USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 648 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 NoAdj-H: A 35 HIS HE2 : A 35 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 38 HIS HD1 : A 38 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 72 HIS HD1 : A 72 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -138:sc= 0.0657 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 19:sc= 0.0872 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -128:sc= -0.0573 (180deg=-1.07) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc=-0.00321 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -141:sc= 0.387 (180deg=-0.0959) USER MOD Single : A 31 LYS NZ :NH3+ -125:sc= -1.5! (180deg=-2.23!) USER MOD Single : A 32 HIS : no HE2:sc= -10.6! C(o=-11!,f=-14!) USER MOD Single : A 43 THR OG1 : rot 56:sc= 0.89 USER MOD Single : A 46 GLN : amide:sc=-0.00464 X(o=-0.0046,f=-0.2) USER MOD Single : A 48 TYR OH : rot -35:sc= 0.1 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 124:sc= 0.966 USER MOD Single : A 62 TYR OH : rot 19:sc= 0.365 USER MOD Single : A 63 HIS :FLIP no HE2:sc= -1.52 F(o=-2.7!,f=-1.5) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -5.28! C(o=-5.3!,f=-9.7!) USER MOD Single : A 81 THR OG1 : rot -55:sc= 0.677 USER MOD Single : A 82 LYS NZ :NH3+ -148:sc= -0.0356 (180deg=-0.897) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 9:sc= 0.784 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.504 -37.257 16.321 1.00 0.00 N ATOM 2 CA GLY A 1 -0.299 -36.584 16.770 1.00 0.00 C ATOM 3 C GLY A 1 -0.503 -35.094 16.959 1.00 0.00 C ATOM 4 O GLY A 1 -1.637 -34.621 17.040 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.610 -38.156 16.832 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.329 -36.653 16.508 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.437 -37.445 15.300 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.030 -37.025 17.711 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.498 -36.749 16.045 1.00 0.00 H new ATOM 8 N SER A 2 0.597 -34.351 17.031 1.00 0.00 N ATOM 9 CA SER A 2 0.534 -32.907 17.217 1.00 0.00 C ATOM 10 C SER A 2 1.883 -32.261 16.917 1.00 0.00 C ATOM 11 O SER A 2 2.892 -32.586 17.542 1.00 0.00 O ATOM 12 CB SER A 2 0.102 -32.573 18.646 1.00 0.00 C ATOM 13 OG SER A 2 -0.375 -31.242 18.738 1.00 0.00 O ATOM 0 H SER A 2 1.543 -34.726 16.963 1.00 0.00 H new ATOM 0 HA SER A 2 -0.203 -32.508 16.520 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.678 -33.265 18.964 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.944 -32.708 19.325 1.00 0.00 H new ATOM 0 HG SER A 2 -0.646 -31.055 19.661 1.00 0.00 H new ATOM 19 N SER A 3 1.892 -31.343 15.956 1.00 0.00 N ATOM 20 CA SER A 3 3.117 -30.653 15.569 1.00 0.00 C ATOM 21 C SER A 3 2.864 -29.160 15.380 1.00 0.00 C ATOM 22 O SER A 3 1.729 -28.734 15.168 1.00 0.00 O ATOM 23 CB SER A 3 3.680 -31.253 14.279 1.00 0.00 C ATOM 24 OG SER A 3 2.700 -31.274 13.256 1.00 0.00 O ATOM 0 H SER A 3 1.065 -31.060 15.431 1.00 0.00 H new ATOM 0 HA SER A 3 3.845 -30.782 16.370 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.541 -30.672 13.950 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.033 -32.266 14.469 1.00 0.00 H new ATOM 0 HG SER A 3 3.085 -31.660 12.442 1.00 0.00 H new ATOM 30 N GLY A 4 3.930 -28.370 15.459 1.00 0.00 N ATOM 31 CA GLY A 4 3.804 -26.934 15.295 1.00 0.00 C ATOM 32 C GLY A 4 4.374 -26.448 13.978 1.00 0.00 C ATOM 33 O GLY A 4 5.040 -27.201 13.267 1.00 0.00 O ATOM 0 H GLY A 4 4.879 -28.699 15.634 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.752 -26.655 15.357 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.315 -26.432 16.116 1.00 0.00 H new ATOM 37 N SER A 5 4.112 -25.187 13.650 1.00 0.00 N ATOM 38 CA SER A 5 4.600 -24.603 12.406 1.00 0.00 C ATOM 39 C SER A 5 4.945 -23.129 12.596 1.00 0.00 C ATOM 40 O SER A 5 4.557 -22.513 13.589 1.00 0.00 O ATOM 41 CB SER A 5 3.552 -24.755 11.302 1.00 0.00 C ATOM 42 OG SER A 5 3.614 -26.043 10.713 1.00 0.00 O ATOM 0 H SER A 5 3.564 -24.550 14.228 1.00 0.00 H new ATOM 0 HA SER A 5 5.505 -25.135 12.114 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.557 -24.588 11.715 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.711 -23.994 10.538 1.00 0.00 H new ATOM 0 HG SER A 5 4.090 -26.654 11.313 1.00 0.00 H new ATOM 48 N SER A 6 5.676 -22.571 11.637 1.00 0.00 N ATOM 49 CA SER A 6 6.078 -21.170 11.700 1.00 0.00 C ATOM 50 C SER A 6 5.060 -20.281 10.992 1.00 0.00 C ATOM 51 O SER A 6 4.084 -20.768 10.422 1.00 0.00 O ATOM 52 CB SER A 6 7.459 -20.985 11.069 1.00 0.00 C ATOM 53 OG SER A 6 8.472 -21.546 11.886 1.00 0.00 O ATOM 0 H SER A 6 6.002 -23.067 10.807 1.00 0.00 H new ATOM 0 HA SER A 6 6.123 -20.877 12.749 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.479 -21.455 10.086 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.655 -19.923 10.919 1.00 0.00 H new ATOM 0 HG SER A 6 9.345 -21.416 11.460 1.00 0.00 H new ATOM 59 N GLY A 7 5.295 -18.973 11.033 1.00 0.00 N ATOM 60 CA GLY A 7 4.391 -18.036 10.393 1.00 0.00 C ATOM 61 C GLY A 7 5.083 -17.187 9.345 1.00 0.00 C ATOM 62 O GLY A 7 6.310 -17.081 9.331 1.00 0.00 O ATOM 0 H GLY A 7 6.096 -18.546 11.498 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.572 -18.585 9.928 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.950 -17.387 11.149 1.00 0.00 H new ATOM 66 N THR A 8 4.295 -16.579 8.463 1.00 0.00 N ATOM 67 CA THR A 8 4.839 -15.737 7.405 1.00 0.00 C ATOM 68 C THR A 8 4.051 -14.439 7.275 1.00 0.00 C ATOM 69 O THR A 8 2.977 -14.294 7.859 1.00 0.00 O ATOM 70 CB THR A 8 4.834 -16.466 6.048 1.00 0.00 C ATOM 71 OG1 THR A 8 3.516 -16.945 5.755 1.00 0.00 O ATOM 72 CG2 THR A 8 5.812 -17.631 6.055 1.00 0.00 C ATOM 0 H THR A 8 3.278 -16.654 8.461 1.00 0.00 H new ATOM 0 HA THR A 8 5.868 -15.508 7.682 1.00 0.00 H new ATOM 0 HB THR A 8 5.143 -15.758 5.279 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.520 -17.406 4.890 1.00 0.00 H new ATOM 0 HG21 THR A 8 5.790 -18.130 5.086 1.00 0.00 H new ATOM 0 HG22 THR A 8 6.818 -17.260 6.250 1.00 0.00 H new ATOM 0 HG23 THR A 8 5.529 -18.339 6.834 1.00 0.00 H new ATOM 80 N GLU A 9 4.590 -13.499 6.506 1.00 0.00 N ATOM 81 CA GLU A 9 3.935 -12.212 6.300 1.00 0.00 C ATOM 82 C GLU A 9 2.922 -12.293 5.162 1.00 0.00 C ATOM 83 O GLU A 9 2.764 -13.338 4.532 1.00 0.00 O ATOM 84 CB GLU A 9 4.973 -11.129 5.998 1.00 0.00 C ATOM 85 CG GLU A 9 5.500 -10.427 7.238 1.00 0.00 C ATOM 86 CD GLU A 9 6.346 -11.337 8.108 1.00 0.00 C ATOM 87 OE1 GLU A 9 5.768 -12.174 8.831 1.00 0.00 O ATOM 88 OE2 GLU A 9 7.588 -11.211 8.064 1.00 0.00 O ATOM 0 H GLU A 9 5.478 -13.604 6.015 1.00 0.00 H new ATOM 0 HA GLU A 9 3.405 -11.952 7.217 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.809 -11.579 5.463 1.00 0.00 H new ATOM 0 HB3 GLU A 9 4.530 -10.388 5.333 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.093 -9.563 6.938 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.660 -10.050 7.822 1.00 0.00 H new ATOM 95 N GLU A 10 2.238 -11.182 4.906 1.00 0.00 N ATOM 96 CA GLU A 10 1.239 -11.128 3.845 1.00 0.00 C ATOM 97 C GLU A 10 0.047 -12.022 4.174 1.00 0.00 C ATOM 98 O GLU A 10 -0.620 -12.539 3.278 1.00 0.00 O ATOM 99 CB GLU A 10 1.856 -11.553 2.511 1.00 0.00 C ATOM 100 CG GLU A 10 1.014 -11.178 1.304 1.00 0.00 C ATOM 101 CD GLU A 10 1.200 -9.732 0.889 1.00 0.00 C ATOM 102 OE1 GLU A 10 0.759 -8.838 1.641 1.00 0.00 O ATOM 103 OE2 GLU A 10 1.786 -9.494 -0.188 1.00 0.00 O ATOM 0 H GLU A 10 2.357 -10.308 5.418 1.00 0.00 H new ATOM 0 HA GLU A 10 0.888 -10.099 3.764 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.840 -11.095 2.413 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.006 -12.633 2.517 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.274 -11.828 0.469 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.038 -11.355 1.530 1.00 0.00 H new ATOM 110 N ARG A 11 -0.213 -12.200 5.465 1.00 0.00 N ATOM 111 CA ARG A 11 -1.323 -13.032 5.914 1.00 0.00 C ATOM 112 C ARG A 11 -2.197 -12.280 6.913 1.00 0.00 C ATOM 113 O ARG A 11 -2.623 -12.839 7.925 1.00 0.00 O ATOM 114 CB ARG A 11 -0.797 -14.321 6.548 1.00 0.00 C ATOM 115 CG ARG A 11 -0.019 -15.201 5.584 1.00 0.00 C ATOM 116 CD ARG A 11 -0.928 -15.810 4.528 1.00 0.00 C ATOM 117 NE ARG A 11 -1.643 -16.981 5.030 1.00 0.00 N ATOM 118 CZ ARG A 11 -1.243 -18.231 4.823 1.00 0.00 C ATOM 119 NH1 ARG A 11 -0.140 -18.471 4.128 1.00 0.00 N ATOM 120 NH2 ARG A 11 -1.947 -19.243 5.313 1.00 0.00 N ATOM 0 H ARG A 11 0.330 -11.779 6.219 1.00 0.00 H new ATOM 0 HA ARG A 11 -1.931 -13.284 5.045 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -0.156 -14.065 7.391 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.638 -14.889 6.947 1.00 0.00 H new ATOM 0 HG2 ARG A 11 0.760 -14.612 5.099 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.481 -15.996 6.138 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.647 -15.062 4.194 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.335 -16.093 3.658 1.00 0.00 H new ATOM 0 HE ARG A 11 -2.496 -16.831 5.569 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.404 -17.695 3.751 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.165 -19.432 3.971 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -2.796 -19.062 5.849 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -1.640 -20.202 5.154 1.00 0.00 H new ATOM 134 N LEU A 12 -2.462 -11.012 6.622 1.00 0.00 N ATOM 135 CA LEU A 12 -3.285 -10.182 7.495 1.00 0.00 C ATOM 136 C LEU A 12 -4.768 -10.399 7.212 1.00 0.00 C ATOM 137 O LEU A 12 -5.346 -9.754 6.337 1.00 0.00 O ATOM 138 CB LEU A 12 -2.931 -8.706 7.312 1.00 0.00 C ATOM 139 CG LEU A 12 -1.448 -8.351 7.434 1.00 0.00 C ATOM 140 CD1 LEU A 12 -0.778 -8.382 6.069 1.00 0.00 C ATOM 141 CD2 LEU A 12 -1.277 -6.986 8.084 1.00 0.00 C ATOM 0 H LEU A 12 -2.119 -10.535 5.788 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.083 -10.472 8.526 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.280 -8.388 6.330 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.485 -8.126 8.050 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.967 -9.095 8.069 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.276 -8.127 6.175 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.868 -9.381 5.642 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.261 -7.661 5.410 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.216 -6.751 8.162 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.773 -6.229 7.476 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.720 -6.999 9.080 1.00 0.00 H new ATOM 153 N LYS A 13 -5.381 -11.311 7.961 1.00 0.00 N ATOM 154 CA LYS A 13 -6.798 -11.612 7.794 1.00 0.00 C ATOM 155 C LYS A 13 -7.642 -10.824 8.790 1.00 0.00 C ATOM 156 O LYS A 13 -8.594 -10.144 8.408 1.00 0.00 O ATOM 157 CB LYS A 13 -7.046 -13.111 7.973 1.00 0.00 C ATOM 158 CG LYS A 13 -8.209 -13.637 7.149 1.00 0.00 C ATOM 159 CD LYS A 13 -7.886 -13.640 5.665 1.00 0.00 C ATOM 160 CE LYS A 13 -7.150 -14.907 5.257 1.00 0.00 C ATOM 161 NZ LYS A 13 -5.672 -14.742 5.339 1.00 0.00 N ATOM 0 H LYS A 13 -4.918 -11.854 8.690 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.090 -11.319 6.785 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.142 -13.656 7.700 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.236 -13.316 9.027 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.455 -14.649 7.470 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.091 -13.022 7.329 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.808 -13.553 5.091 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.276 -12.770 5.423 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.460 -15.730 5.901 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.429 -15.177 4.