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 163:sc= 0.682! USER MOD Set 1.2: A 23 CYS SG : rot 95:sc= 0.00363! USER MOD Set 1.3: A 36 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 16 HIS : no HD1:sc= -1.2 X(o=-4.2,f=-4.7!) USER MOD Set 2.2: A 26 CYS SG : rot -150:sc= -3.03! USER MOD Set 2.3: A 30 GLN : amide:sc= 0 K(o=-4.2,f=-5.8) USER MOD Set 3.1: A 7 THR OG1 : rot -19:sc= 1.12 USER MOD Set 3.2: A 8 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 1 GLY N :NH3+ 160:sc= -0.217 (180deg=-0.94) USER MOD Set 4.2: A 9 MET CE :methyl -126:sc= -0.0532 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00172 USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0539 USER MOD Single : A 5 MET CE :methyl -164:sc= -0.0946 (180deg=-0.535) USER MOD Single : A 11 GLN : amide:sc= -0.218 K(o=-0.22,f=-0.9) USER MOD Single : A 17 SER OG : rot 180:sc= 0 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+ 169:sc= 0.0685 (180deg=-0.057) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 62:sc= 0.255 USER MOD Single : A 33 ASN : amide:sc= -0.399 K(o=-0.4,f=-4.1!) 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 -26.323 -45.880 -23.063 1.00100.00 N ATOM 2 CA GLY A 1 -26.902 -44.925 -22.103 1.00100.00 C ATOM 3 C GLY A 1 -28.060 -44.257 -22.756 1.00100.00 C ATOM 4 O GLY A 1 -27.917 -43.642 -23.813 1.00100.00 O ATOM 0 H1 GLY A 1 -25.347 -46.105 -22.783 1.00100.00 H new ATOM 0 H2 GLY A 1 -26.890 -46.751 -23.071 1.00100.00 H new ATOM 0 H3 GLY A 1 -26.322 -45.459 -24.014 1.00100.00 H new ATOM 0 HA2 GLY A 1 -27.222 -45.442 -21.198 1.00100.00 H new ATOM 0 HA3 GLY A 1 -26.157 -44.188 -21.803 1.00100.00 H new ATOM 10 N SER A 2 -29.262 -44.596 -22.241 1.00100.00 N ATOM 11 CA SER A 2 -30.521 -44.064 -22.706 1.00100.00 C ATOM 12 C SER A 2 -30.561 -42.575 -22.485 1.00100.00 C ATOM 13 O SER A 2 -30.981 -41.822 -23.366 1.00100.00 O ATOM 14 CB SER A 2 -31.716 -44.746 -22.003 1.00100.00 C ATOM 15 OG SER A 2 -31.637 -44.552 -20.608 1.00100.00 O ATOM 0 H SER A 2 -29.365 -45.262 -21.475 1.00100.00 H new ATOM 0 HA SER A 2 -30.604 -44.271 -23.773 1.00100.00 H new ATOM 0 HB2 SER A 2 -32.652 -44.336 -22.382 1.00100.00 H new ATOM 0 HB3 SER A 2 -31.720 -45.812 -22.229 1.00100.00 H new ATOM 0 HG SER A 2 -32.400 -44.987 -20.173 1.00100.00 H new ATOM 21 N THR A 3 -30.101 -42.137 -21.291 1.00100.00 N ATOM 22 CA THR A 3 -30.028 -40.753 -20.912 1.00100.00 C ATOM 23 C THR A 3 -28.748 -40.172 -21.474 1.00100.00 C ATOM 24 O THR A 3 -27.873 -40.908 -21.945 1.00100.00 O ATOM 25 CB THR A 3 -30.169 -40.547 -19.406 1.00100.00 C ATOM 26 OG1 THR A 3 -30.276 -39.170 -19.115 1.00100.00 O ATOM 27 CG2 THR A 3 -28.957 -41.124 -18.677 1.00100.00 C ATOM 0 H THR A 3 -29.768 -42.770 -20.564 1.00100.00 H new ATOM 0 HA THR A 3 -30.876 -40.216 -21.337 1.00100.00 H new ATOM 0 HB THR A 3 -31.069 -41.061 -19.069 1.00100.00 H new ATOM 0 HG1 THR A 3 -30.368 -39.046 -18.147 1.00100.00 H new ATOM 0 HG21 THR A 3 -29.071 -40.970 -17.604 1.00100.00 H new ATOM 0 HG22 THR A 3 -28.882 -42.191 -18.885 1.00100.00 H new ATOM 0 HG23 THR A 3 -28.053 -40.623 -19.022 1.00100.00 H new ATOM 35 N ALA A 4 -28.625 -38.823 -21.452 1.00100.00 N ATOM 36 CA ALA A 4 -27.448 -38.183 -21.967 1.00100.00 C ATOM 37 C ALA A 4 -26.419 -38.219 -20.885 1.00100.00 C ATOM 38 O ALA A 4 -26.575 -37.618 -19.818 1.00100.00 O ATOM 39 CB ALA A 4 -27.660 -36.717 -22.393 1.00100.00 C ATOM 0 H ALA A 4 -29.331 -38.186 -21.083 1.00100.00 H new ATOM 0 HA ALA A 4 -27.148 -38.720 -22.867 1.00100.00 H new ATOM 0 HB1 ALA A 4 -26.722 -36.308 -22.770 1.00100.00 H new ATOM 0 HB2 ALA A 4 -28.417 -36.671 -23.176 1.00100.00 H new ATOM 0 HB3 ALA A 4 -27.991 -36.133 -21.534 1.00100.00 H new ATOM 45 N MET A 5 -25.338 -38.977 -21.164 1.00100.00 N ATOM 46 CA MET A 5 -24.250 -39.128 -20.249 1.00100.00 C ATOM 47 C MET A 5 -23.210 -38.244 -20.854 1.00100.00 C ATOM 48 O MET A 5 -22.694 -38.539 -21.933 1.00100.00 O ATOM 49 CB MET A 5 -23.684 -40.568 -20.212 1.00100.00 C ATOM 50 CG MET A 5 -24.752 -41.548 -19.728 1.00100.00 C ATOM 51 SD MET A 5 -25.405 -41.195 -18.076 1.00100.00 S ATOM 52 CE MET A 5 -23.873 -41.314 -17.117 1.00100.00 C ATOM 0 H MET A 5 -25.220 -39.491 -22.037 1.00100.00 H new ATOM 0 HA MET A 5 -24.551 -38.895 -19.228 1.00100.00 H new ATOM 0 HB2 MET A 5 -23.340 -40.856 -21.206 1.00100.00 H new ATOM 0 HB3 MET A 5 -22.818 -40.608 -19.551 1.00100.00 H new ATOM 0 HG2 MET A 5 -25.578 -41.545 -20.439 1.00100.00 H new ATOM 0 HG3 MET A 5 -24.332 -42.554 -19.731 1.00100.00 H new ATOM 0 HE1 MET A 5 -24.113 -41.408 -16.058 1.00100.00 H new ATOM 0 HE2 MET A 5 -23.308 -42.188 -17.440 1.00100.00 H new ATOM 0 HE3 MET A 5 -23.274 -40.417 -17.275 1.00100.00 H new ATOM 62 N ALA A 6 -22.967 -37.084 -20.194 1.00100.00 N ATOM 63 CA ALA A 6 -22.027 -36.068 -20.613 1.00100.00 C ATOM 64 C ALA A 6 -22.241 -35.653 -22.049 1.00100.00 C ATOM 65 O ALA A 6 -21.304 -35.586 -22.850 1.00100.00 O ATOM 66 CB ALA A 6 -20.538 -36.399 -20.340 1.00100.00 C ATOM 0 H ALA A 6 -23.448 -36.842 -19.328 1.00100.00 H new ATOM 0 HA ALA A 6 -22.251 -35.217 -19.970 1.00100.00 H new ATOM 0 HB1 ALA A 6 -19.913 -35.577 -20.689 1.00100.00 H new ATOM 0 HB2 ALA A 6 -20.387 -36.541 -19.270 1.00100.00 H new ATOM 0 HB3 ALA A 6 -20.265 -37.312 -20.869 1.00100.00 H new ATOM 72 N THR A 7 -23.531 -35.408 -22.388 1.00100.00 N ATOM 73 CA THR A 7 -24.054 -34.996 -23.672 1.00100.00 C ATOM 74 C THR A 7 -24.039 -36.046 -24.746 1.00100.00 C ATOM 75 O THR A 7 -25.099 -36.320 -25.313 1.00100.00 O ATOM 76 CB THR A 7 -23.575 -33.655 -24.230 1.00100.00 C ATOM 77 OG1 THR A 7 -22.207 -33.713 -24.568 1.00100.00 O ATOM 78 CG2 THR A 7 -23.794 -32.551 -23.196 1.00100.00 C ATOM 0 H THR A 7 -24.276 -35.508 -21.699 1.00100.00 H new ATOM 0 HA THR A 7 -25.092 -34.834 -23.381 1.00100.00 H new ATOM 0 HB THR A 7 -24.151 -33.436 -25.129 1.00100.00 H new ATOM 0 HG1 THR A 7 -21.787 -34.468 -24.105 1.00100.00 H new ATOM 0 HG21 THR A 7 -23.450 -31.599 -23.601 1.00100.00 H new ATOM 0 HG22 THR A 7 -24.855 -32.481 -22.957 1.00100.00 H new ATOM 0 HG23 THR A 7 -23.233 -32.784 -22.291 1.00100.00 H new ATOM 86 N THR A 8 -22.872 -36.678 -25.031 1.00100.00 N ATOM 87 CA THR A 8 -22.807 -37.666 -26.080 1.00100.00 C ATOM 88 C THR A 8 -22.433 -39.007 -25.496 1.00100.00 C ATOM 89 O THR A 8 -21.597 -39.108 -24.596 1.00100.00 O ATOM 90 CB THR A 8 -21.826 -37.274 -27.165 1.00100.00 C ATOM 91 OG1 THR A 8 -22.170 -35.996 -27.654 1.00100.00 O ATOM 92 CG2 THR A 8 -21.877 -38.272 -28.320 1.00100.00 C ATOM 0 H THR A 8 -21.991 -36.509 -24.546 1.00100.00 H new ATOM 0 HA THR A 8 -23.793 -37.730 -26.541 1.00100.00 H new ATOM 0 HB THR A 8 -20.820 -37.267 -26.745 1.00100.00 H new ATOM 0 HG1 THR A 8 -21.539 -35.734 -28.356 1.00100.00 H new ATOM 0 HG21 THR A 8 -21.165 -37.974 -29.090 1.00100.00 H new ATOM 0 HG22 THR A 8 -21.620 -39.266 -27.954 1.00100.00 H new ATOM 0 HG23 THR A 8 -22.882 -38.289 -28.742 1.00100.00 H new ATOM 100 N MET A 9 -23.086 -40.066 -26.026 1.00100.00 N ATOM 101 CA MET A 9 -22.905 -41.436 -25.622 1.00100.00 C ATOM 102 C MET A 9 -22.059 -42.230 -26.596 1.00100.00 C ATOM 103 O MET A 9 -21.710 -41.751 -27.677 1.00100.00 O ATOM 104 CB MET A 9 -24.277 -42.136 -25.387 1.00100.00 C ATOM 105 CG MET A 9 -24.129 -43.475 -24.665 1.00100.00 C ATOM 106 SD MET A 9 -23.375 -43.347 -23.025 1.00100.00 S ATOM 107 CE MET A 9 -22.927 -45.084 -22.791 1.00100.00 C ATOM 0 H MET A 9 -23.773 -39.962 -26.772 1.00100.00 H new ATOM 0 HA MET A 9 -22.359 -41.409 -24.679 1.00100.00 H new ATOM 0 HB2 MET A 9 -24.922 -41.480 -24.802 1.00100.00 H new ATOM 0 HB3 MET A 9 -24.770 -42.295 -26.346 1.00100.00 H new ATOM 0 HG2 MET A 9 -25.113 -43.934 -24.567 1.00100.00 H new ATOM 0 HG3 MET A 9 -23.526 -44.143 -25.280 1.00100.00 H new ATOM 0 HE1 MET A 9 -23.345 -45.444 -21.851 1.00100.00 H new ATOM 0 HE2 MET A 9 -23.324 -45.676 -23.615 1.00100.00 H new ATOM 0 HE3 MET A 9 -21.841 -45.180 -22.766 1.00100.00 H new ATOM 117 N GLU A 10 -21.433 -43.294 -26.028 1.00100.00 N ATOM 118 CA GLU A 10 -20.564 -44.291 -26.621 1.00100.00 C ATOM 119 C GLU A 10 -19.156 -43.865 -26.881 1.00100.00 C ATOM 120 O GLU A 10 -18.321 -44.693 -27.249 1.00100.00 O ATOM 121 CB GLU A 10 -21.136 -44.979 -27.887 1.00100.00 C ATOM 122 CG GLU A 10 -22.493 -45.611 -27.582 1.00100.00 C ATOM 123 CD GLU A 10 -23.033 -46.338 -28.805 1.00100.00 C ATOM 124 OE1 GLU A 10 -23.634 -45.647 -29.654 1.00100.00 O ATOM 125 OE2 GLU A 10 -22.832 -47.569 -28.870 1.00100.00 O ATOM 0 H GLU A 10 -21.552 -43.475 -25.031 1.00100.00 H new ATOM 0 HA GLU A 10 -20.528 -45.024 -25.815 1.00100.00 H new ATOM 0 HB2 GLU A 10 -21.240 -44.249 -28.690 1.00100.00 H new ATOM 0 HB3 GLU A 10 -20.442 -45.743 -28.238 1.00100.00 H new ATOM 0 HG2 GLU A 10 -22.396 -46.309 -26.751 1.00100.00 H new ATOM 0 HG3 GLU A 10 -23.197 -44.840 -27.270 1.00100.00 H new ATOM 132 N GLN A 11 -18.849 -42.576 -26.642 1.00100.00 N ATOM 133 CA GLN A 11 -17.522 -42.078 -26.822 1.00100.00 C ATOM 134 C GLN A 11 -16.747 -42.044 -25.517 1.00100.00 C ATOM 135 O GLN A 11 -15.607 -41.592 -25.488 1.00100.00 O ATOM 136 CB GLN A 11 -17.502 -40.827 -27.735 1.00100.00 C ATOM 137 CG GLN A 11 -18.339 -39.664 -27.217 1.00100.00 C ATOM 138 CD GLN A 11 -18.312 -38.526 -28.232 1.00100.00 C ATOM 139 OE1 GLN A 11 -18.867 -38.658 -29.319 1.00100.00 O ATOM 140 NE2 GLN A 11 -17.658 -37.415 -27.887 1.00100.00 N ATOM 0 H GLN A 11 -19.522 -41.879 -26.324 1.00100.00 H new ATOM 0 HA GLN A 11 -16.928 -42.784 -27.403 1.00100.00 H new ATOM 0 HB2 GLN A 11 -16.471 -40.494 -27.854 1.00100.00 H new ATOM 0 HB3 GLN A 11 -17.862 -41.107 -28.725 1.00100.00 H new ATOM 0 HG2 GLN A 11 -19.365 -39.989 -27.046 1.00100.00 H new ATOM 0 HG3 GLN A 11 -17.950 -39.320 -26.259 1.00100.00 H new ATOM 0 HE21 GLN A 11 -17.211 -37.349 -26.972 1.00100.00 H new ATOM 0 HE22 GLN A 11 -17.605 -36.632 -28.538 1.00100.00 H new ATOM 149 N GLU A 12 -17.363 -42.559 -24.414 1.00100.00 N ATOM 150 CA GLU A 12 -16.844 -42.704 -23.062 1.00100.00 C ATOM 151 C GLU A 12 -16.585 -41.433 -22.301 1.00100.00 C ATOM 152 O GLU A 12 -16.715 -40.364 -22.883 1.00100.00 O ATOM 153 CB GLU A 12 -15.740 -43.760 -22.896 1.00100.00 C ATOM 154 CG GLU A 12 -16.250 -45.143 -23.290 1.00100.00 C ATOM 155 CD GLU A 12 -15.227 -46.232 -22.984 1.00100.00 C ATOM 156 OE1 GLU A 12 -14.138 -45.879 -22.482 1.00100.00 O ATOM 157 OE2 GLU A 12 -15.558 -47.407 -23.256 1.00100.00 O ATOM 0 H GLU A 12 -18.319 -42.908 -24.477 1.00100.00 H new ATOM 0 HA GLU A 12 -17.711 -43.122 -22.551 1.00100.00 H new ATOM 0 HB2 GLU A 12 -14.881 -43.495 -23.513 1.00100.00 H new ATOM 0 HB3 GLU A 12 -15.397 -43.775 -21.861 1.00100.00 H new ATOM 0 HG2 GLU A 12 -17.177 -45.354 -22.756 1.00100.00 H new ATOM 0 HG3 GLU A 12 -16.485 -45.154 -24.354 1.00100.00 H new ATOM 164 N ILE A 13 -16.297 -41.487 -20.962 1.00100.00 N ATOM 165 CA ILE A 13 -16.074 -40.266 -20.196 1.00100.00 C ATOM 166 C ILE A 13 -14.981 -40.498 -19.156 1.00100.00 C ATOM 167 O ILE A 13 -15.083 -41.452 -18.379 1.00100.00 O ATOM 168 CB ILE A 13 -17.305 -39.917 -19.340 1.00100.00 C ATOM 169 CG1 ILE A 13 -18.551 -39.795 -20.226 1.00100.00 C ATOM 170 CG2 ILE A 13 -17.055 -38.589 -18.613 1.00100.00 C ATOM 171 CD1 ILE A 13 -19.826 -39.650 -19.394 1.00100.00 C ATOM 0 H ILE A 13 -16.220 -42.350 -20.424 1.00100.00 H new ATOM 0 HA ILE A 13 -15.833 -39.489 -20.922 1.00100.00 H new ATOM 0 HB ILE A 13 -17.471 -40.710 -18.611 1.00100.00 H new ATOM 0 HG12 ILE A 13 -18.446 -38.933 -20.884 1.00100.00 H new ATOM 0 HG13 ILE A 13 -18.631 -40.675 -20.864 1.00100.00 H new ATOM 0 HG21 ILE A 13 -17.924 -38.338 -18.005 1.00100.00 H new ATOM 0 HG22 ILE A 13 -16.179 -38.685 -17.971 1.00100.00 H new ATOM 0 HG23 ILE A 13 -16.884 -37.800 -19.345 1.00100.00 H new ATOM 0 HD11 ILE A 13 -20.686 -39.566 -20.058 1.00100.00 H new ATOM 0 HD12 ILE A 13 -19.945 -40.525 -18.755 1.00100.00 H new ATOM 0 HD13 ILE A 13 -19.757 -38.755 -18.775 1.00100.00 H new ATOM 183 N CYS A 14 -13.921 -39.639 -19.112 1.00100.00 N ATOM 184 CA CYS A 14 -12.869 -39.724 -18.112 1.00100.00 C ATOM 185 C CYS A 14 -12.729 -38.358 -17.441 1.00100.00 C ATOM 186 O CYS A 14 -13.691 -37.900 -16.822 1.00100.00 O ATOM 187 CB CYS A 14 -11.504 -40.265 -18.592 1.00100.00 C ATOM 188 SG CYS A 14 -10.342 -40.239 -17.197 1.00100.00 S ATOM 0 H CYS A 14 -13.793 -38.877 -19.778 1.00100.00 H new ATOM 0 HA CYS A 14 -13.188 -40.487 -17.403 1.00100.00 H new ATOM 0 HB2 CYS A 14 -11.613 -41.280 -18.973 1.00100.00 H new ATOM 0 HB3 CYS A 14 -11.123 -39.656 -19.412 1.00100.00 H new ATOM 0 HG CYS A 14 -9.327 -41.007 -17.463 1.00100.00 H new ATOM 194 N ALA A 15 -11.554 -37.660 -17.560 1.00100.00 N ATOM 195 