USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 588 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 37 SER OG : rot 139:sc= 1.17 USER MOD Set 1.2: A 58 HIS : no HD1:sc= -2.11 K(o=-0.94,f=-3.2!) USER MOD Set 2.1: A 54 SER OG : rot -101:sc= 1.4 USER MOD Set 2.2: A 55 HIS : no HD1:sc= -0.433 K(o=0.97,f=0.16) USER MOD Single : A 1 GLY N :NH3+ -109:sc= 0.0962 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00149 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.0669 X(o=-0.067,f=-0.067) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -0.134 X(o=-0.13,f=-0.016) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.193 X(o=-0.19,f=-0.64) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.688 USER MOD Single : A 57 THR OG1 : rot 102:sc= -0.0239 USER MOD Single : A 62 SER OG : rot -157:sc= 0.959 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -5.92! C(o=-5.9!,f=-6.8!) USER MOD Single : A 68 SER OG : rot 180:sc= 0.125 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -139:sc= -0.041 (180deg=-1.29) USER MOD Single : A 74 ASN : amide:sc= -1.24 K(o=-1.2,f=-3.1!) USER MOD Single : A 80 SER OG : rot 180:sc= -0.0914 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 6:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -55.462 11.531 1.798 1.00 0.00 N ATOM 2 CA GLY A 1 -54.039 11.253 1.731 1.00 0.00 C ATOM 3 C GLY A 1 -53.713 9.812 2.070 1.00 0.00 C ATOM 4 O GLY A 1 -54.583 9.057 2.504 1.00 0.00 O ATOM 0 H1 GLY A 1 -55.834 11.671 0.837 1.00 0.00 H new ATOM 0 H2 GLY A 1 -55.951 10.730 2.246 1.00 0.00 H new ATOM 0 H3 GLY A 1 -55.621 12.392 2.359 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -53.675 11.479 0.729 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -53.510 11.913 2.418 1.00 0.00 H new ATOM 8 N SER A 2 -52.456 9.428 1.870 1.00 0.00 N ATOM 9 CA SER A 2 -52.019 8.066 2.152 1.00 0.00 C ATOM 10 C SER A 2 -50.562 8.047 2.605 1.00 0.00 C ATOM 11 O SER A 2 -49.880 9.071 2.583 1.00 0.00 O ATOM 12 CB SER A 2 -52.192 7.185 0.914 1.00 0.00 C ATOM 13 OG SER A 2 -53.545 7.154 0.495 1.00 0.00 O ATOM 0 H SER A 2 -51.723 10.041 1.514 1.00 0.00 H new ATOM 0 HA SER A 2 -52.638 7.671 2.958 1.00 0.00 H new ATOM 0 HB2 SER A 2 -51.566 7.562 0.105 1.00 0.00 H new ATOM 0 HB3 SER A 2 -51.853 6.173 1.134 1.00 0.00 H new ATOM 0 HG SER A 2 -53.629 6.586 -0.299 1.00 0.00 H new ATOM 19 N SER A 3 -50.092 6.873 3.014 1.00 0.00 N ATOM 20 CA SER A 3 -48.717 6.719 3.476 1.00 0.00 C ATOM 21 C SER A 3 -48.103 5.431 2.934 1.00 0.00 C ATOM 22 O SER A 3 -48.773 4.642 2.270 1.00 0.00 O ATOM 23 CB SER A 3 -48.667 6.717 5.005 1.00 0.00 C ATOM 24 OG SER A 3 -49.517 5.718 5.542 1.00 0.00 O ATOM 0 H SER A 3 -50.643 6.015 3.035 1.00 0.00 H new ATOM 0 HA SER A 3 -48.138 7.563 3.102 1.00 0.00 H new ATOM 0 HB2 SER A 3 -47.643 6.546 5.338 1.00 0.00 H new ATOM 0 HB3 SER A 3 -48.966 7.695 5.383 1.00 0.00 H new ATOM 0 HG SER A 3 -49.466 5.736 6.520 1.00 0.00 H new ATOM 30 N GLY A 4 -46.822 5.226 3.225 1.00 0.00 N ATOM 31 CA GLY A 4 -46.138 4.034 2.759 1.00 0.00 C ATOM 32 C GLY A 4 -44.904 3.716 3.581 1.00 0.00 C ATOM 33 O GLY A 4 -44.757 4.196 4.704 1.00 0.00 O ATOM 0 H GLY A 4 -46.246 5.864 3.775 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -46.824 3.187 2.796 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -45.852 4.167 1.716 1.00 0.00 H new ATOM 37 N SER A 5 -44.014 2.903 3.019 1.00 0.00 N ATOM 38 CA SER A 5 -42.789 2.517 3.709 1.00 0.00 C ATOM 39 C SER A 5 -41.564 2.828 2.855 1.00 0.00 C ATOM 40 O SER A 5 -41.684 3.181 1.682 1.00 0.00 O ATOM 41 CB SER A 5 -42.820 1.027 4.053 1.00 0.00 C ATOM 42 OG SER A 5 -43.723 0.768 5.115 1.00 0.00 O ATOM 0 H SER A 5 -44.119 2.499 2.088 1.00 0.00 H new ATOM 0 HA SER A 5 -42.724 3.094 4.631 1.00 0.00 H new ATOM 0 HB2 SER A 5 -43.113 0.453 3.174 1.00 0.00 H new ATOM 0 HB3 SER A 5 -41.820 0.694 4.332 1.00 0.00 H new ATOM 0 HG SER A 5 -43.726 -0.191 5.315 1.00 0.00 H new ATOM 48 N SER A 6 -40.384 2.692 3.452 1.00 0.00 N ATOM 49 CA SER A 6 -39.135 2.962 2.748 1.00 0.00 C ATOM 50 C SER A 6 -38.302 1.691 2.614 1.00 0.00 C ATOM 51 O SER A 6 -38.666 0.638 3.137 1.00 0.00 O ATOM 52 CB SER A 6 -38.332 4.036 3.484 1.00 0.00 C ATOM 53 OG SER A 6 -38.687 5.333 3.037 1.00 0.00 O ATOM 0 H SER A 6 -40.266 2.397 4.421 1.00 0.00 H new ATOM 0 HA SER A 6 -39.380 3.323 1.749 1.00 0.00 H new ATOM 0 HB2 SER A 6 -38.509 3.956 4.557 1.00 0.00 H new ATOM 0 HB3 SER A 6 -37.266 3.872 3.324 1.00 0.00 H new ATOM 0 HG SER A 6 -38.161 6.002 3.524 1.00 0.00 H new ATOM 59 N GLY A 7 -37.181 1.797 1.908 1.00 0.00 N ATOM 60 CA GLY A 7 -36.313 0.650 1.717 1.00 0.00 C ATOM 61 C GLY A 7 -34.985 0.803 2.431 1.00 0.00 C ATOM 62 O GLY A 7 -34.841 1.649 3.313 1.00 0.00 O ATOM 0 H GLY A 7 -36.858 2.657 1.465 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -36.816 -0.247 2.080 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -36.135 0.507 0.651 1.00 0.00 H new ATOM 66 N GLU A 8 -34.012 -0.020 2.051 1.00 0.00 N ATOM 67 CA GLU A 8 -32.690 0.026 2.664 1.00 0.00 C ATOM 68 