USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 519 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 4 THR OG1 : rot -130:sc= -0.0694 USER MOD Set 1.2: A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 1 SER N :NH3+ -116:sc= 0.181 (180deg=0.000829) USER MOD Single : A 1 SER OG : rot 140:sc= 0.0271 USER MOD Single : A 8 ASN : amide:sc= 0.00786 X(o=0.0079,f=0) USER MOD Single : A 9 GLN : amide:sc= -3.28! K(o=-3.3!,f=-2.2) USER MOD Single : A 11 SER OG : rot 36:sc= -0.114 USER MOD Single : A 21 SER OG : rot -51:sc= 0.655 USER MOD Single : A 23 THR OG1 : rot -131:sc= 0.0646 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= -0.0266 USER MOD Single : A 39 SER OG : rot -30:sc= 0.453 USER MOD Single : A 42 TYR OH : rot -138:sc= 1.3 USER MOD Single : A 44 THR OG1 : rot -40:sc= 0.965 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.16 USER MOD Single : A 50 GLN : amide:sc= -4.29! C(o=-4.3!,f=-4.1!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -1.46 K(o=-1.5,f=0) USER MOD Single : A 55 ASN : amide:sc= 1.08 K(o=1.1,f=-0.12) USER MOD Single : A 60 ASN : amide:sc= -0.236 K(o=-0.24,f=-3.7!) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 67 ASN : amide:sc= 1.16 K(o=1.2,f=-0.25) USER MOD Single : A 69 ASN : amide:sc= -7.43! C(o=-7.4!,f=-12!) USER MOD Single : A 74 ASN : amide:sc= 0.105 X(o=0.1,f=-0.043) USER MOD Single : A 75 SER OG : rot 40:sc= -3.41! USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 36.972 -7.554 -2.786 1.00 0.00 N ATOM 2 CA SER A 1 38.094 -7.927 -1.900 1.00 0.00 C ATOM 3 C SER A 1 37.698 -7.698 -0.445 1.00 0.00 C ATOM 4 O SER A 1 36.573 -7.291 -0.172 1.00 0.00 O ATOM 5 CB SER A 1 39.324 -7.085 -2.258 1.00 0.00 C ATOM 6 OG SER A 1 39.554 -7.097 -3.658 1.00 0.00 O ATOM 0 H1 SER A 1 36.634 -8.397 -3.292 1.00 0.00 H new ATOM 0 H2 SER A 1 36.197 -7.158 -2.217 1.00 0.00 H new ATOM 0 H3 SER A 1 37.294 -6.844 -3.474 1.00 0.00 H new ATOM 0 HA SER A 1 38.334 -8.982 -2.034 1.00 0.00 H new ATOM 0 HB2 SER A 1 39.180 -6.060 -1.918 1.00 0.00 H new ATOM 0 HB3 SER A 1 40.200 -7.473 -1.738 1.00 0.00 H new ATOM 0 HG SER A 1 39.824 -6.202 -3.953 1.00 0.00 H new ATOM 14 N ALA A 2 38.619 -7.954 0.479 1.00 0.00 N ATOM 15 CA ALA A 2 38.386 -7.678 1.898 1.00 0.00 C ATOM 16 C ALA A 2 38.635 -6.199 2.194 1.00 0.00 C ATOM 17 O ALA A 2 38.700 -5.776 3.346 1.00 0.00 O ATOM 18 CB ALA A 2 39.286 -8.556 2.759 1.00 0.00 C ATOM 0 H ALA A 2 39.535 -8.352 0.273 1.00 0.00 H new ATOM 0 HA ALA A 2 37.348 -7.909 2.137 1.00 0.00 H new ATOM 0 HB1 ALA A 2 39.104 -8.342 3.812 1.00 0.00 H new ATOM 0 HB2 ALA A 2 39.069 -9.605 2.559 1.00 0.00 H new ATOM 0 HB3 ALA A 2 40.330 -8.350 2.522 1.00 0.00 H new ATOM 24 N ARG A 3 38.763 -5.428 1.126 1.00 0.00 N ATOM 25 CA ARG A 3 39.044 -4.011 1.199 1.00 0.00 C ATOM 26 C ARG A 3 38.754 -3.414 -0.172 1.00 0.00 C ATOM 27 O ARG A 3 38.475 -4.161 -1.114 1.00 0.00 O ATOM 28 CB ARG A 3 40.509 -3.801 1.600 1.00 0.00 C ATOM 29 CG ARG A 3 40.880 -2.362 1.925 1.00 0.00 C ATOM 30 CD ARG A 3 42.313 -2.269 2.426 1.00 0.00 C ATOM 31 NE ARG A 3 43.266 -2.877 1.491 1.00 0.00 N ATOM 32 CZ ARG A 3 44.389 -3.489 1.867 1.00 0.00 C ATOM 33 NH1 ARG A 3 44.707 -3.581 3.157 1.00 0.00 N ATOM 34 NH2 ARG A 3 45.193 -4.019 0.955 1.00 0.00 N ATOM 0 H ARG A 3 38.673 -5.778 0.172 1.00 0.00 H new ATOM 0 HA ARG A 3 38.423 -3.521 1.949 1.00 0.00 H new ATOM 0 HB2 ARG A 3 40.726 -4.423 2.469 1.00 0.00 H new ATOM 0 HB3 ARG A 3 41.147 -4.152 0.789 1.00 0.00 H new ATOM 0 HG2 ARG A 3 40.761 -1.742 1.036 1.00 0.00 H new ATOM 0 HG3 ARG A 3 40.200 -1.969 2.681 1.00 0.00 H new ATOM 0 HD2 ARG A 3 42.575 -1.222 2.580 1.00 0.00 H new ATOM 0 HD3 ARG A 3 42.391 -2.763 3.394 1.00 0.00 H new ATOM 0 HE ARG A 3 43.057 -2.829 0.494 1.00 0.00 H new ATOM 0 HH11 ARG A 3 44.090 -3.182 3.864 1.00 0.00 H new ATOM 0 HH12 ARG A 3 45.568 -4.051 3.438 1.00 0.00 H new ATOM 0 HH21 ARG A 3 44.952 -3.958 -0.034 1.00 0.00 H new ATOM 0 HH22 ARG A 3 46.052 -4.487 1.243 1.00 0.00 H new ATOM 48 N THR A 4 38.795 -2.090 -0.279 1.00 0.00 N ATOM 49 CA THR A 4 38.528 -1.409 -1.539 1.00 0.00 C ATOM 50 C THR A 4 39.457 -1.900 -2.647 1.00 0.00 C ATOM 51 O THR A 4 39.012 -2.290 -3.724 1.00 0.00 O ATOM 52 CB THR A 4 38.680 0.115 -1.366 1.00 0.00 C ATOM 53 OG1 THR A 4 38.025 0.530 -0.159 1.00 0.00 O ATOM 54 CG2 THR A 4 38.082 0.856 -2.552 1.00 0.00 C ATOM 0 H THR A 4 39.012 -1.465 0.497 1.00 0.00 H new ATOM 0 HA THR A 4 37.503 -1.639 -1.829 1.00 0.00 H new ATOM 0 HB THR A 4 39.742 0.353 -1.309 1.00 0.00 H new ATOM 0 HG1 THR A 4 37.435 1.289 -0.351 1.00 0.00 H new ATOM 0 HG21 THR A 4 38.201 1.930 -2.408 1.00 0.00 H new ATOM 0 HG22 THR A 4 38.594 0.554 -3.466 1.00 0.00 H new ATOM 0 HG23 THR A 4 37.022 0.616 -2.634 1.00 0.00 H new ATOM 62 N CYS A 5 40.739 -1.904 -2.354 1.00 0.00 N ATOM 63 CA CYS A 5 41.743 -2.361 -3.305 1.00 0.00 C ATOM 64 C CYS A 5 42.113 -3.818 -3.037 1.00 0.00 C ATOM 65 O CYS A 5 42.063 -4.280 -1.890 1.00 0.00 O ATOM 66 CB CYS A 5 42.980 -1.472 -3.244 1.00 0.00 C ATOM 67 SG CYS A 5 42.663 0.224 -3.813 1.00 0.00 S ATOM 0 H CYS A 5 41.118 -1.594 -1.459 1.00 0.00 H new ATOM 0 HA CYS A 5 41.322 -2.295 -4.308 1.00 0.00 H new ATOM 0 HB2 CYS A 5 43.349 -1.442 -2.219 1.00 0.00 H new ATOM 0 HB3 CYS A 5 43.768 -1.913 -3.854 1.00 0.00 H new ATOM 72 N PRO A 6 42.467 -4.560 -4.096 1.00 0.00 N ATOM 73 CA PRO A 6 42.856 -5.976 -4.004 1.00 0.00 C ATOM 74 C PRO A 6 44.051 -6.207 -3.071 1.00 0.00 C ATOM 75 O PRO A 6 44.780 -5.272 -2.744 1.00 0.00 O ATOM 76 CB PRO A 6 43.223 -6.334 -5.449 1.00 0.00 C ATOM 77 CG PRO A 6 42.493 -5.341 -6.279 1.00 0.00 C ATOM 78 CD PRO A 6 42.510 -4.071 -5.483 1.00 0.00 C ATOM 0 HA PRO A 6 42.058 -6.588 -3.584 1.00 0.00 H new ATOM 0 HB2 PRO A 6 44.299 -6.272 -5.612 1.00 0.00 H new ATOM 0 HB3 PRO A 6 42.922 -7.353 -5.694 1.00 0.00 H new ATOM 0 HG2 PRO A 6 42.977 -5.205 -7.246 1.00 0.00 H new ATOM 0 HG3 PRO A 6 41.472 -5.668 -6.476 1.00 0.00 H new ATOM 0 HD2 PRO A 6 43.407 -3.483 -5.678 1.00 0.00 H new ATOM 0 HD3 PRO A 6 41.655 -3.436 -5.715 1.00 0.00 H new ATOM 86 N PRO A 7 44.271 -7.466 -2.644 1.00 0.00 N ATOM 87 CA PRO A 7 45.332 -7.818 -1.681 1.00 0.00 C ATOM 88 C PRO A 7 46.740 -7.454 -2.162 1.00 0.00 C ATOM 89 O PRO A 7 47.623 -7.177 -1.355 1.00 0.00 O ATOM 90 CB PRO A 7 45.205 -9.341 -1.542 1.00 0.00 C ATOM 91 CG PRO A 7 43.821 -9.656 -1.992 1.00 0.00 C ATOM 92 CD PRO A 7 43.498 -8.651 -3.058 1.00 0.00 C ATOM 0 HA PRO A 7 45.207 -7.268 -0.748 1.00 0.00 H new ATOM 0 HB2 PRO A 7 45.946 -9.856 -2.154 1.00 0.00 H new ATOM 0 HB3 PRO A 7 45.367 -9.658 -0.512 1.00 0.00 H new ATOM 0 HG2 PRO A 7 43.758 -10.672 -2.381 1.00 0.00 H new ATOM 0 HG3 PRO A 7 43.116 -9.588 -1.164 1.00 0.00 H new ATOM 0 HD2 PRO A 7 43.796 -9.002 -4.046 1.00 0.00 H new ATOM 0 HD3 PRO A 7 42.430 -8.440 -3.103 1.00 0.00 H new ATOM 100 N ASN A 8 46.945 -7.439 -3.478 1.00 0.00 N ATOM 101 CA ASN A 8 48.270 -7.171 -4.043 1.00 0.00 C ATOM 102 C ASN A 8 48.533 -5.669 -4.108 1.00 0.00 C ATOM 103 O ASN A 8 49.524 -5.214 -4.681 1.00 0.00 O ATOM 104 CB ASN A 8 48.383 -7.768 -5.445 1.00 0.00 C ATOM 105 CG ASN A 8 49.793 -8.225 -5.778 1.00 0.00 C ATOM 106 OD1 ASN A 8 50.153 -9.375 -5.545 1.00 0.00 O ATOM 107 ND2 ASN A 8 50.600 -7.329 -6.323 1.00 0.00 N ATOM 0 H ASN A 8 46.216 -7.608 -4.171 1.00 0.00 H new ATOM 0 HA ASN A 8 49.013 -7.635 -3.394 1.00 0.00 H new ATOM 0 HB2 ASN A 8 47.702 -8.615 -5.530 1.00 0.00 H new ATOM 0 HB3 ASN A 8 48.064 -7.027 -6.178 1.00 0.00 H new ATOM 0 HD21 ASN A 8 51.557 -7.585 -6.564 1.00 0.00 H new ATOM 0 HD22 ASN A 8 50.265 -6.382 -6.502 1.00 0.00 H new ATOM 114 N GLN A 9 47.620 -4.901 -3.540 1.00 0.00 N ATOM 115 CA GLN A 9 47.745 -3.460 -3.483 1.00 0.00 C ATOM 116 C GLN A 9 47.047 -2.924 -2.239 1.00 0.00 C ATOM 117 O GLN A 9 46.624 -3.693 -1.378 1.00 0.00 O ATOM 118 CB GLN A 9 47.196 -2.808 -4.758 1.00 0.00 C ATOM 119 CG GLN A 9 45.909 -3.416 -5.282 1.00 0.00 C ATOM 120 CD GLN A 9 46.117 -4.191 -6.571 1.00 0.00 C ATOM 121 OE1 GLN A 9 45.225 -4.281 -7.406 1.00 0.00 O ATOM 122 NE2 GLN A 9 47.304 -4.749 -6.747 1.00 0.00 N ATOM 0 H GLN A 9 46.771 -5.262 -3.105 1.00 0.00 H new ATOM 0 HA GLN A 9 48.803 -3.204 -3.419 1.00 0.00 H new ATOM 0 HB2 GLN A 9 47.028 -1.749 -4.564 1.00 0.00 H new ATOM 0 HB3 GLN A 9 47.955 -2.872 -5.538 1.00 0.00 H new ATOM 0 HG2 GLN A 9 45.490 -4.080 -4.526 1.00 0.00 H new ATOM 0 HG3 GLN A 9 45.179 -2.624 -5.451 1.00 0.00 H new ATOM 0 HE21 GLN A 9 48.024 -4.654 -6.030 1.00 0.00 H new ATOM 0 HE22 GLN A 9 47.499 -5.274 -7.599 1.00 0.00 H new ATOM 131 N PHE A 10 46.929 -1.616 -2.142 1.00 0.00 N ATOM 132 CA PHE A 10 46.396 -0.985 -0.950 1.00 0.00 C ATOM 133 C PHE A 10 45.507 0.186 -1.335 1.00 0.00 C ATOM 134 O PHE A 10 45.740 0.855 -2.335 1.00 0.00 O ATOM 135 CB PHE A 10 47.537 -0.528 -0.032 1.00 0.00 C ATOM 136 CG PHE A 10 47.081 0.261 1.167 1.00 0.00 C ATOM 137 CD1 PHE A 10 46.334 -0.337 2.176 1.00 0.00 C ATOM 138 CD2 PHE A 10 47.386 1.606 1.274 1.00 0.00 C ATOM 139 CE1 PHE A 10 45.900 0.398 3.267 1.00 0.00 C ATOM 140 CE2 PHE A 10 46.948 2.345 2.354 1.00 0.00 C ATOM 141 CZ PHE A 10 46.211 1.744 3.355 1.00 0.00 C ATOM 0 H PHE A 10 47.197 -0.964 -2.879 1.00 0.00 H new ATOM 0 HA PHE A 10 45.793 -1.710 -0.404 1.00 0.00 H new ATOM 0 HB2 PHE A 10 48.087 -1.405 0.311 1.00 0.00 H new ATOM 0 HB3 PHE A 10 48.233 0.079 -0.610 1.00 0.00 H new ATOM 0 HD1 PHE A 10 46.089 -1.387 2.108 1.00 0.00 H new ATOM 0 HD2 PHE A 10 47.974 2.083 0.504 1.00 0.00 H new ATOM 0 HE1 PHE A 10 45.322 -0.077 4.046 1.00 0.00 H new ATOM 0 HE2 PHE A 10 47.183 3.397 2.416 1.00 0.00 H new ATOM 0 HZ PHE A 10 45.878 2.322 4.204 1.00 0.00 H new ATOM 151 N SER A 11 44.490 0.424 -0.538 1.00 0.00 N ATOM 152 CA SER A 11 43.528 1.454 -0.824 1.00 0.00 C ATOM 153 C SER A 11 43.676 2.597 0.151 1.00 0.00 C ATOM 154 O SER A 11 43.405 2.436 1.342 1.00 0.00 O ATOM 155 CB SER A 11 42.110 0.890 -0.742 1.00 0.00 C ATOM 156 OG SER A 11 41.919 0.199 0.478 1.00 0.00 O ATOM 0 H SER A 11 44.310 -0.092 0.324 1.00 0.00 H new ATOM 0 HA SER A 11 43.709 1.823 -1.834 1.00 0.00 H new ATOM 0 HB2 SER A 11 41.385 1.700 -0.825 1.00 0.00 H new ATOM 0 HB3 SER A 11 41.932 0.216 -1.580 1.00 0.00 H new ATOM 0 HG SER A 11 42.414 0.653 1.192 1.00 0.00 H new ATOM 162 N CYS A 12 44.125 3.738 -0.343 1.00 0.00 N ATOM 163 CA CYS A 12 44.079 4.947 0.454 1.00 0.00 C ATOM 164 C CYS A 12 42.627 5.195 0.823 1.00 0.00 C ATOM 165 O CYS A 12 41.751 4.928 -0.004 1.00 0.00 O ATOM 166 CB CYS A 12 44.662 6.145 -0.302 1.00 0.00 C ATOM 167 SG CYS A 12 44.467 7.747 0.551 1.00 0.00 S ATOM 0 H CYS A 12 44.519 3.851 -1.277 1.00 0.00 H new ATOM 0 HA CYS A 12 44.687 4.823 1.350 1.00 0.00 H new ATOM 0 HB2 CYS A 12 45.723 5.967 -0.476 1.00 0.00 H new ATOM 0 HB3 CYS A 12 44.185 6.208 -1.280 1.00 0.00 H new ATOM 172 N ALA A 13 42.404 5.786 2.004 1.00 0.00 N ATOM 173 CA ALA A 13 41.111 5.754 2.719 1.00 0.00 C ATOM 174 C ALA A 13 39.911 5.497 1.807 1.00 0.00 C ATOM 175 O ALA A 13 39.269 6.429 1.320 1.00 0.00 O ATOM 176 CB ALA A 13 40.916 7.061 3.476 1.00 0.00 C ATOM 0 H ALA A 13 43.125 6.309 2.501 1.00 0.00 H new ATOM 0 HA ALA A 13 41.156 4.912 3.409 1.00 0.00 H new ATOM 0 HB1 ALA A 13 39.962 7.037 4.003 1.00 0.00 H new ATOM 0 HB2 ALA A 13 41.725 7.189 4.195 1.00 0.00 H new ATOM 0 HB3 ALA A 13 40.921 7.893 2.772 1.00 0.00 H new ATOM 182 N SER A 14 39.671 4.192 1.586 1.00 0.00 N ATOM 183 CA SER A 14 38.602 3.661 0.734 1.00 0.00 C ATOM 184 C SER A 14 38.201 4.606 -0.399 1.00 0.00 C ATOM 185 O SER A 14 37.089 5.131 -0.424 1.00 0.00 O ATOM 186 CB SER A 14 37.396 3.272 1.587 1.00 0.00 C ATOM 187 OG SER A 14 37.780 2.350 2.592 1.00 0.00 O ATOM 0 H SER A 14 40.237 3.457 2.011 1.00 0.00 H new ATOM 0 HA SER A 14 38.998 2.771 0.245 1.00 0.00 H new ATOM 0 HB2 SER A 14 36.965 4.162 2.046 1.00 0.00 H new ATOM 0 HB3 SER A 14 36.623 2.832 0.957 1.00 0.00 H new ATOM 0 HG SER A 14 36.998 2.110 3.132 1.00 0.00 H new ATOM 193 N GLY A 15 39.122 4.818 -1.328 1.00 0.00 N ATOM 194 CA GLY A 15 38.848 5.663 -2.469 1.00 0.00 C ATOM 195 C GLY A 15 39.981 5.637 -3.471 1.00 0.00 C ATOM 196 O GLY A 15 39.760 5.517 -4.675 1.00 0.00 O ATOM 0 H GLY A 15 40.059 4.416 -1.310 1.00 0.00 H new ATOM 0 HA2 GLY A 15 37.928 5.335 -2.952 1.00 0.00 H new ATOM 0 HA3 GLY A 15 38.684 6.687 -2.132 1.00 0.00 H new ATOM 200 N ARG A 16 41.202 5.758 -2.971 1.00 0.00 N ATOM 201 CA ARG A 16 42.379 5.691 -3.823 1.00 0.00 C ATOM 202 C ARG A 16 42.874 4.252 -3.885 1.00 0.00 C ATOM 203 O ARG A 16 42.430 3.409 -3.108 1.00 0.00 O ATOM 204 CB ARG A 16 43.492 6.624 -3.319 1.00 0.00 C ATOM 205 CG ARG A 16 43.112 8.103 -3.290 1.00 0.00 C ATOM 206 CD ARG A 16 42.256 8.460 -2.075 1.00 0.00 C ATOM 207 NE ARG A 16 41.846 9.866 -2.083 1.00 0.00 N ATOM 208 CZ ARG A 16 41.931 10.677 -1.023 1.00 0.00 C ATOM 209 NH1 ARG A 16 42.467 10.237 0.112 1.00 0.00 N ATOM 210 NH2 ARG A 16 41.495 11.933 -1.107 1.00 0.00 N ATOM 0 H ARG A 16 41.403 5.903 -1.982 1.00 0.00 H new ATOM 0 HA ARG A 16 42.104 6.025 -4.823 1.00 0.00 H new ATOM 0 HB2 ARG A 16 43.780 6.316 -2.314 1.00 0.00 H new ATOM 0 HB3 ARG A 16 44.369 6.499 -3.954 1.00 0.00 H new ATOM 0 HG2 ARG A 16 44.018 8.708 -3.283 1.00 0.00 H new ATOM 0 HG3 ARG A 16 42.568 8.354 -4.201 1.00 0.00 H new ATOM 0 HD2 ARG A 16 41.370 7.825 -2.057 1.00 0.00 H new ATOM 0 HD3 ARG A 16 42.816 8.252 -1.164 1.00 0.00 H new ATOM 0 HE ARG A 16 41.472 10.250 -2.951 1.00 0.00 H new ATOM 0 HH11 ARG A 16 42.814 9.280 0.175 1.00 0.00 H new ATOM 0 HH12 ARG A 16 42.531 10.857 0.920 1.00 0.00 H new ATOM 0 HH21 ARG A 16 41.096 12.277 -1.980 1.00 0.00 H new ATOM 0 HH22 ARG A 16 41.560 12.551 -0.298 1.00 0.00 H new ATOM 224 N CYS A 17 43.814 3.980 -4.777 1.00 0.00 N ATOM 225 CA CYS A 17 44.280 2.622 -5.002 1.00 0.00 C ATOM 226 C CYS A 17 45.754 2.635 -5.383 1.00 0.00 C ATOM 227 O CYS A 17 46.112 2.996 -6.504 1.00 0.00 O ATOM 228 CB CYS A 17 43.467 1.956 -6.107 1.00 0.00 C ATOM 229 SG CYS A 17 43.146 0.198 -5.781 1.00 0.00 S ATOM 0 H CYS A 17 44.270 4.684 -5.358 1.00 0.00 H new ATOM 0 HA CYS A 17 44.152 2.053 -4.081 1.00 0.00 H new ATOM 0 HB2 CYS A 17 42.518 2.479 -6.219 1.00 0.00 H new ATOM 0 HB3 CYS A 17 43.999 2.054 -7.053 1.00 0.00 H new ATOM 234 N ILE A 18 46.600 2.275 -4.434 1.00 0.00 N ATOM 235 CA ILE A 18 48.035 2.250 -4.638 1.00 0.00 C ATOM 236 C ILE A 18 48.512 0.805 -4.544 1.00 0.00 C ATOM 237 O ILE A 18 47.758 -0.047 -4.095 1.00 0.00 O ATOM 238 CB ILE A 18 48.739 3.089 -3.553 1.00 0.00 C ATOM 239 CG1 ILE A 18 48.679 2.358 -2.222 1.00 0.00 C ATOM 240 CG2 ILE A 18 48.059 4.444 -3.417 1.00 0.00 C ATOM 241 CD1 ILE A 18 49.702 2.840 -1.236 1.00 0.00 C ATOM 0 H ILE A 18 46.309 1.991 -3.498 1.00 0.00 H new ATOM 0 HA ILE A 18 48.273 2.667 -5.616 1.00 0.00 H new ATOM 0 HB ILE A 18 49.780 3.238 -3.841 1.00 0.00 H new ATOM 0 HG12 ILE A 18 47.685 2.480 -1.793 1.00 0.00 H new ATOM 0 HG13 ILE A 18 48.824 1.291 -2.394 1.00 0.00 H new ATOM 0 HG21 ILE A 18 48.564 5.029 -2.648 1.00 0.00 H new ATOM 0 HG22 ILE A 18 48.110 4.974 -4.368 1.00 0.00 H new ATOM 0 HG23 ILE A 18 47.015 4.301 -3.137 1.00 0.00 H new ATOM 0 HD11 ILE A 18 49.605 2.278 -0.307 1.00 0.00 H new ATOM 0 HD12 ILE A 18 50.701 2.693 -1.647 1.00 0.00 H new ATOM 0 HD13 ILE A 18 49.544 3.900 -1.036 1.00 0.00 H new ATOM 253 N PRO A 19 49.741 0.487 -4.967 1.00 0.00 N ATOM 254 CA PRO A 19 50.308 -0.855 -4.779 1.00 0.00 C ATOM 255 C PRO A 19 50.597 -1.141 -3.302 1.00 0.00 C ATOM 256 O PRO A 19 50.702 -0.222 -2.494 1.00 0.00 O ATOM 257 CB PRO A 19 51.611 -0.819 -5.591 1.00 0.00 C ATOM 258 CG PRO A 19 51.518 0.405 -6.442 1.00 0.00 C ATOM 259 CD PRO A 19 50.667 1.376 -5.676 1.00 0.00 C ATOM 0 HA PRO A 19 49.626 -1.641 -5.101 1.00 0.00 H new ATOM 0 HB2 PRO A 19 52.481 -0.776 -4.935 1.00 0.00 H new ATOM 0 HB3 PRO A 19 51.717 -1.715 -6.203 1.00 0.00 H new ATOM 0 HG2 PRO A 19 52.506 0.821 -6.637 1.00 0.00 H new ATOM 0 HG3 PRO A 19 51.073 0.175 -7.410 1.00 0.00 H new ATOM 0 HD2 PRO A 19 51.258 1.980 -4.988 1.00 0.00 H new ATOM 0 HD3 PRO A 19 50.143 2.066 -6.337 1.00 0.00 H new ATOM 