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.240 -15.028 4.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.444 -13.746 5.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.298 -15.337 6.106 1.00 0.00 H new ATOM 175 N GLU A 14 -7.286 -10.919 10.067 1.00 0.00 N ATOM 176 CA GLU A 14 -8.011 -10.213 11.117 1.00 0.00 C ATOM 177 C GLU A 14 -7.784 -8.708 11.018 1.00 0.00 C ATOM 178 O GLU A 14 -8.733 -7.923 11.042 1.00 0.00 O ATOM 179 CB GLU A 14 -7.576 -10.716 12.495 1.00 0.00 C ATOM 180 CG GLU A 14 -8.300 -10.039 13.646 1.00 0.00 C ATOM 181 CD GLU A 14 -7.600 -10.243 14.976 1.00 0.00 C ATOM 182 OE1 GLU A 14 -7.409 -11.411 15.374 1.00 0.00 O ATOM 183 OE2 GLU A 14 -7.243 -9.233 15.618 1.00 0.00 O ATOM 0 H GLU A 14 -6.500 -11.478 10.400 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.075 -10.412 10.985 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.748 -11.791 12.551 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.503 -10.558 12.608 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.380 -8.971 13.442 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.316 -10.429 13.711 1.00 0.00 H new ATOM 190 N ILE A 15 -6.521 -8.312 10.906 1.00 0.00 N ATOM 191 CA ILE A 15 -6.169 -6.901 10.803 1.00 0.00 C ATOM 192 C ILE A 15 -7.081 -6.178 9.818 1.00 0.00 C ATOM 193 O ILE A 15 -7.736 -5.197 10.170 1.00 0.00 O ATOM 194 CB ILE A 15 -4.705 -6.717 10.361 1.00 0.00 C ATOM 195 CG1 ILE A 15 -3.762 -7.429 11.333 1.00 0.00 C ATOM 196 CG2 ILE A 15 -4.362 -5.238 10.269 1.00 0.00 C ATOM 197 CD1 ILE A 15 -3.834 -6.893 12.745 1.00 0.00 C ATOM 0 H ILE A 15 -5.724 -8.948 10.884 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.297 -6.470 11.796 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.581 -7.161 9.373 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.000 -8.493 11.344 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.739 -7.335 10.969 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.324 -5.124 9.956 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.016 -4.757 9.541 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.500 -4.771 11.244 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.139 -7.444 13.379 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.567 -5.836 12.747 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.848 -7.012 13.128 1.00 0.00 H new ATOM 209 N GLU A 16 -7.119 -6.670 8.584 1.00 0.00 N ATOM 210 CA GLU A 16 -7.952 -6.070 7.548 1.00 0.00 C ATOM 211 C GLU A 16 -9.346 -5.758 8.085 1.00 0.00 C ATOM 212 O GLU A 16 -9.849 -4.646 7.926 1.00 0.00 O ATOM 213 CB GLU A 16 -8.055 -7.005 6.341 1.00 0.00 C ATOM 214 CG GLU A 16 -6.751 -7.158 5.576 1.00 0.00 C ATOM 215 CD GLU A 16 -6.873 -8.107 4.400 1.00 0.00 C ATOM 216 OE1 GLU A 16 -7.551 -9.146 4.544 1.00 0.00 O ATOM 217 OE2 GLU A 16 -6.290 -7.811 3.336 1.00 0.00 O ATOM 0 H GLU A 16 -6.583 -7.482 8.277 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.484 -5.136 7.236 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.385 -7.987 6.680 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.821 -6.627 5.664 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.428 -6.181 5.218 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.978 -7.521 6.253 1.00 0.00 H new ATOM 224 N ALA A 17 -9.964 -6.748 8.720 1.00 0.00 N ATOM 225 CA ALA A 17 -11.299 -6.579 9.281 1.00 0.00 C ATOM 226 C ALA A 17 -11.389 -5.302 10.109 1.00 0.00 C ATOM 227 O ALA A 17 -12.367 -4.559 10.019 1.00 0.00 O ATOM 228 CB ALA A 17 -11.672 -7.787 10.128 1.00 0.00 C ATOM 0 H ALA A 17 -9.562 -7.675 8.859 1.00 0.00 H new ATOM 0 HA ALA A 17 -12.005 -6.496 8.455 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -12.671 -7.647 10.541 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -11.657 -8.684 9.509 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -10.955 -7.896 10.942 1.00 0.00 H new ATOM 234 N LYS A 18 -10.364 -5.052 10.917 1.00 0.00 N ATOM 235 CA LYS A 18 -10.326 -3.864 11.761 1.00 0.00 C ATOM 236 C LYS A 18 -10.491 -2.598 10.927 1.00 0.00 C ATOM 237 O LYS A 18 -11.403 -1.804 11.160 1.00 0.00 O ATOM 238 CB LYS A 18 -9.009 -3.808 12.538 1.00 0.00 C ATOM 239 CG LYS A 18 -8.833 -4.952 13.521 1.00 0.00 C ATOM 240 CD LYS A 18 -9.418 -4.614 14.882 1.00 0.00 C ATOM 241 CE LYS A 18 -8.917 -5.567 15.956 1.00 0.00 C ATOM 242 NZ LYS A 18 -9.426 -5.197 17.306 1.00 0.00 N ATOM 0 H LYS A 18 -9.548 -5.657 11.005 1.00 0.00 H new ATOM 0 HA LYS A 18 -11.155 -3.923 12.466 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -8.179 -3.817 11.831 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.956 -2.864 13.080 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.316 -5.847 13.129 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.773 -5.182 13.627 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.153 -3.591 15.149 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -10.506 -4.659 14.833 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.231 -6.583 15.715 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -7.827 -5.564 15.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.063 -5.870 18.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.106 -4.237 17.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.466 -5.225 17.305 1.00 0.00 H new ATOM 256 N TYR A 19 -9.605 -2.417 9.954 1.00 0.00 N ATOM 257 CA TYR A 19 -9.652 -1.246 9.085 1.00 0.00 C ATOM 258 C TYR A 19 -11.042 -1.072 8.481 1.00 0.00 C ATOM 259 O TYR A 19 -11.624 0.012 8.536 1.00 0.00 O ATOM 260 CB TYR A 19 -8.612 -1.369 7.971 1.00 0.00 C ATOM 261 CG TYR A 19 -7.211 -1.631 8.477 1.00 0.00 C ATOM 262 CD1 TYR A 19 -6.729 -0.988 9.610 1.00 0.00 C ATOM 263 CD2 TYR A 19 -6.370 -2.523 7.822 1.00 0.00 C ATOM 264 CE1 TYR A 19 -5.450 -1.223 10.075 1.00 0.00 C ATOM 265 CE2 TYR A 19 -5.090 -2.766 8.281 1.00 0.00 C ATOM 266 CZ TYR A 19 -4.634 -2.113 9.408 1.00 0.00 C ATOM 267 OH TYR A 19 -3.360 -2.352 9.869 1.00 0.00 O ATOM 0 H TYR A 19 -8.846 -3.066 9.747 1.00 0.00 H new ATOM 0 HA TYR A 19 -9.425 -0.368 9.689 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -8.904 -2.177 7.300 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -8.611 -0.451 7.383 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -7.365 -0.292 10.136 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.723 -3.035 6.939 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -5.091 -0.713 10.956 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.450 -3.463 7.761 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.918 -3.005 9.287 1.00 0.00 H new ATOM 277 N ASP A 20 -11.569 -2.147 7.907 1.00 0.00 N ATOM 278 CA ASP A 20 -12.892 -2.116 7.293 1.00 0.00 C ATOM 279 C ASP A 20 -13.897 -1.417 8.204 1.00 0.00 C ATOM 280 O ASP A 20 -14.708 -0.613 7.746 1.00 0.00 O ATOM 281 CB ASP A 20 -13.368 -3.536 6.983 1.00 0.00 C ATOM 282 CG ASP A 20 -12.578 -4.178 5.859 1.00 0.00 C ATOM 283 OD1 ASP A 20 -11.350 -4.341 6.015 1.00 0.00 O ATOM 284 OD2 ASP A 20 -13.189 -4.518 4.824 1.00 0.00 O ATOM 0 H ASP A 20 -11.101 -3.052 7.854 1.00 0.00 H new ATOM 0 HA ASP A 20 -12.820 -1.554 6.362 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -13.282 -4.149 7.880 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -14.424 -3.512 6.714 1.00 0.00 H new ATOM 289 N GLU A 21 -13.836 -1.730 9.494 1.00 0.00 N ATOM 290 CA GLU A 21 -14.742 -1.133 10.468 1.00 0.00 C ATOM 291 C GLU A 21 -14.619 0.388 10.465 1.00 0.00 C ATOM 292 O GLU A 21 -15.588 1.101 10.727 1.00 0.00 O ATOM 293 CB GLU A 21 -14.452 -1.676 11.869 1.00 0.00 C ATOM 294 CG GLU A 21 -15.666 -1.687 12.781 1.00 0.00 C ATOM 295 CD GLU A 21 -15.351 -2.220 14.165 1.00 0.00 C ATOM 296 OE1 GLU A 21 -14.804 -3.338 14.261 1.00 0.00 O ATOM 297 OE2 GLU A 21 -15.652 -1.518 15.154 1.00 0.00 O ATOM 0 H GLU A 21 -13.169 -2.393 9.889 1.00 0.00 H new ATOM 0 HA GLU A 21 -15.761 -1.399 10.187 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.064 -2.691 11.783 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -13.669 -1.073 12.328 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -16.060 -0.675 12.867 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -16.449 -2.297 12.330 1.00 0.00 H new ATOM 304 N ILE A 22 -13.420 0.878 10.166 1.00 0.00 N ATOM 305 CA ILE A 22 -13.170 2.314 10.128 1.00 0.00 C ATOM 306 C ILE A 22 -13.732 2.936 8.855 1.00 0.00 C ATOM 307 O ILE A 22 -14.191 4.078 8.860 1.00 0.00 O ATOM 308 CB ILE A 22 -11.664 2.625 10.217 1.00 0.00 C ATOM 309 CG1 ILE A 22 -11.058 1.970 11.460 1.00 0.00 C ATOM 310 CG2 ILE A 22 -11.435 4.129 10.240 1.00 0.00 C ATOM 311 CD1 ILE A 22 -9.546 1.997 11.481 1.00 0.00 C ATOM 0 H ILE A 22 -12.607 0.302 9.947 1.00 0.00 H new ATOM 0 HA ILE A 22 -13.674 2.746 10.993 1.00 0.00 H new ATOM 0 HB ILE A 22 -11.171 2.215 9.336 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.435 2.477 12.348 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -11.396 0.935 11.517 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -10.366 4.333 10.303 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -11.836 4.572 9.328 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -11.939 4.561 11.105 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -9.186 1.516 12.390 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -9.160 1.464 10.612 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -9.200 3.030 11.456 1.00 