124 -5.337 -11.545 -5.931 1.00 0.00 H new ATOM 0 HB2 TRP B1124 -4.055 -10.040 -4.481 1.00 0.00 H new ATOM 0 HB3 TRP B1124 -5.153 -10.320 -3.144 1.00 0.00 H new ATOM 0 HD1 TRP B1124 -2.705 -12.251 -5.394 1.00 0.00 H new ATOM 0 HE1 TRP B1124 -1.752 -14.275 -4.089 1.00 0.00 H new ATOM 0 HE3 TRP B1124 -5.461 -11.785 -1.146 1.00 0.00 H new ATOM 0 HZ2 TRP B1124 -2.159 -15.486 -1.487 1.00 0.00 H new ATOM 0 HZ3 TRP B1124 -5.154 -13.359 0.742 1.00 0.00 H new ATOM 0 HH2 TRP B1124 -3.518 -15.214 0.574 1.00 0.00 H new ATOM 1224 N LYS B1125 -7.499 -12.010 -3.488 1.00 0.00 N ATOM 1225 CA LYS B1125 -8.356 -13.017 -2.877 1.00 0.00 C ATOM 1226 C LYS B1125 -9.201 -13.695 -3.928 1.00 0.00 C ATOM 1227 O LYS B1125 -9.384 -14.902 -3.885 1.00 0.00 O ATOM 1228 CB LYS B1125 -9.265 -12.352 -1.841 1.00 0.00 C ATOM 1229 CG LYS B1125 -8.445 -11.917 -0.624 1.00 0.00 C ATOM 1230 CD LYS B1125 -8.023 -13.158 0.161 1.00 0.00 C ATOM 1231 CE LYS B1125 -7.411 -12.735 1.499 1.00 0.00 C ATOM 1232 NZ LYS B1125 -7.029 -13.946 2.281 1.00 0.00 N ATOM 0 H LYS B1125 -7.628 -11.064 -3.128 1.00 0.00 H new ATOM 0 HA LYS B1125 -7.730 -13.766 -2.391 1.00 0.00 H new ATOM 0 HB2 LYS B1125 -9.761 -11.488 -2.283 1.00 0.00 H new ATOM 0 HB3 LYS B1125 -10.047 -13.046 -1.533 1.00 0.00 H new ATOM 0 HG2 LYS B1125 -7.566 -11.356 -0.943 1.00 0.00 H new ATOM 0 HG3 LYS B1125 -9.034 -11.253 0.009 1.00 0.00 H new ATOM 0 HD2 LYS B1125 -8.885 -13.803 0.331 1.00 0.00 H new ATOM 0 HD3 LYS B1125 -7.300 -13.736 -0.414 1.00 0.00 H new ATOM 0 HE2 LYS B1125 -6.535 -12.109 1.328 1.00 0.00 H new ATOM 0 HE3 LYS B1125 -8.125 -12.136 2.064 1.00 0.00 H new ATOM 0 HZ1 LYS B1125 -6.508 -13.658 3.134 1.00 0.00 H new ATOM 0 HZ2 LYS B1125 -7.887 -14.465 2.558 1.00 0.00 H new ATOM 0 HZ3 LYS B1125 -6.426 -14.560 1.697 1.00 0.00 H new ATOM 1246 N SER B1126 -9.697 -12.927 -4.873 1.00 0.00 N ATOM 1247 CA SER B1126 -10.511 -13.505 -5.933 1.00 0.00 C ATOM 1248 C SER B1126 -9.666 -14.436 -6.801 1.00 0.00 C ATOM 1249 O SER B1126 -10.173 -15.416 -7.341 1.00 0.00 O ATOM 1250 CB SER B1126 -11.129 -12.405 -6.801 1.00 0.00 C ATOM 1251 OG SER B1126 -10.135 -11.856 -7.648 1.00 0.00 O ATOM 0 H SER B1126 -9.558 -11.918 -4.935 1.00 0.00 H new ATOM 0 HA SER B1126 -11.315 -14.079 -5.471 1.00 0.00 H new ATOM 0 HB2 SER B1126 -11.945 -12.813 -7.397 1.00 0.00 H new ATOM 0 HB3 SER B1126 -11.555 -11.625 -6.170 1.00 0.00 H new ATOM 0 HG SER B1126 -9.276 -11.840 -7.177 1.00 0.00 H new ATOM 1382 N GLU A 47 0.727 -17.834 0.287 1.00 0.00 N ATOM 1383 CA GLU A 47 -0.440 -17.030 -0.048 1.00 0.00 C ATOM 1384 C GLU A 47 -0.616 -15.903 0.962 1.00 0.00 C ATOM 1385 O GLU A 47 -0.909 -14.764 0.598 1.00 0.00 O ATOM 1386 CB GLU A 47 -1.689 -17.909 -0.042 1.00 0.00 C ATOM 1387 CG GLU A 47 -1.631 -18.884 -1.219 1.00 0.00 C ATOM 1388 CD GLU A 47 -2.832 -19.824 -1.180 1.00 0.00 C ATOM 1389 OE1 GLU A 47 -3.555 -19.788 -0.197 1.00 0.00 O ATOM 1390 OE2 GLU A 47 -3.011 -20.562 -2.132 1.00 0.00 O ATOM 0 HA GLU A 47 -0.294 -16.601 -1.039 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.755 -18.459 0.897 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.583 -17.290 -0.113 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.622 -18.332 -2.159 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.707 -19.460 -1.179 1.00 0.00 H new ATOM 1397 N ASN A 48 -0.429 -16.228 2.233 1.00 0.00 N ATOM 1398 CA ASN A 48 -0.567 -15.233 3.285 1.00 0.00 C ATOM 1399 C ASN A 48 0.475 -14.138 3.108 1.00 0.00 C ATOM 1400 O ASN A 48 0.191 -12.958 3.310 1.00 0.00 O ATOM 1401 CB ASN A 48 -0.402 -15.886 4.656 1.00 0.00 C ATOM 1402 CG ASN A 48 -1.580 -16.810 4.936 1.00 0.00 C ATOM 1403 OD1 ASN A 48 -1.391 -17.956 5.341 1.00 0.00 O ATOM 1404 ND2 ASN A 48 -2.796 -16.383 4.722 1.00 0.00 N ATOM 0 H ASN A 48 -0.184 -17.163 2.558 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.562 -14.793 3.220 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.530 -16.450 4.690 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.339 -15.119 5.428 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.590 -17.000 4.891 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.951 -15.432 4.386 1.00 0.00 H new ATOM 1411 N ASP A 49 1.682 -14.537 2.726 1.00 0.00 N ATOM 1412 CA ASP A 49 2.757 -13.573 2.523 1.00 0.00 C ATOM 1413 C ASP A 49 2.399 -12.605 1.406 1.00 0.00 C ATOM 1414 O ASP A 49 2.661 -11.406 1.501 1.00 0.00 O ATOM 1415 CB ASP A 49 4.058 -14.297 2.178 1.00 0.00 C ATOM 1416 CG ASP A 49 4.612 -14.996 3.414 1.00 0.00 C ATOM 1417 OD1 ASP A 49 4.132 -14.710 4.499 1.00 0.00 O ATOM 1418 OD2 ASP A 49 5.512 -15.807 3.260 1.00 0.00 O ATOM 0 H ASP A 49 1.940 -15.509 2.552 1.00 0.00 H new ATOM 0 HA ASP A 49 2.894 -13.012 3.447 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.879 -15.026 1.388 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.789 -13.585 1.795 1.00 0.00 H new ATOM 1423 N GLU A 50 1.796 -13.129 0.342 1.00 0.00 N ATOM 1424 CA GLU A 50 1.407 -12.288 -0.785 1.00 0.00 C ATOM 1425 C GLU A 50 0.364 -11.264 -0.348 1.00 0.00 C ATOM 1426 O GLU A 50 0.435 -10.091 -0.718 1.00 0.00 O ATOM 1427 CB GLU A 50 0.833 -13.157 -1.904 1.00 0.00 C ATOM 1428 CG GLU A 50 1.951 -14.006 -2.511 1.00 0.00 C ATOM 1429 CD GLU A 50 1.385 -14.906 -3.604 1.00 0.00 C ATOM 1430 OE1 GLU A 50 0.174 -14.942 -3.748 1.00 0.00 O ATOM 1431 OE2 GLU A 50 2.171 -15.546 -4.282 1.00 0.00 O ATOM 0 H GLU A 50 1.569 -14.118 0.237 1.00 0.00 H new ATOM 0 HA GLU A 50 2.289 -11.761 -1.149 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.045 -13.800 -1.512 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.380 -12.529 -2.671 