USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 395 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: A 14 CYS SG : rot 167:sc= 0.502! USER MOD Set 1.2: A 23 CYS SG : rot 95:sc= -0.121! USER MOD Set 1.3: A 36 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 16 HIS : no HD1:sc= -1.22 X(o=-4,f=-4.4!) USER MOD Set 2.2: A 26 CYS SG : rot -153:sc= -2.8! USER MOD Set 3.1: A 17 SER OG : rot 180:sc= 0.038 USER MOD Set 3.2: A 33 ASN : amide:sc= 0.0389 X(o=0.077,f=0) USER MOD Set 4.1: A 7 THR OG1 : rot -10:sc= 1.11 USER MOD Set 4.2: A 8 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 1 GLY N :NH3+ 160:sc= -0.215 (180deg=-0.979) USER MOD Set 5.2: A 9 MET CE :methyl -129:sc= -0.0465 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0435 USER MOD Single : A 5 MET CE :methyl -163:sc= -0.087 (180deg=-0.515) USER MOD Single : A 11 GLN : amide:sc= 0.0248 K(o=0.025,f=-0.93) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 179:sc= 0.0508 (180deg=0.0377) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0.168 K(o=0.17,f=-2) USER MOD Single : A 31 TYR OH : rot 74:sc= 0.396 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.009 -45.580 -24.893 1.00100.00 N ATOM 2 CA GLY A 1 -26.648 -44.777 -23.837 1.00100.00 C ATOM 3 C GLY A 1 -27.781 -44.029 -24.444 1.00100.00 C ATOM 4 O GLY A 1 -27.594 -43.268 -25.394 1.00100.00 O ATOM 0 H1 GLY A 1 -25.045 -45.837 -24.599 1.00100.00 H new ATOM 0 H2 GLY A 1 -26.563 -46.445 -25.055 1.00100.00 H new ATOM 0 H3 GLY A 1 -25.967 -45.026 -25.772 1.00100.00 H new ATOM 0 HA2 GLY A 1 -27.005 -45.421 -23.033 1.00100.00 H new ATOM 0 HA3 GLY A 1 -25.929 -44.086 -23.397 1.00100.00 H new ATOM 10 N SER A 2 -29.002 -44.447 -24.045 1.00100.00 N ATOM 11 CA SER A 2 -30.244 -43.861 -24.491 1.00100.00 C ATOM 12 C SER A 2 -30.315 -42.419 -24.062 1.00100.00 C ATOM 13 O SER A 2 -30.701 -41.551 -24.845 1.00100.00 O ATOM 14 CB SER A 2 -31.463 -44.645 -23.956 1.00100.00 C ATOM 15 OG SER A 2 -31.455 -44.654 -22.545 1.00100.00 O ATOM 0 H SER A 2 -29.133 -45.218 -23.390 1.00100.00 H new ATOM 0 HA SER A 2 -30.272 -43.912 -25.579 1.00100.00 H new ATOM 0 HB2 SER A 2 -32.385 -44.190 -24.319 1.00100.00 H new ATOM 0 HB3 SER A 2 -31.442 -45.667 -24.334 1.00100.00 H new ATOM 0 HG SER A 2 -32.233 -45.152 -22.217 1.00100.00 H new ATOM 21 N THR A 3 -29.920 -42.155 -22.795 1.00100.00 N ATOM 22 CA THR A 3 -29.885 -40.840 -22.219 1.00100.00 C ATOM 23 C THR A 3 -28.586 -40.176 -22.626 1.00100.00 C ATOM 24 O THR A 3 -27.679 -40.831 -23.153 1.00100.00 O ATOM 25 CB THR A 3 -30.103 -40.853 -20.708 1.00100.00 C ATOM 26 OG1 THR A 3 -30.242 -39.534 -20.228 1.00100.00 O ATOM 27 CG2 THR A 3 -28.920 -41.522 -20.009 1.00100.00 C ATOM 0 H THR A 3 -29.615 -42.884 -22.151 1.00100.00 H new ATOM 0 HA THR A 3 -30.719 -40.253 -22.605 1.00100.00 H new ATOM 0 HB THR A 3 -31.012 -41.415 -20.495 1.00100.00 H new ATOM 0 HG1 THR A 3 -30.383 -39.552 -19.258 1.00100.00 H new ATOM 0 HG21 THR A 3 -29.088 -41.525 -18.932 1.00100.00 H new ATOM 0 HG22 THR A 3 -28.821 -42.548 -20.363 1.00100.00 H new ATOM 0 HG23 THR A 3 -28.006 -40.971 -20.232 1.00100.00 H new ATOM 35 N ALA A 4 -28.484 -38.843 -22.405 1.00100.00 N ATOM 36 CA ALA A 4 -27.291 -38.129 -22.762 1.00100.00 C ATOM 37 C ALA A 4 -26.316 -38.314 -21.647 1.00100.00 C ATOM 38 O ALA A 4 -26.533 -37.873 -20.514 1.00100.00 O ATOM 39 CB ALA A 4 -27.501 -36.618 -22.984 1.00100.00 C ATOM 0 H ALA A 4 -29.217 -38.270 -21.986 1.00100.00 H new ATOM 0 HA ALA A 4 -26.940 -38.530 -23.713 1.00100.00 H new ATOM 0 HB1 ALA A 4 -26.551 -36.154 -23.250 1.00100.00 H new ATOM 0 HB2 ALA A 4 -28.218 -36.465 -23.790 1.00100.00 H new ATOM 0 HB3 ALA A 4 -27.882 -36.165 -22.069 1.00100.00 H new ATOM 45 N MET A 5 -25.213 -39.016 -21.976 1.00100.00 N ATOM 46 CA MET A 5 -24.168 -39.290 -21.038 1.00100.00 C ATOM 47 C MET A 5 -23.113 -38.322 -21.457 1.00100.00 C ATOM 48 O MET A 5 -22.540 -38.456 -22.540 1.00100.00 O ATOM 49 CB MET A 5 -23.586 -40.717 -21.179 1.00100.00 C ATOM 50 CG MET A 5 -24.663 -41.764 -20.896 1.00100.00 C ATOM 51 SD MET A 5 -25.401 -41.656 -19.245 1.00100.00 S ATOM 52 CE MET A 5 -23.916 -41.902 -18.237 1.00100.00 C ATOM 0 H MET A 5 -25.046 -39.398 -22.907 1.00100.00 H new ATOM 0 HA MET A 5 -24.521 -39.208 -20.010 1.00100.00 H new ATOM 0 HB2 MET A 5 -23.190 -40.857 -22.185 1.00100.00 H new ATOM 0 HB3 MET A 5 -22.754 -40.847 -20.487 1.00100.00 H new ATOM 0 HG2 MET A 5 -25.453 -41.664 -21.640 1.00100.00 H new ATOM 0 HG3 MET A 5 -24.229 -42.756 -21.022 1.00100.00 H new ATOM 0 HE1 MET A 5 -24.206 -42.166 -17.220 1.00100.00 H new ATOM 0 HE2 MET A 5 -23.316 -42.706 -18.664 1.00100.00 H new ATOM 0 HE3 MET A 5 -23.331 -40.982 -18.220 1.00100.00 H new ATOM 62 N ALA A 6 -22.918 -37.267 -20.627 1.00100.00 N ATOM 63 CA ALA A 6 -21.972 -36.196 -20.847 1.00100.00 C ATOM 64 C ALA A 6 -22.121 -35.580 -22.218 1.00100.00 C ATOM 65 O ALA A 6 -21.147 -35.392 -22.953 1.00100.00 O ATOM 66 CB ALA A 6 -20.494 -36.553 -20.549 1.00100.00 C ATOM 0 H ALA A 6 -23.445 -37.155 -19.761 1.00100.00 H new ATOM 0 HA ALA A 6 -22.239 -35.449 -20.100 1.00100.00 H new ATOM 0 HB1 ALA A 6 -19.864 -35.685 -20.744 1.00100.00 H new ATOM 0 HB2 ALA A 6 -20.394 -36.846 -19.504 1.00100.00 H new ATOM 0 HB3 ALA A 6 -20.183 -37.379 -21.189 1.00100.00 H new ATOM 72 N THR A 7 -23.396 -35.297 -22.583 1.00100.00 N ATOM 73 CA THR A 7 -23.860 -34.708 -23.819 1.00100.00 C ATOM 74 C THR A 7 -23.779 -35.592 -25.031 1.00100.00 C ATOM 75 O THR A 7 -24.806 -35.788 -25.684 1.00100.00 O ATOM 76 CB THR A 7 -23.373 -33.297 -24.154 1.00100.00 C ATOM 77 OG1 THR A 7 -21.989 -33.297 -24.427 1.00100.00 O ATOM 78 CG2 THR A 7 -23.658 -32.356 -22.985 1.00100.00 C ATOM 0 H THR A 7 -24.173 -35.500 -21.954 1.00100.00 H new ATOM 0 HA THR A 7 -24.913 -34.596 -23.560 1.00100.00 H new ATOM 0 HB THR A 7 -23.907 -32.954 -25.040 1.00100.00 H new ATOM 0 HG1 THR A 7 -21.608 -34.167 -24.186 1.00100.00 H new ATOM 0 HG21 THR A 7 -23.308 -31.353 -23.231 1.00100.00 H new ATOM 0 HG22 THR A 7 -24.731 -32.329 -22.793 1.00100.00 H new ATOM 0 HG23 THR A 7 -23.139 -32.713 -22.096 1.00100.00 H new ATOM 86 N THR A 8 -22.591 -36.169 -25.344 1.00100.00 N ATOM 87 CA THR A 8 -22.461 -36.995 -26.520 1.00100.00 C ATOM 88 C THR A 8 -22.098 -38.404 -26.115 1.00100.00 C ATOM 89 O THR A 8 -21.306 -38.628 -25.198 1.00100.00 O ATOM 90 CB THR A 8 -21.433 -36.446 -27.485 1.00100.00 C ATOM 91 OG1 THR A 8 -21.770 -35.112 -27.803 1.00100.00 O ATOM 92 CG2 THR A 8 -21.414 -37.267 -28.773 1.00100.00 C ATOM 0 H THR A 8 -21.737 -36.067 -24.795 1.00100.00 H new ATOM 0 HA THR A 8 -23.421 -36.998 -27.036 1.00100.00 H new ATOM 0 HB THR A 8 -20.450 -36.494 -27.017 1.00100.00 H new ATOM 0 HG1 THR A 8 -21.108 -34.747 -28.427 1.00100.00 H new ATOM 0 HG21 THR A 8 -20.669 -36.857 -29.455 1.00100.00 H new ATOM 0 HG22 THR A 8 -21.163 -38.302 -28.541 1.00100.00 H new ATOM 0 HG23 THR A 8 -22.396 -37.228 -29.244 1.00100.00 H new ATOM 100 N MET A 9 -22.710 -39.380 -26.824 1.00100.00 N ATOM 101 CA MET A 9 -22.531 -40.793 -26.612 1.00100.00 C ATOM 102 C MET A 9 -21.627 -41.433 -27.646 1.00100.00 C ATOM 103 O MET A 9 -21.232 -40.801 -28.628 1.00100.00 O ATOM 104 CB MET A 9 -23.902 -41.528 -26.550 1.00100.00 C ATOM 105 CG MET A 9 -23.772 -42.956 -26.021 1.00100.00 C ATOM 106 SD MET A 9 -23.101 -43.060 -24.343 1.00100.00 S ATOM 107 CE MET A 9 -22.642 -44.810 -24.338 1.00100.00 C ATOM 0 H MET A 9 -23.361 -39.174 -27.582 1.00100.00 H new ATOM 0 HA MET A 9 -22.033 -40.899 -25.648 1.00100.00 H new ATOM 0 HB2 MET A 9 -24.584 -40.967 -25.911 1.00100.00 H new ATOM 0 HB3 MET A 9 -24.345 -41.551 -27.546 1.00100.00 H new ATOM 0 HG2 MET A 9 -24.753 -43.430 -26.039 1.00100.00 H new ATOM 0 HG3 MET A 9 -23.131 -43.525 -26.694 1.00100.00 H new ATOM 0 HE1 MET A 9 -23.057 -45.292 -23.453 1.00100.00 H new ATOM 0 HE2 MET A 9 -23.036 -45.292 -25.233 1.00100.00 H new ATOM 0 HE3 MET A 9 -21.556 -44.901 -24.326 1.00100.00 H new ATOM 117 N GLU A 10 -21.016 -42.564 -27.205 1.00100.00 N ATOM 118 CA GLU A 10 -20.105 -43.459 -27.890 1.00100.00 C ATOM 119 C GLU A 10 -18.692 -42.991 -28.016 1.00100.00 C ATOM 120 O GLU A 10 -17.829 -43.753 -28.456 1.00100.00 O ATOM 121 CB GLU A 10 -20.604 -43.962 -29.269 1.00100.00 C ATOM 122 CG GLU A 10 -21.966 -44.640 -29.127 1.00100.00 C ATOM 123 CD GLU A 10 -22.435 -45.186 -30.468 1.00100.00 C ATOM 124 OE1 GLU A 10 -23.004 -44.384 -31.238 1.00100.00 O ATOM 125 OE2 GLU A 10 -22.215 -46.394 -30.698 1.00100.00 O ATOM 0 H GLU A 10 -21.183 -42.888 -26.252 1.00100.00 H new ATOM 0 HA GLU A 10 -20.099 -44.299 -27.196 1.00100.00 H new ATOM 0 HB2 GLU A 10 -20.678 -43.125 -29.964 1.00100.00 H new ATOM 0 HB3 GLU A 10 -19.884 -44.663 -29.690 1.00100.00 H new ATOM 0 HG2 GLU A 10 -21.901 -45.450 -28.401 1.00100.00 H new ATOM 0 HG3 GLU A 10 -22.695 -43.926 -28.744 1.00100.00 H new ATOM 132 N GLN A 11 -18.414 -41.748 -27.579 1.00100.00 N ATOM 133 CA GLN A 11 -17.087 -41.221 -27.618 1.00100.00 C ATOM 134 C GLN A 11 -16.377 -41.371 -26.285 1.00100.00 C ATOM 135 O GLN A 11 -15.247 -40.921 -26.133 1.00100.00 O ATOM 136 CB GLN A 11 -17.039 -39.852 -28.340 1.00100.00 C ATOM 137 CG GLN A 11 -17.916 -38.781 -27.704 1.00100.00 C ATOM 138 CD GLN A 11 -17.855 -37.508 -28.542 1.00100.00 C ATOM 139 OE1 GLN A 11 -18.354 -37.486 -29.664 1.00100.00 O ATOM 140 NE2 GLN A 11 -17.233 -36.454 -28.009 1.00100.00 N ATOM 0 H GLN A 11 -19.111 -41.108 -27.198 1.00100.00 H new ATOM 0 HA GLN A 11 -16.455 -41.832 -28.263 1.00100.00 H new ATOM 0 HB2 GLN A 11 -16.008 -39.499 -28.357 1.00100.00 H new ATOM 0 HB3 GLN A 11 -17.346 -39.989 -29.377 1.00100.00 H new ATOM 0 HG2 GLN A 11 -18.945 -39.133 -27.634 1.00100.00 H new ATOM 0 HG3 GLN A 11 -17.579 -38.576 -26.688 1.00100.00 H new ATOM 0 HE21 GLN A 11 -16.833 -36.518 -27.073 1.00100.00 H new ATOM 0 HE22 GLN A 11 -17.158 -35.585 -28.538 1.00100.00 H new ATOM 149 N GLU A 12 -17.040 -42.042 -25.299 1.00100.00 N ATOM 150 CA GLU A 12 -16.586 -42.378 -23.957 1.00100.00 C ATOM 151 C GLU A 12 -16.382 -41.227 -23.010 1.00100.00 C ATOM 152 O GLU A 12 -16.498 -40.087 -23.438 1.00100.00 O ATOM 153 CB GLU A 12 -15.477 -43.440 -23.889 1.00100.00 C ATOM 154 CG GLU A 12 -15.949 -44.755 -24.503 1.00100.00 C ATOM 155 CD GLU A 12 -14.927 -45.869 -24.305 1.00100.00 C ATOM 156 OE1 GLU A 12 -13.869 -45.586 -23.702 1.00100.00 O ATOM 157 OE2 GLU A 12 -15.228 -46.995 -24.758 1.00100.00 O ATOM 0 H GLU A 12 -17.988 -42.383 -25.459 1.00100.00 H new ATOM 0 HA GLU A 12 -17.470 -42.872 -23.555 1.00100.00 H new ATOM 0 HB2 GLU A 12 -14.593 -43.083 -24.417 1.00100.00 H new ATOM 0 HB3 GLU A 12 -15.185 -43.602 -22.851 1.00100.00 H new ATOM 0 HG2 GLU A 12 -16.898 -45.047 -24.052 1.00100.00 H new ATOM 0 HG3 GLU A 12 -16.132 -44.614 -25.568 1.00100.00 H new ATOM 164 N ILE A 13 -16.159 -41.472 -21.679 1.00100.00 N ATOM 165 CA ILE A 13 -15.990 -40.373 -20.736 1.00100.00 C ATOM 166 C ILE A 13 -14.947 -40.745 -19.686 1.00100.00 C ATOM 167 O ILE A 13 -15.074 -41.801 -19.060 1.00100.00 O ATOM 168 CB ILE A 13 -17.266 -40.158 -19.902 1.00100.00 C ATOM 169 CG1 ILE A 13 -18.469 -39.918 -20.823 1.00100.00 C ATOM 170 CG2 ILE A 13 -17.070 -38.947 -18.981 1.00100.00 C ATOM 171 CD1 ILE A 13 -19.786 -39.902 -20.045 1.00100.00 C ATOM 0 H ILE A 13 -16.097 -42.403 -21.267 1.00100.00 H new ATOM 0 HA ILE A 13 -15.724 -39.499 -21.330 1.00100.00 H new ATOM 0 HB ILE A 13 -17.456 -41.049 -19.303 1.00100.00 H new ATOM 0 HG12 ILE A 13 -18.344 -38.969 -21.345 1.00100.00 H new ATOM 0 HG13 ILE A 13 -18.506 -40.698 -21.584 1.00100.00 H new ATOM 0 HG21 ILE A 13 -17.971 -38.791 -18.388 1.00100.00 H new ATOM 0 HG22 ILE A 13 -16.225 -39.128 -18.316 1.00100.00 H new ATOM 0 HG23 ILE A 13 -16.874 -38.060 -19.583 1.00100.00 H new ATOM 0 HD11 ILE A 13 -20.613 -39.729 -20.733 1.00100.00 H new ATOM 0 HD12 ILE A 13 -19.925 -40.860 -19.544 1.00100.00 H new ATOM 0 HD13 ILE A 13 -19.760 -39.105 -19.302 1.00100.00 H new ATOM 183 N CYS A 14 -13.902 -39.894 -19.466 1.00100.00 N ATOM 184 CA CYS A 14 -12.899 -40.116 -18.436 1.00100.00 C ATOM 185 C CYS A 14 -12.811 -38.859 -17.570 1.00100.00 C ATOM 186 O CYS A 14 -13.808 -38.501 -16.942 1.00100.00 O ATOM 187 CB CYS A 14 -11.505 -40.573 -18.919 1.00100.00 C ATOM 188 SG CYS A 14 -10.414 -40.740 -17.478 1.00100.00 S ATOM 0 H CYS A 14 -13.751 -39.043 -20.008 1.00100.00 H new ATOM 0 HA CYS A 14 -13.242 -40.976 -17.860 1.00100.00 H new ATOM 0 HB2 CYS A 14 -11.581 -41.523 -19.447 1.00100.00 H new ATOM 0 HB3 CYS A 14 -11.093 -39.850 -19.623 1.00100.00 H new ATOM 0 HG CYS A 14 -9.337 -41.382 -17.821 1.00100.00 H new ATOM 194 N ALA A 15 -11.641 -38.144 -17.529 1.00100.00 N