C GLU A 8 -31.731 0.868 1.827 1.00 0.00 C ATOM 69 O GLU A 8 -32.090 1.358 0.755 1.00 0.00 O ATOM 70 CB GLU A 8 -32.131 -1.388 2.831 1.00 0.00 C ATOM 71 CG GLU A 8 -32.618 -2.090 4.088 1.00 0.00 C ATOM 72 CD GLU A 8 -31.850 -3.365 4.378 1.00 0.00 C ATOM 73 OE1 GLU A 8 -30.602 -3.327 4.340 1.00 0.00 O ATOM 74 OE2 GLU A 8 -32.496 -4.400 4.644 1.00 0.00 O ATOM 0 H GLU A 8 -34.115 -0.726 1.322 1.00 0.00 H new ATOM 0 HA GLU A 8 -32.789 0.488 3.646 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -32.408 -1.984 1.962 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -31.042 -1.339 2.851 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -32.525 -1.413 4.937 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -33.677 -2.324 3.982 1.00 0.00 H new ATOM 81 N LEU A 9 -30.510 1.033 2.324 1.00 0.00 N ATOM 82 CA LEU A 9 -29.498 1.816 1.623 1.00 0.00 C ATOM 83 C LEU A 9 -28.554 0.909 0.840 1.00 0.00 C ATOM 84 O LEU A 9 -28.229 -0.193 1.281 1.00 0.00 O ATOM 85 CB LEU A 9 -28.703 2.664 2.617 1.00 0.00 C ATOM 86 CG LEU A 9 -29.501 3.709 3.397 1.00 0.00 C ATOM 87 CD1 LEU A 9 -30.027 3.118 4.695 1.00 0.00 C ATOM 88 CD2 LEU A 9 -28.644 4.936 3.676 1.00 0.00 C ATOM 0 H LEU A 9 -30.197 0.635 3.209 1.00 0.00 H new ATOM 0 HA LEU A 9 -30.006 2.475 0.919 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -28.223 1.995 3.331 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -27.908 3.175 2.074 1.00 0.00 H new ATOM 0 HG LEU A 9 -30.353 4.016 2.790 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -30.592 3.876 5.237 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -30.676 2.271 4.472 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -29.190 2.783 5.308 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -29.228 5.669 4.232 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -27.773 4.645 4.263 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -28.316 5.373 2.733 1.00 0.00 H new ATOM 100 N GLU A 10 -28.115 1.382 -0.322 1.00 0.00 N ATOM 101 CA GLU A 10 -27.206 0.614 -1.165 1.00 0.00 C ATOM 102 C GLU A 10 -25.900 0.323 -0.432 1.00 0.00 C ATOM 103 O GLU A 10 -25.269 1.211 0.142 1.00 0.00 O ATOM 104 CB GLU A 10 -26.918 1.370 -2.464 1.00 0.00 C ATOM 105 CG GLU A 10 -26.015 2.578 -2.277 1.00 0.00 C ATOM 106 CD GLU A 10 -26.624 3.626 -1.365 1.00 0.00 C ATOM 107 OE1 GLU A 10 -27.688 4.175 -1.718 1.00 0.00 O ATOM 108 OE2 GLU A 10 -26.036 3.895 -0.296 1.00 0.00 O ATOM 0 H GLU A 10 -28.374 2.293 -0.701 1.00 0.00 H new ATOM 0 HA GLU A 10 -27.687 -0.334 -1.405 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -26.455 0.688 -3.177 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -27.861 1.696 -2.902 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -25.060 2.253 -1.864 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -25.806 3.025 -3.249 1.00 0.00 H new ATOM 115 N PRO A 11 -25.483 -0.952 -0.450 1.00 0.00 N ATOM 116 CA PRO A 11 -24.249 -1.391 0.207 1.00 0.00 C ATOM 117 C PRO A 11 -23.000 -0.870 -0.496 1.00 0.00 C ATOM 118 O PRO A 11 -22.102 -0.319 0.139 1.00 0.00 O ATOM 119 CB PRO A 11 -24.319 -2.917 0.111 1.00 0.00 C ATOM 120 CG PRO A 11 -25.182 -3.183 -1.074 1.00 0.00 C ATOM 121 CD PRO A 11 -26.185 -2.063 -1.115 1.00 0.00 C ATOM 0 HA PRO A 11 -24.177 -1.017 1.228 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -23.327 -3.352 -0.016 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -24.744 -3.351 1.016 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -24.591 -3.211 -1.989 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -25.679 -4.149 -0.986 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -26.462 -1.809 -2.138 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -27.104 -2.328 -0.593 1.00 0.00 H new ATOM 129 N GLY A 12 -22.950 -1.048 -1.813 1.00 0.00 N ATOM 130 CA GLY A 12 -21.807 -0.590 -2.581 1.00 0.00 C ATOM 131 C GLY A 12 -21.878 0.890 -2.898 1.00 0.00 C ATOM 132 O GLY A 12 -21.917 1.281 -4.064 1.00 0.00 O ATOM 0 H GLY A 12 -23.681 -1.501 -2.362 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -20.893 -0.796 -2.024 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -21.748 -1.155 -3.511 1.00 0.00 H new ATOM 136 N ALA A 13 -21.895 1.717 -1.857 1.00 0.00 N ATOM 137 CA ALA A 13 -21.961 3.162 -2.030 1.00 0.00 C ATOM 138 C ALA A 13 -20.599 3.806 -1.792 1.00 0.00 C ATOM 139 O ALA A 13 -20.271 4.191 -0.670 1.00 0.00 O ATOM 140 CB ALA A 13 -23.000 3.759 -1.093 1.00 0.00 C ATOM 0 H ALA A 13 -21.864 1.410 -0.885 1.00 0.00 H new ATOM 0 HA ALA A 13 -22.256 3.367 -3.059 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -23.038 4.839 -1.233 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -23.977 3.330 -1.313 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -22.730 3.537 -0.061 1.00 0.00 H new ATOM 146 N PHE A 14 -19.810 3.920 -2.855 1.00 0.00 N ATOM 147 CA PHE A 14 -18.482 4.516 -2.761 1.00 0.00 C ATOM 148 C PHE A 14 -18.559 6.036 -2.873 1.00 0.00 C ATOM 149 O PHE A 14 -19.589 6.589 -3.258 1.00 0.00 O ATOM 150 CB PHE A 14 -17.571 3.958 -3.856 1.00 