267 N ILE A 20 50.711 -2.414 -2.941 1.00 0.00 N ATOM 268 CA ILE A 20 50.922 -2.777 -1.547 1.00 0.00 C ATOM 269 C ILE A 20 52.404 -2.697 -1.179 1.00 0.00 C ATOM 270 O ILE A 20 53.261 -2.671 -2.061 1.00 0.00 O ATOM 271 CB ILE A 20 50.371 -4.187 -1.259 1.00 0.00 C ATOM 272 CG1 ILE A 20 50.166 -4.401 0.240 1.00 0.00 C ATOM 273 CG2 ILE A 20 51.287 -5.265 -1.831 1.00 0.00 C ATOM 274 CD1 ILE A 20 49.148 -3.468 0.863 1.00 0.00 C ATOM 0 H ILE A 20 50.662 -3.203 -3.586 1.00 0.00 H new ATOM 0 HA ILE A 20 50.378 -2.062 -0.929 1.00 0.00 H new ATOM 0 HB ILE A 20 49.402 -4.268 -1.752 1.00 0.00 H new ATOM 0 HG12 ILE A 20 49.851 -5.431 0.410 1.00 0.00 H new ATOM 0 HG13 ILE A 20 51.121 -4.272 0.749 1.00 0.00 H new ATOM 0 HG21 ILE A 20 50.872 -6.249 -1.612 1.00 0.00 H new ATOM 0 HG22 ILE A 20 51.369 -5.138 -2.910 1.00 0.00 H new ATOM 0 HG23 ILE A 20 52.276 -5.180 -1.380 1.00 0.00 H new ATOM 0 HD11 ILE A 20 49.060 -3.684 1.928 1.00 0.00 H new ATOM 0 HD12 ILE A 20 49.470 -2.435 0.727 1.00 0.00 H new ATOM 0 HD13 ILE A 20 48.180 -3.613 0.383 1.00 0.00 H new ATOM 286 N SER A 21 52.678 -2.650 0.129 1.00 0.00 N ATOM 287 CA SER A 21 54.031 -2.478 0.662 1.00 0.00 C ATOM 288 C SER A 21 54.497 -1.054 0.409 1.00 0.00 C ATOM 289 O SER A 21 55.690 -0.760 0.417 1.00 0.00 O ATOM 290 CB SER A 21 55.005 -3.488 0.056 1.00 0.00 C ATOM 291 OG SER A 21 56.182 -3.610 0.839 1.00 0.00 O ATOM 0 H SER A 21 51.962 -2.731 0.851 1.00 0.00 H new ATOM 0 HA SER A 21 54.008 -2.662 1.736 1.00 0.00 H new ATOM 0 HB2 SER A 21 54.519 -4.460 -0.026 1.00 0.00 H new ATOM 0 HB3 SER A 21 55.270 -3.178 -0.955 1.00 0.00 H new ATOM 0 HG SER A 21 56.552 -2.720 1.014 1.00 0.00 H new ATOM 297 N TRP A 22 53.522 -0.201 0.142 1.00 0.00 N ATOM 298 CA TRP A 22 53.733 1.249 0.075 1.00 0.00 C ATOM 299 C TRP A 22 53.146 1.911 1.313 1.00 0.00 C ATOM 300 O TRP A 22 53.151 3.126 1.453 1.00 0.00 O ATOM 301 CB TRP A 22 53.043 1.838 -1.152 1.00 0.00 C ATOM 302 CG TRP A 22 53.643 1.438 -2.458 1.00 0.00 C ATOM 303 CD1 TRP A 22 54.016 0.189 -2.837 1.00 0.00 C ATOM 304 CD2 TRP A 22 53.904 2.294 -3.575 1.00 0.00 C ATOM 305 NE1 TRP A 22 54.500 0.210 -4.117 1.00 0.00 N ATOM 306 CE2 TRP A 22 54.446 1.493 -4.594 1.00 0.00 C ATOM 307 CE3 TRP A 22 53.730 3.659 -3.811 1.00 0.00 C ATOM 308 CZ2 TRP A 22 54.824 2.012 -5.829 1.00 0.00 C ATOM 309 CZ3 TRP A 22 54.104 4.174 -5.038 1.00 0.00 C ATOM 310 CH2 TRP A 22 54.643 3.351 -6.034 1.00 0.00 C ATOM 0 H TRP A 22 52.559 -0.487 -0.036 1.00 0.00 H new ATOM 0 HA TRP A 22 54.806 1.432 0.015 1.00 0.00 H new ATOM 0 HB2 TRP A 22 51.995 1.537 -1.142 1.00 0.00 H new ATOM 0 HB3 TRP A 22 53.063 2.925 -1.076 1.00 0.00 H new ATOM 0 HD1 TRP A 22 53.942 -0.693 -2.218 1.00 0.00 H new ATOM 0 HE1 TRP A 22 54.845 -0.599 -4.633 1.00 0.00 H new ATOM 0 HE3 TRP A 22 53.311 4.300 -3.049 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 55.245 1.380 -6.597 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 53.978 5.229 -5.232 1.00 0.00 H new ATOM 0 HH2 TRP A 22 54.921 3.783 -6.984 1.00 0.00 H new ATOM 321 N THR A 23 52.632 1.080 2.196 1.00 0.00 N ATOM 322 CA THR A 23 51.854 1.530 3.321 1.00 0.00 C ATOM 323 C THR A 23 52.735 1.928 4.504 1.00 0.00 C ATOM 324 O THR A 23 53.595 2.804 4.406 1.00 0.00 O ATOM 325 CB THR A 23 50.907 0.396 3.757 1.00 0.00 C ATOM 326 OG1 THR A 23 51.679 -0.744 4.158 1.00 0.00 O ATOM 327 CG2 THR A 23 50.003 -0.029 2.622 1.00 0.00 C ATOM 0 H THR A 23 52.746 0.067 2.149 1.00 0.00 H new ATOM 0 HA THR A 23 51.292 2.412 3.012 1.00 0.00 H new ATOM 0 HB THR A 23 50.300 0.768 4.582 1.00 0.00 H new ATOM 0 HG1 THR A 23 51.332 -1.546 3.714 1.00 0.00 H new ATOM 0 HG21 THR A 23 49.346 -0.831 2.960 1.00 0.00 H new ATOM 0 HG22 THR A 23 49.402 0.820 2.298 1.00 0.00 H new ATOM 0 HG23 THR A 23 50.608 -0.384 1.788 1.00 0.00 H new ATOM 335 N CYS A 24 52.474 1.272 5.623 1.00 0.00 N ATOM 336 CA CYS A 24 53.249 1.386 6.828 1.00 0.00 C ATOM 337 C CYS A 24 54.683 0.899 6.615 1.00 0.00 C ATOM 338 O CYS A 24 55.043 -0.201 7.050 1.00 0.00 O ATOM 339 CB CYS A 24 52.574 0.529 7.874 1.00 0.00 C ATOM 340 SG CYS A 24 50.867 1.045 8.248 1.00 0.00 S ATOM 0 H CYS A 24 51.689 0.627 5.711 1.00 0.00 H new ATOM 0 HA CYS A 24 53.301 2.430 7.137 1.00 0.00 H new ATOM 0 HB2 CYS A 24 52.565 -0.506 7.533 1.00 0.00 H new ATOM 0 HB3 CYS A 24 53.163 0.558 8.791 1.00 0.00 H new ATOM 345 N ASP A 25 55.489 1.693 5.933 1.00 0.00 N ATOM 346 CA ASP A 25 56.863 1.318 5.646 1.00 0.00 C ATOM 347 C ASP A 25 57.738 2.540 5.398 1.00 0.00 C ATOM 348 O ASP A 25 58.715 2.475 4.645 1.00 0.00 O ATOM 349 CB ASP A 25 56.942 0.328 4.474 1.00 0.00 C ATOM 350 CG ASP A 25 55.885 0.540 3.403 1.00 0.00 C ATOM 351 OD1 ASP A 25 56.092 1.390 2.517 1.00 0.00 O ATOM 352 OD2 ASP A 25 54.857 -0.187 3.432 1.00 0.00 O ATOM 0 H ASP A 25 55.215 2.605 5.566 1.00 0.00 H new ATOM 0 HA ASP A 25 57.251 0.813 6.530 1.00 0.00 H new ATOM 0 HB2 ASP A 25 57.928 0.405 4.015 1.00 0.00 H new ATOM 0 HB3 ASP A 25 56.849 -0.686 4.863 1.00 0.00 H new ATOM 357 N LEU A 26 57.390 3.638 6.076 1.00 0.00 N ATOM 358 CA LEU A 26 58.238 4.834 6.172 1.00 0.00 C ATOM 359 C LEU A 26 58.128 5.755 4.961 1.00 0.00 C ATOM 360 O LEU A 26 59.023 6.575 4.726 1.00 0.00 O ATOM 361 CB LEU A 26 59.709 4.457 6.410 1.00 0.00 C ATOM 362 CG LEU A 26 60.011 3.821 7.769 1.00 0.00 C ATOM 363 CD1 LEU A 26 61.450 3.337 7.823 1.00 0.00 C ATOM 364 CD2 LEU A 26 59.753 4.816 8.889 1.00 0.00 C ATOM 0 H LEU A 26 56.506 3.724 6.578 1.00 0.00 H new ATOM 0 HA LEU A 26 57.863 5.390 7.031 1.00 0.00 H new ATOM 0 HB2 LEU A 26 60.021 3.766 5.627 1.00 0.00 H new ATOM 0 HB3 LEU A 26 60.318 5.355 6.304 1.00 0.00 H new ATOM 0 HG LEU A 26 59.350 2.965 7.901 1.00 0.00 H new ATOM 0 HD11 LEU A 26 61.647 2.888 8.797 1.00 0.00 H new ATOM 0 HD12 LEU A 26 61.614 2.595 7.041 1.00 0.00 H new ATOM 0 HD13 LEU A 26 62.123 4.180 7.670 1.00 0.00 H new ATOM 0 HD21 LEU A 26 59.972 4.348 9.849 1.00 0.00 H new ATOM 0 HD22 LEU A 26 60.393 5.688 8.755 1.00 0.00 H new ATOM 0 HD23 LEU A 26 58.708 5.126 8.867 1.00 0.00 H new ATOM 376 N ASP A 27 57.040 5.659 4.210 1.00 0.00 N ATOM 377 CA ASP A 27 56.803 6.611 3.129 1.00 0.00 C ATOM 378 C ASP A 27 55.432 7.257 3.287 1.00 0.00 C ATOM 379 O ASP A 27 54.568 6.747 4.008 1.00 0.00 O ATOM 380 CB ASP A 27 56.945 5.962 1.750 1.00 0.00 C ATOM 381 CG ASP A 27 57.548 6.925 0.734 1.00 0.00 C ATOM 382 OD1 ASP A 27 57.047 8.066 0.611 1.00 0.00 O ATOM 383 OD2 ASP A 27 58.554 6.556 0.083 1.00 0.00 O ATOM 0 H ASP A 27 56.319 4.947 4.324 1.00 0.00 H new ATOM 0 HA ASP A 27 57.568 7.385 3.196 1.00 0.00 H new ATOM 0 HB2 ASP A 27 57.573 5.075 1.828 1.00 0.00 H new ATOM 0 HB3 ASP A 27 55.967 5.630 1.401 1.00 0.00 H new ATOM 388 N ASP A 28 55.233 8.376 2.611 1.00 0.00 N ATOM 389 CA ASP A 28 54.073 9.223 2.866 1.00 0.00 C ATOM 390 C ASP A 28 52.966 8.978 1.846 1.00 0.00 C ATOM 391 O ASP A 28 52.844 9.695 0.850 1.00 0.00 O ATOM 392 CB ASP A 28 54.485 10.702 2.872 1.00 0.00 C ATOM 393 CG ASP A 28 53.369 11.651 3.292 1.00 0.00 C ATOM 394 OD1 ASP A 28 52.722 11.398 4.334 1.00 0.00 O ATOM 395 OD2 ASP A 28 53.158 12.669 2.591 1.00 0.00 O ATOM 0 H ASP A 28 55.857 8.721 1.882 1.00 0.00 H new ATOM 0 HA ASP A 28 53.678 8.963 3.848 1.00 0.00 H new ATOM 0 HB2 ASP A 28 55.331 10.831 3.547 1.00 0.00 H new ATOM 0 HB3 ASP A 28 54.827 10.978 1.875 1.00 0.00 H new ATOM 400 N ASP A 29 52.197 7.924 2.079 1.00 0.00 N ATOM 401 CA ASP A 29 50.995 7.658 1.296 1.00 0.00 C ATOM 402 C ASP A 29 49.771 8.078 2.096 1.00 0.00 C ATOM 403 O ASP A 29 49.764 9.143 2.714 1.00 0.00 O ATOM 404 CB ASP A 29 50.903 6.175 0.901 1.00 0.00 C ATOM 405 CG ASP A 29 51.505 5.888 -0.465 1.00 0.00 C ATOM 406 OD1 ASP A 29 50.838 6.189 -1.485 1.00 0.00 O ATOM 407 OD2 ASP A 29 52.631 5.351 -0.526 1.00 0.00 O ATOM 0 H ASP A 29 52.384 7.235 2.807 1.00 0.00 H new ATOM 0 HA ASP A 29 51.041 8.237 0.374 1.00 0.00 H new ATOM 0 HB2 ASP A 29 51.414 5.572 1.652 1.00 0.00 H new ATOM 0 HB3 ASP A 29 49.857 5.868 0.903 1.00 0.00 H new ATOM 412 N CYS A 30 48.735 7.255 2.104 1.00 0.00 