0.00 H new ATOM 323 N ALA A 23 -13.694 2.177 7.765 1.00 0.00 N ATOM 324 CA ALA A 23 -14.204 2.652 6.485 1.00 0.00 C ATOM 325 C ALA A 23 -15.515 1.961 6.124 1.00 0.00 C ATOM 326 O ALA A 23 -15.779 1.678 4.956 1.00 0.00 O ATOM 327 CB ALA A 23 -13.170 2.430 5.390 1.00 0.00 C ATOM 0 H ALA A 23 -13.315 1.230 7.743 1.00 0.00 H new ATOM 0 HA ALA A 23 -14.400 3.720 6.575 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -13.564 2.789 4.439 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.258 2.975 5.634 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.946 1.366 5.311 1.00 0.00 H new ATOM 333 N LYS A 24 -16.333 1.692 7.136 1.00 0.00 N ATOM 334 CA LYS A 24 -17.618 1.035 6.927 1.00 0.00 C ATOM 335 C LYS A 24 -18.557 1.922 6.116 1.00 0.00 C ATOM 336 O LYS A 24 -19.268 1.445 5.232 1.00 0.00 O ATOM 337 CB LYS A 24 -18.261 0.688 8.271 1.00 0.00 C ATOM 338 CG LYS A 24 -17.751 -0.610 8.872 1.00 0.00 C ATOM 339 CD LYS A 24 -18.521 -1.810 8.346 1.00 0.00 C ATOM 340 CE LYS A 24 -18.357 -3.019 9.253 1.00 0.00 C ATOM 341 NZ LYS A 24 -19.331 -3.004 10.380 1.00 0.00 N ATOM 0 H LYS A 24 -16.129 1.919 8.109 1.00 0.00 H new ATOM 0 HA LYS A 24 -17.441 0.116 6.368 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -18.076 1.501 8.973 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -19.341 0.619 8.140 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -16.692 -0.727 8.642 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -17.838 -0.568 9.958 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -19.578 -1.557 8.263 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -18.172 -2.056 7.343 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -18.490 -3.931 8.670 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -17.342 -3.040 9.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -19.186 -3.845 10.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -19.188 -2.147 10.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -20.300 -3.010 10.002 1.00 0.00 H new ATOM 355 N ASP A 25 -18.554 3.215 6.422 1.00 0.00 N ATOM 356 CA ASP A 25 -19.404 4.169 5.720 1.00 0.00 C ATOM 357 C ASP A 25 -18.678 4.761 4.516 1.00 0.00 C ATOM 358 O ASP A 25 -19.302 5.121 3.518 1.00 0.00 O ATOM 359 CB ASP A 25 -19.843 5.287 6.667 1.00 0.00 C ATOM 360 CG ASP A 25 -20.809 4.800 7.729 1.00 0.00 C ATOM 361 OD1 ASP A 25 -20.747 3.604 8.083 1.00 0.00 O ATOM 362 OD2 ASP A 25 -21.627 5.615 8.206 1.00 0.00 O ATOM 0 H ASP A 25 -17.972 3.626 7.152 1.00 0.00 H new ATOM 0 HA ASP A 25 -20.287 3.638 5.364 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -18.965 5.717 7.149 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -20.313 6.084 6.091 1.00 0.00 H new ATOM 367 N TRP A 26 -17.357 4.860 4.619 1.00 0.00 N ATOM 368 CA TRP A 26 -16.546 5.409 3.539 1.00 0.00 C ATOM 369 C TRP A 26 -16.894 4.752 2.208 1.00 0.00 C ATOM 370 O TRP A 26 -16.874 3.529 2.068 1.00 0.00 O ATOM 371 CB TRP A 26 -15.059 5.219 3.842 1.00 0.00 C ATOM 372 CG TRP A 26 -14.638 5.820 5.149 1.00 0.00 C ATOM 373 CD1 TRP A 26 -15.453 6.353 6.107 1.00 0.00 C ATOM 374 CD2 TRP A 26 -13.300 5.950 5.641 1.00 0.00 C ATOM 375 NE1 TRP A 26 -14.702 6.807 7.164 1.00 0.00 N ATOM 376 CE2 TRP A 26 -13.378 6.571 6.903 1.00 0.00 C ATOM 377 CE3 TRP A 26 -12.043 5.602 5.139 1.00 0.00 C ATOM 378 CZ2 TRP A 26 -12.248 6.850 7.666 1.00 0.00 C ATOM 379 CZ3 TRP A 26 -10.922 5.879 5.897 1.00 0.00 C ATOM 380 CH2 TRP A 26 -11.030 6.498 7.150 1.00 0.00 C ATOM 0 H TRP A 26 -16.826 4.567 5.439 1.00 0.00 H new ATOM 0 HA TRP A 26 -16.761 6.475 3.464 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -14.830 4.153 3.850 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -14.472 5.665 3.039 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -16.530 6.409 6.043 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -15.070 7.248 8.007 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -11.950 5.125 4.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -12.329 7.327 8.631 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -9.946 5.614 5.518 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -10.135 6.701 7.719 1.00 0.00 H new ATOM 391 N PRO A 27 -17.221 5.581 1.205 1.00 0.00 N ATOM 392 CA PRO A 27 -17.579 5.101 -0.133 1.00 0.00 C ATOM 393 C PRO A 27 -16.384 4.514 -0.877 1.00 0.00 C ATOM 394 O PRO A 27 -15.234 4.840 -0.583 1.00 0.00 O ATOM 395 CB PRO A 27 -18.081 6.363 -0.840 1.00 0.00 C ATOM 396 CG PRO A 27 -17.407 7.487 -0.132 1.00 0.00 C ATOM 397 CD PRO A 27 -17.266 7.050 1.300 1.00 0.00 C ATOM 0 HA PRO A 27 -18.313 4.296 -0.094 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -17.825 6.352 -1.899 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -19.166 6.448 -0.775 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -16.433 7.698 -0.573 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -17.995 8.402 -0.205 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -16.361 7.451 1.755 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -18.105 7.388 1.908 1.00 0.00 H new ATOM 405 N LYS A 28 -16.664 3.645 -1.844 1.00 0.00 N ATOM 406 CA LYS A 28 -15.613 3.013 -2.632 1.00 0.00 C ATOM 407 C LYS A 28 -15.058 3.979 -3.673 1.00 0.00 C ATOM 408 O LYS A 28 -13.865 3.961 -3.980 1.00 0.00 O ATOM 409 CB LYS A 28 -16.150 1.757 -3.322 1.00 0.00 C ATOM 410 CG LYS A 28 -16.100 0.515 -2.448 1.00 0.00 C ATOM 411 CD LYS A 28 -14.673 0.039 -2.237 1.00 0.00 C ATOM 412 CE LYS A 28 -14.116 -0.624 -3.488 1.00 0.00 C ATOM 413 NZ LYS A 28 -14.456 -2.073 -3.546 1.00 0.00 N ATOM 0 H LYS A 28 -17.610 3.363 -2.100 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.806 2.732 -1.956 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -17.181 1.934 -3.629 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -15.574 1.576 -4.229 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -16.559 0.729 -1.483 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -16.685 -0.280 -2.910 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -14.043 0.885 -1.961 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -14.642 -0.666 -1.406 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -14.511 -0.123 -4.371 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.033 -0.504 -3.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -14.059 -2.488 -4.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -14.057 -2.557 -2.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -15.490 -2.187 -3.550 1.00 0.00 H new ATOM 427 N LYS A 29 -15.929 4.824 -4.214 1.00 0.00 N ATOM 428 CA LYS A 29 -15.527 5.800 -5.219 1.00 0.00 C ATOM 429 C LYS A 29 -15.892 7.215 -4.781 1.00 0.00 C ATOM 430 O LYS A 29 -17.063 7.523 -4.558 1.00 0.00 O ATOM 431 CB LYS A 29 -16.189 5.484 -6.562 1.00 0.00 C ATOM 432 CG LYS A 29 -15.460 4.420 -7.365 1.00 0.00 C ATOM 433 CD LYS A 29 -14.392 5.030 -8.257 1.00 0.00 C ATOM 434 CE LYS A 29 -14.071 4.127 -9.438 1.00 0.00 C ATOM 435 NZ LYS A 29 -12.764 4.474 -10.063 1.00 0.00 N ATOM 0 H LYS A 29 -16.920 4.852 -3.972 1.00 0.00 H new ATOM 0 HA LYS A 29 -14.444 5.741 -5.332 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -17.213 5.155 -6.384 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -16.246 6.398 -7.153 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -15.001 3.701 -6.686 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -16.176 3.870 -7.976 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -14.731 6.000 -8.621 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.487 5.206 -7.675 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.051 3.089 -9.106 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.863 4.208 -10.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.840 4.390 -11.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.508 5.450 -9.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.030 3.824 -9.716 1.00 0.00 H new ATOM 449 N VAL A 30 -14.883 8.072 -4.661 1.00 0.00 N ATOM 450 CA VAL A 30 -15.099 9.455 -4.252 1.00 0.00 C ATOM 451 C VAL A 30 -14.860 10.414 -5.412 1.00 0.00 C ATOM 452 O VAL A 30 -14.047 10.147 -6.297 1.00 0.00 O ATOM 453 CB VAL A 30 -14.178 9.844 -3.080 1.00 0.00 C ATOM 454 CG1 VAL A 30 -12.719 9.797 -3.509 1.00 0.00 C ATOM 455 CG2 VAL A 30 -14.543 11.223 -2.552 1.00 0.00 C ATOM 0 H VAL A 30 -13.908 7.833 -4.841 1.00 0.00 H new ATOM 0 HA VAL A 30 -16.137 9.532 -3.929 1.00 0.00 H new ATOM 0 HB VAL A 30 -14.318 9.123 -2.275 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -12.083 10.075 -2.668 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -12.468 8.788 -3.836 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -12.559 10.495 -4.331 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -13.883 11.482 -1.724 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -14.432 11.959 -3.349 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -15.576 11.218 -2.204 1.00 0.00 H new ATOM 465 N LYS A 31 -15.574 11.535 -5.402 1.00 0.00 N ATOM 466 CA LYS A 31 -15.440 12.538 -6.452 1.00 0.00 C ATOM 467 C LYS A 31 -14.730 13.782 -5.929 1.00 0.00 C ATOM 468 O LYS A 31 -15.372 14.751 -5.524 1.00 0.00 O ATOM 469 CB LYS A 31 -16.817 12.917 -7.003 1.00 0.00 C ATOM 470 CG LYS A 31 -16.776 14.049 -8.015 1.00 0.00 C ATOM 471 CD LYS A 31 -16.526 13.531 -9.421 1.00 0.00 C ATOM 472 CE LYS A 31 -17.186 14.417 -10.467 1.00 0.00 C ATOM 473 NZ LYS A 31 -16.473 15.714 -10.624 1.00 0.00 N ATOM 0 H LYS A 31 -16.252 11.772 -4.678 1.00 0.00 H new ATOM 0 HA LYS A 31 -14.840 12.109 -7.255 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -17.267 12.040 -7.469 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -17.464 13.205 -6.174 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -17.719 14.595 -7.990 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -15.992 14.755 -7.741 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -15.453 13.484 -9.607 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -16.910 12.515 -9.509 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -17.207 13.896 -11.424 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -18.222 14.604 -10.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -17.143 16.497 -10.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -15.712 15.779 -9.