0.00 C ATOM 151 CG PHE A 14 -17.116 2.550 -3.598 1.00 0.00 C ATOM 152 CD1 PHE A 14 -18.038 1.536 -3.397 1.00 0.00 C ATOM 153 CD2 PHE A 14 -15.766 2.241 -3.556 1.00 0.00 C ATOM 154 CE1 PHE A 14 -17.623 0.239 -3.159 1.00 0.00 C ATOM 155 CE2 PHE A 14 -15.345 0.946 -3.320 1.00 0.00 C ATOM 156 CZ PHE A 14 -16.274 -0.056 -3.120 1.00 0.00 C ATOM 0 H PHE A 14 -20.067 3.608 -3.791 1.00 0.00 H new ATOM 0 HA PHE A 14 -18.065 4.262 -1.787 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -18.099 3.992 -4.809 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -16.697 4.602 -3.953 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -19.094 1.761 -3.427 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -15.035 3.021 -3.709 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -18.352 -0.542 -3.004 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -14.290 0.718 -3.292 1.00 0.00 H new ATOM 0 HZ PHE A 14 -15.947 -1.068 -2.933 1.00 0.00 H new ATOM 166 N SER A 15 -17.462 6.704 -2.533 1.00 0.00 N ATOM 167 CA SER A 15 -17.406 8.160 -2.591 1.00 0.00 C ATOM 168 C SER A 15 -16.032 8.633 -3.059 1.00 0.00 C ATOM 169 O SER A 15 -15.137 7.825 -3.303 1.00 0.00 O ATOM 170 CB SER A 15 -17.723 8.759 -1.219 1.00 0.00 C ATOM 171 OG SER A 15 -19.098 8.618 -0.908 1.00 0.00 O ATOM 0 H SER A 15 -16.600 6.261 -2.215 1.00 0.00 H new ATOM 0 HA SER A 15 -18.152 8.499 -3.309 1.00 0.00 H new ATOM 0 HB2 SER A 15 -17.122 8.266 -0.455 1.00 0.00 H new ATOM 0 HB3 SER A 15 -17.450 9.814 -1.207 1.00 0.00 H new ATOM 0 HG SER A 15 -19.275 9.007 -0.026 1.00 0.00 H new ATOM 177 N GLU A 16 -15.875 9.947 -3.181 1.00 0.00 N ATOM 178 CA GLU A 16 -14.612 10.527 -3.621 1.00 0.00 C ATOM 179 C GLU A 16 -14.342 11.848 -2.906 1.00 0.00 C ATOM 180 O GLU A 16 -15.217 12.392 -2.231 1.00 0.00 O ATOM 181 CB GLU A 16 -14.626 10.747 -5.135 1.00 0.00 C ATOM 182 CG GLU A 16 -13.254 10.633 -5.779 1.00 0.00 C ATOM 183 CD GLU A 16 -13.325 10.555 -7.292 1.00 0.00 C ATOM 184 OE1 GLU A 16 -14.149 9.770 -7.807 1.00 0.00 O ATOM 185 OE2 GLU A 16 -12.557 11.278 -7.960 1.00 0.00 O ATOM 0 H GLU A 16 -16.606 10.630 -2.981 1.00 0.00 H new ATOM 0 HA GLU A 16 -13.814 9.828 -3.370 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -15.295 10.019 -5.593 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -15.037 11.734 -5.347 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -12.649 11.493 -5.491 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -12.750 9.746 -5.396 1.00 0.00 H new ATOM 192 N LEU A 17 -13.125 12.359 -3.059 1.00 0.00 N ATOM 193 CA LEU A 17 -12.738 13.616 -2.428 1.00 0.00 C ATOM 194 C LEU A 17 -12.201 14.601 -3.462 1.00 0.00 C ATOM 195 O LEU A 17 -11.894 14.223 -4.593 1.00 0.00 O ATOM 196 CB LEU A 17 -11.684 13.365 -1.349 1.00 0.00 C ATOM 197 CG LEU A 17 -11.955 12.194 -0.405 1.00 0.00 C ATOM 198 CD1 LEU A 17 -10.649 11.578 0.071 1.00 0.00 C ATOM 199 CD2 LEU A 17 -12.796 12.648 0.780 1.00 0.00 C ATOM 0 H LEU A 17 -12.389 11.922 -3.615 1.00 0.00 H new ATOM 0 HA LEU A 17 -13.624 14.050 -1.966 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -10.725 13.196 -1.839 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -11.582 14.271 -0.752 1.00 0.00 H new ATOM 0 HG LEU A 17 -12.513 11.434 -0.951 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -10.862 10.746 0.742 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -10.083 11.216 -0.787 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -10.064 12.330 0.600 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -12.979 11.801 1.442 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -12.264 13.427 1.326 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -13.747 13.041 0.422 1.00 0.00 H new ATOM 211 N TYR A 18 -12.087 15.863 -3.065 1.00 0.00 N ATOM 212 CA TYR A 18 -11.587 16.903 -3.957 1.00 0.00 C ATOM 213 C TYR A 18 -10.062 16.951 -3.935 1.00 0.00 C ATOM 214 O TYR A 18 -9.417 16.981 -4.983 1.00 0.00 O ATOM 215 CB TYR A 18 -12.157 18.265 -3.558 1.00 0.00 C ATOM 216 CG TYR A 18 -13.641 18.239 -3.270 1.00 0.00 C ATOM 217 CD1 TYR A 18 -14.123 17.808 -2.040 1.00 0.00 C ATOM 218 CD2 TYR A 18 -14.562 18.643 -4.229 1.00 0.00 C ATOM 219 CE1 TYR A 18 -15.478 17.782 -1.772 1.00 0.00 C ATOM 220 CE2 TYR A 18 -15.919 18.622 -3.969 1.00 0.00 C ATOM 221 CZ TYR A 18 -16.372 18.190 -2.740 1.00 0.00 C ATOM 222 OH TYR A 18 -17.723 18.166 -2.478 1.00 0.00 O ATOM 0 H TYR A 18 -12.334 16.191 -2.131 1.00 0.00 H new ATOM 0 HA TYR A 18 -11.911 16.664 -4.970 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -11.630 18.625 -2.674 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -11.963 18.979 -4.358 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -13.426 17.488 -1.280 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -14.211 18.979 -5.194 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -15.835 17.444 -0.810 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -16.621 18.942 -4.724 1.00 0.00 H new ATOM 0 HH TYR A 18 -18.214 18.486 -3.263 1.00 0.00 H new ATOM 232 N GLN A 19 -9.494 