N ATOM 413 CA CYS A 30 47.529 7.580 2.819 1.00 0.00 C ATOM 414 C CYS A 30 46.611 6.378 2.852 1.00 0.00 C ATOM 415 O CYS A 30 46.622 5.541 1.950 1.00 0.00 O ATOM 416 CB CYS A 30 46.812 8.789 2.207 1.00 0.00 C ATOM 417 SG CYS A 30 46.317 8.585 0.460 1.00 0.00 S ATOM 0 H CYS A 30 48.713 6.357 1.620 1.00 0.00 H new ATOM 0 HA CYS A 30 47.805 7.850 3.838 1.00 0.00 H new ATOM 0 HB2 CYS A 30 45.922 9.004 2.799 1.00 0.00 H new ATOM 0 HB3 CYS A 30 47.465 9.658 2.286 1.00 0.00 H new ATOM 422 N GLY A 31 45.819 6.315 3.893 1.00 0.00 N ATOM 423 CA GLY A 31 44.898 5.224 4.098 1.00 0.00 C ATOM 424 C GLY A 31 44.210 5.439 5.409 1.00 0.00 C ATOM 425 O GLY A 31 43.028 5.146 5.581 1.00 0.00 O ATOM 0 H GLY A 31 45.795 7.023 4.627 1.00 0.00 H new ATOM 0 HA2 GLY A 31 44.170 5.183 3.288 1.00 0.00 H new ATOM 0 HA3 GLY A 31 45.429 4.272 4.098 1.00 0.00 H new ATOM 429 N ASP A 32 44.986 5.988 6.327 1.00 0.00 N ATOM 430 CA ASP A 32 44.468 6.482 7.599 1.00 0.00 C ATOM 431 C ASP A 32 44.596 8.003 7.644 1.00 0.00 C ATOM 432 O ASP A 32 43.736 8.705 8.173 1.00 0.00 O ATOM 433 CB ASP A 32 45.206 5.833 8.789 1.00 0.00 C ATOM 434 CG ASP A 32 46.723 6.036 8.787 1.00 0.00 C ATOM 435 OD1 ASP A 32 47.255 6.702 7.874 1.00 0.00 O ATOM 436 OD2 ASP A 32 47.389 5.519 9.706 1.00 0.00 O ATOM 0 H ASP A 32 45.993 6.106 6.216 1.00 0.00 H new ATOM 0 HA ASP A 32 43.416 6.210 7.680 1.00 0.00 H new ATOM 0 HB2 ASP A 32 44.800 6.238 9.716 1.00 0.00 H new ATOM 0 HB3 ASP A 32 44.996 4.763 8.790 1.00 0.00 H new ATOM 441 N ARG A 33 45.673 8.489 7.047 1.00 0.00 N ATOM 442 CA ARG A 33 46.004 9.902 7.006 1.00 0.00 C ATOM 443 C ARG A 33 47.263 10.076 6.173 1.00 0.00 C ATOM 444 O ARG A 33 47.233 10.675 5.104 1.00 0.00 O ATOM 445 CB ARG A 33 46.240 10.427 8.422 1.00 0.00 C ATOM 446 CG ARG A 33 46.690 11.876 8.491 1.00 0.00 C ATOM 447 CD ARG A 33 47.056 12.258 9.917 1.00 0.00 C ATOM 448 NE ARG A 33 47.545 13.631 10.025 1.00 0.00 N ATOM 449 CZ ARG A 33 48.139 14.128 11.115 1.00 0.00 C ATOM 450 NH1 ARG A 33 48.343 13.358 12.180 1.00 0.00 N ATOM 451 NH2 ARG A 33 48.546 15.389 11.140 1.00 0.00 N ATOM 0 H ARG A 33 46.354 7.899 6.568 1.00 0.00 H new ATOM 0 HA ARG A 33 45.181 10.463 6.563 1.00 0.00 H new ATOM 0 HB2 ARG A 33 45.319 10.319 8.994 1.00 0.00 H new ATOM 0 HB3 ARG A 33 46.991 9.803 8.906 1.00 0.00 H new ATOM 0 HG2 ARG A 33 47.549 12.027 7.837 1.00 0.00 H new ATOM 0 HG3 ARG A 33 45.895 12.527 8.128 1.00 0.00 H new ATOM 0 HD2 ARG A 33 46.182 12.136 10.557 1.00 0.00 H new ATOM 0 HD3 ARG A 33 47.820 11.574 10.287 1.00 0.00 H new ATOM 0 HE ARG A 33 47.426 14.247 9.221 1.00 0.00 H new ATOM 0 HH11 ARG A 33 48.046 12.382 12.168 1.00 0.00 H new ATOM 0 HH12 ARG A 33 48.797 13.743 13.008 1.00 0.00 H new ATOM 0 HH21 ARG A 33 48.407 15.986 10.325 1.00 0.00 H new ATOM 0 HH22 ARG A 33 48.998 15.762 11.974 1.00 0.00 H new ATOM 465 N SER A 34 48.354 9.503 6.671 1.00 0.00 N ATOM 466 CA SER A 34 49.637 9.516 5.976 1.00 0.00 C ATOM 467 C SER A 34 50.178 8.092 5.872 1.00 0.00 C ATOM 468 O SER A 34 51.299 7.872 5.419 1.00 0.00 O ATOM 469 CB SER A 34 50.630 10.406 6.721 1.00 0.00 C ATOM 470 OG SER A 34 50.155 11.741 6.803 1.00 0.00 O ATOM 0 H SER A 34 48.374 9.017 7.567 1.00 0.00 H new ATOM 0 HA SER A 34 49.497 9.918 4.973 1.00 0.00 H new ATOM 0 HB2 SER A 34 50.795 10.013 7.724 1.00 0.00 H new ATOM 0 HB3 SER A 34 51.593 10.390 6.210 1.00 0.00 H new ATOM 0 HG SER A 34 50.807 12.291 7.286 1.00 0.00 H new ATOM 476 N ASP A 35 49.359 7.141 6.330 1.00 0.00 N ATOM 477 CA ASP A 35 49.660 5.715 6.244 1.00 0.00 C ATOM 478 C ASP A 35 50.829 5.340 7.135 1.00 0.00 C ATOM 479 O ASP A 35 51.555 4.390 6.866 1.00 0.00 O ATOM 480 CB ASP A 35 49.911 5.307 4.806 1.00 0.00 C ATOM 481 CG ASP A 35 49.121 4.076 4.471 1.00 0.00 C ATOM 482 OD1 ASP A 35 47.878 4.131 4.585 1.00 0.00 O ATOM 483 OD2 ASP A 35 49.729 3.058 4.130 1.00 0.00 O ATOM 0 H ASP A 35 48.463 7.344 6.773 1.00 0.00 H new ATOM 0 HA ASP A 35 48.790 5.166 6.604 1.00 0.00 H new ATOM 0 HB2 ASP A 35 49.633 6.120 4.136 1.00 0.00 H new ATOM 0 HB3 ASP A 35 50.974 5.118 4.654 1.00 0.00 H new ATOM 488 N GLU A 36 50.976 6.084 8.224 1.00 0.00 N ATOM 489 CA GLU A 36 51.999 5.803 9.216 1.00 0.00 C ATOM 490 C GLU A 36 51.439 5.916 10.631 1.00 0.00 C ATOM 491 O GLU A 36 52.028 6.559 11.499 1.00 0.00 O ATOM 492 CB GLU A 36 53.196 6.739 9.036 1.00 0.00 C ATOM 493 CG GLU A 36 54.093 6.349 7.881 1.00 0.00 C ATOM 494 CD GLU A 36 54.686 4.961 8.058 1.00 0.00 C ATOM 495 OE1 GLU A 36 54.962 4.576 9.218 1.00 0.00 O ATOM 496 OE2 GLU A 36 54.877 4.253 7.051 1.00 0.00 O ATOM 0 H GLU A 36 50.393 6.892 8.441 1.00 0.00 H new ATOM 0 HA GLU A 36 52.336 4.777 9.068 1.00 0.00 H new ATOM 0 HB2 GLU A 36 52.833 7.755 8.878 1.00 0.00 H new ATOM 0 HB3 GLU A 36 53.782 6.749 9.955 1.00 0.00 H new ATOM 0 HG2 GLU A 36 53.523 6.383 6.953 1.00 0.00 H new ATOM 0 HG3 GLU A 36 54.899 7.077 7.787 1.00 0.00 H new ATOM 503 N SER A 37 50.287 5.294 10.862 1.00 0.00 N ATOM 504 CA SER A 37 49.689 5.276 12.193 1.00 0.00 C ATOM 505 C SER A 37 48.873 4.000 12.440 1.00 0.00 C ATOM 506 O SER A 37 49.170 3.241 13.363 1.00 0.00 O ATOM 507 CB SER A 37 48.810 6.516 12.393 1.00 0.00 C ATOM 508 OG SER A 37 49.574 7.703 12.259 1.00 0.00 O ATOM 0 H SER A 37 49.751 4.798 10.149 1.00 0.00 H new ATOM 0 HA SER A 37 50.502 5.288 12.919 1.00 0.00 H new ATOM 0 HB2 SER A 37 48.001 6.515 11.663 1.00 0.00 H new ATOM 0 HB3 SER A 37 48.349 6.485 13.380 1.00 0.00 H new ATOM 0 HG SER A 37 48.994 8.482 12.389 1.00 0.00 H new ATOM 514 N ALA A 38 47.864 3.769 11.601 1.00 0.00 N ATOM 515 CA ALA A 38 46.883 2.699 11.813 1.00 0.00 C ATOM 516 C ALA A 38 47.516 1.317 11.988 1.00 0.00 C ATOM 517 O ALA A 38 47.421 0.718 13.057 1.00 0.00 O ATOM 518 CB ALA A 38 45.884 2.665 10.665 1.00 0.00 C ATOM 0 H ALA A 38 47.701 4.316 10.756 1.00 0.00 H new ATOM 0 HA ALA A 38 46.375 2.933 12.748 1.00 0.00 H new ATOM 0 HB1 ALA A 38 45.162 1.867 10.835 1.00 0.00 H new ATOM 0 HB2 ALA A 38 45.362 3.620 10.608 1.00 0.00 H new ATOM 0 HB3 ALA A 38 46.412 2.484 9.729 1.00 0.00 H new ATOM 524 N SER A 39 48.152 0.809 10.940 1.00 0.00 N ATOM 525 CA SER A 39 48.686 -0.550 10.965 1.00 0.00 C ATOM 526 C SER A 39 50.208 -0.519 11.048 1.00 0.00 C ATOM 527 O SER A 39 50.874 -1.554 11.018 1.00 0.00 O ATOM 528 CB SER A 39 48.229 -1.310 9.704 1.00 0.00 C ATOM 529 OG SER A 39 48.631 -2.669 9.740 1.00 0.00 O ATOM 0 H SER A 39 48.311 1.312 10.067 1.00 0.00 H new ATOM 0 HA SER A 39 48.306 -1.067 11.846 1.00 0.00 H new ATOM 0 HB2 SER A 39 47.144 -1.253 9.617 1.00 0.00 H new ATOM 0 HB3 SER A 39 48.645 -0.830 8.818 1.00 0.00 H new ATOM 0 HG SER A 39 49.467 -2.749 10.244 1.00 0.00 H new ATOM 535 N CYS A 40 50.740 0.681 11.178 1.00 0.00 N ATOM 536 CA CYS A 40 52.164 0.921 11.086 1.00 0.00 C ATOM 537 C CYS A 40 52.891 0.711 12.410 1.00 0.00 C ATOM 538 O CYS A 40 53.811 1.452 12.747 1.00 0.00 O ATOM 539 CB CYS A 40 52.339 2.340 10.576 1.00 0.00 C ATOM 540 SG CYS A 40 51.102 2.761 9.307 1.00 0.00 S ATOM 0 H CYS A 40 50.190 1.522 11.352 1.00 0.00 H new ATOM 0 HA CYS A 40 52.613 0.199 10.404 1.00 0.00 H new ATOM 0 HB2 CYS A 40 52.257 3.038 11.409 1.00 0.00 H new ATOM 0 HB3 CYS A 40 53.340 2.456 10.160 1.00 0.00 H new ATOM 545 N ALA A 41 52.503 -0.321 13.141 1.00 0.00 N ATOM 546 CA ALA A 41 53.239 -0.719 14.330 1.00 0.00 C ATOM 547 C ALA A 41 54.259 -1.784 13.945 1.00 0.00 C ATOM 548 O ALA A 41 54.092 -2.965 14.247 1.00 0.00 O ATOM 549 CB ALA A 41 52.295 -1.232 15.408 1.00 0.00 C ATOM 0 H ALA A 41 51.687 -0.896 12.934 1.00 0.00 H new ATOM 0 HA ALA A 41 53.758 0.147 14.741 1.00 0.00 H new ATOM 0 HB1 ALA A 41 52.870 -1.523 16.287 1.00 0.00 H new ATOM 0 HB2 ALA A 41 51.591 -0.445 15.679 1.00 0.00 H new ATOM 0 HB3 ALA A 41 51.747 -2.095 15.031 1.00 0.00 H new ATOM 555 N TYR A 42 55.298 -1.360 13.239 1.00 0.00 N ATOM 556 CA TYR A 42 56.244 -2.294 12.650 1.00 0.00 C ATOM 557 C TYR A 42 57.647 -2.123 13.214 1.00 0.00 C ATOM 558 O TYR A 42 58.123 -1.005 13.404 1.00 0.00 O ATOM 559 CB TYR A 42 56.278 -2.129 11.124 