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -16.065 15.773 -11.579 1.00 0.00 H new ATOM 487 N HIS A 32 -13.401 13.749 -5.942 1.00 0.00 N ATOM 488 CA HIS A 32 -12.604 14.876 -5.470 1.00 0.00 C ATOM 489 C HIS A 32 -12.746 16.072 -6.406 1.00 0.00 C ATOM 490 O HIS A 32 -13.257 15.945 -7.519 1.00 0.00 O ATOM 491 CB HIS A 32 -11.133 14.474 -5.356 1.00 0.00 C ATOM 492 CG HIS A 32 -10.332 15.378 -4.470 1.00 0.00 C ATOM 493 ND1 HIS A 32 -9.411 16.283 -4.953 1.00 0.00 N ATOM 494 CD2 HIS A 32 -10.320 15.514 -3.123 1.00 0.00 C ATOM 495 CE1 HIS A 32 -8.866 16.935 -3.942 1.00 0.00 C ATOM 496 NE2 HIS A 32 -9.401 16.488 -2.820 1.00 0.00 N ATOM 0 H HIS A 32 -12.854 12.955 -6.274 1.00 0.00 H new ATOM 0 HA HIS A 32 -12.972 15.163 -4.485 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -11.072 13.456 -4.973 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -10.689 14.467 -6.351 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -9.186 16.427 -5.937 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -10.921 14.959 -2.418 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -8.111 17.703 -4.019 1.00 0.00 H new ATOM 504 N VAL A 33 -12.291 17.233 -5.948 1.00 0.00 N ATOM 505 CA VAL A 33 -12.367 18.452 -6.744 1.00 0.00 C ATOM 506 C VAL A 33 -11.153 18.590 -7.656 1.00 0.00 C ATOM 507 O VAL A 33 -11.285 18.887 -8.844 1.00 0.00 O ATOM 508 CB VAL A 33 -12.468 19.702 -5.850 1.00 0.00 C ATOM 509 CG1 VAL A 33 -11.247 19.815 -4.950 1.00 0.00 C ATOM 510 CG2 VAL A 33 -12.632 20.953 -6.699 1.00 0.00 C ATOM 0 H VAL A 33 -11.865 17.355 -5.029 1.00 0.00 H new ATOM 0 HA VAL A 33 -13.268 18.376 -7.352 1.00 0.00 H new ATOM 0 HB VAL A 33 -13.349 19.603 -5.216 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.336 20.704 -4.326 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.180 18.931 -4.315 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.349 19.891 -5.563 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.702 21.826 -6.050 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.772 21.060 -7.360 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -13.540 20.871 -7.296 1.00 0.00 H new ATOM 520 N LEU A 34 -9.970 18.372 -7.092 1.00 0.00 N ATOM 521 CA LEU A 34 -8.730 18.471 -7.854 1.00 0.00 C ATOM 522 C LEU A 34 -8.679 17.413 -8.952 1.00 0.00 C ATOM 523 O LEU A 34 -8.052 17.613 -9.993 1.00 0.00 O ATOM 524 CB LEU A 34 -7.524 18.318 -6.926 1.00 0.00 C ATOM 525 CG LEU A 34 -7.393 19.364 -5.818 1.00 0.00 C ATOM 526 CD1 LEU A 34 -6.280 18.983 -4.854 1.00 0.00 C ATOM 527 CD2 LEU A 34 -7.138 20.741 -6.412 1.00 0.00 C ATOM 0 H LEU A 34 -9.843 18.126 -6.110 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.698 19.455 -8.322 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.569 17.332 -6.464 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.619 18.345 -7.532 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.331 19.398 -5.264 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -6.201 19.739 -4.072 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.504 18.016 -4.403 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.336 18.921 -5.395 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.048 21.473 -5.609 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -6.215 20.722 -6.991 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -7.969 21.016 -7.062 1.00 0.00 H new ATOM 539 N HIS A 35 -9.343 16.287 -8.712 1.00 0.00 N ATOM 540 CA HIS A 35 -9.376 15.197 -9.681 1.00 0.00 C ATOM 541 C HIS A 35 -10.802 14.937 -10.157 1.00 0.00 C ATOM 542 O HIS A 35 -11.128 13.834 -10.596 1.00 0.00 O ATOM 543 CB HIS A 35 -8.790 13.925 -9.070 1.00 0.00 C ATOM 544 CG HIS A 35 -8.075 13.058 -10.061 1.00 0.00 C ATOM 545 ND1 HIS A 35 -6.832 13.367 -10.572 1.00 0.00 N ATOM 546 CD2 HIS A 35 -8.435 11.886 -10.633 1.00 0.00 C ATOM 547 CE1 HIS A 35 -6.459 12.423 -11.418 1.00 0.00 C ATOM 548 NE2 HIS A 35 -7.414 11.512 -11.473 1.00 0.00 N ATOM 0 H HIS A 35 -9.865 16.105 -7.855 1.00 0.00 H new ATOM 0 HA HIS A 35 -8.772 15.489 -10.540 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -8.098 14.200 -8.274 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -9.593 13.350 -8.609 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -6.286 14.195 -10.334 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -9.354 11.345 -10.461 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.531 12.400 -11.970 1.00 0.00 H new ATOM 556 N GLU A 36 -11.648 15.959 -10.067 1.00 0.00 N ATOM 557 CA GLU A 36 -13.039 15.838 -10.487 1.00 0.00 C ATOM 558 C GLU A 36 -13.156 14.969 -11.736 1.00 0.00 C ATOM 559 O GLU A 36 -14.084 14.170 -11.863 1.00 0.00 O ATOM 560 CB GLU A 36 -13.635 17.221 -10.757 1.00 0.00 C ATOM 561 CG GLU A 36 -12.903 17.999 -11.839 1.00 0.00 C ATOM 562 CD GLU A 36 -13.425 19.414 -11.994 1.00 0.00 C ATOM 563 OE1 GLU A 36 -13.384 20.174 -11.004 1.00 0.00 O ATOM 564 OE2 GLU A 36 -13.874 19.761 -13.106 1.00 0.00 O ATOM 0 H GLU A 36 -11.394 16.879 -9.707 1.00 0.00 H new ATOM 0 HA GLU A 36 -13.596 15.361 -9.680 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -14.680 17.107 -11.047 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -13.622 17.800 -9.833 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.840 18.032 -11.601 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.001 17.473 -12.789 1.00 0.00 H new ATOM 571 N GLU A 37 -12.209 15.131 -12.654 1.00 0.00 N ATOM 572 CA GLU A 37 -12.208 14.362 -13.893 1.00 0.00 C ATOM 573 C GLU A 37 -12.756 12.957 -13.662 1.00 0.00 C ATOM 574 O GLU A 37 -13.630 12.491 -14.394 1.00 0.00 O ATOM 575 CB GLU A 37 -10.792 14.281 -14.468 1.00 0.00 C ATOM 576 CG GLU A 37 -10.331 15.566 -15.135 1.00 0.00 C ATOM 577 CD GLU A 37 -10.194 16.715 -14.155 1.00 0.00 C ATOM 578 OE1 GLU A 37 -9.814 16.463 -12.993 1.00 0.00 O ATOM 579 OE2 GLU A 37 -10.468 17.868 -14.552 1.00 0.00 O ATOM 0 H GLU A 37 -11.433 15.787 -12.564 1.00 0.00 H new ATOM 0 HA GLU A 37 -12.854 14.872 -14.608 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.098 14.028 -13.667 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.750 13.469 -15.194 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.372 15.394 -15.623 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -11.041 15.841 -15.915 1.00 0.00 H new ATOM 586 N HIS A 38 -12.236 12.286 -12.639 1.00 0.00 N ATOM 587 CA HIS A 38 -12.673 10.934 -12.311 1.00 0.00 C ATOM 588 C HIS A 38 -12.804 10.757 -10.801 1.00 0.00 C ATOM 589 O HIS A 38 -12.252 11.536 -10.026 1.00 0.00 O ATOM 590 CB HIS A 38 -11.689 9.907 -12.872 1.00 0.00 C ATOM 591 CG HIS A 38 -11.044 10.334 -14.155 1.00 0.00 C ATOM 592 ND1 HIS A 38 -9.677 10.364 -14.336 1.00 0.00 N ATOM 593 CD2 HIS A 38 -11.586 10.749 -15.323 1.00 0.00 C ATOM 594 CE1 HIS A 38 -9.407 10.781 -15.561 1.00 0.00 C ATOM 595 NE2 HIS A 38 -10.548 11.021 -16.180 1.00 0.00 N ATOM 0 H HIS A 38 -11.512 12.656 -12.023 1.00 0.00 H new ATOM 0 HA HIS A 38 -13.651 10.775 -12.765 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -10.913 9.717 -12.131 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -12.213 8.965 -13.034 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -12.639 10.848 -15.541 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -8.421 10.904 -15.984 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -10.643 11.354 -17.139 1.00 0.00 H new ATOM 603 N GLU A 39 -13.539 9.728 -10.392 1.00 0.00 N ATOM 604 CA GLU A 39 -13.744 9.451 -8.975 1.00 0.00 C ATOM 605 C GLU A 39 -12.724 8.436 -8.466 1.00 0.00 C ATOM 606 O GLU A 39 -12.710 7.282 -8.898 1.00 0.00 O ATOM 607 CB GLU A 39 -15.162 8.929 -8.734 1.00 0.00 C ATOM 608 CG GLU A 39 -16.249 9.895 -9.176 1.00 0.00 C ATOM 609 CD GLU A 39 -16.656 9.693 -10.622 1.00 0.00 C ATOM 610 OE1 GLU A 39 -16.768 8.524 -11.048 1.00 0.00 O ATOM 611 OE2 GLU A 39 -16.863 10.702 -11.328 1.00 0.00 O ATOM 0 H GLU A 39 -14.002 9.073 -11.021 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.609 10.383 -8.426 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.288 7.986 -9.265 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -15.286 8.716 -7.672 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -17.122 9.771 -8.536 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.898 10.918 -9.041 1.00 0.00 H new ATOM 618 N LEU A 40 -11.871 8.874 -7.547 1.00 0.00 N ATOM 619 CA LEU A 40 -10.846 8.005 -6.979 1.00 0.00 C ATOM 620 C LEU A 40 -11.463 6.727 -6.421 1.00 0.00 C ATOM 621 O LEU A 40 -12.678 6.640 -6.242 1.00 0.00 O ATOM 622 CB LEU A 40 -10.082 8.739 -5.875 1.00 0.00 C ATOM 623 CG LEU A 40 -9.360 10.020 -6.296 1.00 0.00 C ATOM 624 CD1 LEU A 40 -8.657 9.823 -7.630 1.00 0.00 C ATOM 625 CD2 LEU A 40 -10.339 11.183 -6.374 1.00 0.00 C ATOM 0 H LEU A 40 -11.869 9.825 -7.179 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.153 7.734 -7.775 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.783 8.986 -5.078 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.347 8.054 -5.452 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.607 10.254 -5.543 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.149 10.745 -7.913 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.927 9.019 -7.541 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.391 9.564 -8.393 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.808 12.086 -6.675 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.115 10.957 -7.106 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.797 11.340 -5.397 1.00 0.00 H new ATOM 637 N GLU A 41 -10.618 5.738 -6.147 1.00 0.00 N ATOM 638 CA GLU A 41 -11.082 4.465 -5.608 1.00 0.00 C ATOM 639 C GLU A 41 -10.305 4.092 -4.349 1.00 0.00 C ATOM 640 O GLU A 41 -9.156 3.655 -4.422 1.00 0.00 O ATOM 641 CB GLU A 41 -10.938 3.359 -6.656 1.00 0.00 C ATOM 642 CG GLU A 41 -11.968 2.251 -6.518 1.00 0.00 C ATOM 643 CD GLU A 41 -11.880 1.230 -7.636 1.00 0.00 C ATOM 644 OE1 GLU A 41 -10.757 0.970 -8.115 1.00 0.00 O ATOM 645 OE2 GLU A 41 -12.936 0.691 -8.030 1.00 0.00 O ATOM 0 H GLU A 41 -9.610 5.794 -6.289 1.00 0.00 H new ATOM 0 HA GLU A 41 -12.135 4.573 -5.346 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.021 3.799 -7.650 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -9.940 2.927 -6.581 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.830 1.749 -5.561 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -12.967 2.688 -6.508 1.00 0.00 H new ATOM 652 N LEU A 42 -10.941 4.267 -3.196 1.00 0.00 N ATOM 653 CA LEU A 42 -10.310 3.949 -1.919 1.00 0.00 C ATOM 654 C LEU A 42 -9.432 2.708 -2.039 1.00 0.00 C ATOM 655 O LEU A 42 -9.928 1.581 -2.051 1.00 0.00 O ATOM 656 CB LEU A 42 -11.375 3.732 -0.842 1.00 0.00 C ATOM 657 CG LEU A 42 -10.890 3.805 0.606 1.00 0.00 C ATOM 658 CD1 LEU A 42 -10.475 5.225 0.959 1.00 0.00 C ATOM 659 CD2 LEU A 42 -11.970 3.310 1.556 1.00 0.00 C ATOM 0 H LEU A 42 -11.892 4.627 -3.119 