16.958 -2.734 1.00 0.00 N ATOM 233 CA GLN A 19 -8.045 17.003 -2.574 1.00 0.00 C ATOM 234 C GLN A 19 -7.418 15.654 -2.912 1.00 0.00 C ATOM 235 O GLN A 19 -7.970 14.604 -2.584 1.00 0.00 O ATOM 236 CB GLN A 19 -7.681 17.405 -1.144 1.00 0.00 C ATOM 237 CG GLN A 19 -8.240 18.756 -0.730 1.00 0.00 C ATOM 238 CD GLN A 19 -7.820 19.873 -1.665 1.00 0.00 C ATOM 239 OE1 GLN A 19 -6.707 20.392 -1.570 1.00 0.00 O ATOM 240 NE2 GLN A 19 -8.709 20.249 -2.576 1.00 0.00 N ATOM 0 H GLN A 19 -10.015 16.933 -1.857 1.00 0.00 H new ATOM 0 HA GLN A 19 -7.651 17.749 -3.264 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -8.049 16.643 -0.457 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -6.596 17.425 -1.046 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -9.328 18.701 -0.701 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -7.906 18.989 0.281 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -9.620 19.792 -2.619 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -8.482 20.995 -3.233 1.00 0.00 H new ATOM 249 N ARG A 20 -6.264 15.692 -3.569 1.00 0.00 N ATOM 250 CA ARG A 20 -5.563 14.473 -3.953 1.00 0.00 C ATOM 251 C ARG A 20 -5.294 13.594 -2.734 1.00 0.00 C ATOM 252 O ARG A 20 -4.732 14.051 -1.739 1.00 0.00 O ATOM 253 CB ARG A 20 -4.245 14.814 -4.649 1.00 0.00 C ATOM 254 CG ARG A 20 -3.841 13.809 -5.716 1.00 0.00 C ATOM 255 CD ARG A 20 -4.481 14.132 -7.056 1.00 0.00 C ATOM 256 NE ARG A 20 -3.638 15.003 -7.871 1.00 0.00 N ATOM 257 CZ ARG A 20 -4.109 15.804 -8.819 1.00 0.00 C ATOM 258 NH1 ARG A 20 -5.410 15.845 -9.072 1.00 0.00 N ATOM 259 NH2 ARG A 20 -3.278 16.567 -9.518 1.00 0.00 N ATOM 0 H ARG A 20 -5.794 16.554 -3.847 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.199 13.921 -4.645 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.329 15.801 -5.105 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.454 14.875 -3.901 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.756 13.805 -5.821 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.135 12.807 -5.403 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.675 13.206 -7.597 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.445 14.613 -6.890 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.632 14.995 -7.702 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.052 15.260 -8.537 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.769 16.462 -9.801 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.276 16.538 -9.327 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.641 17.182 -10.246 1.00 0.00 H new ATOM 273 N TYR A 21 -5.699 12.332 -2.821 1.00 0.00 N ATOM 274 CA TYR A 21 -5.505 11.390 -1.725 1.00 0.00 C ATOM 275 C TYR A 21 -4.084 10.834 -1.729 1.00 0.00 C ATOM 276 O TYR A 21 -3.591 10.370 -2.757 1.00 0.00 O ATOM 277 CB TYR A 21 -6.514 10.245 -1.824 1.00 0.00 C ATOM 278 CG TYR A 21 -6.430 9.263 -0.677 1.00 0.00 C ATOM 279 CD1 TYR A 21 -5.429 8.300 -0.632 1.00 0.00 C ATOM 280 CD2 TYR A 21 -7.351 9.299 0.363 1.00 0.00 C ATOM 281 CE1 TYR A 21 -5.350 7.401 0.413 1.00 0.00 C ATOM 282 CE2 TYR A 21 -7.278 8.405 1.413 1.00 0.00 C ATOM 283 CZ TYR A 21 -6.276 7.457 1.434 1.00 0.00 C ATOM 284 OH TYR A 21 -6.199 6.564 2.478 1.00 0.00 O ATOM 0 H TYR A 21 -6.164 11.938 -3.639 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.663 11.924 -0.788 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -7.521 10.661 -1.862 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -6.354 9.711 -2.761 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.700 8.254 -1.428 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -8.138 10.039 0.350 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.567 6.657 0.431 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -8.002 8.448 2.214 1.00 0.00 H new ATOM 0 HH TYR A 21 -6.925 6.740 3.113 1.00 0.00 H new ATOM 294 N ARG A 22 -3.432 10.885 -0.572 1.00 0.00 N ATOM 295 CA ARG A 22 -2.068 10.387 -0.442 1.00 0.00 C ATOM 296 C ARG A 22 -1.765 10.006 1.004 1.00 0.00 C ATOM 297 O ARG A 22 -1.564 10.872 1.856 1.00 0.00 O ATOM 298 CB ARG A 22 -1.070 11.441 -0.923 1.00 0.00 C ATOM 299 CG ARG A 22 -1.042 12.692 -0.060 1.00 0.00 C ATOM 300 CD ARG A 22 -0.681 13.924 -0.876 1.00 0.00 C ATOM 301 NE ARG A 22 0.021 14.924 -0.075 1.00 0.00 N ATOM 302 CZ ARG A 22 1.317 14.861 0.209 1.00 0.00 C ATOM 303 NH1 ARG A 22 2.049 13.850 -0.241 1.00 0.00 N ATOM 304 NH2 ARG A 22 1.884 15.809 0.943 1.00 0.00 N ATOM 0 H ARG A 22 -3.826 11.266 0.288 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.972 9.496 -1.062 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.073 11.002 -0.944 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.316 11.722 -1.947 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.017 12.836 0.406 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.319 12.563 0.746 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.055 13.630 -1.719 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.588 14.363 -1.290 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.514 15.714 