1.00 0.00 C ATOM 560 CG TYR A 42 56.514 -0.708 10.645 1.00 0.00 C ATOM 561 CD1 TYR A 42 57.790 -0.150 10.634 1.00 0.00 C ATOM 562 CD2 TYR A 42 55.463 0.070 10.187 1.00 0.00 C ATOM 563 CE1 TYR A 42 58.004 1.137 10.184 1.00 0.00 C ATOM 564 CE2 TYR A 42 55.669 1.358 9.738 1.00 0.00 C ATOM 565 CZ TYR A 42 56.939 1.886 9.736 1.00 0.00 C ATOM 566 OH TYR A 42 57.148 3.159 9.277 1.00 0.00 O ATOM 0 H TYR A 42 55.506 -0.377 13.061 1.00 0.00 H new ATOM 0 HA TYR A 42 55.902 -3.297 12.904 1.00 0.00 H new ATOM 0 HB2 TYR A 42 57.063 -2.769 10.720 1.00 0.00 H new ATOM 0 HB3 TYR A 42 55.333 -2.485 10.713 1.00 0.00 H new ATOM 0 HD1 TYR A 42 58.627 -0.735 10.984 1.00 0.00 H new ATOM 0 HD2 TYR A 42 54.464 -0.340 10.181 1.00 0.00 H new ATOM 0 HE1 TYR A 42 59.000 1.554 10.183 1.00 0.00 H new ATOM 0 HE2 TYR A 42 54.836 1.950 9.389 1.00 0.00 H new ATOM 0 HH TYR A 42 56.442 3.749 9.615 1.00 0.00 H new ATOM 576 N PRO A 43 58.313 -3.241 13.522 1.00 0.00 N ATOM 577 CA PRO A 43 59.727 -3.269 13.844 1.00 0.00 C ATOM 578 C PRO A 43 60.568 -3.737 12.654 1.00 0.00 C ATOM 579 O PRO A 43 61.743 -4.060 12.800 1.00 0.00 O ATOM 580 CB PRO A 43 59.765 -4.305 14.965 1.00 0.00 C ATOM 581 CG PRO A 43 58.650 -5.263 14.652 1.00 0.00 C ATOM 582 CD PRO A 43 57.724 -4.578 13.667 1.00 0.00 C ATOM 0 HA PRO A 43 60.132 -2.293 14.112 1.00 0.00 H new ATOM 0 HB2 PRO A 43 60.727 -4.817 14.996 1.00 0.00 H new ATOM 0 HB3 PRO A 43 59.621 -3.837 15.939 1.00 0.00 H new ATOM 0 HG2 PRO A 43 59.045 -6.186 14.228 1.00 0.00 H new ATOM 0 HG3 PRO A 43 58.111 -5.534 15.560 1.00 0.00 H new ATOM 0 HD2 PRO A 43 57.688 -5.107 12.715 1.00 0.00 H new ATOM 0 HD3 PRO A 43 56.702 -4.529 14.043 1.00 0.00 H new ATOM 590 N THR A 44 59.952 -3.771 11.473 1.00 0.00 N ATOM 591 CA THR A 44 60.586 -4.352 10.295 1.00 0.00 C ATOM 592 C THR A 44 60.124 -3.660 9.007 1.00 0.00 C ATOM 593 O THR A 44 60.323 -4.187 7.912 1.00 0.00 O ATOM 594 CB THR A 44 60.251 -5.863 10.208 1.00 0.00 C ATOM 595 OG1 THR A 44 60.960 -6.476 9.125 1.00 0.00 O ATOM 596 CG2 THR A 44 58.747 -6.079 10.026 1.00 0.00 C ATOM 0 H THR A 44 59.015 -3.403 11.309 1.00 0.00 H new ATOM 0 HA THR A 44 61.662 -4.211 10.395 1.00 0.00 H new ATOM 0 HB THR A 44 60.562 -6.327 11.144 1.00 0.00 H new ATOM 0 HG1 THR A 44 60.964 -5.872 8.353 1.00 0.00 H new ATOM 0 HG21 THR A 44 58.537 -7.147 9.968 1.00 0.00 H new ATOM 0 HG22 THR A 44 58.213 -5.650 10.874 1.00 0.00 H new ATOM 0 HG23 THR A 44 58.418 -5.594 9.107 1.00 0.00 H new ATOM 604 N CYS A 45 59.540 -2.469 9.136 1.00 0.00 N ATOM 605 CA CYS A 45 58.880 -1.809 8.009 1.00 0.00 C ATOM 606 C CYS A 45 57.810 -2.735 7.429 1.00 0.00 C ATOM 607 O CYS A 45 56.949 -3.219 8.167 1.00 0.00 O ATOM 608 CB CYS A 45 59.890 -1.394 6.933 1.00 0.00 C ATOM 609 SG CYS A 45 61.124 -0.184 7.496 1.00 0.00 S ATOM 0 H CYS A 45 59.510 -1.942 10.009 1.00 0.00 H new ATOM 0 HA CYS A 45 58.404 -0.897 8.370 1.00 0.00 H new ATOM 0 HB2 CYS A 45 60.407 -2.284 6.574 1.00 0.00 H new ATOM 0 HB3 CYS A 45 59.349 -0.976 6.084 1.00 0.00 H new ATOM 614 N PHE A 46 57.873 -3.018 6.135 1.00 0.00 N ATOM 615 CA PHE A 46 56.874 -3.868 5.520 1.00 0.00 C ATOM 616 C PHE A 46 57.513 -4.999 4.725 1.00 0.00 C ATOM 617 O PHE A 46 58.142 -4.773 3.696 1.00 0.00 O ATOM 618 CB PHE A 46 55.959 -3.040 4.631 1.00 0.00 C ATOM 619 CG PHE A 46 54.513 -3.299 4.906 1.00 0.00 C ATOM 620 CD1 PHE A 46 54.060 -3.417 6.210 1.00 0.00 C ATOM 621 CD2 PHE A 46 53.615 -3.429 3.872 1.00 0.00 C ATOM 622 CE1 PHE A 46 52.732 -3.663 6.475 1.00 0.00 C ATOM 623 CE2 PHE A 46 52.283 -3.674 4.125 1.00 0.00 C ATOM 624 CZ PHE A 46 51.836 -3.790 5.431 1.00 0.00 C ATOM 0 H PHE A 46 58.596 -2.675 5.502 1.00 0.00 H new ATOM 0 HA PHE A 46 56.282 -4.321 6.315 1.00 0.00 H new ATOM 0 HB2 PHE A 46 56.171 -1.981 4.781 1.00 0.00 H new ATOM 0 HB3 PHE A 46 56.173 -3.263 3.586 1.00 0.00 H new ATOM 0 HD1 PHE A 46 54.757 -3.315 7.028 1.00 0.00 H new ATOM 0 HD2 PHE A 46 53.958 -3.338 2.852 1.00 0.00 H new ATOM 0 HE1 PHE A 46 52.391 -3.756 7.496 1.00 0.00 H new ATOM 0 HE2 PHE A 46 51.587 -3.776 3.305 1.00 0.00 H new ATOM 0 HZ PHE A 46 50.792 -3.979 5.632 1.00 0.00 H new ATOM 634 N PRO A 47 57.345 -6.242 5.190 1.00 0.00 N ATOM 635 CA PRO A 47 57.940 -7.416 4.553 1.00 0.00 C ATOM 636 C PRO A 47 57.108 -7.940 3.381 1.00 0.00 C ATOM 637 O PRO A 47 57.061 -9.145 3.138 1.00 0.00 O ATOM 638 CB PRO A 47 57.960 -8.434 5.691 1.00 0.00 C ATOM 639 CG PRO A 47 56.765 -8.099 6.514 1.00 0.00 C ATOM 640 CD PRO A 47 56.567 -6.605 6.390 1.00 0.00 C ATOM 0 HA PRO A 47 58.917 -7.201 4.121 1.00 0.00 H new ATOM 0 HB2 PRO A 47 57.907 -9.454 5.311 1.00 0.00 H new ATOM 0 HB3 PRO A 47 58.877 -8.358 6.275 1.00 0.00 H new ATOM 0 HG2 PRO A 47 55.886 -8.638 6.160 1.00 0.00 H new ATOM 0 HG3 PRO A 47 56.917 -8.386 7.555 1.00 0.00 H new ATOM 0 HD2 PRO A 47 55.514 -6.350 6.275 1.00 0.00 H new ATOM 0 HD3 PRO A 47 56.928 -6.079 7.274 1.00 0.00 H new ATOM 648 N LEU A 48 56.467 -7.038 2.646 1.00 0.00 N ATOM 649 CA LEU A 48 55.637 -7.444 1.522 1.00 0.00 C ATOM 650 C LEU A 48 56.418 -7.410 0.212 1.00 0.00 C ATOM 651 O LEU A 48 56.515 -8.420 -0.479 1.00 0.00 O ATOM 652 CB LEU A 48 54.368 -6.585 1.429 1.00 0.00 C ATOM 653 CG LEU A 48 53.338 -6.847 2.535 1.00 0.00 C ATOM 654 CD1 LEU A 48 52.019 -6.169 2.210 1.00 0.00 C ATOM 655 CD2 LEU A 48 53.124 -8.338 2.733 1.00 0.00 C ATOM 0 H LEU A 48 56.506 -6.032 2.807 1.00 0.00 H new ATOM 0 HA LEU A 48 55.331 -8.475 1.698 1.00 0.00 H new ATOM 0 HB2 LEU A 48 54.654 -5.534 1.458 1.00 0.00 H new ATOM 0 HB3 LEU A 48 53.896 -6.760 0.462 1.00 0.00 H new ATOM 0 HG LEU A 48 53.728 -6.427 3.462 1.00 0.00 H new ATOM 0 HD11 LEU A 48 51.302 -6.367 3.007 1.00 0.00 H new ATOM 0 HD12 LEU A 48 52.175 -5.094 2.121 1.00 0.00 H new ATOM 0 HD13 LEU A 48 51.632 -6.559 1.269 1.00 0.00 H new ATOM 0 HD21 LEU A 48 52.390 -8.499 3.522 1.00 0.00 H new ATOM 0 HD22 LEU A 48 52.762 -8.780 1.805 1.00 0.00 H new ATOM 0 HD23 LEU A 48 54.067 -8.807 3.014 1.00 0.00 H new ATOM 667 N THR A 49 56.971 -6.253 -0.130 1.00 0.00 N ATOM 668 CA THR A 49 57.745 -6.119 -1.351 1.00 0.00 C ATOM 669 C THR A 49 58.528 -4.804 -1.358 1.00 0.00 C ATOM 670 O THR A 49 58.067 -3.775 -1.857 1.00 0.00 O ATOM 671 CB THR A 49 56.841 -6.262 -2.605 1.00 0.00 C ATOM 672 OG1 THR A 49 57.577 -6.004 -3.802 1.00 0.00 O ATOM 673 CG2 THR A 49 55.619 -5.351 -2.541 1.00 0.00 C ATOM 0 H THR A 49 56.897 -5.398 0.421 1.00 0.00 H new ATOM 0 HA THR A 49 58.471 -6.931 -1.386 1.00 0.00 H new ATOM 0 HB THR A 49 56.489 -7.294 -2.619 1.00 0.00 H new ATOM 0 HG1 THR A 49 56.986 -6.102 -4.577 1.00 0.00 H new ATOM 0 HG21 THR A 49 55.017 -5.486 -3.440 1.00 0.00 H new ATOM 0 HG22 THR A 49 55.023 -5.603 -1.664 1.00 0.00 H new ATOM 0 HG23 THR A 49 55.943 -4.312 -2.474 1.00 0.00 H new ATOM 681 N GLN A 50 59.717 -4.847 -0.763 1.00 0.00 N ATOM 682 CA GLN A 50 60.563 -3.671 -0.640 1.00 0.00 C ATOM 683 C GLN A 50 61.963 -4.064 -0.164 1.00 0.00 C ATOM 684 O GLN A 50 62.295 -5.247 -0.117 1.00 0.00 O ATOM 685 CB GLN A 50 59.940 -2.651 0.319 1.00 0.00 C ATOM 686 CG GLN A 50 59.802 -3.138 1.747 1.00 0.00 C ATOM 687 CD GLN A 50 59.306 -2.054 2.681 1.00 0.00 C ATOM 688 OE1 GLN A 50 59.629 -2.049 3.870 1.00 0.00 O ATOM 689 NE2 GLN A 50 58.522 -1.125 2.151 1.00 0.00 N ATOM 0 H GLN A 50 60.116 -5.693 -0.356 1.00 0.00 H new ATOM 0 HA GLN A 50 60.648 -3.209 -1.624 1.00 0.00 H new ATOM 0 HB2 GLN A 50 60.548 -1.747 0.314 1.00 0.00 H new ATOM 0 HB3 GLN A 50 58.954 -2.374 -0.055 1.00 0.00 H new ATOM 0 HG2 GLN A 50 59.112 -3.982 1.775 1.00 0.00 H new ATOM 0 HG3 GLN A 50 60.767 -3.503 2.098 1.00 0.00 H new ATOM 0 HE21 GLN A 50 58.279 -1.167 1.161 1.00 0.00 H new ATOM 0 HE22 GLN A 50 58.162 -0.369 2.733 1.00 0.00 H new ATOM 698 N PHE A 51 62.771 -3.068 0.183 1.00 0.00 N ATOM 699 CA PHE A 51 64.141 -3.296 0.641 1.00 0.00 C ATOM 700 C PHE A 51 64.479 -2.301 1.754 1.00 0.00 C ATOM 701 O PHE A 51 63.830 -1.267 1.873 1.00 0.00 O ATOM 702 CB PHE A 51 65.113 -3.141 -0.540 1.00 0.00 C ATOM 703 CG PHE A 51 66.541 -3.502 -0.226 1.00 0.00 