ATOM 195 CA ALA A 15 -11.438 -36.944 -16.758 1.00100.00 C ATOM 196 C ALA A 15 -11.623 -35.638 -17.507 1.00100.00 C ATOM 197 O ALA A 15 -12.615 -34.973 -17.223 1.00100.00 O ATOM 198 CB ALA A 15 -10.057 -36.907 -16.086 1.00100.00 C ATOM 0 H ALA A 15 -10.813 -38.422 -18.056 1.00100.00 H new ATOM 0 HA ALA A 15 -12.235 -37.009 -16.017 1.00100.00 H new ATOM 0 HB1 ALA A 15 -9.954 -35.983 -15.517 1.00100.00 H new ATOM 0 HB2 ALA A 15 -9.956 -37.760 -15.414 1.00100.00 H new ATOM 0 HB3 ALA A 15 -9.280 -36.952 -16.849 1.00100.00 H new ATOM 204 N HIS A 16 -10.728 -35.198 -18.457 1.00100.00 N ATOM 205 CA HIS A 16 -10.985 -33.941 -19.156 1.00100.00 C ATOM 206 C HIS A 16 -10.688 -33.715 -20.630 1.00100.00 C ATOM 207 O HIS A 16 -9.595 -33.316 -21.026 1.00100.00 O ATOM 208 CB HIS A 16 -10.560 -32.649 -18.394 1.00100.00 C ATOM 209 CG HIS A 16 -9.097 -32.526 -18.078 1.00100.00 C ATOM 210 ND1 HIS A 16 -8.485 -32.953 -16.922 1.00100.00 N ATOM 211 CD2 HIS A 16 -8.167 -31.843 -18.815 1.00100.00 C ATOM 212 CE1 HIS A 16 -7.207 -32.533 -16.972 1.00100.00 C ATOM 213 NE2 HIS A 16 -6.965 -31.853 -18.104 1.00100.00 N ATOM 0 H HIS A 16 -9.873 -35.684 -18.728 1.00100.00 H new ATOM 0 HA HIS A 16 -12.057 -34.136 -19.152 1.00100.00 H new ATOM 0 HB2 HIS A 16 -10.858 -31.785 -18.988 1.00100.00 H new ATOM 0 HB3 HIS A 16 -11.119 -32.601 -17.460 1.00100.00 H new ATOM 0 HD2 HIS A 16 -8.333 -31.379 -19.776 1.00100.00 H new ATOM 0 HE1 HIS A 16 -6.473 -32.719 -16.202 1.00100.00 H new ATOM 0 HE2 HIS A 16 -6.082 -31.429 -18.388 1.00100.00 H new ATOM 221 N SER A 17 -11.712 -33.943 -21.477 1.00100.00 N ATOM 222 CA SER A 17 -11.726 -33.738 -22.905 1.00100.00 C ATOM 223 C SER A 17 -10.651 -34.280 -23.831 1.00100.00 C ATOM 224 O SER A 17 -10.093 -33.514 -24.624 1.00100.00 O ATOM 225 CB SER A 17 -12.030 -32.244 -23.195 1.00100.00 C ATOM 226 OG SER A 17 -13.272 -31.890 -22.628 1.00100.00 O ATOM 0 H SER A 17 -12.605 -34.300 -21.138 1.00100.00 H new ATOM 0 HA SER A 17 -12.511 -34.436 -23.196 1.00100.00 H new ATOM 0 HB2 SER A 17 -11.240 -31.616 -22.783 1.00100.00 H new ATOM 0 HB3 SER A 17 -12.048 -32.069 -24.271 1.00100.00 H new ATOM 0 HG SER A 17 -13.458 -30.946 -22.812 1.00100.00 H new ATOM 232 N MET A 18 -10.318 -35.601 -23.769 1.00100.00 N ATOM 233 CA MET A 18 -9.308 -36.130 -24.669 1.00100.00 C ATOM 234 C MET A 18 -9.546 -37.365 -25.500 1.00100.00 C ATOM 235 O MET A 18 -10.337 -37.293 -26.430 1.00100.00 O ATOM 236 CB MET A 18 -7.844 -36.128 -24.168 1.00100.00 C ATOM 237 CG MET A 18 -7.115 -34.806 -24.412 1.00100.00 C ATOM 238 SD MET A 18 -7.546 -33.432 -23.319 1.00100.00 S ATOM 239 CE MET A 18 -6.482 -32.161 -24.046 1.00100.00 C ATOM 0 H MET A 18 -10.728 -36.278 -23.125 1.00100.00 H new ATOM 0 HA MET A 18 -9.475 -35.315 -25.373 1.00100.00 H new ATOM 0 HB2 MET A 18 -7.834 -36.347 -23.100 1.00100.00 H new ATOM 0 HB3 MET A 18 -7.298 -36.931 -24.663 1.00100.00 H new ATOM 0 HG2 MET A 18 -6.044 -34.987 -24.326 1.00100.00 H new ATOM 0 HG3 MET A 18 -7.305 -34.497 -25.440 1.00100.00 H new ATOM 0 HE1 MET A 18 -6.608 -31.226 -23.501 1.00100.00 H new ATOM 0 HE2 MET A 18 -5.441 -32.479 -23.985 1.00100.00 H new ATOM 0 HE3 MET A 18 -6.755 -32.012 -25.091 1.00100.00 H new ATOM 249 N THR A 19 -8.808 -38.487 -25.271 1.00100.00 N ATOM 250 CA THR A 19 -8.906 -39.689 -26.069 1.00100.00 C ATOM 251 C THR A 19 -8.799 -40.906 -25.184 1.00100.00 C ATOM 252 O THR A 19 -8.345 -40.826 -24.042 1.00100.00 O ATOM 253 CB THR A 19 -7.777 -39.744 -27.114 1.00100.00 C ATOM 254 OG1 THR A 19 -7.716 -38.502 -27.778 1.00100.00 O ATOM 255 CG2 THR A 19 -7.975 -40.837 -28.163 1.00100.00 C ATOM 0 H THR A 19 -8.129 -38.558 -24.513 1.00100.00 H new ATOM 0 HA THR A 19 -9.870 -39.677 -26.577 1.00100.00 H new ATOM 0 HB THR A 19 -6.856 -39.970 -26.576 1.00100.00 H new ATOM 0 HG1 THR A 19 -6.999 -38.523 -28.446 1.00100.00 H new ATOM 0 HG21 THR A 19 -7.144 -40.820 -28.868 1.00100.00 H new ATOM 0 HG22 THR A 19 -8.014 -41.809 -27.672 1.00100.00 H new ATOM 0 HG23 THR A 19 -8.908 -40.663 -28.698 1.00100.00 H new ATOM 263 N PHE A 20 -9.210 -42.086 -25.707 1.00100.00 N ATOM 264 CA PHE A 20 -9.173 -43.356 -25.019 1.00100.00 C ATOM 265 C PHE A 20 -7.749 -43.677 -24.620 1.00100.00 C ATOM 266 O PHE A 20 -7.494 -44.054 -23.476 1.00100.00 O ATOM 267 CB PHE A 20 -9.689 -44.460 -25.985 1.00100.00 C ATOM 268 CG PHE A 20 -9.667 -45.852 -25.396 1.00100.00 C ATOM 269 CD1 PHE A 20 -8.529 -46.657 -25.539 1.00100.00 C ATOM 270 CD2 PHE A 20 -10.787 -46.341 -24.714 1.00100.00 C ATOM 271 CE1 PHE A 20 -8.515 -47.951 -25.002 1.00100.00 C ATOM 272 CE2 PHE A 20 -10.776 -47.634 -24.178 1.00100.00 C ATOM 273 CZ PHE A 20 -9.641 -48.440 -24.323 1.00100.00 C ATOM 0 H PHE A 20 -9.585 -42.160 -26.652 1.00100.00 H new ATOM 0 HA PHE A 20 -9.798 -43.310 -24.127 1.00100.00 H new ATOM 0 HB2 PHE A 20 -10.709 -44.219 -26.284 1.00100.00 H new ATOM 0 HB3 PHE A 20 -9.081 -44.450 -26.890 1.00100.00 H new ATOM 0 HD1 PHE A 20 -7.663 -46.280 -26.063 1.00100.00 H new ATOM 0 HD2 PHE A 20 -11.662 -45.719 -24.601 1.00100.00 H new ATOM 0 HE1 PHE A 20 -7.638 -48.572 -25.111 1.00100.00 H new ATOM 0 HE2 PHE A 20 -11.642 -48.009 -23.653 1.00100.00 H new ATOM 0 HZ PHE A 20 -9.632 -49.439 -23.912 1.00100.00 H new ATOM 283 N GLU A 21 -6.797 -43.502 -25.563 1.00100.00 N ATOM 284 CA GLU A 21 -5.394 -43.740 -25.351 1.00100.00 C ATOM 285 C GLU A 21 -4.847 -42.778 -24.339 1.00100.00 C ATOM 286 O GLU A 21 -4.014 -43.137 -23.508 1.00100.00 O ATOM 287 CB GLU A 21 -4.573 -43.602 -26.643 1.00100.00 C ATOM 288 CG GLU A 21 -5.088 -44.575 -27.702 1.00100.00 C ATOM 289 CD GLU A 21 -4.284 -44.448 -28.987 1.00100.00 C ATOM 290 OE1 GLU A 21 -4.420 -43.390 -29.639 1.00100.00 O ATOM 291 OE2 GLU A 21 -3.545 -45.409 -29.295 1.00100.00 O ATOM 0 H GLU A 21 -7.012 -43.183 -26.508 1.00100.00 H new ATOM 0 HA GLU A 21 -5.307 -44.766 -24.993 1.00100.00 H new ATOM 0 HB2 GLU A 21 -4.637 -42.580 -27.016 1.00100.00 H new ATOM 0 HB3 GLU A 21 -3.521 -43.801 -26.437 1.00100.00 H new ATOM 0 HG2 GLU A 21 -5.023 -45.596 -27.326 1.00100.00 H new ATOM 0 HG3 GLU A 21 -6.140 -44.376 -27.905 1.00100.00 H new ATOM 298 N GLU A 22 -5.319 -41.518 -24.421 1.00100.00 N ATOM 299 CA GLU A 22 -4.945 -40.433 -23.561 1.00100.00 C ATOM 300 C GLU A 22 -5.495 -40.538 -22.167 1.00100.00 C ATOM 301 O GLU A 22 -4.923 -39.936 -21.258 1.00100.00 O ATOM 302 CB GLU A 22 -5.367 -39.077 -24.159 1.00100.00 C ATOM 303 CG GLU A 22 -4.670 -38.806 -25.490 1.00100.00 C ATOM 304 CD GLU A 22 -3.179 -38.589 -25.286 1.00100.00 C ATOM 305 OE1 GLU A 22 -2.842 -37.606 -24.591 1.00100.00 O ATOM 306 OE2 GLU A 22 -2.405 -39.406 -25.830 1.00100.00 O ATOM 0 H GLU A 22 -6.000 -41.241 -25.128 1.00100.00 H new ATOM 0 HA GLU A 22 -3.859 -40.498 -23.489 1.00100.00 H new ATOM 0 HB2 GLU A 22 -6.447 -39.064 -24.304 1.00100.00 H new ATOM 0 HB3 GLU A 22 -5.130 -38.279 -23.455 1.00100.00 H new ATOM 0 HG2 GLU A 22 -4.830 -39.645 -26.167 1.00100.00 H new ATOM 0 HG3 GLU A 22 -5.108 -37.927 -25.963 1.00100.00 H new ATOM 313 N CYS A 23 -6.530 -41.389 -21.931 1.00100.00 N ATOM 314 CA CYS A 23 -7.183 -41.513 -20.647 1.00100.00 C ATOM 315 C CYS A 23 -6.280 -41.799 -19.470 1.00100.00 C ATOM 316 O CYS A 23 -6.491 -41.119 -18.466 1.00100.00 O ATOM 317 CB CYS A 23 -8.264 -42.594 -20.660 1.00100.00 C ATOM 318 SG CYS A 23 -8.915 -42.955 -19.014 1.00100.00 S ATOM 0 H CYS A 23 -6.920 -42.002 -22.647 1.00100.00 H new ATOM 0 HA CYS A 23 -7.603 -40.518 -20.503 1.00100.00 H new ATOM 0 HB2 CYS A 23 -9.081 -42.276 -21.307 1.00100.00 H new ATOM 0 HB3 CYS A 23 -7.853 -43.507 -21.091 1.00100.00 H new ATOM 0 HG CYS A 23 -9.988 -42.251 -18.808 1.00100.00 H new ATOM 324 N PRO A 24 -5.272 -42.736 -19.487 1.00100.00 N ATOM 325 CA PRO A 24 -4.413 -42.935 -18.341 1.00100.00 C ATOM 326 C PRO A 24 -3.624 -41.702 -17.980 1.00100.00 C ATOM 327 O PRO A 24 -3.300 -41.561 -16.799 1.00100.00 O ATOM 328 CB PRO A 24 -3.534 -44.148 -18.653 1.00100.00 C ATOM 329 CG PRO A 24 -3.538 -44.167 -20.184 1.00100.00 C ATOM 330 CD PRO A 24 -4.927 -43.644 -20.553 1.00100.00 C ATOM 0 HA PRO A 24 -5.007 -43.127 -17.448 1.00100.00 H new ATOM 0 HB2 PRO A 24 -2.527 -44.035 -18.250 1.00100.00 H new ATOM 0 HB3 PRO A 24 -3.944 -45.067 -18.234 1.00100.00 H new ATOM 0 HG2 PRO A 24 -2.751 -43.534 -20.594 1.00100.00 H new ATOM 0 HG3 PRO A 24 -3.373 -45.172 -20.572 1.00100.00 H new ATOM 0 HD2 PRO A 24 -4.915 -43.136 -21.517 1.00100.00 H new ATOM 0 HD3 PRO A 24 -5.649 -44.457 -20.630 1.00100.00 H new ATOM 338 N LYS A 25 -3.295 -40.827 -18.975 1.00100.00 N ATOM 339 CA LYS A 25 -2.571 -39.604 -18.730 1.00100.00 C ATOM 340 C LYS A 25 -3.380 -38.721 -17.848 1.00100.00 C ATOM 341 O LYS A 25 -2.833 -38.176 -16.883 1.00100.00 O ATOM 342 CB LYS A 25 -2.218 -38.773 -19.975 1.00100.00 C ATOM 343 CG LYS A 25 -1.365 -39.614 -20.921 1.00100.00 C ATOM 344 CD LYS A 25 -0.917 -38.755 -22.100 1.00100.00 C ATOM 345 CE LYS A 25 -0.075 -39.583 -23.067 1.00100.00 C ATOM 346 NZ LYS A 25 -0.855 -40.689 -23.643 1.00100.00 N ATOM 0 H LYS A 25 -3.536 -40.975 -19.955 1.00100.00 H new ATOM 0 HA LYS A 25 -1.632 -39.933 -18.285 1.00100.00 H new ATOM 0 HB2 LYS A 25 -3.128 -38.449 -20.479 1.00100.00 H new ATOM 0 HB3 LYS A 25 -1.677 -37.873 -19.683 1.00100.00 H new ATOM 0 HG2 LYS A 25 -0.496 -40.007 -20.393 1.00100.00 H new ATOM 0 HG3 LYS A 25 -1.936 -40.471 -21.278 1.00100.00 H new ATOM 0 HD2 LYS A 25 -1.788 -38.353 -22.618 1.00100.00 H new ATOM 0 HD3 LYS A 25 -0.339 -37.904 -21.740 1.00100.00 H new ATOM 0 HE2 LYS A 25 0.298 -38.943 -23.867 1.00100.00 H new ATOM 0 HE3 LYS A 25 0.795 -39.982 -22.545 1.00100.00 H new ATOM 0 HZ1 LYS A 25 -0.261 -41.223 -24.309 1.00100.00 H new ATOM 0 HZ2 LYS A 25 -1.176 -41.321 -22.882 1.00100.00 H new ATOM 0 HZ3 LYS A 25 -1.681 -40.306 -24.146 1.00100.00 H new ATOM 360 N CYS A 26 -4.697 -38.584 -18.152 1.00100.00 N ATOM 361 CA CYS A 26 -5.471 -37.776 -17.278 1.00100.00 C ATOM 362 C CYS A 26 -6.560 -38.465 -16.568 1.00100.00 C ATOM 363 O CYS A 26 -7.629 -38.786 -17.085 1.00100.00 O ATOM 364 CB CYS A 26 -5.891 -36.391 -17.748 1.00100.00 C ATOM 365 SG CYS A 26 -6.935 -35.611 -16.498 1.00100.00 S ATOM 0 H CYS A 26 -5.184 -39.003 -18.944 1.00100.00 H new ATOM 0 HA CYS A 26 -4.691 -37.565 -16.546 1.00100.00 H new ATOM 0 HB2 CYS A 26 -5.010 -35.777 -17.933 1.00100.00 H new ATOM 0 HB3 CYS A 26 -6.432 -36.466 -18.692 1.00100.00 H new ATOM 0 HG CYS A 26 -7.728 -34.753 -17.069 1.00100.00 H new ATOM 371 N SER A 27 -6.170 -38.716 -15.319 1.00100.00 N ATOM 372 CA SER A 27 -6.890 -39.256 -14.211 1.00100.00 C ATOM 373 C SER A 27 -6.514 -38.207 -13.159 1.00100.00 C ATOM 374 O SER A 27 -6.468 -38.481 -11.959 1.00100.00 O ATOM 375 CB SER A 27 -6.337 -40.640 -13.803 1.00100.00 C ATOM 376 OG SER A 27 -6.492 -41.541 -14.878 1.00100.00 O ATOM 0 H SER A 27 -5.209 -38.510 -15.046 1.00100.00 H new ATOM 0 HA SER A 27 -7.955 -39.417 -14.379 1.00100.00 H new ATOM 0 HB2 SER A 27 -5.285 -40.558 -13.531 1.00100.00 H new ATOM 0 HB3 SER A 27 -6.865 -41.010 -12.924 1.00100.00 H new ATOM 0 HG SER A 27 -6.140 -42.419 -14.622 1.00100.00 H new ATOM 382 N ALA A 28 -6.260 -36.953 -13.632 1.00100.00 N ATOM 383 CA ALA A 28 -5.830 -35.803 -12.914 1.00100.00 C ATOM 384 C ALA A 28 -6.893 -35.216 -12.058 1.00100.00 C ATOM 385 O ALA A 28 -8.077 -35.519 -12.191 1.00100.00 O ATOM 386 CB ALA A 28 -5.255 -34.703 -13.830 1.00100.00 C ATOM 0 H ALA A 28 -6.374 -36.744 -14.624 1.00100.00 H new ATOM 0 HA ALA A 28 -5.033 -36.173 -12.269 1.00100.00 H new ATOM 0 HB1 ALA A 28 -4.944 -33.851 -13.225 1.00100.00 H new ATOM 0 HB2 ALA A 28 -4.395 -35.095 -14.374 1.00100.00 H new ATOM 0 HB3 ALA A 28 -6.019 -34.384 -14.540 1.00100.00 H new ATOM 392 N LEU A 29 -6.437 -34.294 -11.190 1.00100.00 N ATOM 393 CA LEU A 29 -7.198 -33.602 -10.202 1.00100.00 C ATOM 394 C LEU A 29 -8.353 -32.836 -10.759 1.00100.00 C ATOM 395 O LEU A 29 -9.396 -32.804 -10.102 1.00100.00 O ATOM 396 CB LEU A 29 -6.335 -32.578 -9.438 1.00100.00 C ATOM 397 CG LEU A 29 -5.129 -33.245 -8.769 1.00100.00 C ATOM 398 CD1 LEU A 29 -4.292 -32.172 -8.075 1.00100.00 C ATOM 399 CD2 LEU A 29 -5.578 -34.276 -7.733 1.00100.00 C ATOM 0 H LEU A 29 -5.457 -34.013 -11.182 1.00100.00 H new ATOM 0 HA LEU A 29 -7.564 -34.394 -9.549 1.00100.00 H new ATOM 0 HB2 LEU A 29 -5.990 -31.807 -10.126 1.00100.00 H new ATOM 0 HB3 LEU A 29 -6.943 -32.081 -8.682 1.00100.00 H new ATOM 0 HG LEU A 29 -4.543 -33.755 -9.534 1.00100.00 H new ATOM 0 HD11 LEU A 29 -3.430 -32.636 -7.595 1.00100.00 H new ATOM 0 HD12 LEU A 29 -3.949 -31.445 -8.811 1.00100.00 H new ATOM 0 HD13 LEU A 29 -4.898 -31.668 -7.322 1.00100.00 H new ATOM 0 HD21 LEU A 29 -4.703 -34.735 -7.273 1.00100.00 