0.286 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.617 13.119 -0.806 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.044 13.804 -0.022 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.325 16.588 1.290 1.00 0.00 H new ATOM 0 HH22 ARG A 22 2.879 15.759 1.160 1.00 0.00 H new ATOM 318 N HIS A 23 -1.733 8.704 1.273 1.00 0.00 N ATOM 319 CA HIS A 23 -1.453 8.208 2.616 1.00 0.00 C ATOM 320 C HIS A 23 -0.836 6.814 2.563 1.00 0.00 C ATOM 321 O HIS A 23 -1.480 5.854 2.140 1.00 0.00 O ATOM 322 CB HIS A 23 -2.735 8.179 3.449 1.00 0.00 C ATOM 323 CG HIS A 23 -2.999 9.455 4.188 1.00 0.00 C ATOM 324 ND1 HIS A 23 -4.250 10.029 4.276 1.00 0.00 N ATOM 325 CD2 HIS A 23 -2.164 10.268 4.877 1.00 0.00 C ATOM 326 CE1 HIS A 23 -4.172 11.141 4.986 1.00 0.00 C ATOM 327 NE2 HIS A 23 -2.917 11.308 5.363 1.00 0.00 N ATOM 0 H HIS A 23 -1.897 7.974 0.579 1.00 0.00 H new ATOM 0 HA HIS A 23 -0.739 8.885 3.085 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -3.580 7.967 2.793 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -2.674 7.360 4.165 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -1.103 10.125 5.018 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -4.995 11.801 5.218 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -2.565 12.084 5.924 1.00 0.00 H new ATOM 336 N CYS A 24 0.417 6.711 2.993 1.00 0.00 N ATOM 337 CA CYS A 24 1.123 5.435 2.993 1.00 0.00 C ATOM 338 C CYS A 24 0.285 4.350 3.663 1.00 0.00 C ATOM 339 O CYS A 24 0.014 4.413 4.862 1.00 0.00 O ATOM 340 CB CYS A 24 2.468 5.573 3.711 1.00 0.00 C ATOM 341 SG CYS A 24 3.281 3.984 4.076 1.00 0.00 S ATOM 0 H CYS A 24 0.965 7.496 3.346 1.00 0.00 H new ATOM 0 HA CYS A 24 1.299 5.145 1.957 1.00 0.00 H new ATOM 0 HB2 CYS A 24 3.135 6.178 3.097 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.316 6.114 4.645 1.00 0.00 H new ATOM 346 N ASP A 25 -0.120 3.356 2.880 1.00 0.00 N ATOM 347 CA ASP A 25 -0.926 2.256 3.397 1.00 0.00 C ATOM 348 C ASP A 25 -0.330 0.911 2.995 1.00 0.00 C ATOM 349 O ASP A 25 -1.040 -0.089 2.897 1.00 0.00 O ATOM 350 CB ASP A 25 -2.363 2.364 2.886 1.00 0.00 C ATOM 351 CG ASP A 25 -3.209 3.298 3.729 1.00 0.00 C ATOM 352 OD1 ASP A 25 -2.960 3.384 4.949 1.00 0.00 O ATOM 353 OD2 ASP A 25 -4.121 3.942 3.168 1.00 0.00 O ATOM 0 H ASP A 25 0.096 3.289 1.885 1.00 0.00 H new ATOM 0 HA ASP A 25 -0.930 2.321 4.485 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.353 2.718 1.855 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.818 1.374 2.878 1.00 0.00 H new ATOM 358 N ALA A 26 0.979 0.895 2.763 1.00 0.00 N ATOM 359 CA ALA A 26 1.670 -0.328 2.373 1.00 0.00 C ATOM 360 C ALA A 26 1.901 -1.236 3.576 1.00 0.00 C ATOM 361 O ALA A 26 1.714 -0.841 4.727 1.00 0.00 O ATOM 362 CB ALA A 26 2.993 0.006 1.700 1.00 0.00 C ATOM 0 H ALA A 26 1.582 1.715 2.838 1.00 0.00 H new ATOM 0 HA ALA A 26 1.038 -0.863 1.664 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.499 -0.916 1.414 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.807 0.609 0.811 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.622 0.565 2.392 1.00 0.00 H new ATOM 368 N PRO A 27 2.317 -2.482 3.306 1.00 0.00 N ATOM 369 CA PRO A 27 2.582 -3.472 4.354 1.00 0.00 C ATOM 370 C PRO A 27 3.822 -3.131 5.174 1.00 0.00 C ATOM 371 O PRO A 27 3.788 -3.150 6.405 1.00 0.00 O ATOM 372 CB PRO A 27 2.799 -4.769 3.570 1.00 0.00 C ATOM 373 CG PRO A 27 3.258 -4.326 2.225 1.00 0.00 C ATOM 374 CD PRO A 27 2.560 -3.021 1.958 1.00 0.00 C ATOM 0 HA PRO A 27 1.769 -3.526 5.078 1.00 0.00 H new ATOM 0 HB2 PRO A 27 3.542 -5.404 4.053 1.00 0.00 H new ATOM 0 HB3 PRO A 27 1.879 -5.350 3.503 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.341 -4.201 2.204 1.00 0.00 H new ATOM 0 HG3 PRO A 27 3.008 -5.065 1.464 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.178 -2.349 1.362 1.00 0.00 H new ATOM 0 HD3 PRO A 27 1.629 -3.168 1.410 1.00 0.00 H new ATOM 382 N ILE A 28 4.914 -2.820 4.484 1.00 0.00 N ATOM 383 CA ILE A 28 6.164 -2.473 5.149 1.00 0.00 C ATOM 384 C ILE A 28 6.722 -1.157 4.618 1.00 0.00 C ATOM 385 O ILE A 28 6.741 -0.920 3.410 1.00 0.00 O ATOM 386 CB ILE A 28 7.223 -3.577 4.968 1.00 0.00 C ATOM 387 CG1 ILE A 28 6.696 -4.911 5.501 1.00 0.00 C ATOM 388 CG2 ILE A 28 8.515 -3.192 5.673 1.00 0.00 C ATOM 389 CD1 ILE A 28 6.457 -4.914 6.994 1.00 0.00 C ATOM 0 H ILE A 28 4.959 -2.801 3.465 1.00 0.00 H new ATOM 0 HA ILE A 28 5.938 -2.367 6.210 1.00 0.00 H new ATOM 0 HB ILE A 28 7.432 -3.689 3.904 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.763 -5.153 4.992 1.00 0.00 H new ATOM 0 HG13 ILE A 28 7.408 -5.698 5.254 1.00 0.00 H new ATOM 0 HG21 ILE A 28 9.254 -3.982 5.536 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.896 -2.262 5.252 1.00 0.00 H new ATOM 0 HG23 ILE A 28 8.322 -3.056 6.737 1.00 0.00 H new ATOM 0 HD11 ILE A 28 6.084 -5.891 7.301 1.00 0.00 H new ATOM 0 HD12 ILE A 28 7.392 -4.703 7.513 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.722 -4.150 7.246 1.00 0.00 H new ATOM 401 N CYS A 29 7.178 -0.304 5.529 1.00 0.00 N ATOM 402 CA CYS A 