C ATOM 704 CD1 PHE A 51 66.938 -4.827 -0.163 1.00 0.00 C ATOM 705 CD2 PHE A 51 67.491 -2.515 -0.003 1.00 0.00 C ATOM 706 CE1 PHE A 51 68.248 -5.159 0.124 1.00 0.00 C ATOM 707 CE2 PHE A 51 68.798 -2.841 0.284 1.00 0.00 C ATOM 708 CZ PHE A 51 69.180 -4.164 0.348 1.00 0.00 C ATOM 0 H PHE A 51 62.499 -2.085 0.156 1.00 0.00 H new ATOM 0 HA PHE A 51 64.234 -4.308 1.036 1.00 0.00 H new ATOM 0 HB2 PHE A 51 64.766 -3.765 -1.364 1.00 0.00 H new ATOM 0 HB3 PHE A 51 65.081 -2.108 -0.887 1.00 0.00 H new ATOM 0 HD1 PHE A 51 66.215 -5.610 -0.340 1.00 0.00 H new ATOM 0 HD2 PHE A 51 67.201 -1.476 -0.055 1.00 0.00 H new ATOM 0 HE1 PHE A 51 68.544 -6.197 0.173 1.00 0.00 H new ATOM 0 HE2 PHE A 51 69.523 -2.060 0.459 1.00 0.00 H new ATOM 0 HZ PHE A 51 70.204 -4.422 0.573 1.00 0.00 H new ATOM 718 N THR A 52 65.485 -2.600 2.563 1.00 0.00 N ATOM 719 CA THR A 52 65.844 -1.722 3.667 1.00 0.00 C ATOM 720 C THR A 52 67.155 -0.987 3.390 1.00 0.00 C ATOM 721 O THR A 52 68.227 -1.589 3.365 1.00 0.00 O ATOM 722 CB THR A 52 65.967 -2.516 4.983 1.00 0.00 C ATOM 723 OG1 THR A 52 64.780 -3.289 5.192 1.00 0.00 O ATOM 724 CG2 THR A 52 66.171 -1.580 6.162 1.00 0.00 C ATOM 0 H THR A 52 66.063 -3.436 2.477 1.00 0.00 H new ATOM 0 HA THR A 52 65.046 -0.986 3.767 1.00 0.00 H new ATOM 0 HB THR A 52 66.831 -3.176 4.906 1.00 0.00 H new ATOM 0 HG1 THR A 52 64.861 -3.794 6.028 1.00 0.00 H new ATOM 0 HG21 THR A 52 66.255 -2.163 7.079 1.00 0.00 H new ATOM 0 HG22 THR A 52 67.083 -1.002 6.014 1.00 0.00 H new ATOM 0 HG23 THR A 52 65.321 -0.902 6.240 1.00 0.00 H new ATOM 732 N CYS A 53 67.055 0.315 3.158 1.00 0.00 N ATOM 733 CA CYS A 53 68.229 1.152 2.941 1.00 0.00 C ATOM 734 C CYS A 53 69.049 1.286 4.221 1.00 0.00 C ATOM 735 O CYS A 53 68.495 1.364 5.318 1.00 0.00 O ATOM 736 CB CYS A 53 67.806 2.523 2.430 1.00 0.00 C ATOM 737 SG CYS A 53 69.185 3.580 1.884 1.00 0.00 S ATOM 0 H CYS A 53 66.168 0.817 3.115 1.00 0.00 H new ATOM 0 HA CYS A 53 68.858 0.675 2.189 1.00 0.00 H new ATOM 0 HB2 CYS A 53 67.115 2.390 1.598 1.00 0.00 H new ATOM 0 HB3 CYS A 53 67.259 3.039 3.219 1.00 0.00 H new ATOM 742 N ASN A 54 70.375 1.321 4.074 1.00 0.00 N ATOM 743 CA ASN A 54 71.274 1.423 5.228 1.00 0.00 C ATOM 744 C ASN A 54 71.226 2.822 5.825 1.00 0.00 C ATOM 745 O ASN A 54 71.772 3.069 6.901 1.00 0.00 O ATOM 746 CB ASN A 54 72.716 1.061 4.851 1.00 0.00 C ATOM 747 CG ASN A 54 72.946 -0.440 4.726 1.00 0.00 C ATOM 748 OD1 ASN A 54 74.043 -0.932 4.989 1.00 0.00 O ATOM 749 ND2 ASN A 54 71.919 -1.176 4.323 1.00 0.00 N ATOM 0 H ASN A 54 70.850 1.280 3.172 1.00 0.00 H new ATOM 0 HA ASN A 54 70.929 0.708 5.975 1.00 0.00 H new ATOM 0 HB2 ASN A 54 72.969 1.541 3.905 1.00 0.00 H new ATOM 0 HB3 ASN A 54 73.393 1.464 5.604 1.00 0.00 H new ATOM 0 HD21 ASN A 54 72.024 -2.186 4.222 1.00 0.00 H new ATOM 0 HD22 ASN A 54 71.025 -0.732 4.114 1.00 0.00 H new ATOM 756 N ASN A 55 70.550 3.729 5.123 1.00 0.00 N ATOM 757 CA ASN A 55 70.286 5.065 5.628 1.00 0.00 C ATOM 758 C ASN A 55 69.368 4.986 6.846 1.00 0.00 C ATOM 759 O ASN A 55 69.160 5.967 7.556 1.00 0.00 O ATOM 760 CB ASN A 55 69.633 5.900 4.519 1.00 0.00 C ATOM 761 CG ASN A 55 69.540 7.380 4.841 1.00 0.00 C ATOM 762 OD1 ASN A 55 68.532 7.853 5.368 1.00 0.00 O ATOM 763 ND2 ASN A 55 70.576 8.127 4.494 1.00 0.00 N ATOM 0 H ASN A 55 70.173 3.555 4.191 1.00 0.00 H new ATOM 0 HA ASN A 55 71.221 5.538 5.930 1.00 0.00 H new ATOM 0 HB2 ASN A 55 70.203 5.773 3.598 1.00 0.00 H new ATOM 0 HB3 ASN A 55 68.631 5.515 4.330 1.00 0.00 H new ATOM 0 HD21 ASN A 55 70.558 9.133 4.661 1.00 0.00 H new ATOM 0 HD22 ASN A 55 71.392 7.697 4.060 1.00 0.00 H new ATOM 770 N GLY A 56 68.827 3.793 7.080 1.00 0.00 N ATOM 771 CA GLY A 56 67.887 3.589 8.158 1.00 0.00 C ATOM 772 C GLY A 56 66.472 3.589 7.640 1.00 0.00 C ATOM 773 O GLY A 56 65.528 3.283 8.363 1.00 0.00 O ATOM 0 H GLY A 56 69.029 2.957 6.532 1.00 0.00 H new ATOM 0 HA2 GLY A 56 68.097 2.642 8.656 1.00 0.00 H new ATOM 0 HA3 GLY A 56 68.006 4.375 8.904 1.00 0.00 H new ATOM 777 N ARG A 57 66.334 3.936 6.369 1.00 0.00 N ATOM 778 CA ARG A 57 65.035 4.045 5.747 1.00 0.00 C ATOM 779 C ARG A 57 64.684 2.731 5.068 1.00 0.00 C ATOM 780 O ARG A 57 65.562 1.916 4.796 1.00 0.00 O ATOM 781 CB ARG A 57 65.063 5.170 4.720 1.00 0.00 C ATOM 782 CG ARG A 57 65.793 4.785 3.453 1.00 0.00 C ATOM 783 CD ARG A 57 66.196 5.992 2.647 1.00 0.00 C ATOM 784 NE ARG A 57 65.039 6.726 2.133 1.00 0.00 N ATOM 785 CZ ARG A 57 65.121 7.720 1.247 1.00 0.00 C ATOM 786 NH1 ARG A 57 66.304 8.104 0.778 1.00 0.00 N ATOM 787 NH2 ARG A 57 64.017 8.329 0.828 1.00 0.00 N ATOM 0 H ARG A 57 67.116 4.147 5.749 1.00 0.00 H new ATOM 0 HA ARG A 57 64.282 4.266 6.504 1.00 0.00 H new ATOM 0 HB2 ARG A 57 64.041 5.456 4.473 1.00 0.00 H new ATOM 0 HB3 ARG A 57 65.542 6.045 5.159 1.00 0.00 H new ATOM 0 HG2 ARG A 57 66.681 4.206 3.707 1.00 0.00 H new ATOM 0 HG3 ARG A 57 65.155 4.141 2.848 1.00 0.00 H new ATOM 0 HD2 ARG A 57 66.799 6.656 3.267 1.00 0.00 H new ATOM 0 HD3 ARG A 57 66.824 5.677 1.813 1.00 0.00 H new ATOM 0 HE ARG A 57 64.114 6.462 2.473 1.00 0.00 H new ATOM 0 HH11 ARG A 57 67.154 7.638 1.095 1.00 0.00 H new ATOM 0 HH12 ARG A 57 66.362 8.864 0.101 1.00 0.00 H new ATOM 0 HH21 ARG A 57 63.107 8.037 1.184 1.00 0.00 H new ATOM 0 HH22 ARG A 57 64.080 9.089 0.151 1.00 0.00 H new ATOM 801 N CYS A 58 63.423 2.533 4.766 1.00 0.00 N ATOM 802 CA CYS A 58 63.028 1.400 3.957 1.00 0.00 C ATOM 803 C CYS A 58 62.589 1.889 2.588 1.00 0.00 C ATOM 804 O CYS A 58 61.872 2.878 2.470 1.00 0.00 O ATOM 805 CB CYS A 58 61.946 0.584 4.661 1.00 0.00 C ATOM 806 SG CYS A 58 62.589 -0.334 6.103 1.00 0.00 S ATOM 0 H CYS A 58 62.656 3.136 5.065 1.00 0.00 H new ATOM 0 HA CYS A 58 63.877 0.731 3.818 1.00 0.00 H new ATOM 0 HB2 CYS A 58 61.147 1.250 4.986 1.00 0.00 H new ATOM 0 HB3 CYS A 58 61.507 -0.119 3.953 1.00 0.00 H new ATOM 811 N ILE A 59 63.078 1.225 1.558 1.00 0.00 N ATOM 812 CA ILE A 59 62.870 1.663 0.192 1.00 0.00 C ATOM 813 C ILE A 59 62.061 0.629 -0.576 1.00 0.00 C ATOM 814 O ILE A 59 61.795 -0.451 -0.065 1.00 0.00 O ATOM 815 CB ILE A 59 64.211 1.879 -0.534 1.00 0.00 C ATOM 816 CG1 ILE A 59 65.020 0.580 -0.522 1.00 0.00 C ATOM 817 CG2 ILE A 59 64.990 3.012 0.114 1.00 0.00 C ATOM 818 CD1 ILE A 59 66.266 0.632 -1.366 1.00 0.00 C ATOM 0 H ILE A 59 63.628 0.370 1.644 1.00 0.00 H new ATOM 0 HA ILE A 59 62.328 2.608 0.230 1.00 0.00 H new ATOM 0 HB ILE A 59 64.016 2.158 -1.570 1.00 0.00 H new ATOM 0 HG12 ILE A 59 65.298 0.346 0.506 1.00 0.00 H new ATOM 0 HG13 ILE A 59 64.387 -0.234 -0.875 1.00 0.00 H new ATOM 0 HG21 ILE A 59 65.935 3.151 -0.411 1.00 0.00 H new ATOM 0 HG22 ILE A 59 64.407 3.931 0.061 1.00 0.00 H new ATOM 0 HG23 ILE A 59 65.188 2.767 1.158 1.00 0.00 H new ATOM 0 HD11 ILE A 59 66.786 -0.324 -1.307 1.00 0.00 H new ATOM 0 HD12 ILE A 59 65.995 0.835 -2.402 1.00 0.00 H new ATOM 0 HD13 ILE A 59 66.920 1.424 -1.001 1.00 0.00 H new ATOM 830 N ASN A 60 61.699 0.942 -1.810 1.00 0.00 N ATOM 831 CA ASN A 60 60.934 0.010 -2.627 1.00 0.00 C ATOM 832 C ASN A 60 61.873 -0.983 -3.315 1.00 0.00 C ATOM 833 O ASN A 60 63.030 -0.663 -3.584 1.00 0.00 O ATOM 834 CB ASN A 60 60.092 0.769 -3.656 1.00 0.00 C ATOM 835 CG ASN A 60 59.077 -0.122 -4.346 1.00 0.00 C ATOM 836 OD1 ASN A 60 59.359 -0.709 -5.384 1.00 0.00 O ATOM 837 ND2 ASN A 60 57.889 -0.233 -3.768 1.00 0.00 N ATOM 0 H ASN A 60 61.920 1.827 -2.266 1.00 0.00 H new ATOM 0 HA ASN A 60 60.257 -0.550 -1.982 1.00 0.00 H new ATOM 0 HB2 ASN A 60 59.573 1.590 -3.162 1.00 0.00 H new ATOM 0 HB3 ASN A 60 60.750 1.212 -4.404 1.00 0.00 H new ATOM 0 HD21 ASN A 60 57.171 -0.824 -4.187 1.00 0.00 H new ATOM 0 HD22 ASN A 60 57.693 0.272 -2.904 1.00 0.00 H new ATOM 844 N ILE A 61 61.369 -2.180 -3.599 1.00 0.00 N ATOM 845 CA ILE A 61 62.192 -3.268 -4.128 1.00 0.00 C ATOM 846 C ILE A 61 62.463 -3.105 -5.634 1.00 0.00 C ATOM 847 O ILE A 61 63.106 -3.949 -6.258 1.00 0.00 O ATOM 848 CB ILE A 61 61.517 -4.634 -3.868 1.00 0.00 C ATOM 849 CG1 ILE A 61 62.530 -5.775 -4.024 1.00 0.00 C ATOM 850 