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.726 -13.360 -2.925 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.421 -14.612 -1.736 1.00 0.00 H new ATOM 1438 N ALA A 51 -0.601 -11.714 0.450 1.00 0.00 N ATOM 1439 CA ALA A 51 -1.648 -10.822 0.934 1.00 0.00 C ATOM 1440 C ALA A 51 -1.053 -9.727 1.810 1.00 0.00 C ATOM 1441 O ALA A 51 -1.455 -8.567 1.729 1.00 0.00 O ATOM 1442 CB ALA A 51 -2.687 -11.611 1.727 1.00 0.00 C ATOM 0 H ALA A 51 -0.679 -12.679 0.771 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.131 -10.360 0.073 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.464 -10.934 2.083 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.134 -12.371 1.086 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.206 -12.092 2.579 1.00 0.00 H new ATOM 1448 N PHE A 52 -0.087 -10.099 2.647 1.00 0.00 N ATOM 1449 CA PHE A 52 0.554 -9.128 3.524 1.00 0.00 C ATOM 1450 C PHE A 52 1.250 -8.046 2.714 1.00 0.00 C ATOM 1451 O PHE A 52 1.139 -6.862 3.021 1.00 0.00 O ATOM 1452 CB PHE A 52 1.575 -9.819 4.429 1.00 0.00 C ATOM 1453 CG PHE A 52 0.929 -10.184 5.743 1.00 0.00 C ATOM 1454 CD1 PHE A 52 0.583 -11.512 6.018 1.00 0.00 C ATOM 1455 CD2 PHE A 52 0.681 -9.185 6.691 1.00 0.00 C ATOM 1456 CE1 PHE A 52 -0.009 -11.839 7.244 1.00 0.00 C ATOM 1457 CE2 PHE A 52 0.089 -9.511 7.915 1.00 0.00 C ATOM 1458 CZ PHE A 52 -0.256 -10.838 8.192 1.00 0.00 C ATOM 0 H PHE A 52 0.264 -11.053 2.735 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.221 -8.668 4.138 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.960 -10.715 3.941 1.00 0.00 H new ATOM 0 HB3 PHE A 52 2.426 -9.160 4.602 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.772 -12.283 5.286 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.947 -8.160 6.477 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.275 -12.863 7.459 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.102 -8.739 8.646 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.713 -11.091 9.137 1.00 0.00 H new ATOM 1468 N ALA A 53 1.962 -8.458 1.673 1.00 0.00 N ATOM 1469 CA ALA A 53 2.672 -7.504 0.826 1.00 0.00 C ATOM 1470 C ALA A 53 1.691 -6.534 0.183 1.00 0.00 C ATOM 1471 O ALA A 53 1.963 -5.339 0.068 1.00 0.00 O ATOM 1472 CB ALA A 53 3.450 -8.247 -0.256 1.00 0.00 C ATOM 0 H ALA A 53 2.064 -9.434 1.396 1.00 0.00 H new ATOM 0 HA ALA A 53 3.369 -6.939 1.445 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.977 -7.528 -0.884 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.171 -8.919 0.210 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.759 -8.826 -0.869 1.00 0.00 H new ATOM 1478 N ILE A 54 0.547 -7.051 -0.235 1.00 0.00 N ATOM 1479 CA ILE A 54 -0.459 -6.215 -0.861 1.00 0.00 C ATOM 1480 C ILE A 54 -0.906 -5.107 0.082 1.00 0.00 C ATOM 1481 O ILE A 54 -1.089 -3.963 -0.334 1.00 