29 7.739 0.988 5.154 1.00 0.00 C ATOM 403 C CYS A 29 9.181 1.117 5.638 1.00 0.00 C ATOM 404 O CYS A 29 9.454 1.042 6.837 1.00 0.00 O ATOM 405 CB CYS A 29 6.892 2.123 5.734 1.00 0.00 C ATOM 406 SG CYS A 29 6.973 3.673 4.781 1.00 0.00 S ATOM 0 H CYS A 29 7.170 -0.485 6.533 1.00 0.00 H new ATOM 0 HA CYS A 29 7.732 1.057 4.066 1.00 0.00 H new ATOM 0 HB2 CYS A 29 5.854 1.796 5.788 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.218 2.320 6.755 1.00 0.00 H new ATOM 411 N LEU A 30 10.099 1.310 4.698 1.00 0.00 N ATOM 412 CA LEU A 30 11.513 1.450 5.027 1.00 0.00 C ATOM 413 C LEU A 30 11.866 2.907 5.309 1.00 0.00 C ATOM 414 O LEU A 30 12.726 3.199 6.139 1.00 0.00 O ATOM 415 CB LEU A 30 12.378 0.916 3.885 1.00 0.00 C ATOM 416 CG LEU A 30 11.976 -0.447 3.319 1.00 0.00 C ATOM 417 CD1 LEU A 30 12.324 -0.535 1.841 1.00 0.00 C ATOM 418 CD2 LEU A 30 12.652 -1.568 4.095 1.00 0.00 C ATOM 0 H LEU A 30 9.890 1.373 3.702 1.00 0.00 H new ATOM 0 HA LEU A 30 11.710 0.867 5.927 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.362 1.643 3.073 1.00 0.00 H new ATOM 0 HB3 LEU A 30 13.408 0.852 4.235 1.00 0.00 H new ATOM 0 HG LEU A 30 10.897 -0.558 3.425 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.031 -1.512 1.456 1.00 0.00 H new ATOM 0 HD12 LEU A 30 11.793 0.245 1.295 1.00 0.00 H new ATOM 0 HD13 LEU A 30 13.398 -0.401 1.712 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.354 -2.530 3.678 1.00 0.00 H new ATOM 0 HD22 LEU A 30 13.734 -1.460 4.022 1.00 0.00 H new ATOM 0 HD23 LEU A 30 12.353 -1.518 5.142 1.00 0.00 H new ATOM 430 N TYR A 31 11.194 3.817 4.613 1.00 0.00 N ATOM 431 CA TYR A 31 11.436 5.245 4.788 1.00 0.00 C ATOM 432 C TYR A 31 11.223 5.659 6.241 1.00 0.00 C ATOM 433 O TYR A 31 10.101 5.638 6.746 1.00 0.00 O ATOM 434 CB TYR A 31 10.515 6.055 3.875 1.00 0.00 C ATOM 435 CG TYR A 31 11.054 7.426 3.533 1.00 0.00 C ATOM 436 CD1 TYR A 31 12.178 7.571 2.729 1.00 0.00 C ATOM 437 CD2 TYR A 31 10.440 8.575 4.014 1.00 0.00 C ATOM 438 CE1 TYR A 31 12.674 8.821 2.415 1.00 0.00 C ATOM 439 CE2 TYR A 31 10.929 9.830 3.704 1.00 0.00 C ATOM 440 CZ TYR A 31 12.046 9.948 2.905 1.00 0.00 C ATOM 441 OH TYR A 31 12.537 11.195 2.593 1.00 0.00 O ATOM 0 H TYR A 31 10.478 3.592 3.923 1.00 0.00 H new ATOM 0 HA TYR A 31 12.473 5.448 4.519 1.00 0.00 H new ATOM 0 HB2 TYR A 31 10.350 5.498 2.953 1.00 0.00 H new ATOM 0 HB3 TYR A 31 9.544 6.166 4.358 1.00 0.00 H new ATOM 0 HD1 TYR A 31 12.672 6.691 2.343 1.00 0.00 H new ATOM 0 HD2 TYR A 31 9.565 8.486 4.641 1.00 0.00 H new ATOM 0 HE1 TYR A 31 13.549 8.916 1.789 1.00 0.00 H new ATOM 0 HE2 TYR A 31 10.439 10.713 4.086 1.00 0.00 H new ATOM 0 HH TYR A 31 11.980 11.881 3.016 1.00 0.00 H new ATOM 451 N GLU A 32 12.310 6.037 6.907 1.00 0.00 N ATOM 452 CA GLU A 32 12.243 6.457 8.302 1.00 0.00 C ATOM 453 C GLU A 32 10.980 7.271 8.565 1.00 0.00 C ATOM 454 O GLU A 32 10.108 6.853 9.326 1.00 0.00 O ATOM 455 CB GLU A 32 13.480 7.281 8.669 1.00 0.00 C ATOM 456 CG GLU A 32 14.779 6.498 8.587 1.00 0.00 C ATOM 457 CD GLU A 32 15.961 7.270 9.140 1.00 0.00 C ATOM 458 OE1 GLU A 32 15.849 7.806 10.262 1.00 0.00 O ATOM 459 OE2 GLU A 32 17.000 7.337 8.449 1.00 0.00 O ATOM 0 H GLU A 32 13.246 6.061 6.503 1.00 0.00 H new ATOM 0 HA GLU A 32 12.213 5.562 8.924 1.00 0.00 H new ATOM 0 HB2 GLU A 32 13.542 8.143 8.004 1.00 0.00 H new ATOM 0 HB3 GLU A 32 13.362 7.667 9.681 1.00 0.00 H new ATOM 0 HG2 GLU A 32 14.671 5.563 9.137 1.00 0.00 H new ATOM 0 HG3 GLU A 32 14.976 6.235 7.548 1.00 0.00 H new ATOM 466 N GLN A 33 10.890 8.436 7.930 1.00 0.00 N ATOM 467 CA GLN A 33 9.734 9.309 8.097 1.00 0.00 C ATOM 468 C GLN A 33 8.438 8.505 8.079 1.00 0.00 C ATOM 469 O GLN A 33 7.494 8.815 8.805 1.00 0.00 O ATOM 470 CB GLN A 33 9.707 10.369 6.995 1.00 0.00 C ATOM 471 CG GLN A 33 10.419 11.658 7.372 1.00 0.00 C ATOM 472 CD GLN A 33 11.723 11.411 8.105 1.00 0.00 C ATOM 473 OE1 GLN A 33 11.752 11.326 9.333 1.00 0.00 O ATOM 474 NE2 GLN A 33 12.812 11.293 7.353 1.00 0.00 N ATOM 0 H GLN A 33 11.603 8.796 7.296 1.00 0.00 H new ATOM 0 HA GLN A 33 9.819 9.803 9.065 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.168 9.959 6.097 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.670 10.596 6.746 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.618 12.236 6.470 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.763 12.261 7.999 1.00 0.00 H new ATOM 0 HE21 GLN A 33 12.742 11.370 6.338 1.00 0.00 H new ATOM 0 HE22 GLN A 33 13.718 11.125 7.790 1.00 0.00 H new ATOM 483 N GLY A 34 8.400 7.472 7.244 1.00 0.00 N ATOM 484 CA GLY A 34 7.214 6.640 7.147 1.00 0.00 C ATOM 485 C GLY A 34 5.943 7.456 7.014 1.00 0.00 C ATOM 486 O GLY A 34 4.862 6.995 7.379 1.00 0.00 O ATOM 0 H GLY A 34 9.169 7.196 6.633 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.308 5.977 6.287 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.145 6.007 8.031 1.00 0.00 H new ATOM 490 N ARG A 35 6.074 8.671 6.492 1.00 0.00 N ATOM 491 CA ARG A 35 4.927 9.553 6.315 1.00 0.00 C ATOM 492 C ARG A 35 4.552 9.669 4.840 1.00 0.00 C