CG2 ILE A 61 60.330 -4.829 -4.804 1.00 0.00 C ATOM 851 CD1 ILE A 61 61.962 -7.139 -3.702 1.00 0.00 C ATOM 0 H ILE A 61 60.387 -2.424 -3.471 1.00 0.00 H new ATOM 0 HA ILE A 61 63.148 -3.228 -3.606 1.00 0.00 H new ATOM 0 HB ILE A 61 61.148 -4.648 -2.843 1.00 0.00 H new ATOM 0 HG12 ILE A 61 62.905 -5.779 -5.048 1.00 0.00 H new ATOM 0 HG13 ILE A 61 63.383 -5.583 -3.373 1.00 0.00 H new ATOM 0 HG21 ILE A 61 59.867 -5.796 -4.607 1.00 0.00 H new ATOM 0 HG22 ILE A 61 59.601 -4.036 -4.637 1.00 0.00 H new ATOM 0 HG23 ILE A 61 60.673 -4.795 -5.838 1.00 0.00 H new ATOM 0 HD11 ILE A 61 62.735 -7.896 -3.834 1.00 0.00 H new ATOM 0 HD12 ILE A 61 61.613 -7.153 -2.669 1.00 0.00 H new ATOM 0 HD13 ILE A 61 61.127 -7.352 -4.370 1.00 0.00 H new ATOM 863 N ASN A 62 61.990 -2.014 -6.216 1.00 0.00 N ATOM 864 CA ASN A 62 62.150 -1.796 -7.651 1.00 0.00 C ATOM 865 C ASN A 62 63.385 -0.934 -7.932 1.00 0.00 C ATOM 866 O ASN A 62 63.475 -0.270 -8.961 1.00 0.00 O ATOM 867 CB ASN A 62 60.898 -1.123 -8.215 1.00 0.00 C ATOM 868 CG ASN A 62 60.590 -1.546 -9.643 1.00 0.00 C ATOM 869 OD1 ASN A 62 61.480 -1.896 -10.414 1.00 0.00 O ATOM 870 ND2 ASN A 62 59.313 -1.522 -10.000 1.00 0.00 N ATOM 0 H ASN A 62 61.496 -1.269 -5.724 1.00 0.00 H new ATOM 0 HA ASN A 62 62.288 -2.761 -8.138 1.00 0.00 H new ATOM 0 HB2 ASN A 62 60.046 -1.362 -7.579 1.00 0.00 H new ATOM 0 HB3 ASN A 62 61.027 -0.041 -8.182 1.00 0.00 H new ATOM 0 HD21 ASN A 62 59.042 -1.800 -10.943 1.00 0.00 H new ATOM 0 HD22 ASN A 62 58.602 -1.225 -9.331 1.00 0.00 H new ATOM 877 N TRP A 63 64.341 -0.950 -7.007 1.00 0.00 N ATOM 878 CA TRP A 63 65.564 -0.157 -7.156 1.00 0.00 C ATOM 879 C TRP A 63 66.753 -1.076 -7.444 1.00 0.00 C ATOM 880 O TRP A 63 67.927 -0.665 -7.425 1.00 0.00 O ATOM 881 CB TRP A 63 65.807 0.698 -5.906 1.00 0.00 C ATOM 882 CG TRP A 63 64.769 1.769 -5.698 1.00 0.00 C ATOM 883 CD1 TRP A 63 63.584 1.913 -6.364 1.00 0.00 C ATOM 884 CD2 TRP A 63 64.831 2.851 -4.765 1.00 0.00 C ATOM 885 NE1 TRP A 63 62.907 3.011 -5.898 1.00 0.00 N ATOM 886 CE2 TRP A 63 63.652 3.605 -4.916 1.00 0.00 C ATOM 887 CE3 TRP A 63 65.767 3.254 -3.814 1.00 0.00 C ATOM 888 CZ2 TRP A 63 63.389 4.738 -4.154 1.00 0.00 C ATOM 889 CZ3 TRP A 63 65.505 4.379 -3.057 1.00 0.00 C ATOM 890 CH2 TRP A 63 64.325 5.108 -3.230 1.00 0.00 C ATOM 0 H TRP A 63 64.296 -1.500 -6.149 1.00 0.00 H new ATOM 0 HA TRP A 63 65.447 0.521 -8.001 1.00 0.00 H new ATOM 0 HB2 TRP A 63 65.828 0.049 -5.030 1.00 0.00 H new ATOM 0 HB3 TRP A 63 66.789 1.165 -5.980 1.00 0.00 H new ATOM 0 HD1 TRP A 63 63.231 1.256 -7.145 1.00 0.00 H new ATOM 0 HE1 TRP A 63 61.997 3.332 -6.229 1.00 0.00 H new ATOM 0 HE3 TRP A 63 66.681 2.696 -3.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 62.479 5.304 -4.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 66.224 4.701 -2.319 1.00 0.00 H new ATOM 0 HH2 TRP A 63 64.149 5.982 -2.620 1.00 0.00 H new ATOM 901 N ARG A 64 66.428 -2.339 -7.676 1.00 0.00 N ATOM 902 CA ARG A 64 67.392 -3.309 -8.177 1.00 0.00 C ATOM 903 C ARG A 64 67.947 -2.829 -9.517 1.00 0.00 C ATOM 904 O ARG A 64 67.353 -3.082 -10.565 1.00 0.00 O ATOM 905 CB ARG A 64 66.729 -4.679 -8.371 1.00 0.00 C ATOM 906 CG ARG A 64 65.987 -5.210 -7.152 1.00 0.00 C ATOM 907 CD ARG A 64 66.934 -5.661 -6.052 1.00 0.00 C ATOM 908 NE ARG A 64 67.817 -6.738 -6.492 1.00 0.00 N ATOM 909 CZ ARG A 64 68.182 -7.755 -5.713 1.00 0.00 C ATOM 910 NH1 ARG A 64 67.629 -7.901 -4.513 1.00 0.00 N ATOM 911 NH2 ARG A 64 69.101 -8.620 -6.130 1.00 0.00 N ATOM 0 H ARG A 64 65.494 -2.720 -7.524 1.00 0.00 H new ATOM 0 HA ARG A 64 68.198 -3.405 -7.450 1.00 0.00 H new ATOM 0 HB2 ARG A 64 66.029 -4.613 -9.204 1.00 0.00 H new ATOM 0 HB3 ARG A 64 67.495 -5.400 -8.655 1.00 0.00 H new ATOM 0 HG2 ARG A 64 65.327 -4.434 -6.765 1.00 0.00 H new ATOM 0 HG3 ARG A 64 65.355 -6.047 -7.450 1.00 0.00 H new ATOM 0 HD2 ARG A 64 67.534 -4.813 -5.721 1.00 0.00 H new ATOM 0 HD3 ARG A 64 66.355 -5.997 -5.191 1.00 0.00 H new ATOM 0 HE ARG A 64 68.173 -6.710 -7.447 1.00 0.00 H new ATOM 0 HH11 ARG A 64 66.927 -7.235 -4.191 1.00 0.00 H new ATOM 0 HH12 ARG A 64 67.907 -8.679 -3.915 1.00 0.00 H new ATOM 0 HH21 ARG A 64 69.529 -8.506 -7.049 1.00 0.00 H new ATOM 0 HH22 ARG A 64 69.378 -9.398 -5.531 1.00 0.00 H new ATOM 925 N CYS A 65 69.063 -2.116 -9.480 1.00 0.00 N ATOM 926 CA CYS A 65 69.611 -1.505 -10.685 1.00 0.00 C ATOM 927 C CYS A 65 70.325 -2.540 -11.531 1.00 0.00 C ATOM 928 O CYS A 65 70.176 -2.580 -12.753 1.00 0.00 O ATOM 929 CB CYS A 65 70.573 -0.361 -10.331 1.00 0.00 C ATOM 930 SG CYS A 65 71.137 0.614 -11.773 1.00 0.00 S ATOM 0 H CYS A 65 69.606 -1.946 -8.633 1.00 0.00 H new ATOM 0 HA CYS A 65 68.781 -1.094 -11.259 1.00 0.00 H new ATOM 0 HB2 CYS A 65 70.081 0.307 -9.624 1.00 0.00 H new ATOM 0 HB3 CYS A 65 71.444 -0.777 -9.824 1.00 0.00 H new ATOM 935 N ASP A 66 71.070 -3.390 -10.862 1.00 0.00 N ATOM 936 CA ASP A 66 71.928 -4.356 -11.526 1.00 0.00 C ATOM 937 C ASP A 66 72.218 -5.543 -10.614 1.00 0.00 C ATOM 938 O ASP A 66 71.911 -6.686 -10.958 1.00 0.00 O ATOM 939 CB ASP A 66 73.235 -3.683 -11.977 1.00 0.00 C ATOM 940 CG ASP A 66 73.982 -2.997 -10.844 1.00 0.00 C ATOM 941 OD1 ASP A 66 73.316 -2.458 -9.924 1.00 0.00 O ATOM 942 OD2 ASP A 66 75.231 -2.997 -10.879 1.00 0.00 O ATOM 0 H ASP A 66 71.101 -3.435 -9.843 1.00 0.00 H new ATOM 0 HA ASP A 66 71.408 -4.731 -12.407 1.00 0.00 H new ATOM 0 HB2 ASP A 66 73.884 -4.433 -12.429 1.00 0.00 H new ATOM 0 HB3 ASP A 66 73.009 -2.949 -12.751 1.00 0.00 H new ATOM 947 N ASN A 67 72.803 -5.275 -9.452 1.00 0.00 N ATOM 948 CA ASN A 67 73.103 -6.320 -8.489 1.00 0.00 C ATOM 949 C ASN A 67 71.923 -6.539 -7.554 1.00 0.00 C ATOM 950 O ASN A 67 71.131 -7.474 -7.726 1.00 0.00 O ATOM 951 CB ASN A 67 74.347 -5.967 -7.673 1.00 0.00 C ATOM 952 CG ASN A 67 74.731 -7.059 -6.690 1.00 0.00 C ATOM 953 OD1 ASN A 67 74.868 -8.227 -7.059 1.00 0.00 O ATOM 954 ND2 ASN A 67 74.871 -6.696 -5.424 1.00 0.00 N ATOM 0 H ASN A 67 73.079 -4.338 -9.156 1.00 0.00 H new ATOM 0 HA ASN A 67 73.295 -7.239 -9.042 1.00 0.00 H new ATOM 0 HB2 ASN A 67 75.181 -5.784 -8.350 1.00 0.00 H new ATOM 0 HB3 ASN A 67 74.169 -5.040 -7.129 1.00 0.00 H new ATOM 0 HD21 ASN A 67 75.100 -7.393 -4.716 1.00 0.00 H new ATOM 0 HD22 ASN A 67 74.750 -5.719 -5.157 1.00 0.00 H new ATOM 961 N ASP A 68 71.797 -5.659 -6.577 1.00 0.00 N ATOM 962 CA ASP A 68 70.715 -5.728 -5.617 1.00 0.00 C ATOM 963 C ASP A 68 69.949 -4.403 -5.644 1.00 0.00 C ATOM 964 O ASP A 68 69.812 -3.793 -6.707 1.00 0.00 O ATOM 965 CB ASP A 68 71.255 -6.052 -4.214 1.00 0.00 C ATOM 966 CG ASP A 68 70.207 -6.665 -3.300 1.00 0.00 C ATOM 967 OD1 ASP A 68 69.445 -5.905 -2.666 1.00 0.00 O ATOM 968 OD2 ASP A 68 70.137 -7.915 -3.213 1.00 0.00 O ATOM 0 H ASP A 68 72.439 -4.881 -6.429 1.00 0.00 H new ATOM 0 HA ASP A 68 70.030 -6.533 -5.883 1.00 0.00 H new ATOM 0 HB2 ASP A 68 72.096 -6.739 -4.305 1.00 0.00 H new ATOM 0 HB3 ASP A 68 71.637 -5.139 -3.758 1.00 0.00 H new ATOM 973 N ASN A 69 69.476 -3.932 -4.502 1.00 0.00 N ATOM 974 CA ASN A 69 68.530 -2.826 -4.491 1.00 0.00 C ATOM 975 C ASN A 69 69.175 -1.516 -4.046 1.00 0.00 C ATOM 976 O ASN A 69 69.763 -1.428 -2.971 1.00 0.00 O ATOM 977 CB ASN A 69 67.356 -3.173 -3.586 1.00 0.00 C ATOM 978 CG ASN A 69 66.074 -2.514 -4.036 1.00 0.00 C ATOM 979 OD1 ASN A 69 65.355 -3.047 -4.868 1.00 0.00 O ATOM 980 ND2 ASN A 69 65.777 -1.355 -3.497 1.00 0.00 N ATOM 0 H ASN A 69 69.727 -4.292 -3.581 1.00 0.00 H new ATOM 0 HA ASN A 69 68.180 -2.675 -5.512 1.00 0.00 H new ATOM 0 HB2 ASN A 69 67.220 -4.254 -3.569 1.00 0.00 H new ATOM 0 HB3 ASN A 69 67.582 -2.864 -2.566 1.00 0.00 H new ATOM 0 HD21 ASN A 69 64.922 -0.870 -3.770 1.00 0.00 H new ATOM 0 HD22 ASN A 69 66.401 -0.939 -2.805 1.00 0.00 H new ATOM 987 N ASP A 70 69.013 -0.505 -4.896 1.00 0.00 N ATOM 988 CA ASP A 70 69.660 0.808 -4.769 1.00 0.00 C ATOM 989 C ASP A 70 69.198 1.597 -3.540 1.00 0.00 C ATOM 990 O ASP A 70 68.726 1.027 -2.574 1.00 0.00 O ATOM 991 CB ASP A 70 69.313 1.618 -6.007 1.00 0.00 C ATOM 992 CG