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.679 4.791 -1.634 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -12.159 4.477 -0.979 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -11.831 2.755 -1.002 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.019 3.158 0.711 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.133 5.258 1.993 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.667 5.543 0.299 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -11.327 5.894 0.838 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -11.607 3.369 2.582 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -12.860 3.930 1.450 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -12.218 2.276 1.318 1.00 0.00 H new ATOM 671 N THR A 43 -8.123 2.922 -2.127 1.00 0.00 N ATOM 672 CA THR A 43 -7.174 1.822 -2.245 1.00 0.00 C ATOM 673 C THR A 43 -6.321 1.694 -0.989 1.00 0.00 C ATOM 674 O THR A 43 -5.831 2.690 -0.456 1.00 0.00 O ATOM 675 CB THR A 43 -6.250 2.005 -3.464 1.00 0.00 C ATOM 676 OG1 THR A 43 -6.992 1.818 -4.674 1.00 0.00 O ATOM 677 CG2 THR A 43 -5.091 1.021 -3.417 1.00 0.00 C ATOM 0 H THR A 43 -7.696 3.848 -2.119 1.00 0.00 H new ATOM 0 HA THR A 43 -7.760 0.912 -2.376 1.00 0.00 H new ATOM 0 HB THR A 43 -5.848 3.018 -3.438 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.760 2.427 -4.684 1.00 0.00 H new ATOM 0 HG21 THR A 43 -4.452 1.169 -4.288 1.00 0.00 H new ATOM 0 HG22 THR A 43 -4.511 1.185 -2.509 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.478 0.002 -3.420 1.00 0.00 H new ATOM 685 N ARG A 44 -6.146 0.463 -0.520 1.00 0.00 N ATOM 686 CA ARG A 44 -5.351 0.206 0.675 1.00 0.00 C ATOM 687 C ARG A 44 -3.889 0.577 0.445 1.00 0.00 C ATOM 688 O ARG A 44 -3.247 0.074 -0.477 1.00 0.00 O ATOM 689 CB ARG A 44 -5.457 -1.266 1.077 1.00 0.00 C ATOM 690 CG ARG A 44 -6.575 -1.548 2.068 1.00 0.00 C ATOM 691 CD ARG A 44 -6.372 -0.785 3.368 1.00 0.00 C ATOM 692 NE ARG A 44 -4.968 -0.754 3.771 1.00 0.00 N ATOM 693 CZ ARG A 44 -4.293 -1.828 4.165 1.00 0.00 C ATOM 694 NH1 ARG A 44 -4.890 -3.011 4.209 1.00 0.00 N ATOM 695 NH2 ARG A 44 -3.018 -1.719 4.516 1.00 0.00 N ATOM 0 H ARG A 44 -6.544 -0.372 -0.949 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.743 0.825 1.482 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.616 -1.868 0.182 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.509 -1.584 1.511 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -7.532 -1.270 1.627 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -6.618 -2.617 2.275 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -6.738 0.235 3.251 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -6.965 -1.248 4.157 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.480 0.141 3.749 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.870 -3.098 3.940 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.369 -3.834 4.512 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.556 -0.810 4.483 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.500 -2.544 4.819 1.00 0.00 H new ATOM 709 N VAL A 45 -3.369 1.462 1.290 1.00 0.00 N ATOM 710 CA VAL A 45 -1.982 1.900 1.181 1.00 0.00 C ATOM 711 C VAL A 45 -1.357 2.094 2.557 1.00 0.00 C ATOM 712 O VAL A 45 -1.962 2.695 3.445 1.00 0.00 O ATOM 713 CB VAL A 45 -1.872 3.217 0.388 1.00 0.00 C ATOM 714 CG1 VAL A 45 -0.416 3.637 0.253 1.00 0.00 C ATOM 715 CG2 VAL A 45 -2.522 3.071 -0.979 1.00 0.00 C ATOM 0 H VAL A 45 -3.887 1.890 2.057 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.443 1.117 0.649 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.402 3.997 0.935 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.357 4.569 -0.310 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.014 3.783 1.244 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.140 2.860 -0.272 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.435 4.010 -1.525 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.022 2.279 -1.537 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.575 2.819 -0.856 1.00 0.00 H new ATOM 725 N GLN A 46 -0.142 1.582 2.726 1.00 0.00 N ATOM 726 CA GLN A 46 0.566 1.699 3.996 1.00 0.00 C ATOM 727 C GLN A 46 0.877 3.158 4.313 1.00 0.00 C ATOM 728 O GLN A 46 0.565 3.649 5.398 1.00 0.00 O ATOM 729 CB GLN A 46 1.861 0.886 3.959 1.00 0.00 C ATOM 730 CG GLN A 46 2.787 1.164 5.131 1.00 0.00 C ATOM 731 CD GLN A 46 3.731 0.012 5.415 1.00 0.00 C ATOM 732 OE1 GLN A 46 3.302 -1.131 5.582 1.00 0.00 O ATOM 733 NE2 GLN A 46 5.025 0.306 5.472 1.00 0.00 N ATOM 0 H GLN A 46 0.372 1.083 2.000 1.00 0.00 H new ATOM 0 HA GLN A 46 -0.080 1.305 4.781 1.00 0.00 H new ATOM 0 HB2 GLN A 46 1.614 -0.175 3.946 1.00 0.00 H new ATOM 0 HB3 GLN A 46 2.389 1.102 3.030 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.368 2.063 4.925 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.190 1.368 6.020 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.337 1.266 5.328 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.707 -0.429 5.660 1.00 0.00 H new ATOM 742 N VAL A 47 1.494 3.848 3.359 1.00 0.00 N ATOM 743 CA VAL A 47 1.847 5.251 3.536 1.00 0.00 C ATOM 744 C VAL A 47 1.908 5.976 2.196 1.00 0.00 C ATOM 745 O VAL A 47 2.313 5.402 1.186 1.00 0.00 O ATOM 746 CB VAL A 47 3.203 5.403 4.251 1.00 0.00 C ATOM 747 CG1 VAL A 47 3.751 6.810 4.065 1.00 0.00 C ATOM 748 CG2 VAL A 47 3.066 5.067 5.729 1.00 0.00 C ATOM 0 H VAL A 47 1.760 3.457 2.455 1.00 0.00 H new ATOM 0 HA VAL A 47 1.067 5.698 4.153 1.00 0.00 H new ATOM 0 HB VAL A 47 3.909 4.702 3.806 1.00 0.00 H new ATOM 0 HG11 VAL A 47 4.709 6.898 4.577 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.888 7.010 3.002 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.049 7.532 4.482 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.033 5.180 6.219 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.345 5.742 6.190 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.722 4.039 5.838 1.00 0.00 H new ATOM 758 N TYR A 48 1.503 7.241 2.196 1.00 0.00 N ATOM 759 CA TYR A 48 1.510 8.045 0.979 1.00 0.00 C ATOM 760 C TYR A 48 1.533 9.534 1.311 1.00 0.00 C ATOM 761 O TYR A 48 1.623 9.923 2.476 1.00 0.00 O ATOM 762 CB TYR A 48 0.285 7.721 0.122 1.00 0.00 C ATOM 763 CG TYR A 48 -1.030 8.019 0.808 1.00 0.00 C ATOM 764 CD1 TYR A 48 -1.490 7.221 1.848 1.00 0.00 C ATOM 765 CD2 TYR A 48 -1.811 9.099 0.416 1.00 0.00 C ATOM 766 CE1 TYR A 48 -2.691 7.490 2.476 1.00 0.00 C ATOM 767 CE2 TYR A 48 -3.012 9.376 1.039 1.00 0.00 C ATOM 768 CZ TYR A 48 -3.448 8.568 2.068 1.00 0.00 C ATOM 769 OH TYR A 48 -4.644 8.839 2.692 1.00 0.00 O ATOM 0 H TYR A 48 1.166 7.732 3.024 1.00 0.00 H new ATOM 0 HA TYR A 48 2.412 7.802 0.418 1.00 0.00 H new ATOM 0 HB2 TYR A 48 0.339 8.292 -0.805 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.312 6.666 -0.151 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -0.899 6.377 2.171 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -1.473 9.733 -0.390 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -3.035 6.859 3.282 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -3.606 10.220 0.722 1.00 0.00 H new ATOM 0 HH TYR A 48 -5.079 7.998 2.945 1.00 0.00 H new ATOM 779 N THR A 49 1.450 10.365 0.276 1.00 0.00 N ATOM 780 CA THR A 49 1.462 11.812 0.455 1.00 0.00 C ATOM 781 C THR A 49 0.256 12.459 -0.216 1.00 0.00 C ATOM 782 O THR A 49 0.185 12.542 -1.442 1.00 0.00 O ATOM 783 CB THR A 49 2.749 12.438 -0.114 1.00 0.00 C ATOM 784 OG1 THR A 49 3.888 11.670 0.291 1.00 0.00 O ATOM 785 CG2 THR A 49 2.906 13.875 0.358 1.00 0.00 C ATOM 0 H THR A 49 1.374 10.061 -0.695 1.00 0.00 H new ATOM 0 HA THR A 49 1.420 11.998 1.528 1.00 0.00 H new ATOM 0 HB THR A 49 2.678 12.435 -1.202 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.702 12.074 -0.076 1.00 0.00 H new ATOM 0 HG21 THR A 49 3.822 14.296 -0.057 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.052 14.463 0.023 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.957 13.897 1.447 1.00 0.00 H new ATOM 793 N CYS A 50 -0.692 12.916 0.596 1.00 0.00 N ATOM 794 CA CYS A 50 -1.896 13.557 0.081 1.00 0.00 C ATOM 795 C CYS A 50 -1.549 14.820 -0.701 1.00 0.00 C ATOM 796 O CYS A 50 -0.843 15.697 -0.203 1.00 0.00 O ATOM 797 CB CYS A 50 -2.847 13.900 1.229 1.00 0.00 C ATOM 798 SG CYS A 50 -4.434 14.616 0.692 1.00 0.00 S ATOM 0 H CYS A 50 -0.649 12.854 1.613 1.00 0.00 H new ATOM 0 HA CYS A 50 -2.389 12.857 -0.594 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -3.045 12.996 1.805 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -2.352 14.603 1.899 1.00 0.00 H new ATOM 803 N ASP A 51 -2.050 14.906 -1.929 1.00 0.00 N ATOM 804 CA ASP A 51 -1.794 16.062 -2.780 1.00 0.00 C ATOM 805 C ASP A 51 -2.908 17.094 -2.643 1.00 0.00 C ATOM 806 O ASP A 51 -3.251 17.785 -3.603 1.00 0.00 O ATOM 807 CB ASP A 51 -1.661 15.627 -4.241 1.00 0.00 C ATOM 808 CG ASP A 51 -1.003 16.686 -5.102 1.00 0.00 C ATOM 809 OD1 ASP A 51 -0.061 17.346 -4.616 1.00 0.00 O ATOM 810 OD2 ASP A 51 -1.429 16.854 -6.264 1.00 0.00 O ATOM 0 H ASP A 51 -2.636 14.189 -2.357 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.858 16.519 -2.459 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.078 14.708 -4.292 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.649 15.400 -4.641 1.00 0.00 H new ATOM 815 N LYS A 52 -3.470 17.195 -1.444 1.00 0.00 N ATOM 816 CA LYS A 52 -4.546 18.143 -1.179 1.00 0.00 C ATOM 817 C LYS A 52 -4.225 19.006 0.037 1.00 0.00 C ATOM 818 O LYS A 52 -4.158 20.231 -0.058 1.00 0.00 O ATOM 819 CB LYS A 52 -5.865 17.400 -0.957 1.00 0.00 C ATOM 820 CG LYS A 52 -7.035 18.318 -0.643 1.00 0.00 C ATOM 821 CD LYS A 52 -8.178 17.560 0.011 1.00 0.00 C ATOM 822 CE LYS A 52 -9.407 18.440 0.177 1.00 0.00 C ATOM 823 NZ LYS A 52 -9.305 19.315 1.378 1.00 0.00 N ATOM 0 H LYS A 52 -3.198 16.631 -0.639 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.644 18.794 -2.048 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.099 16.819 -1.849 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.740 16.691 -0.138 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.703 19.119 0.018 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.387 18.788 -1.562 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.432 16.689 -0.594 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.860 17.190 0.986 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.534 19.057 -0.712 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.294 17.813 0.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -10.162 19.899 1.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -9.209 18.726 2.