ATOM 493 O ARG A 35 5.102 8.965 3.993 1.00 0.00 O ATOM 494 CB ARG A 35 5.231 10.940 6.885 1.00 0.00 C ATOM 495 CG ARG A 35 6.145 11.775 6.002 1.00 0.00 C ATOM 496 CD ARG A 35 6.589 13.047 6.706 1.00 0.00 C ATOM 497 NE ARG A 35 7.240 13.980 5.790 1.00 0.00 N ATOM 498 CZ ARG A 35 7.338 15.285 6.018 1.00 0.00 C ATOM 499 NH1 ARG A 35 6.832 15.808 7.126 1.00 0.00 N ATOM 500 NH2 ARG A 35 7.945 16.070 5.137 1.00 0.00 N ATOM 0 H ARG A 35 6.962 9.067 6.184 1.00 0.00 H new ATOM 0 HA ARG A 35 4.083 9.122 6.854 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.294 11.476 7.033 1.00 0.00 H new ATOM 0 HB3 ARG A 35 5.692 10.827 7.866 1.00 0.00 H new ATOM 0 HG2 ARG A 35 7.020 11.188 5.724 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.626 12.031 5.078 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.725 13.530 7.162 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.275 12.794 7.514 1.00 0.00 H new ATOM 0 HE ARG A 35 7.641 13.609 4.929 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.366 15.208 7.806 1.00 0.00 H new ATOM 0 HH12 ARG A 35 6.909 16.810 7.298 1.00 0.00 H new ATOM 0 HH21 ARG A 35 8.337 15.671 4.284 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.020 17.072 5.313 1.00 0.00 H new ATOM 514 N ASP A 36 3.614 10.560 4.542 1.00 0.00 N ATOM 515 CA ASP A 36 3.165 10.768 3.170 1.00 0.00 C ATOM 516 C ASP A 36 4.199 11.559 2.374 1.00 0.00 C ATOM 517 O ASP A 36 3.862 12.518 1.680 1.00 0.00 O ATOM 518 CB ASP A 36 1.823 11.501 3.154 1.00 0.00 C ATOM 519 CG ASP A 36 1.824 12.730 4.042 1.00 0.00 C ATOM 520 OD1 ASP A 36 2.513 13.712 3.695 1.00 0.00 O ATOM 521 OD2 ASP A 36 1.135 12.710 5.083 1.00 0.00 O ATOM 0 H ASP A 36 3.149 11.150 5.232 1.00 0.00 H new ATOM 0 HA ASP A 36 3.042 9.791 2.703 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.585 11.795 2.132 1.00 0.00 H new ATOM 0 HB3 ASP A 36 1.037 10.821 3.481 1.00 0.00 H new ATOM 526 N SER A 37 5.460 11.150 2.481 1.00 0.00 N ATOM 527 CA SER A 37 6.544 11.823 1.776 1.00 0.00 C ATOM 528 C SER A 37 6.866 11.110 0.467 1.00 0.00 C ATOM 529 O SER A 37 6.923 9.881 0.414 1.00 0.00 O ATOM 530 CB SER A 37 7.793 11.885 2.657 1.00 0.00 C ATOM 531 OG SER A 37 8.343 10.594 2.853 1.00 0.00 O ATOM 0 H SER A 37 5.755 10.356 3.049 1.00 0.00 H new ATOM 0 HA SER A 37 6.220 12.838 1.546 1.00 0.00 H new ATOM 0 HB2 SER A 37 8.536 12.534 2.194 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.540 12.326 3.621 1.00 0.00 H new ATOM 0 HG SER A 37 9.320 10.641 2.789 1.00 0.00 H new ATOM 537 N PHE A 38 7.076 11.889 -0.589 1.00 0.00 N ATOM 538 CA PHE A 38 7.392 11.333 -1.899 1.00 0.00 C ATOM 539 C PHE A 38 8.079 12.372 -2.780 1.00 0.00 C ATOM 540 O PHE A 38 7.785 13.564 -2.695 1.00 0.00 O ATOM 541 CB PHE A 38 6.119 10.829 -2.583 1.00 0.00 C ATOM 542 CG PHE A 38 5.251 9.990 -1.690 1.00 0.00 C ATOM 543 CD1 PHE A 38 5.441 8.620 -1.605 1.00 0.00 C ATOM 544 CD2 PHE A 38 4.244 10.571 -0.936 1.00 0.00 C ATOM 545 CE1 PHE A 38 4.643 7.846 -0.785 1.00 0.00 C ATOM 546 CE2 PHE A 38 3.443 9.801 -0.113 1.00 0.00 C ATOM 547 CZ PHE A 38 3.644 8.437 -0.037 1.00 0.00 C ATOM 0 H PHE A 38 7.033 12.908 -0.563 1.00 0.00 H new ATOM 0 HA PHE A 38 8.075 10.496 -1.755 1.00 0.00 H new ATOM 0 HB2 PHE A 38 5.543 11.684 -2.937 1.00 0.00 H new ATOM 0 HB3 PHE A 38 6.395 10.245 -3.461 1.00 0.00 H new ATOM 0 HD1 PHE A 38 6.222 8.152 -2.186 1.00 0.00 H new ATOM 0 HD2 PHE A 38 4.083 11.637 -0.992 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.800 6.779 -0.729 1.00 0.00 H new ATOM 0 HE2 PHE A 38 2.661 10.266 0.470 1.00 0.00 H new ATOM 0 HZ PHE A 38 3.021 7.833 0.606 1.00 0.00 H new ATOM 557 N GLU A 39 8.996 11.911 -3.625 1.00 0.00 N ATOM 558 CA GLU A 39 9.726 12.800 -4.521 1.00 0.00 C ATOM 559 C GLU A 39 9.206 12.680 -5.950 1.00 0.00 C ATOM 560 O GLU A 39 8.575 11.686 -6.311 1.00 0.00 O ATOM 561 CB GLU A 39 11.222 12.484 -4.482 1.00 0.00 C ATOM 562 CG GLU A 39 12.106 13.691 -4.747 1.00 0.00 C ATOM 563 CD GLU A 39 13.548 13.308 -5.019 1.00 0.00 C ATOM 564 OE1 GLU A 39 14.315 13.152 -4.045 1.00 0.00 O ATOM 565 OE2 GLU A 39 13.910 13.166 -6.206 1.00 0.00 O ATOM 0 H GLU A 39 9.251 10.927 -3.708 1.00 0.00 H new ATOM 0 HA GLU A 39 9.570 13.824 -4.181 1.00 0.00 H new ATOM 0 HB2 GLU A 39 11.472 12.069 -3.506 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.442 11.714 -5.222 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.713 14.244 -5.600 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.067 14.361 -3.888 1.00 0.00 H new ATOM 572 N ASP A 40 9.475 13.699 -6.759 1.00 0.00 N ATOM 573 CA ASP A 40 9.035 13.708 -8.150 1.00 0.00 C ATOM 574 C ASP A 40 9.077 12.303 -8.742 1.00 0.00 C ATOM 575 O ASP A 40 8.161 11.891 -9.452 1.00 0.00 O ATOM 576 CB ASP A 40 9.911 14.650 -8.977 1.00 0.00 C ATOM 577 CG ASP A 40 9.222 15.117 -10.244 1.00 0.00 C ATOM 578 OD1 ASP A 40 8.382 14.361 -10.776 1.00 0.00 O ATOM 579 OD2 ASP A 40 9.523 16.238 -10.705 1.00 0.00 O ATOM 0 H ASP A 40 9.995 14.529 -6.476 1.00 0.00 H new ATOM 0 HA ASP A 40 8.005 14.064 -8.178 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.180 