H new ATOM 0 HD22 LEU A 29 -6.175 -33.784 -6.965 1.00100.00 H new ATOM 0 HD23 LEU A 29 -6.176 -35.045 -8.221 1.00100.00 H new ATOM 411 N GLN A 30 -8.230 -32.225 -11.963 1.00100.00 N ATOM 412 CA GLN A 30 -9.307 -31.439 -12.512 1.00100.00 C ATOM 413 C GLN A 30 -10.601 -32.164 -12.805 1.00100.00 C ATOM 414 O GLN A 30 -11.638 -31.705 -12.326 1.00100.00 O ATOM 415 CB GLN A 30 -8.867 -30.668 -13.777 1.00100.00 C ATOM 416 CG GLN A 30 -7.648 -29.800 -13.468 1.00100.00 C ATOM 417 CD GLN A 30 -7.235 -28.970 -14.679 1.00100.00 C ATOM 418 OE1 GLN A 30 -7.595 -29.287 -15.810 1.00100.00 O ATOM 419 NE2 GLN A 30 -6.475 -27.900 -14.435 1.00100.00 N ATOM 0 H GLN A 30 -7.397 -32.274 -12.549 1.00100.00 H new ATOM 0 HA GLN A 30 -9.535 -30.757 -11.693 1.00100.00 H new ATOM 0 HB2 GLN A 30 -8.629 -31.371 -14.576 1.00100.00 H new ATOM 0 HB3 GLN A 30 -9.686 -30.044 -14.135 1.00100.00 H new ATOM 0 HG2 GLN A 30 -7.873 -29.139 -12.631 1.00100.00 H new ATOM 0 HG3 GLN A 30 -6.817 -30.434 -13.159 1.00100.00 H new ATOM 0 HE21 GLN A 30 -6.201 -27.677 -13.478 1.00100.00 H new ATOM 0 HE22 GLN A 30 -6.168 -27.306 -15.205 1.00100.00 H new ATOM 428 N TYR A 31 -10.574 -33.321 -13.530 1.00100.00 N ATOM 429 CA TYR A 31 -11.755 -34.106 -13.890 1.00100.00 C ATOM 430 C TYR A 31 -12.862 -33.258 -14.517 1.00100.00 C ATOM 431 O TYR A 31 -14.046 -33.467 -14.242 1.00100.00 O ATOM 432 CB TYR A 31 -12.407 -34.943 -12.740 1.00100.00 C ATOM 433 CG TYR A 31 -11.484 -35.972 -12.133 1.00100.00 C ATOM 434 CD1 TYR A 31 -11.222 -37.164 -12.823 1.00100.00 C ATOM 435 CD2 TYR A 31 -10.918 -35.750 -10.871 1.00100.00 C ATOM 436 CE1 TYR A 31 -10.394 -38.140 -12.253 1.00100.00 C ATOM 437 CE2 TYR A 31 -10.091 -36.722 -10.290 1.00100.00 C ATOM 438 CZ TYR A 31 -9.828 -37.923 -10.980 1.00100.00 C ATOM 439 OH TYR A 31 -9.030 -38.875 -10.414 1.00100.00 O ATOM 0 H TYR A 31 -9.706 -33.727 -13.879 1.00100.00 H new ATOM 0 HA TYR A 31 -11.334 -34.808 -14.610 1.00100.00 H new ATOM 0 HB2 TYR A 31 -12.744 -34.265 -11.956 1.00100.00 H new ATOM 0 HB3 TYR A 31 -13.292 -35.447 -13.128 1.00100.00 H new ATOM 0 HD1 TYR A 31 -11.660 -37.330 -13.796 1.00100.00 H new ATOM 0 HD2 TYR A 31 -11.119 -34.829 -10.345 1.00100.00 H new ATOM 0 HE1 TYR A 31 -10.190 -39.056 -12.787 1.00100.00 H new ATOM 0 HE2 TYR A 31 -9.657 -36.551 -9.316 1.00100.00 H new ATOM 0 HH TYR A 31 -8.156 -38.876 -10.858 1.00100.00 H new ATOM 449 N ARG A 32 -12.505 -32.302 -15.410 1.00100.00 N ATOM 450 CA ARG A 32 -13.471 -31.384 -15.986 1.00100.00 C ATOM 451 C ARG A 32 -14.598 -31.941 -16.825 1.00100.00 C ATOM 452 O ARG A 32 -15.751 -31.590 -16.568 1.00100.00 O ATOM 453 CB ARG A 32 -12.803 -30.293 -16.845 1.00100.00 C ATOM 454 CG ARG A 32 -11.747 -29.544 -16.039 1.00100.00 C ATOM 455 CD ARG A 32 -11.157 -28.420 -16.887 1.00100.00 C ATOM 456 NE ARG A 32 -10.141 -27.675 -16.141 1.00100.00 N ATOM 457 CZ ARG A 32 -10.427 -26.745 -15.217 1.00100.00 C ATOM 458 NH1 ARG A 32 -11.699 -26.448 -14.918 1.00100.00 N ATOM 459 NH2 ARG A 32 -9.430 -26.108 -14.588 1.00100.00 N ATOM 0 H ARG A 32 -11.549 -32.161 -15.736 1.00100.00 H new ATOM 0 HA ARG A 32 -13.924 -31.009 -15.068 1.00100.00 H new ATOM 0 HB2 ARG A 32 -12.344 -30.746 -17.724 1.00100.00 H new ATOM 0 HB3 ARG A 32 -13.558 -29.593 -17.204 1.00100.00 H new ATOM 0 HG2 ARG A 32 -12.191 -29.134 -15.132 1.00100.00 H new ATOM 0 HG3 ARG A 32 -10.959 -30.230 -15.727 1.00100.00 H new ATOM 0 HD2 ARG A 32 -10.715 -28.837 -17.792 1.00100.00 H new ATOM 0 HD3 ARG A 32 -11.951 -27.743 -17.202 1.00100.00 H new ATOM 0 HE ARG A 32 -9.160 -27.874 -16.335 1.00100.00 H new ATOM 0 HH11 ARG A 32 -12.461 -26.931 -15.394 1.00100.00 H new ATOM 0 HH12 ARG A 32 -11.905 -25.739 -14.214 1.00100.00 H new ATOM 0 HH21 ARG A 32 -8.460 -26.331 -14.813 1.00100.00 H new ATOM 0 HH22 ARG A 32 -9.641 -25.400 -13.885 1.00100.00 H new ATOM 473 N ASN A 33 -14.318 -32.824 -17.820 1.00100.00 N ATOM 474 CA ASN A 33 -15.362 -33.380 -18.663 1.00100.00 C ATOM 475 C ASN A 33 -15.187 -34.862 -18.824 1.00100.00 C ATOM 476 O ASN A 33 -15.880 -35.642 -18.168 1.00100.00 O ATOM 477 CB ASN A 33 -15.490 -32.747 -20.077 1.00100.00 C ATOM 478 CG ASN A 33 -15.810 -31.264 -19.970 1.00100.00 C ATOM 479 OD1 ASN A 33 -16.888 -30.893 -19.509 1.00100.00 O ATOM 480 ND2 ASN A 33 -14.871 -30.413 -20.388 1.00100.00 N ATOM 0 H ASN A 33 -13.378 -33.152 -18.042 1.00100.00 H new ATOM 0 HA ASN A 33 -16.282 -33.139 -18.130 1.00100.00 H new ATOM 0 HB2 ASN A 33 -14.561 -32.886 -20.629 1.00100.00 H new ATOM 0 HB3 ASN A 33 -16.274 -33.254 -20.639 1.00100.00 H new ATOM 0 HD21 ASN A 33 -15.033 -29.407 -20.332 1.00100.00 H new ATOM 0 HD22 ASN A 33 -13.992 -30.768 -20.763 1.00100.00 H new ATOM 487 N GLY A 34 -14.261 -35.280 -19.723 1.00100.00 N ATOM 488 CA GLY A 34 -13.983 -36.667 -19.957 1.00100.00 C ATOM 489 C GLY A 34 -12.751 -36.769 -20.798 1.00100.00 C ATOM 490 O GLY A 34 -12.762 -36.377 -21.959 1.00100.00 O ATOM 0 H GLY A 34 -13.702 -34.644 -20.291 1.00100.00 H new ATOM 0 HA2 GLY A 34 -13.840 -37.189 -19.011 1.00100.00 H new ATOM 0 HA3 GLY A 34 -14.825 -37.142 -20.460 1.00100.00 H new ATOM 494 N PHE A 35 -11.678 -37.402 -20.277 1.00100.00 N ATOM 495 CA PHE A 35 -10.414 -37.532 -20.951 1.00100.00 C ATOM 496 C PHE A 35 -10.515 -38.566 -22.040 1.00100.00 C ATOM 497 O PHE A 35 -9.563 -38.707 -22.793 1.00100.00 O ATOM 498 CB PHE A 35 -9.236 -37.830 -19.998 1.00100.00 C ATOM 499 CG PHE A 35 -7.995 -37.071 -20.409 1.00100.00 C ATOM 500 CD1 PHE A 35 -7.959 -35.678 -20.275 1.00100.00 C ATOM 501 CD2 PHE A 35 -6.880 -37.744 -20.920 1.00100.00 C ATOM 502 CE1 PHE A 35 -6.820 -34.954 -20.646 1.00100.00 C ATOM 503 CE2 PHE A 35 -5.729 -37.024 -21.274 1.00100.00 C ATOM 504 CZ PHE A 35 -5.701 -35.630 -21.147 1.00100.00 C ATOM 0 H PHE A 35 -11.690 -37.839 -19.355 1.00100.00 H new ATOM 0 HA PHE A 35 -10.189 -36.563 -21.396 1.00100.00 H new ATOM 0 HB2 PHE A 35 -9.511 -37.558 -18.979 1.00100.00 H new ATOM 0 HB3 PHE A 35 -9.027 -38.900 -19.997 1.00100.00 H new ATOM 0 HD1 PHE A 35 -8.819 -35.157 -19.881 1.00100.00 H new ATOM 0 HD2 PHE A 35 -6.905 -38.817 -21.042 1.00100.00 H new ATOM 0 HE1 PHE A 35 -6.804 -33.879 -20.546 1.00100.00 H new ATOM 0 HE2 PHE A 35 -4.861 -37.547 -21.646 1.00100.00 H new ATOM 0 HZ PHE A 35 -4.819 -35.078 -21.435 1.00100.00 H new ATOM 514 N TYR A 36 -11.614 -39.365 -22.100 1.00100.00 N ATOM 515 CA TYR A 36 -11.816 -40.290 -23.187 1.00100.00 C ATOM 516 C TYR A 36 -12.800 -39.620 -24.134 1.00100.00 C ATOM 517 O TYR A 36 -12.819 -39.958 -25.316 1.00100.00 O ATOM 518 CB TYR A 36 -12.632 -41.595 -22.939 1.00100.00 C ATOM 519 CG TYR A 36 -12.159 -42.740 -22.070 1.00100.00 C ATOM 520 CD1 TYR A 36 -11.493 -43.833 -22.629 1.00100.00 C ATOM 521 CD2 TYR A 36 -12.616 -42.851 -20.758 1.00100.00 C ATOM 522 CE1 TYR A 36 -11.088 -44.914 -21.834 1.00100.00 C ATOM 523 CE2 TYR A 36 -12.258 -43.934 -19.947 1.00100.00 C ATOM 524 CZ TYR A 36 -11.452 -44.959 -20.475 1.00100.00 C ATOM 525 OH TYR A 36 -11.078 -46.011 -19.694 1.00100.00 O ATOM 0 H TYR A 36 -12.356 -39.368 -21.400 1.00100.00 H new ATOM 0 HA TYR A 36 -10.793 -40.533 -23.475 1.00100.00 H new ATOM 0 HB2 TYR A 36 -13.592 -41.280 -22.530 1.00100.00 H new ATOM 0 HB3 TYR A 36 -12.829 -42.021 -23.923 1.00100.00 H new ATOM 0 HD1 TYR A 36 -11.287 -43.845 -23.689 1.00100.00 H new ATOM 0 HD2 TYR A 36 -13.262 -42.083 -20.358 1.00100.00 H new ATOM 0 HE1 TYR A 36 -10.498 -45.710 -22.263 1.00100.00 H new ATOM 0 HE2 TYR A 36 -12.598 -43.982 -18.923 1.00100.00 H new ATOM 0 HH TYR A 36 -11.414 -45.878 -18.783 1.00100.00 H new ATOM 535 N LEU A 37 -13.543 -38.580 -23.658 1.00100.00 N ATOM 536 CA LEU A 37 -14.628 -37.949 -24.360 1.00100.00 C ATOM 537 C LEU A 37 -14.426 -37.321 -25.682 1.00100.00 C ATOM 538 O LEU A 37 -15.224 -37.637 -26.559 1.00100.00 O ATOM 539 CB LEU A 37 -15.378 -36.935 -23.440 1.00100.00 C ATOM 540 CG LEU A 37 -16.647 -36.320 -24.035 1.00100.00 C ATOM 541 CD1 LEU A 37 -17.772 -37.349 -24.140 1.00100.00 C ATOM 542 CD2 LEU A 37 -17.105 -35.191 -23.112 1.00100.00 C ATOM 0 H LEU A 37 -13.373 -38.166 -22.741 1.00100.00 H new ATOM 0 HA LEU A 37 -15.203 -38.839 -24.616 1.00100.00 H new ATOM 0 HB2 LEU A 37 -15.641 -37.440 -22.511 1.00100.00 H new ATOM 0 HB3 LEU A 37 -14.691 -36.129 -23.181 1.00100.00 H new ATOM 0 HG LEU A 37 -16.423 -35.955 -25.037 1.00100.00 H new ATOM 0 HD11 LEU A 37 -18.658 -36.878 -24.566 1.00100.00 H new ATOM 0 HD12 LEU A 37 -17.454 -38.171 -24.781 1.00100.00 H new ATOM 0 HD13 LEU A 37 -18.008 -37.733 -23.147 1.00100.00 H new ATOM 0 HD21 LEU A 37 -18.010 -34.736 -23.515 1.00100.00 H new ATOM 0 HD22 LEU A 37 -17.312 -35.593 -22.120 1.00100.00 H new ATOM 0 HD23 LEU A 37 -16.320 -34.438 -23.041 1.00100.00 H new ATOM 554 N LEU A 38 -13.384 -36.498 -25.909 1.00100.00 N ATOM 555 CA LEU A 38 -13.254 -35.853 -27.197 1.00100.00 C ATOM 556 C LEU A 38 -13.100 -36.828 -28.349 1.00100.00 C ATOM 557 O LEU A 38 -13.783 -36.675 -29.365 1.00100.00 O ATOM 558 CB LEU A 38 -12.105 -34.820 -27.209 1.00100.00 C ATOM 559 CG LEU A 38 -12.003 -34.064 -28.535 1.00100.00 C ATOM 560 CD1 LEU A 38 -13.253 -33.221 -28.787 1.00100.00 C ATOM 561 CD2 LEU A 38 -10.783 -33.147 -28.471 1.00100.00 C ATOM 0 H LEU A 38 -12.652 -36.279 -25.233 1.00100.00 H new ATOM 0 HA LEU A 38 -14.197 -35.328 -27.351 1.00100.00 H new ATOM 0 HB2 LEU A 38 -12.256 -34.106 -26.399 1.00100.00 H new ATOM 0 HB3 LEU A 38 -11.162 -35.330 -27.013 1.00100.00 H new ATOM 0 HG LEU A 38 -11.909 -34.783 -29.349 1.00100.00 H new ATOM 0 HD11 LEU A 38 -13.152 -32.695 -29.736 1.00100.00 H new ATOM 0 HD12 LEU A 38 -14.128 -33.870 -28.823 1.00100.00 H new ATOM 0 HD13 LEU A 38 -13.371 -32.496 -27.982 1.00100.00 H new ATOM 0 HD21 LEU A 38 -10.691 -32.598 -29.408 1.00100.00 H new ATOM 0 HD22 LEU A 38 -10.900 -32.443 -27.647 1.00100.00 H new ATOM 0 HD23 LEU A 38 -9.886 -33.745 -28.312 1.00100.00 H new ATOM 573 N LYS A 39 -12.245 -37.865 -28.198 1.00100.00 N ATOM 574 CA LYS A 39 -12.040 -38.810 -29.259 1.00100.00 C ATOM 575 C LYS A 39 -12.010 -40.230 -28.804 1.00100.00 C ATOM 576 O LYS A 39 -11.295 -40.598 -27.873 1.00100.00 O ATOM 577 CB LYS A 39 -10.680 -38.689 -29.983 1.00100.00 C ATOM 578 CG LYS A 39 -10.541 -37.346 -30.691 1.00100.00 C ATOM 579 CD LYS A 39 -9.204 -37.325 -31.427 1.00100.00 C ATOM 580 CE LYS A 39 -9.046 -36.005 -32.175 1.00100.00 C ATOM 581 NZ LYS A 39 -7.774 -35.969 -32.913 1.00100.00 N ATOM 0 H LYS A 39 -11.703 -38.046 -27.353 1.00100.00 H new ATOM 0 HA LYS A 39 -12.886 -38.569 -29.902 1.00100.00 H new ATOM 0 HB2 LYS A 39 -9.871 -38.807 -29.262 1.00100.00 H new ATOM 0 HB3 LYS A 39 -10.580 -39.496 -30.709 1.00100.00 H new ATOM 0 HG2 LYS A 39 -11.362 -37.200 -31.393 1.00100.00 H new ATOM 0 HG3 LYS A 39 -10.590 -36.530 -29.970 1.00100.00 H new ATOM 0 HD2 LYS A 39 -8.386 -37.452 -30.718 1.00100.00 H new ATOM 0 HD3 LYS A 39 -9.151 -38.159 -32.127 1.00100.00 H new ATOM 0 HE2 LYS A 39 -9.877 -35.873 -32.868 1.00100.00 H new ATOM 0 HE3 LYS A 39 -9.085 -35.175 -31.469 1.00100.00 H new ATOM 0 HZ1 LYS A 39 -7.689 -35.062 -33.414 1.00100.00 H new ATOM 0 HZ2 LYS A 39 -6.983 -36.072 -32.246 1.00100.00 H new ATOM 0 HZ3 LYS A 39 -7.750 -36.748 -33.602 1.00100.00 H new ATOM 595 N TYR A 40 -12.811 -41.066 -29.483 1.00100.00 N ATOM 596 CA TYR A 40 -12.822 -42.487 -29.264 1.00100.00 C ATOM 597 C TYR A 40 -12.317 -43.103 -30.566 1.00100.00 C ATOM 598 O TYR A 40 -12.096 -44.315 -30.645 1.00100.00 O ATOM 599 CB TYR A 40 -14.214 -43.059 -28.862 1.00100.00 C ATOM 600 CG TYR A 40 -14.202 -44.542 -28.565 1.00100.00 C ATOM 601 CD1 TYR A 40 -13.311 -45.058 -27.614 1.00100.00 C ATOM 602 CD2 TYR A 40 -15.082 -45.402 -29.238 1.00100.00 C ATOM 603 CE1 TYR A 40 -13.273 -46.433 -27.356 1.00100.00 C ATOM 604 CE2 TYR A 40 -15.048 -46.781 -28.992 1.00100.00 C ATOM 605 CZ TYR A 40 -14.135 -47.304 -28.054 1.00100.00 C ATOM 606 OH TYR A 40 -14.096 -48.646 -27.814 1.00100.00 O ATOM 0 H TYR A 40 -13.466 -40.755 -30.200 1.00100.00 H new ATOM 0 HA TYR A 40 -12.189 -42.735 -28.412 1.00100.00 H new ATOM 0 HB2 TYR A 40 -14.576 -42.525 -27.983 1.00100.00 H new ATOM 0 HB3 TYR A 40 -14.922 -42.865 -29.667 1.00100.00 H new ATOM 0 HD1 TYR A 40 -12.651 -44.392 -27.078 1.00100.00 H new ATOM 0 HD2 TYR A 40 -15.789 -45.000 -29.949 1.00100.00 H new ATOM 0 HE1 TYR A 40 -12.584 -46.827 -26.623 1.00100.00 H new ATOM 0 HE2 TYR A 40 -15.720 -47.442 -29.520 1.00100.00 H new ATOM 0 HH TYR A 40 -14.756 -49.099 -28.379 1.00100.00 H new ATOM 616 N ASP A 41 -12.043 -42.255 -31.605 1.00100.00 N ATOM 617 CA ASP A 41 -11.603 -42.638 -32.932 1.00100.00 C ATOM 618 C ASP A 41 -12.618 -43.588 -33.529 1.00100.00 C ATOM 619 O ASP A 41 -12.294 -44.579 -34.190 1.00100.00 O ATOM 620 CB ASP A 41 -10.172 -43.246 -32.978 1.00100.00 C ATOM 621 CG ASP A 41 -9.161 -42.281 -32.367 1.00100.00 C ATOM 622 OD1 ASP A 41 -9.139 -41.114 -32.819 1.00100.00 O ATOM 623 OD2 ASP A 41 -8.433 -42.724 -31.453 1.00100.00 O ATOM 0 H ASP A 41 -12.136 -41.244 -31.507 1.00100.00 H new ATOM 0 HA ASP A 41 -11.537 -41.726 -33.526 1.00100.00 H new ATOM 0 HB2 ASP A 41 -10.155 -44.191 -32.436 1.00100.00 H new ATOM 0 HB3 ASP A 41 -9.897 -43.465 -34.010 1.00100.00 H new ATOM 628 N GLU A 42 -13.906 -43.260 -33.289 1.00100.00 N ATOM 629 CA GLU A 42 -15.034 -44.015 -33.734 1.00100.00 C ATOM 630 C GLU A 42 -15.500 -43.417 -35.023 1.00100.00 C ATOM 631 O GLU A 42 -15.436 -42.200 -35.223 1.00100.00 O ATOM 632 CB GLU A 42 -16.182 -43.963 -32.696 1.00100.00 C ATOM 633 CG GLU A 42 -17.340 -44.906 -33.022 1.00100.00 C ATOM 634 CD GLU A 42 -16.957 -46.376 -32.890 1.00100.00 C ATOM 635 OE1 GLU A 42 -15.874 -46.646 -32.326 1.00100.00 O ATOM 636 OE2 GLU A 42 -17.770 -47.209 -33.346 1.00100.00 O ATOM 0 H GLU A 42 -14.168 -42.429 -32.759 1.00100.00 H new ATOM 0 HA GLU A 42 -14.748 -45.059 -33.864 1.00100.00 H new ATOM 0 HB2 GLU A 42 -15.784 -44.215 -31.713 1.00100.00 H new ATOM 0 HB3 GLU A 42 -16.561 -42.943 -32.635 1.00100.00 H new ATOM 0 HG2 GLU A 42 -18.176 -44.692 -32.356 1.00100.00 H new ATOM 0 HG3 GLU A 42 -17.684 -44.714 -34.038 1.00100.00 H new ATOM 706 N PRO A 46 -22.054 -43.777 -40.406 1.00100.00 N ATOM 707 CA PRO A 46 -21.849 -44.655 -41.532 1.00100.00 C ATOM 708 C PRO A 46 -23.205 -45.032 -42.079 1.00100.00 C ATOM 709 O PRO A 46 -23.709 -46.117 -41.782 1.00100.00 O ATOM 710 CB PRO A 46 -21.017 -45.808 -40.973 1.00100.00 C ATOM 711 CG PRO A 46 -21.554 -45.925 -39.546 1.00100.00 C ATOM 712 CD PRO A 46 -21.803 -44.467 -39.157 1.00100.00 C ATOM 0 HA PRO A 46 -21.313 -44.227 -42.380 1.00100.00 H new ATOM 0 HB2 PRO A 46 -21.161 -46.728 -41.540 1.00100.00 H new ATOM 0 HB3 PRO A 46 -19.950 -45.587 -40.990 1.00100.00 H new ATOM 0 HG2 PRO A 46 -22.469 -46.516 -39.505 1.00100.00 H new ATOM 0 HG3 PRO A 46 -20.835 -46.404 -38.881 1.00100.00 H new ATOM 0 HD2 PRO A 46 -22.654 -44.380 -38.481 1.00100.00 H new ATOM 0 HD3 PRO A 46 -20.941 -44.045 -38.640 1.00100.00 H new ATOM 720 N GLU A 47 -23.803 -44.125 -42.885 1.00100.00 N ATOM 721 CA GLU A 47 -25.107 -44.293 -43.476 1.00100.00 C ATOM 722 C GLU A 47 -25.143 -45.500 -44.364 1.00100.00 C ATOM 723 O GLU A 47 -26.115 -46.256 -44.337 1.00100.00 O ATOM 724 CB GLU A 47 -25.535 -43.079 -44.319 1.00100.00 C ATOM 725 CG GLU A 47 -25.627 -41.834 -43.439 1.00100.00 C ATOM 726 CD GLU A 47 -26.083 -40.632 -44.254 1.00100.00 C ATOM 727 OE1 GLU A 47 -25.218 -40.057 -44.948 1.00100.00 O ATOM 728 OE2 GLU A 47 -27.289 -40.313 -44.169 1.00100.00 O ATOM 0 H GLU A 47 -23.362 -43.240 -43.135 1.00100.00 H new ATOM 0 HA GLU A 47 -25.797 -44.408 -42.640 1.00100.00 H new ATOM 0 HB2 GLU A 47 -24.817 -42.913 -45.123 1.00100.00 H new ATOM 0 HB3 GLU A 47 -26.499 -43.274 -44.788 1.00100.00 H new ATOM 0 HG2 GLU A 47 -26.325 -42.011 -42.621 1.00100.00 H new ATOM 0 HG3 GLU A 47 -24.656 -41.628 -42.989 1.00100.00 H new ATOM 735 N GLU A 48 -24.059 -45.707 -45.148 1.00100.00 N ATOM 736 CA GLU A 48 -23.918 -46.815 -46.052 1.00100.00 C ATOM 737 C GLU A 48 -23.933 -48.120 -45.303 1.00100.00 C ATOM 738 O GLU A 48 -24.629 -49.046 -45.715 1.00100.00 O ATOM 739 CB GLU A 48 -22.590 -46.751 -46.825 1.00100.00 C ATOM 740 CG GLU A 48 -22.550 -45.508 -47.713 1.00100.00 C ATOM 741 CD GLU A 48 -21.328 -45.529 -48.624 1.00100.00 C ATOM 742 OE1 GLU A 48 -20.218 -45.736 -48.089 1.00100.00 O ATOM 743 OE2 GLU A 48 -21.529 -45.338 -49.843 1.00100.00 O ATOM 0 H GLU A 48 -23.254 -45.080 -45.151 1.00100.00 H new ATOM 0 HA GLU A 48 -24.757 -46.754 -46.745 1.00100.00 H new ATOM 0 HB2 GLU A 48 -21.755 -46.733 -46.125 1.00100.00 H new ATOM 0 HB3 GLU A 48 -22.474 -47.646 -47.436 1.00100.00 H new ATOM 0 HG2 GLU A 48 -23.457 -45.457 -48.316 1.00100.00 H new ATOM 0 HG3 GLU A 48 -22.530 -44.613 -47.092 1.00100.00 H new ATOM 750 N LEU A 49 -23.183 -48.199 -44.173 1.00100.00 N ATOM 751 CA LEU A 49 -23.110 -49.381 -43.346 1.00100.00 C ATOM 752 C LEU A 49 -24.429 -49.704 -42.712 1.00100.00 C ATOM 753 O LEU A 49 -24.803 -50.876 -42.649 1.00100.00 O ATOM 754 CB LEU A 49 -22.017 -49.325 -42.257 1.00100.00 C ATOM 755 CG LEU A 49 -20.635 -49.040 -42.858 1.00100.00 C ATOM 756 CD1 LEU A 49 -19.589 -49.070 -41.744 1.00100.00 C ATOM 757 CD2 LEU A 49 -20.258 -50.082 -43.911 1.00100.00 C ATOM 0 H LEU A 49 -22.616 -47.425 -43.828 1.00100.00 H new ATOM 0 HA LEU A 49 -22.833 -50.176 -44.038 1.00100.00 H new ATOM 0 HB2 LEU A 49 -22.265 -48.551 -41.531 1.00100.00 H new ATOM 0 HB3 LEU A 49 -21.991 -50.272 -41.717 1.00100.00 H new ATOM 0 HG LEU A 49 -20.668 -48.060 -43.335 1.00100.00 H new ATOM 0 HD11 LEU A 49 -18.604 -48.868 -42.164 1.00100.00 H new ATOM 0 HD12 LEU A 49 -19.828 -48.311 -41.000 1.00100.00 H new ATOM 0 HD13 LEU A 49 -19.588 -50.053 -41.272 1.00100.00 H new ATOM 0 HD21 LEU A 49 -19.273 -49.850 -44.316 1.00100.00 H new ATOM 0 HD22 LEU A 49 -20.238 -51.071 -43.453 1.00100.00 H new ATOM 0 HD23 LEU A 49 -20.994 -50.069 -44.715 1.00100.00 H new ATOM 769 N LEU A 50 -25.163 -48.663 -42.240 1.00100.00 N ATOM 770 CA LEU A 50 -26.459 -48.806 -41.616 1.00100.00 C ATOM 771 C LEU A 50 -27.455 -49.395 -42.584 1.00100.00 C ATOM 772 O LEU A 50 -28.223 -50.281 -42.211 1.00100.00 O ATOM 773 CB LEU A 50 -27.024 -47.471 -41.084 1.00100.00 C ATOM 774 CG LEU A 50 -26.203 -46.954 -39.899 1.00100.00 C ATOM 775 CD1 LEU A 50 -26.605 -45.512 -39.596 1.00100.00 C ATOM 776 CD2 LEU A 50 -26.444 -47.810 -38.656 1.00100.00 C ATOM 0 H LEU A 50 -24.846 -47.695 -42.294 1.00100.00 H new ATOM 0 HA LEU A 50 -26.308 -49.473 -40.767 1.00100.00 H new ATOM 0 HB2 LEU A 50 -27.022 -46.729 -41.882 1.00100.00 H new ATOM 0 HB3 LEU A 50 -28.061 -47.608 -40.779 1.00100.00 H new ATOM 0 HG LEU A 50 -25.146 -47.005 -40.162 1.00100.00 H new ATOM 0 HD11 LEU A 50 -26.022 -45.141 -38.753 1.00100.00 H new ATOM 0 HD12 LEU A 50 -26.414 -44.890 -40.470 1.00100.00 H new ATOM 0 HD13 LEU A 50 -27.666 -45.474 -39.348 1.00100.00 H new ATOM 0 HD21 LEU A 50 -25.850 -47.424 -37.827 1.00100.00 H new ATOM 0 HD22 LEU A 50 -27.501 -47.778 -38.391 1.00100.00 H new ATOM 0 HD23 LEU A 50 -26.153 -48.840 -38.862 1.00100.00 H new ATOM 805 N ASP A 52 -28.836 -51.717 -45.491 1.00100.00 N ATOM 806 CA ASP A 52 -28.539 -53.068 -45.907 1.00100.00 C ATOM 807 C ASP A 52 -28.099 -53.101 -47.339 1.00100.00 C ATOM 808 O ASP A 52 -28.684 -52.441 -48.203 1.00100.00 O ATOM 809 CB ASP A 52 -29.704 -54.072 -45.738 1.00100.00 C ATOM 810 CG ASP A 52 -30.149 -54.139 -44.284 1.00100.00 C ATOM 811 OD1 ASP A 52 -29.308 -54.541 -43.452 1.00100.00 O ATOM 812 OD2 ASP A 52 -31.320 -53.783 -44.030 1.00100.00 O ATOM 0 HA ASP A 52 -27.740 -53.385 -45.236 1.00100.00 H new ATOM 0 HB2 ASP A 52 -30.543 -53.773 -46.367 1.00100.00 H new ATOM 0 HB3 ASP A 52 -29.390 -55.061 -46.074 1.00100.00 H new ATOM 817 N GLY A 53 -27.029 -53.879 -47.595 1.00100.00 N ATOM 818 CA GLY A 53 -26.474 -54.008 -48.913 1.00100.00 C ATOM 819 C GLY A 53 -25.136 -54.681 -48.844 1.00100.00 C ATOM 820 O GLY A 53 -24.824 -55.398 -47.891 1.00100.00 O ATOM 0 H GLY A 53 -26.543 -54.424 -46.883 1.00100.00 H new ATOM 0 HA2 GLY A 53 -27.148 -54.586 -49.545 1.00100.00 H new ATOM 0 HA3 GLY A 53 -26.372 -53.024 -49.371 1.00100.00 H new ATOM 824 N GLU A 54 -24.321 -54.453 -49.900 1.00100.00 N ATOM 825 CA GLU A 54 -22.991 -54.995 -50.057 1.00100.00 C ATOM 826 C GLU A 54 -22.036 -54.419 -49.045 1.00100.00 C ATOM 827 O GLU A 54 -22.219 -53.301 -48.557 1.00100.00 O ATOM 828 CB GLU A 54 -22.390 -54.718 -51.450 1.00100.00 C ATOM 829 CG GLU A 54 -23.134 -55.469 -52.550 1.00100.00 C ATOM 830 CD GLU A 54 -22.940 -56.971 -52.400 1.00100.00 C ATOM 831 OE1 GLU A 54 -21.786 -57.415 -52.589 1.00100.00 O ATOM 832 OE2 GLU A 54 -23.946 -57.647 -52.094 1.00100.00 O ATOM 0 H GLU A 54 -24.601 -53.863 -50.683 1.00100.00 H new ATOM 0 HA GLU A 54 -23.109 -56.069 -49.916 1.00100.00 H new ATOM 0 HB2 GLU A 54 -22.424 -53.648 -51.654 1.00100.00 H new ATOM 0 HB3 GLU A 54 -21.340 -55.010 -51.457 1.00100.00 H new ATOM 0 HG2 GLU A 54 -24.196 -55.228 -52.508 1.00100.00 H new ATOM 0 HG3 GLU A 54 -22.773 -55.146 -53.526 1.00100.00 H new ATOM 839 N ASP A 55 -20.997 -55.214 -48.701 1.00100.00 N ATOM 840 CA ASP A 55 -19.977 -54.864 -47.743 1.00100.00 C ATOM 841 C ASP A 55 -19.165 -53.667 -48.136 1.00100.00 C ATOM 842 O ASP A 55 -18.914 -52.802 -47.292 1.00100.00 O ATOM 843 CB ASP A 55 -18.979 -56.020 -47.485 1.00100.00 C ATOM 844 CG ASP A 55 -19.710 -57.276 -47.027 1.00100.00 C ATOM 845 OD1 ASP A 55 -20.513 -57.152 -46.077 1.00100.00 O ATOM 846 OD2 ASP A 55 -19.456 -58.335 -47.640 1.00100.00 O ATOM 0 H ASP A 55 -20.861 -56.140 -49.107 1.00100.00 H new ATOM 0 HA ASP A 55 -20.546 -54.638 -46.841 1.00100.00 H new ATOM 0 HB2 ASP A 55 -18.418 -56.232 -48.395 1.00100.00 H new ATOM 0 HB3 ASP A 55 -18.255 -55.719 -46.728 1.00100.00 H new ATOM 851 N ASP A 56 -18.762 -53.583 -49.427 1.00100.00 N ATOM 852 CA ASP A 56 -17.963 -52.484 -49.912 1.00100.00 C ATOM 853 C ASP A 56 -18.652 -51.865 -51.095 1.00100.00 C ATOM 854 O ASP A 56 -19.461 -52.503 -51.768 1.00100.00 O ATOM 855 CB ASP A 56 -16.549 -52.903 -50.395 1.00100.00 C ATOM 856 CG ASP A 56 -15.733 -53.469 -49.241 1.00100.00 C ATOM 857 OD1 ASP A 56 -15.458 -52.687 -48.305 1.00100.00 O ATOM 858 OD2 ASP A 56 -15.404 -54.673 -49.313 1.00100.00 O ATOM 0 H ASP A 56 -18.990 -54.279 -50.137 1.00100.00 H new ATOM 0 HA ASP A 56 -17.851 -51.800 -49.071 1.00100.00 H new ATOM 0 HB2 ASP A 56 -16.635 -53.648 -51.186 1.00100.00 H new ATOM 0 HB3 ASP A 56 -16.035 -52.042 -50.823 1.00100.00 H new ATOM 863 N VAL A 57 -18.336 -50.572 -51.352 1.00100.00 N ATOM 864 CA VAL A 57 -18.858 -49.757 -52.435 1.00100.00 C ATOM 865 C VAL A 57 -18.425 -50.353 -53.757 1.00100.00 C ATOM 866 O VAL A 57 -19.183 -50.384 -54.727 1.00100.00 O ATOM 867 CB VAL A 57 -18.406 -48.306 -52.284 1.00100.00 C ATOM 868 CG1 VAL A 57 -18.954 -47.463 -53.436 1.00100.00 C ATOM 869 CG2 VAL A 57 -18.918 -47.732 -50.962 1.00100.00 C ATOM 0 H VAL A 57 -17.674 -50.059 -50.769 1.00100.00 H new ATOM 0 HA VAL A 57 -19.947 -49.751 -52.401 1.00100.00 H new ATOM 0 HB VAL A 57 -17.316 -48.280 -52.297 1.00100.00 H new ATOM 0 HG11 VAL A 57 -18.626 -46.430 -53.319 1.00100.00 H new ATOM 0 HG12 VAL A 57 -18.584 -47.856 -54.383 1.00100.00 H new ATOM 0 HG13 VAL A 57 -20.043 -47.501 -53.428 1.00100.00 H new ATOM 0 HG21 VAL A 57 -18.590 -46.697 -50.864 1.00100.00 H new ATOM 0 HG22 VAL A 57 -20.007 -47.771 -50.946 1.00100.00 H new ATOM 0 HG23 VAL A 57 -18.522 -48.318 -50.133 1.00100.00 H new ATOM 879 N PHE A 58 -17.170 -50.833 -53.797 1.00100.00 N ATOM 880 CA PHE A 58 -16.516 -51.458 -54.913 1.00100.00 C ATOM 881 C PHE A 58 -17.167 -52.747 -55.325 1.00100.00 C ATOM 882 O PHE A 58 -17.224 -53.037 -56.520 1.00100.00 O ATOM 883 CB PHE A 58 -15.039 -51.778 -54.614 1.00100.00 C ATOM 884 CG PHE A 58 -14.234 -50.553 -54.247 1.00100.00 C ATOM 885 CD1 PHE A 58 -13.609 -49.800 -55.250 1.00100.00 C ATOM 886 CD2 PHE A 58 -14.128 -50.161 -52.905 1.00100.00 C ATOM 887 CE1 PHE A 58 -12.874 -48.656 -54.910 1.00100.00 C ATOM 888 CE2 PHE A 58 -13.395 -49.017 -52.567 1.00100.00 C ATOM 889 CZ PHE A 58 -12.768 -48.265 -53.569 1.00100.00 C ATOM 0 H PHE A 58 -16.560 -50.781 -52.981 1.00100.00 H new ATOM 0 HA PHE A 58 -16.597 -50.728 -55.719 1.00100.00 H new ATOM 0 HB2 PHE A 58 -14.987 -52.499 -53.798 1.00100.00 H new ATOM 0 HB3 PHE A 58 -14.591 -52.252 -55.487 1.00100.00 H new ATOM 0 HD1 PHE A 58 -13.694 -50.101 -56.284 1.00100.00 H new ATOM 0 HD2 PHE A 58 -14.611 -50.741 -52.133 1.00100.00 H new ATOM 0 HE1 PHE A 58 -12.390 -48.076 -55.682 1.00100.00 H new ATOM 0 HE2 PHE A 58 -13.313 -48.714 -51.534 1.00100.00 H new ATOM 0 HZ PHE A 58 -12.202 -47.383 -53.307 1.00100.00 H new ATOM 899 N ASP A 59 -17.699 -53.522 -54.344 1.00100.00 N ATOM 900 CA ASP A 59 -18.274 -54.827 -54.575 1.00100.00 C ATOM 901 C ASP A 59 -19.422 -54.951 -55.556 1.00100.00 C ATOM 902 O ASP A 59 -19.318 -55.866 -56.377 1.00100.00 O ATOM 903 CB ASP A 59 -18.704 -55.541 -53.263 1.00100.00 C ATOM 904 CG ASP A 59 -17.511 -55.887 -52.381 1.00100.00 C ATOM 905 OD1 ASP A 59 -16.379 -55.886 -52.912 1.00100.00 O ATOM 906 OD2 ASP A 59 -17.759 -56.160 -51.187 1.00100.00 O ATOM 0 H ASP A 59 -17.730 -53.233 -53.366 1.00100.00 H new ATOM 0 HA ASP A 59 -17.422 -55.312 -55.052 1.00100.00 H new ATOM 0 HB2 ASP A 59 -19.389 -54.899 -52.709 1.00100.00 H new ATOM 0 HB3 ASP A 59 -19.249 -56.452 -53.509 1.00100.00 H new