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.473 19.932 1.288 1.00 0.00 H new ATOM 837 N CYS A 53 -4.024 18.358 1.180 1.00 0.00 N ATOM 838 CA CYS A 53 -3.708 19.065 2.415 1.00 0.00 C ATOM 839 C CYS A 53 -2.223 18.943 2.747 1.00 0.00 C ATOM 840 O CYS A 53 -1.757 19.475 3.754 1.00 0.00 O ATOM 841 CB CYS A 53 -4.547 18.515 3.570 1.00 0.00 C ATOM 842 SG CYS A 53 -4.195 16.777 3.984 1.00 0.00 S ATOM 0 H CYS A 53 -4.074 17.344 1.276 1.00 0.00 H new ATOM 0 HA CYS A 53 -3.945 20.119 2.272 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -4.376 19.130 4.454 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -5.603 18.610 3.315 1.00 0.00 H new ATOM 847 N GLU A 54 -1.488 18.238 1.893 1.00 0.00 N ATOM 848 CA GLU A 54 -0.056 18.046 2.096 1.00 0.00 C ATOM 849 C GLU A 54 0.208 17.216 3.349 1.00 0.00 C ATOM 850 O GLU A 54 1.015 17.595 4.198 1.00 0.00 O ATOM 851 CB GLU A 54 0.651 19.398 2.208 1.00 0.00 C ATOM 852 CG GLU A 54 0.544 20.247 0.952 1.00 0.00 C ATOM 853 CD GLU A 54 1.462 21.453 0.983 1.00 0.00 C ATOM 854 OE1 GLU A 54 2.618 21.308 1.433 1.00 0.00 O ATOM 855 OE2 GLU A 54 1.025 22.542 0.556 1.00 0.00 O ATOM 0 H GLU A 54 -1.859 17.791 1.055 1.00 0.00 H new ATOM 0 HA GLU A 54 0.339 17.508 1.234 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.229 19.951 3.047 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.704 19.230 2.434 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.784 19.635 0.083 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.486 20.582 0.831 1.00 0.00 H new ATOM 862 N GLU A 55 -0.478 16.083 3.457 1.00 0.00 N ATOM 863 CA GLU A 55 -0.318 15.200 4.607 1.00 0.00 C ATOM 864 C GLU A 55 0.004 13.777 4.160 1.00 0.00 C ATOM 865 O GLU A 55 0.218 13.522 2.975 1.00 0.00 O ATOM 866 CB GLU A 55 -1.587 15.203 5.461 1.00 0.00 C ATOM 867 CG GLU A 55 -1.715 16.424 6.357 1.00 0.00 C ATOM 868 CD GLU A 55 -0.764 16.383 7.538 1.00 0.00 C ATOM 869 OE1 GLU A 55 0.461 16.294 7.311 1.00 0.00 O ATOM 870 OE2 GLU A 55 -1.245 16.439 8.689 1.00 0.00 O ATOM 0 H GLU A 55 -1.150 15.755 2.763 1.00 0.00 H new ATOM 0 HA GLU A 55 0.514 15.572 5.205 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.456 15.151 4.805 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.601 14.306 6.080 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.522 17.322 5.771 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.739 16.496 6.722 1.00 0.00 H new ATOM 877 N GLU A 56 0.036 12.855 5.117 1.00 0.00 N ATOM 878 CA GLU A 56 0.333 11.458 4.822 1.00 0.00 C ATOM 879 C GLU A 56 -0.688 10.534 5.478 1.00 0.00 C ATOM 880 O GLU A 56 -0.843 10.530 6.699 1.00 0.00 O ATOM 881 CB GLU A 56 1.742 11.101 5.301 1.00 0.00 C ATOM 882 CG GLU A 56 1.975 9.607 5.447 1.00 0.00 C ATOM 883 CD GLU A 56 3.175 9.285 6.316 1.00 0.00 C ATOM 884 OE1 GLU A 56 4.223 9.942 6.145 1.00 0.00 O ATOM 885 OE2 GLU A 56 3.066 8.378 7.167 1.00 0.00 O ATOM 0 H GLU A 56 -0.140 13.050 6.103 1.00 0.00 H new ATOM 0 HA GLU A 56 0.279 11.322 3.742 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.469 11.507 4.598 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.923 11.584 6.261 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.086 9.145 5.876 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.118 9.167 4.460 1.00 0.00 H new ATOM 892 N GLY A 57 -1.384 9.753 4.658 1.00 0.00 N ATOM 893 CA GLY A 57 -2.383 8.836 5.176 1.00 0.00 C ATOM 894 C GLY A 57 -1.810 7.466 5.480 1.00 0.00 C ATOM 895 O GLY A 57 -0.626 7.215 5.252 1.00 0.00 O ATOM 0 H GLY A 57 -1.274 9.739 3.644 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.819 9.254 6.083 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.191 8.736 4.451 1.00 0.00 H new ATOM 899 N THR A 58 -2.651 6.576 5.999 1.00 0.00 N ATOM 900 CA THR A 58 -2.221 5.226 6.338 1.00 0.00 C ATOM 901 C THR A 58 -3.386 4.245 6.272 1.00 0.00 C ATOM 902 O THR A 58 -4.512 4.579 6.642 1.00 0.00 O ATOM 903 CB THR A 58 -1.597 5.171 7.745 1.00 0.00 C ATOM 904 OG1 THR A 58 -2.474 5.789 8.694 1.00 0.00 O ATOM 905 CG2 THR A 58 -0.246 5.870 7.766 1.00 0.00 C ATOM 0 H THR A 58 -3.634 6.767 6.193 1.00 0.00 H new ATOM 0 HA THR A 58 -1.468 4.941 5.604 1.00 0.00 H new ATOM 0 HB THR A 58 -1.451 4.125 8.013 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.071 5.749 9.586 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.175 5.818 8.770 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.428 5.380 7.064 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.372 6.914 7.479 1.00 0.00 H new ATOM 913 N ILE A 59 -3.108 3.035 5.800 1.00 0.00 N ATOM 914 CA ILE A 59 -4.134 2.005 5.688 1.00 0.00 C ATOM 915 C ILE A 59 -5.384 2.547 5.002 1.00 0.00 C ATOM 916 O ILE A 59 -6.485 2.034 5.202 1.00 0.00 O ATOM 917 CB ILE A 59 -4.523 1.445 7.069 1.00 0.00 C ATOM 918 CG1 ILE A 59 -3.269 1.098 7.874 1.00 0.00 C ATOM 919 CG2 ILE A 59 -5.414 0.222 6.913 1.00 0.00 C ATOM 920 CD1 ILE A 59 -2.385 0.070 7.202 1.00 0.00 C ATOM 0 H ILE A 59 -2.181 2.743 5.489 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.710 1.202 5.085 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.080 2.209 7.611 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.692 2.007 8.042 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -3.568 0.724 8.853 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.680 -0.162 7.898 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.320 0.498 6.374 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -4.881 -0.548 6.355 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.515 -0.127 7.829 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.946 -0.854 7.058 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -2.056 0.449 6.234 1.00 0.00 H new ATOM 932 N TRP A 60 -5.205 3.583 4.192 1.00 0.00 N ATOM 933 CA TRP A 60 -6.318 4.194 3.474 1.00 0.00 C ATOM 934 C TRP A 60 -5.832 5.327 2.577 1.00 0.00 C ATOM 935 O TRP A 60 -5.104 6.215 3.023 1.00 0.00 O ATOM 936 CB TRP A 60 -7.362 4.719 4.461 1.00 0.00 C ATOM 937 CG TRP A 60 -8.314 3.664 4.936 1.00 0.00 C ATOM 938 CD1 TRP A 60 -8.685 3.416 6.227 1.00 0.00 C ATOM 939 CD2 TRP A 60 -9.013 2.713 4.126 1.00 0.00 C ATOM 940 NE1 TRP A 60 -9.574 2.369 6.268 1.00 0.00 N ATOM 941 CE2 TRP A 60 -9.792 1.921 4.992 1.00 0.00 C ATOM 942 CE3 TRP A 60 -9.060 2.455 2.753 1.00 0.00 C ATOM 943 CZ2 TRP A 60 -10.605 0.889 4.528 1.00 0.00 C ATOM 944 CZ3 TRP A 60 -9.866 1.431 2.295 1.00 0.00 C ATOM 945 CH2 TRP A 60 -10.631 0.659 3.180 1.00 0.00 C ATOM 0 H TRP A 60 -4.300 4.018 4.015 1.00 0.00 H new ATOM 0 HA TRP A 60 -6.775 3.430 2.845 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -6.852 5.152 5.322 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -7.927 5.522 3.988 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -8.332 3.963 7.089 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -10.002 1.987 7.112 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -8.476 3.046 2.063 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -11.194 0.292 5.209 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -9.907 1.222 1.236 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -11.253 -0.133 2.790 1.00 0.00 H new ATOM 956 N SER A 61 -6.239 5.292 1.312 1.00 0.00 N ATOM 957 CA SER A 61 -5.841 6.315 0.353 1.00 0.00 C ATOM 958 C SER A 61 -6.617 6.167 -0.952 1.00 0.00 C ATOM 959 O SER A 61 -6.586 5.114 -1.590 1.00 0.00 O ATOM 960 CB SER A 61 -4.338 6.230 0.078 1.00 0.00 C ATOM 961 OG SER A 61 -3.869 7.407 -0.557 1.00 0.00 O ATOM 0 H SER A 61 -6.844 4.566 0.928 1.00 0.00 H new ATOM 0 HA SER A 61 -6.070 7.290 0.783 1.00 0.00 H new ATOM 0 HB2 SER A 61 -3.802 6.080 1.015 1.00 0.00 H new ATOM 0 HB3 SER A 61 -4.128 5.365 -0.551 1.00 0.00 H new ATOM 0 HG SER A 61 -3.146 7.800 -0.025 1.00 0.00 H new ATOM 967 N TYR A 62 -7.313 7.229 -1.343 1.00 0.00 N ATOM 968 CA TYR A 62 -8.100 7.218 -2.570 1.00 0.00 C ATOM 969 C TYR A 62 -7.196 7.260 -3.798 1.00 0.00 C ATOM 970 O TYR A 62 -6.720 8.323 -4.198 1.00 0.00 O ATOM 971 CB TYR A 62 -9.065 8.405 -2.593 1.00 0.00 C ATOM 972 CG TYR A 62 -10.353 8.153 -1.842 1.00 0.00 C ATOM 973 CD1 TYR A 62 -11.298 7.256 -2.325 1.00 0.00 C ATOM 974 CD2 TYR A 62 -10.625 8.811 -0.649 1.00 0.00 C ATOM 975 CE1 TYR A 62 -12.476 7.023 -1.643 1.00 0.00 C ATOM 976 CE2 TYR A 62 -11.800 8.584 0.040 1.00 0.00 C ATOM 977 CZ TYR A 62 -12.722 7.689 -0.461 1.00 0.00 C ATOM 978 OH TYR A 62 -13.895 7.459 0.223 1.00 0.00 O ATOM 0 H TYR A 62 -7.348 8.109 -0.828 1.00 0.00 H new ATOM 0 HA TYR A 62 -8.673 6.291 -2.595 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -8.568 9.275 -2.163 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -9.300 8.651 -3.628 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -11.108 6.732 -3.250 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -9.905 9.512 -0.254 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -13.200 6.323 -2.033 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -11.996 9.104 0.966 1.00 0.00 H new ATOM 0 HH TYR A 62 -14.285 6.610 -0.072 1.00 0.00 H new ATOM 988 N HIS A 63 -6.962 6.094 -4.393 1.00 0.00 N ATOM 989 CA HIS A 63 -6.115 5.996 -5.576 1.00 0.00 C ATOM 990 C HIS A 63 -6.959 5.813 -6.834 1.00 0.00 C ATOM 991 O HIS A 63 -8.046 5.236 -6.787 1.00 0.00 O ATOM 992 CB HIS A 63 -5.135 4.832 -5.433 1.00 0.00 C ATOM 993 CG HIS A 63 -4.305 4.592 -6.657 1.00 0.00 C ATOM 994 ND1 HIS A 63 -4.427 3.673 -7.642 1.00 0.00 N flip ATOM 995 CD2 HIS A 63 -3.198 5.349 -6.975 1.00 0.00 C flip ATOM 996 CE1 HIS A 63 -3.401 3.889 -8.530 1.00 0.00 C flip ATOM 997 NE2 HIS A 63 -2.674 4.906 -8.105 1.00 0.00 N flip ATOM 0 H HIS A 63 -7.347 5.205 -4.075 1.00 0.00 H new ATOM 0 HA HIS A 63 -5.553 6.925 -5.668 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -4.474 5.026 -4.588 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.693 3.925 -5.199 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -5.147 2.954 -7.712 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -2.818 6.175 -6.392 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.219 3.320 -9.429 1.00 0.00 H new ATOM 1005 N CYS A 64 -6.452 6.309 -7.958 1.00 0.00 N ATOM 1006 CA CYS A 64 -7.159 6.202 -9.229 1.00 0.00 C ATOM 1007 C CYS A 64 -6.355 5.378 -10.230 1.00 0.00 C ATOM 1008 O CYS A 64 -5.217 5.715 -10.556 1.00 0.00 O ATOM 1009 CB CYS A 64 -7.435 7.594 -9.802 1.00 0.00 C ATOM 1010 SG CYS A 64 -8.044 7.584 -11.518 1.00 0.00 S ATOM 0 H CYS A 64 -5.554 6.789 -8.014 1.00 0.00 H new ATOM 0 HA CYS A 64 -8.108 5.697 -9.048 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -8.168 