0.00 O ATOM 1482 CB ILE A 54 -1.664 -7.066 -1.255 1.00 0.00 C ATOM 1483 CG1 ILE A 54 -1.285 -7.987 -2.417 1.00 0.00 C ATOM 1484 CG2 ILE A 54 -2.811 -6.150 -1.673 1.00 0.00 C ATOM 1485 CD1 ILE A 54 -2.389 -9.022 -2.632 1.00 0.00 C ATOM 0 H ILE A 54 0.295 -8.036 -0.153 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.023 -5.760 -1.750 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.976 -7.674 -0.406 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.139 -7.402 -3.325 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.340 -8.487 -2.205 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.674 -6.753 -1.955 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.079 -5.500 -0.840 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.500 -5.542 -2.522 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.117 -9.677 -3.460 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.513 -9.615 -1.726 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.325 -8.513 -2.864 1.00 0.00 H new ATOM 1497 N LEU A 55 -1.099 -5.450 1.348 1.00 0.00 N ATOM 1498 CA LEU A 55 -1.545 -4.469 2.330 1.00 0.00 C ATOM 1499 C LEU A 55 -0.387 -3.973 3.194 1.00 0.00 C ATOM 1500 O LEU A 55 -0.599 -3.502 4.312 1.00 0.00 O ATOM 1501 CB LEU A 55 -2.631 -5.084 3.217 1.00 0.00 C ATOM 1502 CG LEU A 55 -3.799 -5.560 2.345 1.00 0.00 C ATOM 1503 CD1 LEU A 55 -4.854 -6.242 3.218 1.00 0.00 C ATOM 1504 CD2 LEU A 55 -4.438 -4.364 1.633 1.00 0.00 C ATOM 0 H LEU A 55 -0.956 -6.390 1.718 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.950 -3.612 1.791 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.222 -5.921 3.783 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.981 -4.350 3.942 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.421 -6.267 1.606 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.681 -6.578 2.593 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.409 -7.099 3.723 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.224 -5.535 3.961 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.267 -4.709 1.015 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.808 -3.655 2.374 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.694 -3.876 1.003 1.00 0.00 H new ATOM 1516 N ASP A 56 0.835 -4.073 2.677 1.00 0.00 N ATOM 1517 CA ASP A 56 2.004 -3.615 3.427 1.00 0.00 C ATOM 1518 C ASP A 56 3.031 -3.002 2.487 1.00 0.00 C ATOM 1519 O ASP A 56 3.366 -1.822 2.592 1.00 0.00 O ATOM 1520 CB ASP A 56 2.633 -4.793 4.172 1.00 0.00 C ATOM 1521 CG ASP A 56 3.657 -4.293 5.182 1.00 0.00 C ATOM 1522 OD1 ASP A 56 3.843 -3.090 5.260 1.00 0.00 O ATOM 1523 OD2 ASP A 56 4.243 -5.121 5.861 1.00 0.00 O ATOM 0 H ASP A 56 1.041 -4.461 1.756 1.00 0.00 H new ATOM 0 HA ASP A 56 1.685 -2.858 4.143 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.858 -5.365 4.682 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.112 -5.467 3.462 1.00 0.00 H new ATOM 1528 N GLY A 57 3.524 -3.811 1.565 1.00 0.00 N ATOM 1529 CA GLY A 57 4.510 -3.341 0.601 1.00 0.00 C ATOM 1530 C GLY A 57 3.840 -2.771 -0.649 1.00 0.00 C ATOM 1531 O GLY A 57 4.516 -2.277 -1.550 1.00 0.00 O ATOM 0 H GLY A 57 3.261 -4.791 1.462 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.135 -2.576 1.061 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.168 -4.164 0.320 1.00 0.00 H new ATOM 1535 N GLY A 58 2.510 -2.848 -0.709 1.00 0.00 N ATOM 1536 CA GLY A 58 1.782 -2.339 -1.866 1.00 0.00 C ATOM 1537 C GLY A 58 2.022 -3.224 -3.086 1.00 0.00 C ATOM 1538 O GLY A 58 1.846 -2.788 -4.224 1.00 0.00 O ATOM 0 H GLY A 58 1.924 -3.253 0.021 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.716 -2.300 -1.643 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.100 -1.319 -2.082 1.00 0.00 H new ATOM 1542 N ALA A 59 2.434 -4.465 -2.841 1.00 0.00 N ATOM 1543 CA ALA A 59 2.706 -5.396 -3.929 1.00 0.00 C ATOM 1544 C ALA A 59 1.411 -5.873 -4.577 1.00 0.00 C ATOM 1545 O ALA A 59 0.346 -5.804 -3.972 1.00 0.00 O ATOM 1546 CB ALA A 59 3.472 -6.605 -3.398 1.00 0.00 C ATOM 0 H ALA A 59 2.585 -4.846 -1.907 1.00 0.00 H new ATOM 0 HA ALA A 59 3.303 -4.875 -4.677 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.672 -7.297 -4.216 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.415 -6.275 -2.962 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.876 -7.107 -2.636 1.00 0.00 H new ATOM 1552 N PRO A 60 1.482 -6.356 -5.788 1.00 0.00 N ATOM 1553 CA PRO A 60 0.284 -6.861 -6.513 1.00 0.00 C ATOM 1554 C PRO A 60 -0.234 -8.175 -5.930 1.00 0.00 C ATOM 1555 O PRO A 60 -1.383 -8.554 -6.157 1.00 0.00 O ATOM 1556 CB PRO A 60 0.780 -7.048 -7.949 1.00 0.00 C ATOM 1557 CG PRO A 60 2.251 -7.269 -7.827 1.00 0.00 C ATOM 1558 CD PRO A 60 2.705 -6.476 -6.603 1.00 0.00 C ATOM 0 HA PRO A 60 -0.559 -6.175 -6.439 1.00 0.00 H new ATOM 0 HB2 PRO A 60 0.292 -7.897 -8.427 1.00 0.00 H new ATOM 0 HB3 PRO A 60 0.562 -6.171 -8.559 1.00 0.00 H new ATOM 0 HG2 PRO A 60 2.476 -8.329 -7.709 1.00 0.00 H new ATOM 0 HG3 PRO A 60 2.770 -6.931 -8.724 1.00 0.00 H new ATOM 0 HD2 PRO A 60 3.497 -6.994 -6.062 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.097 -5.498 -6.883 1.00 0.00 H new ATOM 1566 N GLY A 61 0.620 -8.865 -5.181 1.00 0.00 N ATOM 1567 CA GLY A 61 0.235 -10.134 -4.574 1.00 0.00 C ATOM 1568 C GLY A 61 1.130 -11.265 -5.068 1.00 0.00 C ATOM 1569 O GLY A 61 0.784 -11.873 -6.067 1.00 0.00 O ATOM 1570 OXT GLY A 61 2.149 -11.504 -4.441 1.00 0.00 O ATOM 0 H GLY A 61 1.576 -8.570 -4.981 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.303 -10.058 -3.489 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.805 -10.356 -4.814 1.00 0.00 H new