CA ALA A 15 -11.304 -36.364 -16.981 1.00100.00 C ATOM 196 C ALA A 15 -11.519 -35.177 -17.901 1.00100.00 C ATOM 197 O ALA A 15 -12.491 -34.465 -17.667 1.00100.00 O ATOM 198 CB ALA A 15 -9.891 -36.250 -16.390 1.00100.00 C ATOM 0 H ALA A 15 -10.756 -38.022 -18.081 1.00100.00 H new ATOM 0 HA ALA A 15 -12.062 -36.311 -16.200 1.00100.00 H new ATOM 0 HB1 ALA A 15 -9.753 -35.255 -15.966 1.00100.00 H new ATOM 0 HB2 ALA A 15 -9.762 -36.998 -15.608 1.00100.00 H new ATOM 0 HB3 ALA A 15 -9.154 -36.415 -17.176 1.00100.00 H new ATOM 204 N HIS A 16 -10.670 -34.890 -18.946 1.00100.00 N ATOM 205 CA HIS A 16 -10.954 -33.743 -19.805 1.00100.00 C ATOM 206 C HIS A 16 -10.731 -33.734 -21.310 1.00100.00 C ATOM 207 O HIS A 16 -9.656 -33.412 -21.812 1.00100.00 O ATOM 208 CB HIS A 16 -10.483 -32.361 -19.259 1.00100.00 C ATOM 209 CG HIS A 16 -9.006 -32.213 -19.036 1.00100.00 C ATOM 210 ND1 HIS A 16 -8.339 -32.479 -17.863 1.00100.00 N ATOM 211 CD2 HIS A 16 -8.109 -31.656 -19.909 1.00100.00 C ATOM 212 CE1 HIS A 16 -7.062 -32.088 -18.035 1.00100.00 C ATOM 213 NE2 HIS A 16 -6.874 -31.580 -19.263 1.00100.00 N ATOM 0 H HIS A 16 -9.833 -35.421 -19.185 1.00100.00 H new ATOM 0 HA HIS A 16 -12.026 -33.922 -19.720 1.00100.00 H new ATOM 0 HB2 HIS A 16 -10.805 -31.588 -19.957 1.00100.00 H new ATOM 0 HB3 HIS A 16 -10.994 -32.172 -18.315 1.00100.00 H new ATOM 0 HD2 HIS A 16 -8.320 -31.333 -20.918 1.00100.00 H new ATOM 0 HE1 HIS A 16 -6.291 -32.172 -17.284 1.00100.00 H new ATOM 0 HE2 HIS A 16 -6.004 -31.212 -19.647 1.00100.00 H new ATOM 221 N SER A 17 -11.798 -34.068 -22.064 1.00100.00 N ATOM 222 CA SER A 17 -11.882 -34.069 -23.503 1.00100.00 C ATOM 223 C SER A 17 -10.859 -34.754 -24.394 1.00100.00 C ATOM 224 O SER A 17 -10.337 -34.116 -25.315 1.00100.00 O ATOM 225 CB SER A 17 -12.191 -32.629 -23.990 1.00100.00 C ATOM 226 OG SER A 17 -13.400 -32.180 -23.420 1.00100.00 O ATOM 0 H SER A 17 -12.675 -34.362 -21.634 1.00100.00 H new ATOM 0 HA SER A 17 -12.685 -34.791 -23.651 1.00100.00 H new ATOM 0 HB2 SER A 17 -11.377 -31.959 -23.713 1.00100.00 H new ATOM 0 HB3 SER A 17 -12.262 -32.611 -25.078 1.00100.00 H new ATOM 0 HG SER A 17 -13.589 -31.270 -23.730 1.00100.00 H new ATOM 232 N MET A 18 -10.532 -36.056 -24.159 1.00100.00 N ATOM 233 CA MET A 18 -9.572 -36.722 -25.022 1.00100.00 C ATOM 234 C MET A 18 -9.860 -38.060 -25.654 1.00100.00 C ATOM 235 O MET A 18 -10.696 -38.112 -26.545 1.00100.00 O ATOM 236 CB MET A 18 -8.085 -36.668 -24.599 1.00100.00 C ATOM 237 CG MET A 18 -7.361 -35.405 -25.066 1.00100.00 C ATOM 238 SD MET A 18 -7.727 -33.882 -24.162 1.00100.00 S ATOM 239 CE MET A 18 -6.693 -32.744 -25.116 1.00100.00 C ATOM 0 H MET A 18 -10.913 -36.628 -23.405 1.00100.00 H new ATOM 0 HA MET A 18 -9.768 -36.014 -25.827 1.00100.00 H new ATOM 0 HB2 MET A 18 -8.022 -36.732 -23.513 1.00100.00 H new ATOM 0 HB3 MET A 18 -7.570 -37.541 -25.000 1.00100.00 H new ATOM 0 HG2 MET A 18 -6.288 -35.586 -25.008 1.00100.00 H new ATOM 0 HG3 MET A 18 -7.601 -35.244 -26.117 1.00100.00 H new ATOM 0 HE1 MET A 18 -6.785 -31.738 -24.706 1.00100.00 H new ATOM 0 HE2 MET A 18 -5.653 -33.065 -25.061 1.00100.00 H new ATOM 0 HE3 MET A 18 -7.018 -32.743 -26.156 1.00100.00 H new ATOM 249 N THR A 19 -9.119 -39.147 -25.302 1.00100.00 N ATOM 250 CA THR A 19 -9.264 -40.451 -25.913 1.00100.00 C ATOM 251 C THR A 19 -9.120 -41.530 -24.868 1.00100.00 C ATOM 252 O THR A 19 -8.609 -41.292 -23.774 1.00100.00 O ATOM 253 CB THR A 19 -8.190 -40.670 -26.993 1.00100.00 C ATOM 254 OG1 THR A 19 -8.154 -39.537 -27.832 1.00100.00 O ATOM 255 CG2 THR A 19 -8.448 -41.900 -27.863 1.00100.00 C ATOM 0 H THR A 19 -8.403 -39.117 -24.576 1.00100.00 H new ATOM 0 HA THR A 19 -10.253 -40.499 -26.370 1.00100.00 H new ATOM 0 HB THR A 19 -7.245 -40.828 -26.474 1.00100.00 H new ATOM 0 HG1 THR A 19 -7.472 -39.664 -28.524 1.00100.00 H new ATOM 0 HG21 THR A 19 -7.654 -41.995 -28.603 1.00100.00 H new ATOM 0 HG22 THR A 19 -8.469 -42.791 -27.236 1.00100.00 H new ATOM 0 HG23 THR A 19 -9.406 -41.792 -28.371 1.00100.00 H new ATOM 263 N PHE A 20 -9.565 -42.767 -25.195 1.00100.00 N ATOM 264 CA PHE A 20 -9.500 -43.925 -24.335 1.00100.00 C ATOM 265 C PHE A 20 -8.060 -44.205 -23.964 1.00100.00 C ATOM 266 O PHE A 20 -7.750 -44.417 -22.791 1.00100.00 O ATOM 267 CB PHE A 20 -10.072 -45.149 -25.105 1.00100.00 C ATOM 268 CG PHE A 20 -10.029 -46.442 -24.324 1.00100.00 C ATOM 269 CD1 PHE A 20 -8.904 -47.275 -24.405 1.00100.00 C ATOM 270 CD2 PHE A 20 -11.116 -46.814 -23.524 1.00100.00 C ATOM 271 CE1 PHE A 20 -8.872 -48.479 -23.688 1.00100.00 C ATOM 272 CE2 PHE A 20 -11.086 -48.016 -22.809 1.00100.00 C ATOM 273 CZ PHE A 20 -9.965 -48.850 -22.892 1.00100.00 C ATOM 0 H PHE A 20 -9.990 -42.970 -26.100 1.00100.00 H new ATOM 0 HA PHE A 20 -10.077 -43.743 -23.429 1.00100.00 H new ATOM 0 HB2 PHE A 20 -11.105 -44.939 -25.384 1.00100.00 H new ATOM 0 HB3 PHE A 20 -9.511 -45.277 -26.031 1.00100.00 H new ATOM 0 HD1 PHE A 20 -8.063 -46.989 -25.019 1.00100.00 H new ATOM 0 HD2 PHE A 20 -11.981 -46.171 -23.459 1.00100.00 H new ATOM 0 HE1 PHE A 20 -8.006 -49.121 -23.749 1.00100.00 H new ATOM 0 HE2 PHE A 20 -11.927 -48.300 -22.194 1.00100.00 H new ATOM 0 HZ PHE A 20 -9.942 -49.780 -22.343 1.00100.00 H new ATOM 283 N GLU A 21 -7.157 -44.179 -24.967 1.00100.00 N ATOM 284 CA GLU A 21 -5.746 -44.403 -24.793 1.00100.00 C ATOM 285 C GLU A 21 -5.143 -43.314 -23.958 1.00100.00 C ATOM 286 O GLU A 21 -4.271 -43.562 -23.126 1.00100.00 O ATOM 287 CB GLU A 21 -4.991 -44.464 -26.130 1.00100.00 C ATOM 288 CG GLU A 21 -5.564 -45.572 -27.011 1.00100.00 C ATOM 289 CD GLU A 21 -4.825 -45.641 -28.339 1.00100.00 C ATOM 290 OE1 GLU A 21 -4.988 -44.685 -29.129 1.00100.00 O ATOM 291 OE2 GLU A 21 -4.110 -46.646 -28.542 1.00100.00 O ATOM 0 H GLU A 21 -7.417 -43.995 -25.936 1.00100.00 H new ATOM 0 HA GLU A 21 -5.647 -45.368 -24.296 1.00100.00 H new ATOM 0 HB2 GLU A 21 -5.068 -43.505 -26.643 1.00100.00 H new ATOM 0 HB3 GLU A 21 -3.931 -44.645 -25.949 1.00100.00 H new ATOM 0 HG2 GLU A 21 -5.486 -46.529 -26.496 1.00100.00 H new ATOM 0 HG3 GLU A 21 -6.624 -45.391 -27.188 1.00100.00 H new ATOM 298 N GLU A 22 -5.609 -42.072 -24.197 1.00100.00 N ATOM 299 CA GLU A 22 -5.186 -40.881 -23.521 1.00100.00 C ATOM 300 C GLU A 22 -5.666 -40.777 -22.102 1.00100.00 C ATOM 301 O GLU A 22 -5.045 -40.059 -21.318 1.00100.00 O ATOM 302 CB GLU A 22 -5.629 -39.619 -24.287 1.00100.00 C ATOM 303 CG GLU A 22 -4.998 -39.551 -25.676 1.00100.00 C ATOM 304 CD GLU A 22 -3.497 -39.327 -25.579 1.00100.00 C ATOM 305 OE1 GLU A 22 -3.120 -38.260 -25.050 1.00100.00 O ATOM 306 OE2 GLU A 22 -2.758 -40.224 -26.037 1.00100.00 O ATOM 0 H GLU A 22 -6.322 -41.889 -24.903 1.00100.00 H new ATOM 0 HA GLU A 22 -4.099 -40.950 -23.493 1.00100.00 H new ATOM 0 HB2 GLU A 22 -6.715 -39.612 -24.380 1.00100.00 H new ATOM 0 HB3 GLU A 22 -5.352 -38.732 -23.718 1.00100.00 H new ATOM 0 HG2 GLU A 22 -5.198 -40.476 -26.216 1.00100.00 H new ATOM 0 HG3 GLU A 22 -5.454 -38.743 -26.248 1.00100.00 H new ATOM 313 N CYS A 23 -6.692 -41.571 -21.695 1.00100.00 N ATOM 314 CA CYS A 23 -7.280 -41.501 -20.376 1.00100.00 C ATOM 315 C CYS A 23 -6.321 -41.628 -19.216 1.00100.00 C ATOM 316 O CYS A 23 -6.477 -40.808 -18.312 1.00100.00 O ATOM 317 CB CYS A 23 -8.367 -42.559 -20.180 1.00100.00 C ATOM 318 SG CYS A 23 -8.937 -42.671 -18.469 1.00100.00 S ATOM 0 H CYS A 23 -7.121 -42.275 -22.295 1.00100.00 H new ATOM 0 HA CYS A 23 -7.686 -40.490 -20.356 1.00100.00 H new ATOM 0 HB2 CYS A 23 -9.214 -42.327 -20.826 1.00100.00 H new ATOM 0 HB3 CYS A 23 -7.983 -43.530 -20.494 1.00100.00 H new ATOM 0 HG CYS A 23 -9.994 -41.930 -18.314 1.00100.00 H new ATOM 324 N PRO A 24 -5.321 -42.571 -19.147 1.00100.00 N ATOM 325 CA PRO A 24 -4.406 -42.615 -18.029 1.00100.00 C ATOM 326 C PRO A 24 -3.592 -41.354 -17.888 1.00100.00 C ATOM 327 O PRO A 24 -3.209 -41.050 -16.757 1.00100.00 O ATOM 328 CB PRO A 24 -3.552 -43.872 -18.205 1.00100.00 C ATOM 329 CG PRO A 24 -3.634 -44.110 -19.716 1.00100.00 C ATOM 330 CD PRO A 24 -5.036 -43.627 -20.087 1.00100.00 C ATOM 0 HA PRO A 24 -4.956 -42.668 -17.089 1.00100.00 H new ATOM 0 HB2 PRO A 24 -2.526 -43.717 -17.872 1.00100.00 H new ATOM 0 HB3 PRO A 24 -3.947 -44.715 -17.638 1.00100.00 H new ATOM 0 HG2 PRO A 24 -2.865 -43.553 -20.251 1.00100.00 H new ATOM 0 HG3 PRO A 24 -3.495 -45.163 -19.963 1.00100.00 H new ATOM 0 HD2 PRO A 24 -5.070 -43.263 -21.114 1.00100.00 H new ATOM 0 HD3 PRO A 24 -5.766 -44.433 -20.010 1.00100.00 H new ATOM 338 N LYS A 25 -3.309 -40.635 -19.013 1.00100.00 N ATOM 339 CA LYS A 25 -2.566 -39.400 -18.983 1.00100.00 C ATOM 340 C LYS A 25 -3.323 -38.388 -18.198 1.00100.00 C ATOM 341 O LYS A 25 -2.725 -37.718 -17.350 1.00100.00 O ATOM 342 CB LYS A 25 -2.271 -38.760 -20.350 1.00100.00 C ATOM 343 CG LYS A 25 -1.472 -39.740 -21.206 1.00100.00 C ATOM 344 CD LYS A 25 -1.079 -39.065 -22.517 1.00100.00 C ATOM 345 CE LYS A 25 -0.292 -40.035 -23.395 1.00100.00 C ATOM 346 NZ LYS A 25 -1.107 -41.202 -23.767 1.00100.00 N ATOM 0 H LYS A 25 -3.601 -40.918 -19.948 1.00100.00 H new ATOM 0 HA LYS A 25 -1.608 -39.676 -18.543 1.00100.00 H new ATOM 0 HB2 LYS A 25 -3.203 -38.499 -20.851 1.00100.00 H new ATOM 0 HB3 LYS A 25 -1.710 -37.835 -20.217 1.00100.00 H new ATOM 0 HG2 LYS A 25 -0.580 -40.065 -20.670 1.00100.00 H new ATOM 0 HG3 LYS A 25 -2.066 -40.632 -21.407 1.00100.00 H new ATOM 0 HD2 LYS A 25 -1.972 -38.729 -23.044 1.00100.00 H new ATOM 0 HD3 LYS A 25 -0.478 -38.179 -22.312 1.00100.00 H new ATOM 0 HE2 LYS A 25 0.045 -39.522 -24.296 1.00100.00 H new ATOM 0 HE3 LYS A 25 0.601 -40.366 -22.865 1.00100.00 H new ATOM 0 HZ1 LYS A 25 -0.618 -41.745 -24.507 1.00100.00 H new ATOM 0 HZ2 LYS A 25 -1.251 -41.805 -22.932 1.00100.00 H new ATOM 0 HZ3 LYS A 25 -2.029 -40.881 -24.126 1.00100.00 H new ATOM 360 N CYS A 26 -4.653 -38.278 -18.453 1.00100.00 N ATOM 361 CA CYS A 26 -5.377 -37.343 -17.668 1.00100.00 C ATOM 362 C CYS A 26 -6.433 -37.908 -16.814 1.00100.00 C ATOM 363 O CYS A 26 -7.528 -38.286 -17.226 1.00100.00 O ATOM 364 CB CYS A 26 -5.812 -36.035 -18.311 1.00100.00 C ATOM 365 SG CYS A 26 -6.786 -35.069 -17.137 1.00100.00 S ATOM 0 H CYS A 26 -5.183 -38.800 -19.151 1.00100.00 H new ATOM 0 HA CYS A 26 -4.559 -37.040 -17.014 1.00100.00 H new ATOM 0 HB2 CYS A 26 -4.937 -35.466 -18.627 1.00100.00 H new ATOM 0 HB3 CYS A 26 -6.401 -36.237 -19.206 1.00100.00 H new ATOM 0 HG CYS A 26 -7.645 -34.338 -17.784 1.00100.00 H new ATOM 371 N SER A 27 -5.982 -37.983 -15.562 1.00100.00 N ATOM 372 CA SER A 27 -6.649 -38.349 -14.354 1.00100.00 C ATOM 373 C SER A 27 -6.213 -37.165 -13.484 1.00100.00 C ATOM 374 O SER A 27 -6.108 -37.264 -12.260 1.00100.00 O ATOM 375 CB SER A 27 -6.084 -39.667 -13.779 1.00100.00 C ATOM 376 OG SER A 27 -6.299 -40.711 -14.705 1.00100.00 O ATOM 0 H SER A 27 -5.007 -37.753 -15.368 1.00100.00 H new ATOM 0 HA SER A 27 -7.722 -38.518 -14.444 1.00100.00 H new ATOM 0 HB2 SER A 27 -5.019 -39.561 -13.575 1.00100.00 H new ATOM 0 HB3 SER A 27 -6.569 -39.901 -12.831 1.00100.00 H new ATOM 0 HG SER A 27 -5.940 -41.548 -14.343 1.00100.00 H new ATOM 382 N ALA A 28 -5.975 -35.996 -14.144 1.00100.00 N ATOM 383 CA ALA A 28 -5.503 -34.761 -13.621 1.00100.00 C ATOM 384 C ALA A 28 -6.517 -34.042 -12.807 1.00100.00 C ATOM 385 O ALA A 28 -7.708 -34.345 -12.837 1.00100.00 O ATOM 386 CB ALA A 28 -4.967 -33.810 -14.714 1.00100.00 C ATOM 0 H ALA A 28 -6.137 -35.930 -15.149 1.00100.00 H new ATOM 0 HA ALA A 28 -4.678 -35.047 -12.969 1.00100.00 H new ATOM 0 HB1 ALA A 28 -4.621 -32.885 -14.253 1.00100.00 H new ATOM 0 HB2 ALA A 28 -4.138 -34.287 -15.237 1.00100.00 H new ATOM 0 HB3 ALA A 28 -5.763 -33.586 -15.424 1.00100.00 H new ATOM 392 N LEU A 29 -6.012 -33.011 -12.105 1.00100.00 N ATOM 393 CA LEU A 29 -6.718 -32.175 -11.190 1.00100.00 C ATOM 394 C LEU A 29 -7.895 -31.480 -11.795 1.00100.00 C ATOM 395 O LEU A 29 -8.902 -31.341 -11.098 1.00100.00 O ATOM 396 CB LEU A 29 -5.811 -31.064 -10.624 1.00100.00 C ATOM 397 CG LEU A 29 -4.576 -31.644 -9.927 1.00100.00 C ATOM 398 CD1 LEU A 29 -3.699 -30.494 -9.437 1.00100.00 C ATOM 399 CD2 LEU A 29 -4.979 -32.509 -8.733 1.00100.00 C ATOM 0 H LEU A 29 -5.031 -32.744 -12.187 1.00100.00 H new ATOM 0 HA LEU A 29 -7.056 -32.861 -10.413 1.00100.00 H new ATOM 0 HB2 LEU A 29 -5.497 -30.403 -11.432 1.00100.00 H new ATOM 0 HB3 LEU A 29 -6.377 -30.457 -9.917 1.00100.00 H new ATOM 0 HG LEU A 29 -4.032 -32.266 -10.638 1.00100.00 H new ATOM 0 HD11 LEU A 29 -2.817 -30.896 -8.939 1.00100.00 H new ATOM 0 HD12 LEU A 29 -3.390 -29.884 -10.286 1.00100.00 H new ATOM 0 HD13 LEU A 29 -4.263 -29.880 -8.735 1.00100.00 H new ATOM 0 HD21 LEU A 29 -4.085 -32.909 -8.255 