8.096 -9.171 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -6.518 8.182 -9.756 1.00 0.00 H new ATOM 1015 N ASP A 65 -6.956 4.297 -10.715 1.00 0.00 N ATOM 1016 CA ASP A 65 -6.298 3.425 -11.681 1.00 0.00 C ATOM 1017 C ASP A 65 -6.369 4.017 -13.085 1.00 0.00 C ATOM 1018 O ASP A 65 -6.456 3.288 -14.072 1.00 0.00 O ATOM 1019 CB ASP A 65 -6.940 2.036 -11.667 1.00 0.00 C ATOM 1020 CG ASP A 65 -6.069 0.989 -12.333 1.00 0.00 C ATOM 1021 OD1 ASP A 65 -4.833 1.170 -12.354 1.00 0.00 O ATOM 1022 OD2 ASP A 65 -6.623 -0.012 -12.832 1.00 0.00 O ATOM 0 H ASP A 65 -7.898 4.004 -10.455 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.250 3.335 -11.397 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.136 1.740 -10.636 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.904 2.079 -12.175 1.00 0.00 H new ATOM 1027 N GLU A 66 -6.331 5.343 -13.165 1.00 0.00 N ATOM 1028 CA GLU A 66 -6.393 6.033 -14.448 1.00 0.00 C ATOM 1029 C GLU A 66 -5.347 7.142 -14.521 1.00 0.00 C ATOM 1030 O GLU A 66 -4.744 7.374 -15.569 1.00 0.00 O ATOM 1031 CB GLU A 66 -7.789 6.618 -14.671 1.00 0.00 C ATOM 1032 CG GLU A 66 -8.103 6.904 -16.130 1.00 0.00 C ATOM 1033 CD GLU A 66 -9.591 7.025 -16.394 1.00 0.00 C ATOM 1034 OE1 GLU A 66 -10.156 8.104 -16.120 1.00 0.00 O ATOM 1035 OE2 GLU A 66 -10.191 6.040 -16.873 1.00 0.00 O ATOM 0 H GLU A 66 -6.258 5.961 -12.357 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.182 5.306 -15.233 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -8.532 5.924 -14.278 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.882 7.542 -14.100 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.608 7.828 -16.430 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.692 6.107 -16.749 1.00 0.00 H new ATOM 1042 N CYS A 67 -5.138 7.824 -13.400 1.00 0.00 N ATOM 1043 CA CYS A 67 -4.167 8.910 -13.335 1.00 0.00 C ATOM 1044 C CYS A 67 -3.191 8.698 -12.181 1.00 0.00 C ATOM 1045 O CYS A 67 -2.129 9.318 -12.131 1.00 0.00 O ATOM 1046 CB CYS A 67 -4.882 10.252 -13.172 1.00 0.00 C ATOM 1047 SG CYS A 67 -6.508 10.333 -13.989 1.00 0.00 S ATOM 0 H CYS A 67 -5.628 7.644 -12.524 1.00 0.00 H new ATOM 0 HA CYS A 67 -3.604 8.917 -14.268 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -5.011 10.456 -12.109 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.246 11.041 -13.573 1.00 0.00 H new ATOM 1052 N ASP A 68 -3.559 7.818 -11.257 1.00 0.00 N ATOM 1053 CA ASP A 68 -2.716 7.522 -10.104 1.00 0.00 C ATOM 1054 C ASP A 68 -2.769 8.658 -9.086 1.00 0.00 C ATOM 1055 O ASP A 68 -1.738 9.100 -8.579 1.00 0.00 O ATOM 1056 CB ASP A 68 -1.272 7.286 -10.548 1.00 0.00 C ATOM 1057 CG ASP A 68 -1.186 6.540 -11.865 1.00 0.00 C ATOM 1058 OD1 ASP A 68 -1.788 5.450 -11.970 1.00 0.00 O ATOM 1059 OD2 ASP A 68 -0.518 7.045 -12.791 1.00 0.00 O ATOM 0 H ASP A 68 -4.435 7.297 -11.283 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.095 6.616 -9.631 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.763 8.245 -10.643 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.746 6.721 -9.779 1.00 0.00 H new ATOM 1064 N PHE A 69 -3.977 9.127 -8.793 1.00 0.00 N ATOM 1065 CA PHE A 69 -4.165 10.213 -7.838 1.00 0.00 C ATOM 1066 C PHE A 69 -4.496 9.667 -6.452 1.00 0.00 C ATOM 1067 O PHE A 69 -5.476 8.942 -6.277 1.00 0.00 O ATOM 1068 CB PHE A 69 -5.280 11.149 -8.310 1.00 0.00 C ATOM 1069 CG PHE A 69 -5.264 12.489 -7.632 1.00 0.00 C ATOM 1070 CD1 PHE A 69 -4.089 13.217 -7.535 1.00 0.00 C ATOM 1071 CD2 PHE A 69 -6.424 13.021 -7.093 1.00 0.00 C ATOM 1072 CE1 PHE A 69 -4.072 14.450 -6.912 1.00 0.00 C ATOM 1073 CE2 PHE A 69 -6.413 14.254 -6.468 1.00 0.00 C ATOM 1074 CZ PHE A 69 -5.236 14.970 -6.379 1.00 0.00 C ATOM 0 H PHE A 69 -4.841 8.772 -9.203 1.00 0.00 H new ATOM 0 HA PHE A 69 -3.232 10.774 -7.775 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -5.190 11.294 -9.387 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -6.244 10.672 -8.132 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -3.176 12.816 -7.951 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -7.348 12.466 -7.162 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -3.149 15.007 -6.842 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -7.324 14.657 -6.050 1.00 0.00 H new ATOM 0 HZ PHE A 69 -5.225 15.935 -5.894 1.00 0.00 H new ATOM 1084 N ASP A 70 -3.672 10.019 -5.472 1.00 0.00 N ATOM 1085 CA ASP A 70 -3.877 9.566 -4.101 1.00 0.00 C ATOM 1086 C ASP A 70 -4.418 10.695 -3.230 1.00 0.00 C ATOM 1087 O ASP A 70 -4.028 11.854 -3.384 1.00 0.00 O ATOM 1088 CB ASP A 70 -2.567 9.036 -3.516 1.00 0.00 C ATOM 1089 CG ASP A 70 -1.832 8.121 -4.475 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -1.120 8.639 -5.360 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -1.970 6.887 -4.342 1.00 0.00 O ATOM 0 H ASP A 70 -2.856 10.617 -5.601 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.611 8.761 -4.116 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.923 9.876 -3.255 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.777 8.496 -2.593 1.00 0.00 H new ATOM 1096 N LEU A 71 -5.318 10.351 -2.316 1.00 0.00 N ATOM 1097 CA LEU A 71 -5.914 11.337 -1.420 1.00 0.00 C ATOM 1098 C LEU A 71 -6.238 10.715 -0.065 1.00 0.00 C ATOM 1099 O LEU A 71 -6.025 9.522 0.149 1.00 0.00 O ATOM 1100 CB LEU A 71 -7.184 11.919 -2.043 1.00 0.00 C ATOM 1101 CG LEU A 71 -6.975 12.963 -3.141 1.00 0.00 C ATOM 1102 CD1 LEU A 71 -8.308 13.381 -3.741 1.00 0.00 C ATOM 1103 CD2 LEU A 71 -6.232 14.173 -2.592 1.00 0.00 C ATOM 0 H LEU A 71 -5.651 9.397 -2.175 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.191 12.138 -1.268 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.771 11.099 -2.456 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.780 12.370 -1.250 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.369 12.517 -3.930 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.139 14.124 -4.520 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.802 12.510 -4.171 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.939 13.809 -2.962 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.092 14.906 -3.387 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.812 14.620 -1.784 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.260 13.861 -2.211 1.00 0.00 H new ATOM 1115 N HIS A 72 -6.755 11.533 0.846 1.00 0.00 N ATOM 1116 CA HIS A 72 -7.112 11.063 2.180 1.00 0.00 C ATOM 1117 C HIS A 72 -8.582 10.662 2.240 1.00 0.00 C ATOM 1118 O HIS A 72 -9.411 11.192 1.501 1.00 0.00 O ATOM 1119 CB HIS A 72 -6.824 12.146 3.220 1.00 0.00 C ATOM 1120 CG HIS A 72 -5.436 12.086 3.779 1.00 0.00 C ATOM 1121 ND1 HIS A 72 -4.496 13.073 3.569 1.00 0.00 N ATOM 1122 CD2 HIS A 72 -4.831 11.150 4.547 1.00 0.00 C ATOM 1123 CE1 HIS A 72 -3.372 12.745 4.182 1.00 0.00 C ATOM 1124 NE2 HIS A 72 -3.549 11.583 4.784 1.00 0.00 N ATOM 0 H HIS A 72 -6.936 12.524 0.685 1.00 0.00 H new ATOM 0 HA HIS A 72 -6.505 10.185 2.403 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -6.982 13.125 2.767 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -7.540 12.053 4.037 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -5.274 10.233 4.907 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -2.463 13.328 4.189 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -2.848 11.088 5.335 1.00 0.00 H new ATOM 1132 N ALA A 73 -8.899 9.722 3.125 1.00 0.00 N ATOM 1133 CA ALA A 73 -10.269 9.251 3.282 1.00 0.00 C ATOM 1134 C ALA A 73 -11.211 10.403 3.616 1.00 0.00 C ATOM 1135 O ALA A 73 -12.304 10.507 3.059 1.00 0.00 O ATOM 1136 CB ALA A 73 -10.339 8.180 4.361 1.00 0.00 C ATOM 0 H ALA A 73 -8.225 9.272 3.744 1.00 0.00 H new ATOM 0 HA ALA A 73 -10.589 8.818 2.334 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.368 7.837 4.467 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.704 7.339 4.081 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.995 8.595 5.308 1.00 0.00 H new ATOM 1142 N LYS A 74 -10.780 11.267 4.529 1.00 0.00 N ATOM 1143 CA LYS A 74 -11.584 12.413 4.938 1.00 0.00 C ATOM 1144 C LYS A 74 -11.553 13.507 3.875 1.00 0.00 C ATOM 1145 O LYS A 74 -12.587 14.073 3.521 1.00 0.00 O ATOM 1146 CB LYS A 74 -11.077 12.968 6.271 1.00 0.00 C ATOM 1147 CG LYS A 74 -9.635 13.441 6.224 1.00 0.00 C ATOM 1148 CD LYS A 74 -9.166 13.938 7.581 1.00 0.00 C ATOM 1149 CE LYS A 74 -9.845 15.244 7.962 1.00 0.00 C ATOM 1150 NZ LYS A 74 -9.265 15.830 9.202 1.00 0.00 N ATOM 0 H LYS A 74 -9.878 11.195 5.000 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.614 12.078 5.059 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.713 13.799 6.574 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.173 12.197 7.036 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.994 12.624 5.893 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.537 14.240 5.489 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.376 13.183 8.339 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.085 14.080 7.564 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.747 15.957 7.143 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.911 15.070 8.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -9.755 16.719 9.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.381 15.161 9.