ASP A 70 70.436 2.521 -6.440 1.00 0.00 C ATOM 993 OD1 ASP A 70 70.626 3.587 -5.814 1.00 0.00 O ATOM 994 OD2 ASP A 70 71.131 2.158 -7.398 1.00 0.00 O ATOM 0 H ASP A 70 68.412 -0.574 -5.717 1.00 0.00 H new ATOM 0 HA ASP A 70 70.731 0.637 -4.660 1.00 0.00 H new ATOM 0 HB2 ASP A 70 69.062 0.939 -6.822 1.00 0.00 H new ATOM 0 HB3 ASP A 70 68.425 2.218 -5.807 1.00 0.00 H new ATOM 999 N CYS A 71 69.372 2.923 -3.597 1.00 0.00 N ATOM 1000 CA CYS A 71 68.865 3.846 -2.575 1.00 0.00 C ATOM 1001 C CYS A 71 69.376 5.257 -2.825 1.00 0.00 C ATOM 1002 O CYS A 71 68.673 6.238 -2.579 1.00 0.00 O ATOM 1003 CB CYS A 71 69.275 3.421 -1.163 1.00 0.00 C ATOM 1004 SG CYS A 71 68.505 4.414 0.163 1.00 0.00 S ATOM 0 H CYS A 71 69.870 3.387 -4.356 1.00 0.00 H new ATOM 0 HA CYS A 71 67.778 3.822 -2.646 1.00 0.00 H new ATOM 0 HB2 CYS A 71 69.011 2.373 -1.019 1.00 0.00 H new ATOM 0 HB3 CYS A 71 70.359 3.492 -1.073 1.00 0.00 H new ATOM 1009 N GLY A 72 70.603 5.351 -3.316 1.00 0.00 N ATOM 1010 CA GLY A 72 71.260 6.636 -3.433 1.00 0.00 C ATOM 1011 C GLY A 72 72.000 6.990 -2.162 1.00 0.00 C ATOM 1012 O GLY A 72 72.510 8.098 -2.011 1.00 0.00 O ATOM 0 H GLY A 72 71.157 4.557 -3.637 1.00 0.00 H new ATOM 0 HA2 GLY A 72 71.958 6.615 -4.270 1.00 0.00 H new ATOM 0 HA3 GLY A 72 70.521 7.406 -3.653 1.00 0.00 H new ATOM 1016 N ASP A 73 72.046 6.027 -1.250 1.00 0.00 N ATOM 1017 CA ASP A 73 72.719 6.183 0.029 1.00 0.00 C ATOM 1018 C ASP A 73 73.823 5.138 0.162 1.00 0.00 C ATOM 1019 O ASP A 73 75.000 5.437 -0.039 1.00 0.00 O ATOM 1020 CB ASP A 73 71.698 6.046 1.167 1.00 0.00 C ATOM 1021 CG ASP A 73 72.328 5.940 2.540 1.00 0.00 C ATOM 1022 OD1 ASP A 73 72.611 6.992 3.148 1.00 0.00 O ATOM 1023 OD2 ASP A 73 72.495 4.802 3.026 1.00 0.00 O ATOM 0 H ASP A 73 71.615 5.112 -1.380 1.00 0.00 H new ATOM 0 HA ASP A 73 73.173 7.172 0.087 1.00 0.00 H new ATOM 0 HB2 ASP A 73 71.029 6.907 1.149 1.00 0.00 H new ATOM 0 HB3 ASP A 73 71.085 5.162 0.989 1.00 0.00 H new ATOM 1028 N ASN A 74 73.422 3.901 0.447 1.00 0.00 N ATOM 1029 CA ASN A 74 74.358 2.792 0.617 1.00 0.00 C ATOM 1030 C ASN A 74 73.591 1.507 0.919 1.00 0.00 C ATOM 1031 O ASN A 74 73.733 0.918 1.984 1.00 0.00 O ATOM 1032 CB ASN A 74 75.359 3.081 1.751 1.00 0.00 C ATOM 1033 CG ASN A 74 76.554 2.138 1.750 1.00 0.00 C ATOM 1034 OD1 ASN A 74 77.584 2.423 1.144 1.00 0.00 O ATOM 1035 ND2 ASN A 74 76.432 1.010 2.437 1.00 0.00 N ATOM 0 H ASN A 74 72.443 3.640 0.566 1.00 0.00 H new ATOM 0 HA ASN A 74 74.917 2.673 -0.311 1.00 0.00 H new ATOM 0 HB2 ASN A 74 75.714 4.108 1.661 1.00 0.00 H new ATOM 0 HB3 ASN A 74 74.845 3.005 2.709 1.00 0.00 H new ATOM 0 HD21 ASN A 74 77.208 0.349 2.473 1.00 0.00 H new ATOM 0 HD22 ASN A 74 75.563 0.804 2.929 1.00 0.00 H new ATOM 1042 N SER A 75 72.734 1.099 -0.002 1.00 0.00 N ATOM 1043 CA SER A 75 71.956 -0.119 0.180 1.00 0.00 C ATOM 1044 C SER A 75 72.652 -1.328 -0.417 1.00 0.00 C ATOM 1045 O SER A 75 73.465 -1.972 0.241 1.00 0.00 O ATOM 1046 CB SER A 75 70.576 0.040 -0.429 1.00 0.00 C ATOM 1047 OG SER A 75 69.773 0.919 0.325 1.00 0.00 O ATOM 0 H SER A 75 72.559 1.589 -0.879 1.00 0.00 H new ATOM 0 HA SER A 75 71.859 -0.287 1.253 1.00 0.00 H new ATOM 0 HB2 SER A 75 70.669 0.415 -1.448 1.00 0.00 H new ATOM 0 HB3 SER A 75 70.091 -0.934 -0.491 1.00 0.00 H new ATOM 0 HG SER A 75 70.314 1.678 0.627 1.00 0.00 H new ATOM 1053 N ASP A 76 72.290 -1.636 -1.654 1.00 0.00 N ATOM 1054 CA ASP A 76 72.941 -2.686 -2.421 1.00 0.00 C ATOM 1055 C ASP A 76 74.434 -2.428 -2.449 1.00 0.00 C ATOM 1056 O ASP A 76 75.248 -3.219 -1.968 1.00 0.00 O ATOM 1057 CB ASP A 76 72.391 -2.692 -3.847 1.00 0.00 C ATOM 1058 CG ASP A 76 73.194 -3.554 -4.812 1.00 0.00 C ATOM 1059 OD1 ASP A 76 73.910 -4.471 -4.360 1.00 0.00 O ATOM 1060 OD2 ASP A 76 73.084 -3.333 -6.034 1.00 0.00 O ATOM 0 H ASP A 76 71.536 -1.164 -2.154 1.00 0.00 H new ATOM 0 HA ASP A 76 72.747 -3.654 -1.959 1.00 0.00 H new ATOM 0 HB2 ASP A 76 71.361 -3.048 -3.828 1.00 0.00 H new ATOM 0 HB3 ASP A 76 72.368 -1.669 -4.222 1.00 0.00 H new ATOM 1065 N GLU A 77 74.762 -1.279 -2.998 1.00 0.00 N ATOM 1066 CA GLU A 77 76.124 -0.815 -3.077 1.00 0.00 C ATOM 1067 C GLU A 77 76.215 0.598 -2.528 1.00 0.00 C ATOM 1068 O GLU A 77 77.041 0.887 -1.664 1.00 0.00 O ATOM 1069 CB GLU A 77 76.637 -0.899 -4.524 1.00 0.00 C ATOM 1070 CG GLU A 77 75.539 -0.916 -5.588 1.00 0.00 C ATOM 1071 CD GLU A 77 74.730 0.364 -5.627 1.00 0.00 C ATOM 1072 OE1 GLU A 77 75.270 1.383 -6.100 1.00 0.00 O ATOM 1073 OE2 GLU A 77 73.576 0.371 -5.119 1.00 0.00 O ATOM 0 H GLU A 77 74.082 -0.637 -3.405 1.00 0.00 H new ATOM 0 HA GLU A 77 76.763 -1.456 -2.469 1.00 0.00 H new ATOM 0 HB2 GLU A 77 77.294 -0.050 -4.712 1.00 0.00 H new ATOM 0 HB3 GLU A 77 77.241 -1.800 -4.630 1.00 0.00 H new ATOM 0 HG2 GLU A 77 75.991 -1.083 -6.566 1.00 0.00 H new ATOM 0 HG3 GLU A 77 74.870 -1.756 -5.398 1.00 0.00 H new ATOM 1080 N ALA A 78 75.327 1.446 -3.028 1.00 0.00 N ATOM 1081 CA ALA A 78 75.190 2.834 -2.597 1.00 0.00 C ATOM 1082 C ALA A 78 74.206 3.561 -3.505 1.00 0.00 C ATOM 1083 O ALA A 78 73.169 4.050 -3.056 1.00 0.00 O ATOM 1084 CB ALA A 78 76.527 3.556 -2.614 1.00 0.00 C ATOM 0 H ALA A 78 74.667 1.185 -3.760 1.00 0.00 H new ATOM 0 HA ALA A 78 74.818 2.832 -1.573 1.00 0.00 H new ATOM 0 HB1 ALA A 78 76.388 4.587 -2.288 1.00 0.00 H new ATOM 0 HB2 ALA A 78 77.221 3.053 -1.941 1.00 0.00 H new ATOM 0 HB3 ALA A 78 76.932 3.547 -3.626 1.00 0.00 H new ATOM 1090 N GLY A 79 74.523 3.577 -4.790 1.00 0.00 N ATOM 1091 CA GLY A 79 73.740 4.314 -5.756 1.00 0.00 C ATOM 1092 C GLY A 79 74.202 4.054 -7.179 1.00 0.00 C ATOM 1093 O GLY A 79 75.189 4.628 -7.636 1.00 0.00 O ATOM 0 H GLY A 79 75.323 3.083 -5.185 1.00 0.00 H new ATOM 0 HA2 GLY A 79 72.690 4.037 -5.659 1.00 0.00 H new ATOM 0 HA3 GLY A 79 73.809 5.380 -5.541 1.00 0.00 H new ATOM 1097 N CYS A 80 73.484 3.184 -7.871 1.00 0.00 N ATOM 1098 CA CYS A 80 73.785 2.827 -9.252 1.00 0.00 C ATOM 1099 C CYS A 80 73.372 3.957 -10.196 1.00 0.00 C ATOM 1100 O CYS A 80 73.718 3.968 -11.379 1.00 0.00 O ATOM 1101 CB CYS A 80 73.055 1.520 -9.601 1.00 0.00 C ATOM 1102 SG CYS A 80 73.082 1.046 -11.362 1.00 0.00 S ATOM 0 H CYS A 80 72.670 2.701 -7.490 1.00 0.00 H new ATOM 0 HA CYS A 80 74.858 2.676 -9.368 1.00 0.00 H new ATOM 0 HB2 CYS A 80 73.498 0.712 -9.019 1.00 0.00 H new ATOM 0 HB3 CYS A 80 72.016 1.610 -9.284 1.00 0.00 H new ATOM 1107 N SER A 81 72.648 4.926 -9.657 1.00 0.00 N ATOM 1108 CA SER A 81 72.188 6.058 -10.437 1.00 0.00 C ATOM 1109 C SER A 81 73.167 7.228 -10.331 1.00 0.00 C ATOM 1110 O SER A 81 73.191 7.931 -9.320 1.00 0.00 O ATOM 1111 CB SER A 81 70.805 6.484 -9.957 1.00 0.00 C ATOM 1112 OG SER A 81 69.907 5.387 -9.984 1.00 0.00 O ATOM 0 H SER A 81 72.367 4.948 -8.677 1.00 0.00 H new ATOM 0 HA SER A 81 72.131 5.759 -11.484 1.00 0.00 H new ATOM 0 HB2 SER A 81 70.872 6.881 -8.944 1.00 0.00 H new ATOM 0 HB3 SER A 81 70.426 7.287 -10.590 1.00 0.00 H new ATOM 0 HG SER A 81 69.025 5.678 -9.671 1.00 0.00 H new ATOM 1118 N HIS A 82 73.971 7.403 -11.385 1.00 0.00 N ATOM 1119 CA HIS A 82 74.944 8.499 -11.488 1.00 0.00 C ATOM 1120 C HIS A 82 76.129 8.288 -10.554 1.00 0.00 C ATOM 1121 O HIS A 82 77.017 7.482 -10.906 1.00 0.00 O ATOM 1122 CB HIS A 82 74.295 9.864 -11.217 1.00 0.00 C ATOM 1123 CG HIS A 82 73.307 10.288 -12.263 1.00 0.00 C ATOM 1124 ND1 HIS A 82 73.660 10.849 -13.471 1.00 0.00 N ATOM 1125 CD2 HIS A 82 71.950 10.229 -12.261 1.00 0.00 C ATOM 1126 CE1 HIS A 82 72.536 11.109 -14.149 1.00 0.00 C ATOM 1127 NE2 HIS A 82 71.469 10.750 -13.460 1.00 0.00 N ATOM 1128 OXT HIS A 82 76.182 8.944 -9.496 1.00 0.00 O ATOM 0 H HIS A 82 73.966 6.785 -12.196 1.00 0.00 H new ATOM 0 HA HIS A 82 75.311 8.494 -12.514 1.00 0.00 H new ATOM 0 HB2 HIS A 82 73.793 9.831 -10.250 1.00 0.00 H new ATOM 0 HB3 HIS A 82 75.078 10.619 -11.144 1.00 0.00 H new ATOM 0 HD2 HIS A 82 71.341 9.840 -11.458 1.00 0.00 H new ATOM 0 HE1 HIS A 82 72.506 11.555 -15.132 1.00 0.00 H new ATOM 0 HE2 HIS A 82 70.494 10.836 -13.746 1.00 0.00 H new TER 1136 HIS A 82