1.00100.00 H new ATOM 0 HD22 LEU A 29 -5.534 -31.904 -8.016 1.00100.00 H new ATOM 0 HD23 LEU A 29 -5.606 -33.332 -9.075 1.00100.00 H new ATOM 411 N GLN A 30 -7.837 -31.061 -13.085 1.00100.00 N ATOM 412 CA GLN A 30 -8.941 -30.352 -13.688 1.00100.00 C ATOM 413 C GLN A 30 -10.252 -31.090 -13.781 1.00100.00 C ATOM 414 O GLN A 30 -11.260 -30.536 -13.342 1.00100.00 O ATOM 415 CB GLN A 30 -8.625 -29.840 -15.103 1.00100.00 C ATOM 416 CG GLN A 30 -7.318 -29.050 -15.132 1.00100.00 C ATOM 417 CD GLN A 30 -7.067 -28.474 -16.521 1.00100.00 C ATOM 418 OE1 GLN A 30 -7.472 -29.060 -17.523 1.00100.00 O ATOM 419 NE2 GLN A 30 -6.398 -27.321 -16.578 1.00100.00 N ATOM 0 H GLN A 30 -7.039 -31.210 -13.702 1.00100.00 H new ATOM 0 HA GLN A 30 -9.067 -29.536 -12.977 1.00100.00 H new ATOM 0 HB2 GLN A 30 -8.557 -30.684 -15.790 1.00100.00 H new ATOM 0 HB3 GLN A 30 -9.441 -29.208 -15.454 1.00100.00 H new ATOM 0 HG2 GLN A 30 -7.359 -28.243 -14.400 1.00100.00 H new ATOM 0 HG3 GLN A 30 -6.489 -29.698 -14.846 1.00100.00 H new ATOM 0 HE21 GLN A 30 -6.082 -26.872 -15.719 1.00100.00 H new ATOM 0 HE22 GLN A 30 -6.203 -26.889 -17.481 1.00100.00 H new ATOM 428 N TYR A 31 -10.268 -32.348 -14.309 1.00100.00 N ATOM 429 CA TYR A 31 -11.457 -33.181 -14.472 1.00100.00 C ATOM 430 C TYR A 31 -12.590 -32.427 -15.173 1.00100.00 C ATOM 431 O TYR A 31 -13.762 -32.585 -14.814 1.00100.00 O ATOM 432 CB TYR A 31 -12.047 -33.786 -13.156 1.00100.00 C ATOM 433 CG TYR A 31 -11.058 -34.623 -12.380 1.00100.00 C ATOM 434 CD1 TYR A 31 -10.708 -35.898 -12.845 1.00100.00 C ATOM 435 CD2 TYR A 31 -10.504 -34.129 -11.191 1.00100.00 C ATOM 436 CE1 TYR A 31 -9.807 -36.687 -12.117 1.00100.00 C ATOM 437 CE2 TYR A 31 -9.603 -34.911 -10.457 1.00100.00 C ATOM 438 CZ TYR A 31 -9.254 -36.196 -10.916 1.00100.00 C ATOM 439 OH TYR A 31 -8.382 -36.964 -10.202 1.00100.00 O ATOM 0 H TYR A 31 -9.419 -32.808 -14.637 1.00100.00 H new ATOM 0 HA TYR A 31 -11.086 -34.008 -15.078 1.00100.00 H new ATOM 0 HB2 TYR A 31 -12.402 -32.975 -12.520 1.00100.00 H new ATOM 0 HB3 TYR A 31 -12.913 -34.399 -13.404 1.00100.00 H new ATOM 0 HD1 TYR A 31 -11.133 -36.273 -13.765 1.00100.00 H new ATOM 0 HD2 TYR A 31 -10.772 -33.143 -10.840 1.00100.00 H new ATOM 0 HE1 TYR A 31 -9.537 -37.669 -12.475 1.00100.00 H new ATOM 0 HE2 TYR A 31 -9.177 -34.529 -9.541 1.00100.00 H new ATOM 0 HH TYR A 31 -7.587 -37.147 -10.745 1.00100.00 H new ATOM 449 N ARG A 32 -12.282 -31.622 -16.220 1.00100.00 N ATOM 450 CA ARG A 32 -13.280 -30.802 -16.881 1.00100.00 C ATOM 451 C ARG A 32 -14.460 -31.450 -17.552 1.00100.00 C ATOM 452 O ARG A 32 -15.582 -31.000 -17.305 1.00100.00 O ATOM 453 CB ARG A 32 -12.677 -29.808 -17.887 1.00100.00 C ATOM 454 CG ARG A 32 -11.644 -28.923 -17.197 1.00100.00 C ATOM 455 CD ARG A 32 -11.083 -27.901 -18.179 1.00100.00 C ATOM 456 NE ARG A 32 -10.182 -26.966 -17.500 1.00100.00 N ATOM 457 CZ ARG A 32 -9.452 -26.043 -18.142 1.00100.00 C ATOM 458 NH1 ARG A 32 -9.488 -25.954 -19.479 1.00100.00 N ATOM 459 NH2 ARG A 32 -8.683 -25.199 -17.440 1.00100.00 N ATOM 0 H ARG A 32 -11.344 -31.536 -16.612 1.00100.00 H new ATOM 0 HA ARG A 32 -13.687 -30.320 -15.992 1.00100.00 H new ATOM 0 HB2 ARG A 32 -12.211 -30.350 -18.710 1.00100.00 H new ATOM 0 HB3 ARG A 32 -13.466 -29.191 -18.318 1.00100.00 H new ATOM 0 HG2 ARG A 32 -12.101 -28.411 -16.350 1.00100.00 H new ATOM 0 HG3 ARG A 32 -10.836 -29.537 -16.800 1.00100.00 H new ATOM 0 HD2 ARG A 32 -10.547 -28.414 -18.978 1.00100.00 H new ATOM 0 HD3 ARG A 32 -11.901 -27.351 -18.645 1.00100.00 H new ATOM 0 HE ARG A 32 -10.106 -27.020 -16.484 1.00100.00 H new ATOM 0 HH11 ARG A 32 -10.075 -26.592 -20.017 1.00100.00 H new ATOM 0 HH12 ARG A 32 -8.929 -25.248 -19.958 1.00100.00 H new ATOM 0 HH21 ARG A 32 -8.655 -25.261 -16.422 1.00100.00 H new ATOM 0 HH22 ARG A 32 -8.126 -24.495 -17.924 1.00100.00 H new ATOM 473 N ASN A 33 -14.269 -32.502 -18.389 1.00100.00 N ATOM 474 CA ASN A 33 -15.416 -33.109 -19.016 1.00100.00 C ATOM 475 C ASN A 33 -15.183 -34.594 -19.069 1.00100.00 C ATOM 476 O ASN A 33 -15.776 -35.318 -18.270 1.00100.00 O ATOM 477 CB ASN A 33 -15.734 -32.526 -20.418 1.00100.00 C ATOM 478 CG ASN A 33 -17.045 -33.072 -20.976 1.00100.00 C ATOM 479 OD1 ASN A 33 -17.619 -34.015 -20.436 1.00100.00 O ATOM 480 ND2 ASN A 33 -17.525 -32.465 -22.063 1.00100.00 N ATOM 0 H ASN A 33 -13.366 -32.915 -18.623 1.00100.00 H new ATOM 0 HA ASN A 33 -16.300 -32.883 -18.419 1.00100.00 H new ATOM 0 HB2 ASN A 33 -15.791 -31.439 -20.355 1.00100.00 H new ATOM 0 HB3 ASN A 33 -14.920 -32.764 -21.103 1.00100.00 H new ATOM 0 HD21 ASN A 33 -18.402 -32.781 -22.478 1.00100.00 H new ATOM 0 HD22 ASN A 33 -17.015 -31.685 -22.479 1.00100.00 H new ATOM 487 N GLY A 34 -14.319 -35.081 -20.000 1.00100.00 N ATOM 488 CA GLY A 34 -14.035 -36.490 -20.080 1.00100.00 C ATOM 489 C GLY A 34 -12.845 -36.732 -20.951 1.00100.00 C ATOM 490 O GLY A 34 -12.914 -36.524 -22.157 1.00100.00 O ATOM 0 H GLY A 34 -13.827 -34.507 -20.684 1.00100.00 H new ATOM 0 HA2 GLY A 34 -13.850 -36.888 -19.082 1.00100.00 H new ATOM 0 HA3 GLY A 34 -14.900 -37.020 -20.479 1.00100.00 H new ATOM 494 N PHE A 35 -11.751 -37.298 -20.393 1.00100.00 N ATOM 495 CA PHE A 35 -10.516 -37.543 -21.099 1.00100.00 C ATOM 496 C PHE A 35 -10.666 -38.721 -22.022 1.00100.00 C ATOM 497 O PHE A 35 -9.744 -38.983 -22.785 1.00100.00 O ATOM 498 CB PHE A 35 -9.301 -37.723 -20.166 1.00100.00 C ATOM 499 CG PHE A 35 -8.070 -37.056 -20.738 1.00100.00 C ATOM 500 CD1 PHE A 35 -8.012 -35.658 -20.804 1.00100.00 C ATOM 501 CD2 PHE A 35 -6.990 -37.813 -21.201 1.00100.00 C ATOM 502 CE1 PHE A 35 -6.885 -35.014 -21.331 1.00100.00 C ATOM 503 CE2 PHE A 35 -5.850 -37.170 -21.709 1.00100.00 C ATOM 504 CZ PHE A 35 -5.800 -35.773 -21.785 1.00100.00 C ATOM 0 H PHE A 35 -11.722 -37.596 -19.418 1.00100.00 H new ATOM 0 HA PHE A 35 -10.311 -36.649 -21.687 1.00100.00 H new ATOM 0 HB2 PHE A 35 -9.525 -37.300 -19.187 1.00100.00 H new ATOM 0 HB3 PHE A 35 -9.107 -38.785 -20.018 1.00100.00 H new ATOM 0 HD1 PHE A 35 -8.844 -35.071 -20.445 1.00100.00 H new ATOM 0 HD2 PHE A 35 -7.032 -38.892 -21.168 1.00100.00 H new ATOM 0 HE1 PHE A 35 -6.853 -33.936 -21.387 1.00100.00 H new ATOM 0 HE2 PHE A 35 -5.007 -37.756 -22.043 1.00100.00 H new ATOM 0 HZ PHE A 35 -4.928 -35.283 -22.192 1.00100.00 H new ATOM 514 N TYR A 36 -11.769 -39.504 -21.918 1.00100.00 N ATOM 515 CA TYR A 36 -12.019 -40.570 -22.854 1.00100.00 C ATOM 516 C TYR A 36 -13.048 -40.033 -23.839 1.00100.00 C ATOM 517 O TYR A 36 -13.124 -40.531 -24.961 1.00100.00 O ATOM 518 CB TYR A 36 -12.829 -41.819 -22.398 1.00100.00 C ATOM 519 CG TYR A 36 -12.329 -42.835 -21.392 1.00100.00 C ATOM 520 CD1 TYR A 36 -11.704 -44.010 -21.814 1.00100.00 C ATOM 521 CD2 TYR A 36 -12.728 -42.746 -20.060 1.00100.00 C ATOM 522 CE1 TYR A 36 -11.275 -44.971 -20.888 1.00100.00 C ATOM 523 CE2 TYR A 36 -12.352 -43.711 -19.118 1.00100.00 C ATOM 524 CZ TYR A 36 -11.581 -44.815 -19.524 1.00100.00 C ATOM 525 OH TYR A 36 -11.190 -45.756 -18.618 1.00100.00 O ATOM 0 H TYR A 36 -12.479 -39.400 -21.194 1.00100.00 H new ATOM 0 HA TYR A 36 -11.009 -40.857 -23.146 1.00100.00 H new ATOM 0 HB2 TYR A 36 -13.773 -41.442 -22.005 1.00100.00 H new ATOM 0 HB3 TYR A 36 -13.061 -42.378 -23.304 1.00100.00 H new ATOM 0 HD1 TYR A 36 -11.549 -44.181 -22.869 1.00100.00 H new ATOM 0 HD2 TYR A 36 -13.341 -41.914 -19.747 1.00100.00 H new ATOM 0 HE1 TYR A 36 -10.711 -45.829 -21.221 1.00100.00 H new ATOM 0 HE2 TYR A 36 -12.652 -43.608 -18.086 1.00100.00 H new ATOM 0 HH TYR A 36 -11.483 -45.489 -17.722 1.00100.00 H new ATOM 535 N LEU A 37 -13.775 -38.937 -23.470 1.00100.00 N ATOM 536 CA LEU A 37 -14.891 -38.410 -24.207 1.00100.00 C ATOM 537 C LEU A 37 -14.750 -37.965 -25.606 1.00100.00 C ATOM 538 O LEU A 37 -15.579 -38.424 -26.387 1.00100.00 O ATOM 539 CB LEU A 37 -15.624 -37.258 -23.453 1.00100.00 C ATOM 540 CG LEU A 37 -16.931 -36.790 -24.102 1.00100.00 C ATOM 541 CD1 LEU A 37 -18.038 -37.832 -23.952 1.00100.00 C ATOM 542 CD2 LEU A 37 -17.387 -35.510 -23.407 1.00100.00 C ATOM 0 H LEU A 37 -13.570 -38.405 -22.624 1.00100.00 H new ATOM 0 HA LEU A 37 -15.449 -39.344 -24.273 1.00100.00 H new ATOM 0 HB2 LEU A 37 -15.838 -37.588 -22.436 1.00100.00 H new ATOM 0 HB3 LEU A 37 -14.948 -36.406 -23.376 1.00100.00 H new ATOM 0 HG LEU A 37 -16.746 -36.628 -25.164 1.00100.00 H new ATOM 0 HD11 LEU A 37 -18.949 -37.465 -24.424 1.00100.00 H new ATOM 0 HD12 LEU A 37 -17.730 -38.762 -24.431 1.00100.00 H new ATOM 0 HD13 LEU A 37 -18.226 -38.014 -22.894 1.00100.00 H new ATOM 0 HD21 LEU A 37 -18.317 -35.163 -23.857 1.00100.00 H new ATOM 0 HD22 LEU A 37 -17.549 -35.709 -22.348 1.00100.00 H new ATOM 0 HD23 LEU A 37 -16.621 -34.743 -23.519 1.00100.00 H new ATOM 554 N LEU A 38 -13.745 -37.150 -26.003 1.00100.00 N ATOM 555 CA LEU A 38 -13.742 -36.737 -27.388 1.00100.00 C ATOM 556 C LEU A 38 -13.596 -37.816 -28.399 1.00100.00 C ATOM 557 O LEU A 38 -14.296 -37.782 -29.413 1.00100.00 O ATOM 558 CB LEU A 38 -12.818 -35.580 -27.817 1.00100.00 C ATOM 559 CG LEU A 38 -13.188 -34.259 -27.141 1.00100.00 C ATOM 560 CD1 LEU A 38 -12.260 -33.171 -27.679 1.00100.00 C ATOM 561 CD2 LEU A 38 -14.633 -33.853 -27.437 1.00100.00 C ATOM 0 H LEU A 38 -12.987 -36.797 -25.419 1.00100.00 H new ATOM 0 HA LEU A 38 -14.762 -36.354 -27.387 1.00100.00 H new ATOM 0 HB2 LEU A 38 -11.786 -35.833 -27.574 1.00100.00 H new ATOM 0 HB3 LEU A 38 -12.870 -35.459 -28.899 1.00100.00 H new ATOM 0 HG LEU A 38 -13.084 -34.383 -26.063 1.00100.00 H new ATOM 0 HD11 LEU A 38 -12.506 -32.218 -27.210 1.00100.00 H new ATOM 0 HD12 LEU A 38 -11.226 -33.430 -27.453 1.00100.00 H new ATOM 0 HD13 LEU A 38 -12.385 -33.087 -28.759 1.00100.00 H new ATOM 0 HD21 LEU A 38 -14.855 -32.910 -26.938 1.00100.00 H new ATOM 0 HD22 LEU A 38 -14.765 -33.735 -28.513 1.00100.00 H new ATOM 0 HD23 LEU A 38 -15.310 -34.625 -27.071 1.00100.00 H new ATOM 573 N LYS A 39 -12.715 -38.800 -28.135 1.00100.00 N ATOM 574 CA LYS A 39 -12.522 -39.827 -29.098 1.00100.00 C ATOM 575 C LYS A 39 -12.465 -41.193 -28.500 1.00100.00 C ATOM 576 O LYS A 39 -11.712 -41.477 -27.570 1.00100.00 O ATOM 577 CB LYS A 39 -11.245 -39.530 -29.919 1.00100.00 C ATOM 578 CG LYS A 39 -11.015 -40.552 -31.029 1.00100.00 C ATOM 579 CD LYS A 39 -9.780 -40.127 -31.825 1.00100.00 C ATOM 580 CE LYS A 39 -9.515 -41.111 -32.960 1.00100.00 C ATOM 581 NZ LYS A 39 -8.330 -40.711 -33.734 1.00100.00 N ATOM 0 H LYS A 39 -12.157 -38.880 -27.285 1.00100.00 H new ATOM 0 HA LYS A 39 -13.393 -39.826 -29.753 1.00100.00 H new ATOM 0 HB2 LYS A 39 -11.321 -38.534 -30.356 1.00100.00 H new ATOM 0 HB3 LYS A 39 -10.382 -39.521 -29.253 1.00100.00 H new ATOM 0 HG2 LYS A 39 -10.870 -41.546 -30.606 1.00100.00 H new ATOM 0 HG3 LYS A 39 -11.887 -40.607 -31.681 1.00100.00 H new ATOM 0 HD2 LYS A 39 -9.927 -39.126 -32.230 1.00100.00 H new ATOM 0 HD3 LYS A 39 -8.913 -40.080 -31.166 1.00100.00 H new ATOM 0 HE2 LYS A 39 -9.368 -42.111 -32.553 1.00100.00 H new ATOM 0 HE3 LYS A 39 -10.384 -41.159 -33.616 1.00100.00 H new ATOM 0 HZ1 LYS A 39 -8.169 -41.395 -34.501 1.00100.00 H new ATOM 0 HZ2 LYS A 39 -8.483 -39.766 -34.140 1.00100.00 H new ATOM 0 HZ3 LYS A 39 -7.499 -40.689 -33.110 1.00100.00 H new ATOM 595 N TYR A 40 -13.323 -42.067 -29.044 1.00100.00 N ATOM 596 CA TYR A 40 -13.382 -43.458 -28.692 1.00100.00 C ATOM 597 C TYR A 40 -13.018 -44.212 -29.968 1.00100.00 C ATOM 598 O TYR A 40 -12.901 -45.439 -29.961 1.00100.00 O ATOM 599 CB TYR A 40 -14.783 -43.876 -28.180 1.00100.00 C ATOM 600 CG TYR A 40 -14.864 -45.308 -27.711 1.00100.00 C ATOM 601 CD1 TYR A 40 -14.102 -45.723 -26.610 1.00100.00 C ATOM 602 CD2 TYR A 40 -15.708 -46.215 -28.367 1.00100.00 C ATOM 603 CE1 TYR A 40 -14.173 -47.050 -26.166 1.00100.00 C ATOM 604 CE2 TYR A 40 -15.785 -47.544 -27.931 1.00100.00 C ATOM 605 CZ TYR A 40 -15.014 -47.967 -26.829 1.00100.00 C ATOM 606 OH TYR A 40 -15.085 -49.261 -26.402 1.00100.00 O ATOM 0 H TYR A 40 -14.004 -41.802 -29.756 1.00100.00 H new ATOM 0 HA TYR A 40 -12.700 -43.682 -27.872 1.00100.00 H new ATOM 0 HB2 TYR A 40 -15.069 -43.219 -27.359 1.00100.00 H new ATOM 0 HB3 TYR A 40 -15.510 -43.724 -28.978 1.00100.00 H new ATOM 0 HD1 TYR A 40 -13.459 -45.019 -26.103 1.00100.00 H new ATOM 0 HD2 TYR A 40 -16.300 -45.889 -29.210 1.00100.00 H new ATOM 0 HE1 TYR A 40 -13.585 -47.370 -25.318 1.00100.00 H new ATOM 0 HE2 TYR A 40 -16.434 -48.243 -28.438 1.00100.00 H new ATOM 0 HH TYR A 40 -15.712 -49.758 -26.968 1.00100.00 H new ATOM 616 N ASP A 41 -12.745 -43.468 -31.078 1.00100.00 N ATOM 617 CA ASP A 41 -12.411 -43.951 -32.396 1.00100.00 C ATOM 618 C ASP A 41 -13.500 -44.857 -32.931 1.00100.00 C ATOM 619 O ASP A 41 -13.261 -45.945 -33.462 1.00100.00 O ATOM 620 CB ASP A 41 -10.991 -44.595 -32.471 1.00100.00 C ATOM 621 CG ASP A 41 -10.614 -44.977 -33.898 1.00100.00 C ATOM 622 OD1 ASP A 41 -11.043 -44.250 -34.820 1.00100.00 O ATOM 623 OD2 ASP A 41 -9.900 -45.993 -34.039 1.00100.00 O ATOM 0 H ASP A 41 -12.761 -42.449 -31.044 1.00100.00 H new ATOM 0 HA ASP A 41 -12.358 -43.083 -33.053 1.00100.00 H new ATOM 0 HB2 ASP A 41 -10.254 -43.896 -32.076 1.00100.00 H new ATOM 0 HB3 ASP A 41 -10.961 -45.482 -31.838 1.00100.00 H new ATOM 628 N GLU A 42 -14.754 -44.388 -32.764 1.00100.00 N ATOM 629 CA GLU A 42 -15.929 -45.076 -33.216 1.00100.00 C ATOM 630 C GLU A 42 -16.419 -44.268 -34.382 1.00100.00 C ATOM 631 O GLU A 42 -16.449 -43.036 -34.328 1.00100.00 O ATOM 632 CB GLU A 42 -17.028 -45.159 -32.135 1.00100.00 C ATOM 633 CG GLU A 42 -18.252 -45.954 -32.579 1.00100.00 C ATOM 634 CD GLU A 42 -19.242 -46.086 -31.425 1.00100.00 C ATOM 635 OE1 GLU A 42 -18.799 -46.531 -30.343 1.00100.00 O ATOM 636 OE2 GLU A 42 -20.422 -45.735 -31.640 1.00100.00 O ATOM 0 H GLU A 42 -14.956 -43.502 -32.300 1.00100.00 H new ATOM 0 HA GLU A 42 -15.694 -46.109 -33.471 1.00100.00 H new ATOM 0 HB2 GLU A 42 -16.612 -45.617 -31.238 1.00100.00 H new ATOM 0 HB3 GLU A 42 -17.338 -44.150 -31.863 1.00100.00 H new ATOM 0 HG2 GLU A 42 -18.730 -45.458 -33.423 1.00100.00 H new ATOM 0 HG3 GLU A 42 -17.948 -46.943 -32.922 1.00100.00 H new ATOM 706 N PRO A 46 -21.942 -42.845 -40.920 1.00100.00 N ATOM 707 CA PRO A 46 -21.388 -43.120 -42.228 1.00100.00 C ATOM 708 C PRO A 46 -22.533 -43.195 -43.215 1.00100.00 C ATOM 709 O PRO A 46 -22.897 -44.281 -43.663 1.00100.00 O ATOM 710 CB PRO A 46 -20.624 -44.430 -42.031 1.00100.00 C ATOM 711 CG PRO A 46 -21.482 -45.164 -41.002 1.00100.00 C ATOM 712 CD PRO A 46 -21.948 -44.031 -40.089 1.00100.00 C ATOM 0 HA PRO A 46 -20.713 -42.364 -42.630 1.00100.00 H new ATOM 0 HB2 PRO A 46 -20.536 -44.992 -42.961 1.00100.00 H new ATOM 0 HB3 PRO A 46 -19.611 -44.258 -41.666 1.00100.00 H new ATOM 0 HG2 PRO A 46 -22.321 -45.680 -41.468 1.00100.00 H new ATOM 0 HG3 PRO A 46 -20.909 -45.914 -40.457 1.00100.00 H new ATOM 0 HD2 PRO A 46 -22.944 -44.229 -39.693 1.00100.00 H new ATOM 0 HD3 PRO A 46 -21.282 -43.916 -39.234 1.00100.00 H new ATOM 720 N GLU A 47 -23.092 -42.018 -43.574 1.00100.00 N ATOM 721 CA GLU A 47 -24.223 -41.879 -44.455 1.00100.00 C ATOM 722 C GLU A 47 -23.965 -42.450 -45.815 1.00100.00 C ATOM 723 O GLU A 47 -24.820 -43.164 -46.342 1.00100.00 O ATOM 724 CB GLU A 47 -24.621 -40.403 -44.607 1.00100.00 C ATOM 725 CG GLU A 47 -25.024 -39.833 -43.247 1.00100.00 C ATOM 726 CD GLU A 47 -25.484 -38.385 -43.356 1.00100.00 C ATOM 727 OE1 GLU A 47 -24.886 -37.654 -44.176 1.00100.00 O ATOM 728 OE2 GLU A 47 -26.422 -38.033 -42.609 1.00100.00 O ATOM 0 H GLU A 47 -22.741 -41.122 -43.236 1.00100.00 H new ATOM 0 HA GLU A 47 -25.036 -42.441 -43.995 1.00100.00 H new ATOM 0 HB2 GLU A 47 -23.788 -39.833 -45.018 1.00100.00 H new ATOM 0 HB3 GLU A 47 -25.449 -40.311 -45.310 1.00100.00 H new ATOM 0 HG2 GLU A 47 -25.825 -40.438 -42.822 1.00100.00 H new ATOM 0 HG3 GLU A 47 -24.179 -39.896 -42.561 1.00100.00 H new ATOM 735 N GLU A 48 -22.773 -42.179 -46.395 1.00100.00 N ATOM 736 CA GLU A 48 -22.404 -42.687 -47.691 1.00100.00 C ATOM 737 C GLU A 48 -22.323 -44.186 -47.692 1.00100.00 C ATOM 738 O GLU A 48 -22.790 -44.817 -48.639 1.00100.00 O ATOM 739 CB GLU A 48 -21.083 -42.111 -48.229 1.00100.00 C ATOM 740 CG GLU A 48 -21.170 -40.591 -48.365 1.00100.00 C ATOM 741 CD GLU A 48 -19.926 -40.026 -49.042 1.00100.00 C ATOM 742 OE1 GLU A 48 -18.827 -40.553 -48.759 1.00100.00 O ATOM 743 OE2 GLU A 48 -20.097 -39.075 -49.835 1.00100.00 O ATOM 0 H GLU A 48 -22.056 -41.600 -45.959 1.00100.00 H new ATOM 0 HA GLU A 48 -23.201 -42.358 -48.358 1.00100.00 H new ATOM 0 HB2 GLU A 48 -20.266 -42.375 -47.558 1.00100.00 H new ATOM 0 HB3 GLU A 48 -20.855 -42.555 -49.198 1.00100.00 H new ATOM 0 HG2 GLU A 48 -22.055 -40.325 -48.944 1.00100.00 H new ATOM 0 HG3 GLU A 48 -21.287 -40.141 -47.379 1.00100.00 H new ATOM 750 N LEU A 49 -21.739 -44.780 -46.619 1.00100.00 N ATOM 751 CA LEU A 49 -21.605 -46.211 -46.472 1.00100.00 C ATOM 752 C LEU A 49 -22.950 -46.877 -46.351 1.00100.00 C ATOM 753 O LEU A 49 -23.163 -47.942 -46.932 1.00100.00 O ATOM 754 CB LEU A 49 -20.723 -46.642 -45.280 1.00100.00 C ATOM 755 CG LEU A 49 -19.344 -45.973 -45.314 1.00100.00 C ATOM 756 CD1 LEU A 49 -18.480 -46.541 -44.187 1.00100.00 C ATOM 757 CD2 LEU A 49 -18.636 -46.226 -46.645 1.00100.00 C ATOM 0 H LEU A 49 -21.351 -44.253 -45.836 1.00100.00 H new ATOM 0 HA LEU A 49 -21.102 -46.537 -47.382 1.00100.00 H new ATOM 0 HB2 LEU A 49 -21.226 -46.389 -44.347 1.00100.00 H new ATOM 0 HB3 LEU A 49 -20.601 -47.725 -45.292 1.00100.00 H new ATOM 0 HG LEU A 49 -19.486 -44.899 -45.191 1.00100.00 H new ATOM 0 HD11 LEU A 49 -17.498 -46.068 -44.207 1.00100.00 H new ATOM 0 HD12 LEU A 49 -18.958 -46.344 -43.227 1.00100.00 H new ATOM 0 HD13 LEU A 49 -18.367 -47.617 -44.322 1.00100.00 H new ATOM 0 HD21 LEU A 49 -17.661 -45.738 -46.637 1.00100.00 H new ATOM 0 HD22 LEU A 49 -18.504 -47.298 -46.789 1.00100.00 H new ATOM 0 HD23 LEU A 49 -19.237 -45.822 -47.459 1.00100.00 H new ATOM 769 N LEU A 50 -23.883 -46.248 -45.591 1.00100.00 N ATOM 770 CA LEU A 50 -25.228 -46.736 -45.381 1.00100.00 C ATOM 771 C LEU A 50 -25.978 -46.776 -46.689 1.00100.00 C ATOM 772 O LEU A 50 -26.692 -47.744 -46.958 1.00100.00 O ATOM 773 CB LEU A 50 -26.033 -45.874 -44.383 1.00100.00 C ATOM 774 CG LEU A 50 -25.492 -46.017 -42.957 1.00100.00 C ATOM 775 CD1 LEU A 50 -26.117 -44.939 -42.074 1.00100.00 C ATOM 776 CD2 LEU A 50 -25.830 -47.393 -42.384 1.00100.00 C ATOM 0 H LEU A 50 -23.695 -45.370 -45.106 1.00100.00 H new ATOM 0 HA LEU A 50 -25.126 -47.736 -44.959 1.00100.00 H new ATOM 0 HB2 LEU A 50 -25.990 -44.828 -44.687 1.00100.00 H new ATOM 0 HB3 LEU A 50 -27.082 -46.170 -44.407 1.00100.00 H new ATOM 0 HG LEU A 50 -24.408 -45.906 -42.981 1.00100.00 H new ATOM 0 HD11 LEU A 50 -25.736 -45.035 -41.057 1.00100.00 H new ATOM 0 HD12 LEU A 50 -25.861 -43.954 -42.466 1.00100.00 H new ATOM 0 HD13 LEU A 50 -27.201 -45.057 -42.068 1.00100.00 H new ATOM 0 HD21 LEU A 50 -25.436 -47.472 -41.371 1.00100.00 H new ATOM 0 HD22 LEU A 50 -26.912 -47.523 -42.364 1.00100.00 H new ATOM 0 HD23 LEU A 50 -25.383 -48.167 -43.008 1.00100.00 H new ATOM 805 N ASP A 52 -26.628 -47.332 -50.557 1.00100.00 N ATOM 806 CA ASP A 52 -26.146 -48.326 -51.487 1.00100.00 C ATOM 807 C ASP A 52 -25.458 -47.649 -52.637 1.00100.00 C ATOM 808 O ASP A 52 -25.957 -46.662 -53.184 1.00100.00 O ATOM 809 CB ASP A 52 -27.249 -49.246 -52.056 1.00100.00 C ATOM 810 CG ASP A 52 -28.000 -49.962 -50.940 1.00100.00 C ATOM 811 OD1 ASP A 52 -27.323 -50.381 -49.975 1.00100.00 O ATOM 812 OD2 ASP A 52 -29.237 -50.075 -51.071 1.00100.00 O ATOM 0 HA ASP A 52 -25.462 -48.957 -50.919 1.00100.00 H new ATOM 0 HB2 ASP A 52 -27.949 -48.656 -52.648 1.00100.00 H new ATOM 0 HB3 ASP A 52 -26.803 -49.980 -52.727 1.00100.00 H new ATOM 817 N GLY A 53 -24.273 -48.181 -53.006 1.00100.00 N ATOM 818 CA GLY A 53 -23.490 -47.637 -54.083 1.00100.00 C ATOM 819 C GLY A 53 -22.129 -48.258 -54.076 1.00100.00 C ATOM 820 O GLY A 53 -21.920 -49.339 -53.521 1.00100.00 O ATOM 0 H GLY A 53 -23.854 -48.994 -52.555 1.00100.00 H new ATOM 0 HA2 GLY A 53 -23.983 -47.827 -55.037 1.00100.00 H new ATOM 0 HA3 GLY A 53 -23.408 -46.555 -53.976 1.00100.00 H new ATOM 824 N GLU A 54 -21.175 -47.564 -54.739 1.00100.00 N ATOM 825 CA GLU A 54 -19.795 -47.973 -54.852 1.00100.00 C ATOM 826 C GLU A 54 -19.099 -47.866 -53.522 1.00100.00 C ATOM 827 O GLU A 54 -19.459 -47.043 -52.678 1.00100.00 O ATOM 828 CB GLU A 54 -18.978 -47.161 -55.877 1.00100.00 C ATOM 829 CG GLU A 54 -19.572 -47.158 -57.286 1.00100.00 C ATOM 830 CD GLU A 54 -20.680 -46.124 -57.465 1.00100.00 C ATOM 831 OE1 GLU A 54 -20.901 -45.332 -56.522 1.00100.00 O ATOM 832 OE2 GLU A 54 -21.279 -46.133 -58.561 1.00100.00 O ATOM 0 H GLU A 54 -21.370 -46.684 -55.216 1.00100.00 H new ATOM 0 HA GLU A 54 -19.838 -49.005 -55.200 1.00100.00 H new ATOM 0 HB2 GLU A 54 -18.895 -46.132 -55.527 1.00100.00 H new ATOM 0 HB3 GLU A 54 -17.967 -47.565 -55.921 1.00100.00 H new ATOM 0 HG2 GLU A 54 -18.779 -46.961 -58.008 1.00100.00 H new ATOM 0 HG3 GLU A 54 -19.968 -48.149 -57.509 1.00100.00 H new ATOM 839 N ASP A 55 -18.094 -48.746 -53.316 1.00100.00 N ATOM 840 CA ASP A 55 -17.321 -48.827 -52.101 1.00100.00 C ATOM 841 C ASP A 55 -16.528 -47.597 -51.786 1.00100.00 C ATOM 842 O ASP A 55 -16.525 -47.155 -50.635 1.00100.00 O ATOM 843 CB ASP A 55 -16.348 -50.027 -52.094 1.00100.00 C ATOM 844 CG ASP A 55 -17.090 -51.338 -52.327 1.00100.00 C ATOM 845 OD1 ASP A 55 -18.167 -51.499 -51.713 1.00100.00 O ATOM 846 OD2 ASP A 55 -16.567 -52.153 -53.117 1.00100.00 O ATOM 0 H ASP A 55 -17.807 -49.427 -54.019 1.00100.00 H new ATOM 0 HA ASP A 55 -18.084 -48.951 -51.333 1.00100.00 H new ATOM 0 HB2 ASP A 55 -15.593 -49.891 -52.868 1.00100.00 H new ATOM 0 HB3 ASP A 55 -15.823 -50.068 -51.140 1.00100.00 H new ATOM 851 N ASP A 56 -15.864 -47.007 -52.809 1.00100.00 N ATOM 852 CA ASP A 56 -15.050 -45.833 -52.614 1.00100.00 C ATOM 853 C ASP A 56 -15.558 -44.720 -53.483 1.00100.00 C ATOM 854 O ASP A 56 -16.207 -44.949 -54.504 1.00100.00 O ATOM 855 CB ASP A 56 -13.557 -46.045 -52.979 1.00100.00 C ATOM 856 CG ASP A 56 -12.892 -47.094 -52.094 1.00100.00 C ATOM 857 OD1 ASP A 56 -13.448 -47.372 -51.009 1.00100.00 O ATOM 858 OD2 ASP A 56 -11.827 -47.593 -52.518 1.00100.00 O ATOM 0 H ASP A 56 -15.891 -47.343 -53.772 1.00100.00 H new ATOM 0 HA ASP A 56 -15.116 -45.599 -51.551 1.00100.00 H new ATOM 0 HB2 ASP A 56 -13.479 -46.350 -54.023 1.00100.00 H new ATOM 0 HB3 ASP A 56 -13.023 -45.100 -52.883 1.00100.00 H new ATOM 863 N VAL A 57 -15.277 -43.465 -53.053 1.00100.00 N ATOM 864 CA VAL A 57 -15.669 -42.248 -53.731 1.00100.00 C ATOM 865 C VAL A 57 -14.995 -42.176 -55.084 1.00100.00 C ATOM 866 O VAL A 57 -15.623 -41.775 -56.066 1.00100.00 O ATOM 867 CB VAL A 57 -15.388 -41.018 -52.866 1.00100.00 C ATOM 868 CG1 VAL A 57 -15.787 -39.746 -53.614 1.00100.00 C ATOM 869 CG2 VAL A 57 -16.188 -41.101 -51.564 1.00100.00 C ATOM 0 H VAL A 57 -14.754 -43.289 -52.195 1.00100.00 H new ATOM 0 HA VAL A 57 -16.746 -42.261 -53.898 1.00100.00 H new ATOM 0 HB VAL A 57 -14.322 -40.989 -52.641 1.00100.00 H new ATOM 0 HG11 VAL A 57 -15.583 -38.877 -52.989 1.00100.00 H new ATOM 0 HG12 VAL A 57 -15.213 -39.672 -54.538 1.00100.00 H new ATOM 0 HG13 VAL A 57 -16.851 -39.781 -53.850 1.00100.00 H new ATOM 0 HG21 VAL A 57 -15.982 -40.222 -50.954 1.00100.00 H new ATOM 0 HG22 VAL A 57 -17.253 -41.143 -51.793 1.00100.00 H new ATOM 0 HG23 VAL A 57 -15.900 -41.998 -51.016 1.00100.00 H new ATOM 879 N PHE A 58 -13.702 -42.571 -55.163 1.00100.00 N ATOM 880 CA PHE A 58 -12.967 -42.559 -56.400 1.00100.00 C ATOM 881 C PHE A 58 -13.311 -43.683 -57.349 1.00100.00 C ATOM 882 O PHE A 58 -12.916 -43.617 -58.514 1.00100.00 O ATOM 883 CB PHE A 58 -11.427 -42.418 -56.222 1.00100.00 C ATOM 884 CG PHE A 58 -10.832 -43.502 -55.356 1.00100.00 C ATOM 885 CD1 PHE A 58 -10.559 -44.766 -55.898 1.00100.00 C ATOM 886 CD2 PHE A 58 -10.568 -43.250 -54.003 1.00100.00 C ATOM 887 CE1 PHE A 58 -10.015 -45.772 -55.089 1.00100.00 C ATOM 888 CE2 PHE A 58 -10.025 -44.256 -53.194 1.00100.00 C ATOM 889 CZ PHE A 58 -9.748 -45.518 -53.738 1.00100.00 C ATOM 0 H PHE A 58 -13.163 -42.901 -54.362 1.00100.00 H new ATOM 0 HA PHE A 58 -13.314 -41.643 -56.879 1.00100.00 H new ATOM 0 HB2 PHE A 58 -10.950 -42.440 -57.202 1.00100.00 H new ATOM 0 HB3 PHE A 58 -11.205 -41.446 -55.782 1.00100.00 H new ATOM 0 HD1 PHE A 58 -10.768 -44.964 -56.939 1.00100.00 H new ATOM 0 HD2 PHE A 58 -10.784 -42.278 -53.583 1.00100.00 H new ATOM 0 HE1 PHE A 58 -9.801 -46.744 -55.508 1.00100.00 H new ATOM 0 HE2 PHE A 58 -9.820 -44.060 -52.152 1.00100.00 H new ATOM 0 HZ PHE A 58 -9.329 -46.294 -53.115 1.00100.00 H new ATOM 899 N ASP A 59 -14.059 -44.725 -56.884 1.00100.00 N ATOM 900 CA ASP A 59 -14.433 -45.850 -57.715 1.00100.00 C ATOM 901 C ASP A 59 -15.275 -45.502 -58.921 1.00100.00 C ATOM 902 O ASP A 59 -14.921 -45.993 -59.995 1.00100.00 O ATOM 903 CB ASP A 59 -15.130 -47.016 -56.965 1.00100.00 C ATOM 904 CG ASP A 59 -14.188 -47.765 -56.033 1.00100.00 C ATOM 905 OD1 ASP A 59 -12.960 -47.635 -56.224 1.00100.00 O ATOM 906 OD2 ASP A 59 -14.720 -48.472 -55.149 1.00100.00 O ATOM 0 H ASP A 59 -14.405 -44.785 -55.926 1.00100.00 H new ATOM 0 HA ASP A 59 -13.453 -46.185 -58.055 1.00100.00 H new ATOM 0 HB2 ASP A 59 -15.967 -46.622 -56.388 1.00100.00 H new ATOM 0 HB3 ASP A 59 -15.544 -47.714 -57.693 1.00100.00 H new