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.253 16.020 9.056 1.00 0.00 H new ATOM 1164 N CYS A 75 -10.360 13.798 3.368 1.00 0.00 N ATOM 1165 CA CYS A 75 -10.193 14.823 2.344 1.00 0.00 C ATOM 1166 C CYS A 75 -11.140 14.580 1.172 1.00 0.00 C ATOM 1167 O CYS A 75 -11.815 15.498 0.707 1.00 0.00 O ATOM 1168 CB CYS A 75 -8.746 14.847 1.848 1.00 0.00 C ATOM 1169 SG CYS A 75 -7.572 15.607 3.016 1.00 0.00 S ATOM 0 H CYS A 75 -9.494 13.338 3.649 1.00 0.00 H new ATOM 0 HA CYS A 75 -10.434 15.789 2.789 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -8.427 13.825 1.642 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -8.706 15.390 0.904 1.00 0.00 H new ATOM 1174 N ALA A 76 -11.184 13.338 0.701 1.00 0.00 N ATOM 1175 CA ALA A 76 -12.049 12.974 -0.414 1.00 0.00 C ATOM 1176 C ALA A 76 -13.519 13.123 -0.039 1.00 0.00 C ATOM 1177 O ALA A 76 -14.309 13.693 -0.794 1.00 0.00 O ATOM 1178 CB ALA A 76 -11.759 11.550 -0.864 1.00 0.00 C ATOM 0 H ALA A 76 -10.630 12.567 1.075 1.00 0.00 H new ATOM 0 HA ALA A 76 -11.841 13.654 -1.240 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -12.412 11.292 -1.697 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.719 11.473 -1.181 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -11.938 10.863 -0.036 1.00 0.00 H new ATOM 1184 N LEU A 77 -13.882 12.608 1.130 1.00 0.00 N ATOM 1185 CA LEU A 77 -15.259 12.683 1.605 1.00 0.00 C ATOM 1186 C LEU A 77 -15.762 14.123 1.592 1.00 0.00 C ATOM 1187 O LEU A 77 -16.806 14.421 1.013 1.00 0.00 O ATOM 1188 CB LEU A 77 -15.364 12.107 3.019 1.00 0.00 C ATOM 1189 CG LEU A 77 -15.509 10.588 3.115 1.00 0.00 C ATOM 1190 CD1 LEU A 77 -15.144 10.105 4.510 1.00 0.00 C ATOM 1191 CD2 LEU A 77 -16.926 10.164 2.756 1.00 0.00 C ATOM 0 H LEU A 77 -13.242 12.134 1.767 1.00 0.00 H new ATOM 0 HA LEU A 77 -15.882 12.094 0.932 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -14.476 12.403 3.577 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -16.220 12.566 3.514 1.00 0.00 H new ATOM 0 HG LEU A 77 -14.823 10.130 2.403 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -15.253 9.022 4.560 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -14.112 10.376 4.730 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -15.805 10.570 5.241 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -17.011 9.080 2.830 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -17.631 10.631 3.444 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -17.152 10.477 1.737 1.00 0.00 H new ATOM 1203 N ASN A 78 -15.011 15.013 2.233 1.00 0.00 N ATOM 1204 CA ASN A 78 -15.379 16.423 2.293 1.00 0.00 C ATOM 1205 C ASN A 78 -15.108 17.113 0.960 1.00 0.00 C ATOM 1206 O ASN A 78 -14.474 16.544 0.073 1.00 0.00 O ATOM 1207 CB ASN A 78 -14.607 17.126 3.411 1.00 0.00 C ATOM 1208 CG ASN A 78 -13.292 17.708 2.928 1.00 0.00 C ATOM 1209 OD1 ASN A 78 -13.272 18.675 2.167 1.00 0.00 O ATOM 1210 ND2 ASN A 78 -12.187 17.119 3.369 1.00 0.00 N ATOM 0 H ASN A 78 -14.144 14.783 2.718 1.00 0.00 H new ATOM 0 HA ASN A 78 -16.447 16.486 2.503 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -15.222 17.923 3.828 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -14.414 16.418 4.216 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -11.273 17.466 3.078 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -12.252 16.320 3.999 1.00 0.00 H new ATOM 1217 N GLU A 79 -15.593 18.344 0.828 1.00 0.00 N ATOM 1218 CA GLU A 79 -15.403 19.112 -0.396 1.00 0.00 C ATOM 1219 C GLU A 79 -14.616 20.390 -0.121 1.00 0.00 C ATOM 1220 O GLU A 79 -13.501 20.563 -0.614 1.00 0.00 O ATOM 1221 CB GLU A 79 -16.756 19.459 -1.022 1.00 0.00 C ATOM 1222 CG GLU A 79 -17.427 18.283 -1.711 1.00 0.00 C ATOM 1223 CD GLU A 79 -17.756 17.155 -0.752 1.00 0.00 C ATOM 1224 OE1 GLU A 79 -18.274 17.443 0.347 1.00 0.00 O ATOM 1225 OE2 GLU A 79 -17.494 15.984 -1.100 1.00 0.00 O ATOM 0 H GLU A 79 -16.120 18.830 1.554 1.00 0.00 H new ATOM 0 HA GLU A 79 -14.834 18.498 -1.094 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -17.419 19.841 -0.246 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -16.617 20.262 -1.746 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -18.343 18.624 -2.193 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -16.774 17.907 -2.498 1.00 0.00 H new ATOM 1232 N ASP A 80 -15.204 21.281 0.669 1.00 0.00 N ATOM 1233 CA ASP A 80 -14.558 22.543 1.011 1.00 0.00 C ATOM 1234 C ASP A 80 -14.486 22.724 2.524 1.00 0.00 C ATOM 1235 O ASP A 80 -15.393 23.288 3.137 1.00 0.00 O ATOM 1236 CB ASP A 80 -15.312 23.714 0.380 1.00 0.00 C ATOM 1237 CG ASP A 80 -15.151 23.762 -1.127 1.00 0.00 C ATOM 1238 OD1 ASP A 80 -15.428 22.737 -1.786 1.00 0.00 O ATOM 1239 OD2 ASP A 80 -14.749 24.823 -1.647 1.00 0.00 O ATOM 0 H ASP A 80 -16.127 21.153 1.085 1.00 0.00 H new ATOM 0 HA ASP A 80 -13.542 22.521 0.617 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -16.371 23.636 0.627 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -14.952 24.648 0.811 1.00 0.00 H new ATOM 1244 N THR A 81 -13.402 22.241 3.123 1.00 0.00 N ATOM 1245 CA THR A 81 -13.213 22.348 4.564 1.00 0.00 C ATOM 1246 C THR A 81 -11.838 22.917 4.897 1.00 0.00 C ATOM 1247 O THR A 81 -11.178 22.465 5.833 1.00 0.00 O ATOM 1248 CB THR A 81 -13.370 20.979 5.253 1.00 0.00 C ATOM 1249 OG1 THR A 81 -13.331 21.140 6.676 1.00 0.00 O ATOM 1250 CG2 THR A 81 -12.270 20.023 4.816 1.00 0.00 C ATOM 0 H THR A 81 -12.641 21.772 2.632 1.00 0.00 H new ATOM 0 HA THR A 81 -13.983 23.024 4.935 1.00 0.00 H new ATOM 0 HB THR A 81 -14.332 20.558 4.961 1.00 0.00 H new ATOM 0 HG1 THR A 81 -12.506 21.605 6.930 1.00 0.00 H new ATOM 0 HG21 THR A 81 -12.402 19.063 5.316 1.00 0.00 H new ATOM 0 HG22 THR A 81 -12.320 19.880 3.737 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.299 20.440 5.082 1.00 0.00 H new ATOM 1258 N LYS A 82 -11.413 23.913 4.127 1.00 0.00 N ATOM 1259 CA LYS A 82 -10.118 24.547 4.342 1.00 0.00 C ATOM 1260 C LYS A 82 -10.272 25.851 5.119 1.00 0.00 C ATOM 1261 O LYS A 82 -9.603 26.064 6.129 1.00 0.00 O ATOM 1262 CB LYS A 82 -9.431 24.818 3.001 1.00 0.00 C ATOM 1263 CG LYS A 82 -8.150 25.624 3.126 1.00 0.00 C ATOM 1264 CD LYS A 82 -7.002 24.770 3.638 1.00 0.00 C ATOM 1265 CE LYS A 82 -6.305 24.034 2.504 1.00 0.00 C ATOM 1266 NZ LYS A 82 -6.844 22.658 2.321 1.00 0.00 N ATOM 0 H LYS A 82 -11.947 24.299 3.348 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.501 23.866 4.929 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -9.206 23.867 2.519 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -10.123 25.350 2.349 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -7.887 26.044 2.155 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -8.311 26.463 3.803 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -6.283 25.401 4.160 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -7.379 24.049 4.363 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -6.425 24.597 1.578 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -5.236 23.981 2.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -6.086 22.030 1.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -7.211 22.305 3.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -7.612 22.676 1.620 1.00 0.00 H new ATOM 1280 N GLU A 83 -11.159 26.718 4.641 1.00 0.00 N ATOM 1281 CA GLU A 83 -11.401 28.000 5.293 1.00 0.00 C ATOM 1282 C GLU A 83 -12.897 28.268 5.428 1.00 0.00 C ATOM 1283 O GLU A 83 -13.416 28.407 6.535 1.00 0.00 O ATOM 1284 CB GLU A 83 -10.738 29.131 4.504 1.00 0.00 C ATOM 1285 CG GLU A 83 -10.928 30.502 5.130 1.00 0.00 C ATOM 1286 CD GLU A 83 -10.728 31.630 4.136 1.00 0.00 C ATOM 1287 OE1 GLU A 83 -9.569 31.874 3.740 1.00 0.00 O ATOM 1288 OE2 GLU A 83 -11.731 32.268 3.754 1.00 0.00 O ATOM 0 H GLU A 83 -11.721 26.556 3.806 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.966 27.959 6.291 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.671 28.925 4.417 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.144 29.143 3.492 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -11.931 30.569 5.553 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.226 30.621 5.955 1.00 0.00 H new ATOM 1295 N SER A 84 -13.584 28.341 4.292 1.00 0.00 N ATOM 1296 CA SER A 84 -15.019 28.597 4.282 1.00 0.00 C ATOM 1297 C SER A 84 -15.802 27.298 4.112 1.00 0.00 C ATOM 1298 O SER A 84 -15.220 26.226 3.950 1.00 0.00 O ATOM 1299 CB SER A 84 -15.377 29.572 3.159 1.00 0.00 C ATOM 1300 OG SER A 84 -14.984 30.893 3.486 1.00 0.00 O ATOM 0 H SER A 84 -13.170 28.226 3.367 1.00 0.00 H new ATOM 0 HA SER A 84 -15.290 29.042 5.240 1.00 0.00 H new ATOM 0 HB2 SER A 84 -14.889 29.262 2.235 1.00 0.00 H new ATOM 0 HB3 SER A 84 -16.451 29.543 2.977 1.00 0.00 H new ATOM 0 HG SER A 84 -15.222 31.496 2.752 1.00 0.00 H new ATOM 1306 N GLY A 85 -17.127 27.403 4.151 1.00 0.00 N ATOM 1307 CA GLY A 85 -17.969 26.231 4.000 1.00 0.00 C ATOM 1308 C GLY A 85 -19.232 26.521 3.215 1.00 0.00 C ATOM 1309 O GLY A 85 -19.339 27.534 2.522 1.00 0.00 O ATOM 0 H GLY A 85 -17.632 28.279 4.285 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -17.405 25.445 3.498 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -18.237 25.851 4.986 1.00 0.00 H new ATOM 1313 N PRO A 86 -20.218 25.618 3.317 1.00 0.00 N ATOM 1314 CA PRO A 86 -21.498 25.760 2.616 1.00 0.00 C ATOM 1315 C PRO A 86 -22.346 26.894 3.182 1.00 0.00 C ATOM 1316 O PRO A 86 -22.830 26.816 4.311 1.00 0.00 O ATOM 1317 CB PRO A 86 -22.183 24.411 2.851 1.00 0.00 C ATOM 1318 CG PRO A 86 -21.580 23.895 4.112 1.00 0.00 C ATOM 1319 CD PRO A 86 -20.160 24.388 4.125 1.00 0.00 C ATOM 0 HA PRO A 86 -21.361 26.006 1.563 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -23.263 24.526 2.947 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -22.008 23.728 2.020 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -22.127 24.257 4.983 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -21.615 22.806 4.144 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -19.814 24.589 5.139 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -19.477 23.656 3.694 1.00 0.00 H new ATOM 1327 N SER A 87 -22.522 27.947 2.390 1.00 0.00 N ATOM 1328 CA SER A 87 -23.309 29.099 2.814 1.00 0.00 C ATOM 1329 C SER A 87 -24.026 29.733 1.626 1.00 0.00 C ATOM 1330 O SER A 87 -23.464 29.850 0.537 1.00 0.00 O ATOM 1331 CB SER A 87 -22.412 30.134 3.495 1.00 0.00 C ATOM 1332 OG SER A 87 -23.181 31.178 4.067 1.00 0.00 O ATOM 0 H SER A 87 -22.130 28.026 1.452 1.00 0.00 H new ATOM 0 HA SER A 87 -24.058 28.754 3.527 1.00 0.00 H new ATOM 0 HB2 SER A 87 -21.817 29.650 4.269 1.00 0.00 H new ATOM 0 HB3 SER A 87 -21.713 30.549 2.768 1.00 0.00 H new ATOM 0 HG SER A 87 -22.585 31.826 4.498 1.00 0.00 H new ATOM 1338 N SER A 88 -25.272 30.142 1.844 1.00 0.00 N ATOM 1339 CA SER A 88 -26.069 30.761 0.791 1.00 0.00 C ATOM 1340 C SER A 88 -26.414 32.204 1.149 1.00 0.00 C ATOM 1341 O SER A 88 -27.093 32.464 2.142 1.00 0.00 O ATOM 1342 CB SER A 88 -27.352 29.962 0.556 1.00 0.00 C ATOM 1343 OG SER A 88 -28.282 30.169 1.605 1.00 0.00 O ATOM 0 H SER A 88 -25.751 30.056 2.740 1.00 0.00 H new ATOM 0 HA SER A 88 -25.478 30.762 -0.125 1.00 0.00 H new ATOM 0 HB2 SER A 88 -27.799 30.257 -0.394 1.00 0.00 H new ATOM 0 HB3 SER A 88 -27.114 28.901 0.481 1.00 0.00 H new ATOM 0 HG SER A 88 -27.966 30.893 2.185 1.00 0.00 H new ATOM 1349 N GLY A 89 -25.941 33.139 0.331 1.00 0.00 N ATOM 1350 CA GLY A 89 -26.208 34.544 0.577 1.00 0.00 C ATOM 1351 C GLY A 89 -24.963 35.401 0.459 1.00 0.00 C ATOM 1352 O GLY A 89 -23.864 34.854 0.393 1.00 0.00 O ATOM 0 H GLY A 89 -25.378 32.949 -0.498 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -26.957 34.898 -0.132 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -26.632 34.661 1.574 1.00 0.00 H new TER 1356 GLY A 89 HETATM 1357 ZN ZN A 201 -5.353 15.158 2.805 1.00 0.00 ZN HETATM 1358 ZN ZN A 401 -8.268 9.642 -12.559 1.00 0.00 ZN