15.516 -8.372 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.840 14.143 -9.238 1.00 0.00 H new ATOM 584 N GLU A 41 10.148 11.572 -8.445 1.00 0.00 N ATOM 585 CA GLU A 41 10.309 10.214 -8.950 1.00 0.00 C ATOM 586 C GLU A 41 11.276 9.420 -8.077 1.00 0.00 C ATOM 587 O GLU A 41 11.833 9.944 -7.114 1.00 0.00 O ATOM 588 CB GLU A 41 10.813 10.240 -10.395 1.00 0.00 C ATOM 589 CG GLU A 41 9.807 10.811 -11.380 1.00 0.00 C ATOM 590 CD GLU A 41 10.269 10.693 -12.820 1.00 0.00 C ATOM 591 OE1 GLU A 41 10.414 9.550 -13.304 1.00 0.00 O ATOM 592 OE2 GLU A 41 10.485 11.741 -13.462 1.00 0.00 O ATOM 0 H GLU A 41 10.916 11.898 -7.858 1.00 0.00 H new ATOM 0 HA GLU A 41 9.335 9.725 -8.921 1.00 0.00 H new ATOM 0 HB2 GLU A 41 11.729 10.829 -10.441 1.00 0.00 H new ATOM 0 HB3 GLU A 41 11.071 9.226 -10.699 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.856 10.292 -11.264 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.629 11.860 -11.144 1.00 0.00 H new ATOM 599 N GLY A 42 11.470 8.150 -8.422 1.00 0.00 N ATOM 600 CA GLY A 42 12.369 7.303 -7.660 1.00 0.00 C ATOM 601 C GLY A 42 11.632 6.240 -6.870 1.00 0.00 C ATOM 602 O GLY A 42 10.436 6.029 -7.066 1.00 0.00 O ATOM 0 H GLY A 42 11.021 7.693 -9.215 1.00 0.00 H new ATOM 0 HA2 GLY A 42 13.074 6.823 -8.339 1.00 0.00 H new ATOM 0 HA3 GLY A 42 12.953 7.920 -6.977 1.00 0.00 H new ATOM 606 N ARG A 43 12.349 5.567 -5.975 1.00 0.00 N ATOM 607 CA ARG A 43 11.757 4.518 -5.154 1.00 0.00 C ATOM 608 C ARG A 43 10.725 5.098 -4.192 1.00 0.00 C ATOM 609 O ARG A 43 9.687 4.486 -3.937 1.00 0.00 O ATOM 610 CB ARG A 43 12.843 3.780 -4.370 1.00 0.00 C ATOM 611 CG ARG A 43 13.682 4.690 -3.488 1.00 0.00 C ATOM 612 CD ARG A 43 14.951 3.996 -3.019 1.00 0.00 C ATOM 613 NE ARG A 43 16.001 4.030 -4.034 1.00 0.00 N ATOM 614 CZ ARG A 43 17.211 3.510 -3.857 1.00 0.00 C ATOM 615 NH1 ARG A 43 17.521 2.918 -2.712 1.00 0.00 N ATOM 616 NH2 ARG A 43 18.112 3.580 -4.828 1.00 0.00 N ATOM 0 H ARG A 43 13.341 5.730 -5.800 1.00 0.00 H new ATOM 0 HA ARG A 43 11.255 3.813 -5.817 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.375 3.016 -3.749 1.00 0.00 H new ATOM 0 HB3 ARG A 43 13.498 3.263 -5.071 1.00 0.00 H new ATOM 0 HG2 ARG A 43 13.943 5.593 -4.039 1.00 0.00 H new ATOM 0 HG3 ARG A 43 13.096 5.002 -2.624 1.00 0.00 H new ATOM 0 HD2 ARG A 43 15.311 4.476 -2.109 1.00 0.00 H new ATOM 0 HD3 ARG A 43 14.725 2.960 -2.766 1.00 0.00 H new ATOM 0 HE ARG A 43 15.794 4.477 -4.927 1.00 0.00 H new ATOM 0 HH11 ARG A 43 16.830 2.861 -1.964 1.00 0.00 H new ATOM 0 HH12 ARG A 43 18.451 2.520 -2.579 1.00 0.00 H new ATOM 0 HH21 ARG A 43 17.876 4.033 -5.711 1.00 0.00 H new ATOM 0 HH22 ARG A 43 19.041 3.181 -4.692 1.00 0.00 H new ATOM 630 N TRP A 44 11.017 6.279 -3.661 1.00 0.00 N ATOM 631 CA TRP A 44 10.115 6.941 -2.725 1.00 0.00 C ATOM 632 C TRP A 44 9.122 7.831 -3.465 1.00 0.00 C ATOM 633 O TRP A 44 8.944 8.999 -3.118 1.00 0.00 O ATOM 634 CB TRP A 44 10.911 7.771 -1.717 1.00 0.00 C ATOM 635 CG TRP A 44 12.099 7.048 -1.159 1.00 0.00 C ATOM 636 CD1 TRP A 44 13.403 7.451 -1.211 1.00 0.00 C ATOM 637 CD2 TRP A 44 12.091 5.796 -0.465 1.00 0.00 C ATOM 638 NE1 TRP A 44 14.206 6.524 -0.592 1.00 0.00 N ATOM 639 CE2 TRP A 44 13.426 5.500 -0.125 1.00 0.00 C ATOM 640 CE3 TRP A 44 11.088 4.896 -0.097 1.00 0.00 C ATOM 641 CZ2 TRP A 44 13.780 4.343 0.563 1.00 0.00 C ATOM 642 CZ3 TRP A 44 11.440 3.748 0.587 1.00 0.00 C ATOM 643 CH2 TRP A 44 12.776 3.480 0.912 1.00 0.00 C ATOM 0 H TRP A 44 11.871 6.799 -3.862 1.00 0.00 H new ATOM 0 HA TRP A 44 9.557 6.172 -2.190 1.00 0.00 H new ATOM 0 HB2 TRP A 44 11.247 8.690 -2.198 1.00 0.00 H new ATOM 0 HB3 TRP A 44 10.254 8.062 -0.897 1.00 0.00 H new ATOM 0 HD1 TRP A 44 13.751 8.364 -1.671 1.00 0.00 H new ATOM 0 HE1 TRP A 44 15.219 6.588 -0.496 1.00 0.00 H new ATOM 0 HE3 TRP A 44 10.055 5.094 -0.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 14.810 4.134 0.813 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 10.672 3.046 0.876 1.00 0.00 H new ATOM 0 HH2 TRP A 44 13.019 2.575 1.448 1.00 0.00 H new ATOM 654 N ARG A 45 8.477 7.273 -4.484 1.00 0.00 N ATOM 655 CA ARG A 45 7.503 8.017 -5.272 1.00 0.00 C ATOM 656 C ARG A 45 6.081 7.581 -4.932 1.00 0.00 C ATOM 657 O ARG A 45 5.805 6.391 -4.778 1.00 0.00 O ATOM 658 CB ARG A 45 7.765 7.818 -6.766 1.00 0.00 C ATOM 659 CG ARG A 45 7.606 6.378 -7.226 1.00 0.00 C ATOM 660 CD ARG A 45 7.941 6.224 -8.701 1.00 0.00 C ATOM 661 NE ARG A 45 6.808 6.561 -9.558 1.00 0.00 N ATOM 662 CZ ARG A 45 5.882 5.684 -9.930 1.00 0.00 C ATOM 663 NH1 ARG A 45 5.954 4.424 -9.522 1.00 0.00 N ATOM 664 NH2 ARG A 45 4.880 6.066 -10.711 1.00 0.00 N ATOM 0 H ARG A 45 8.612 6.307 -4.783 1.00 0.00 H new ATOM 0 HA ARG A 45 7.608 9.074 -5.029 1.00 0.00 H new ATOM 0 HB2 ARG A 45 7.081 8.449 -7.333 1.00 0.00 H new ATOM 0 HB3 ARG A 45 8.776 8.155 -6.997 1.00 0.00 H new ATOM 0 HG2 ARG A 45 8.256 5.732 -6.635 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.582 6.049 -7.048 1.00 0.00 H new ATOM 0 HD2 ARG A 45 8.787 6.865 -8.949 1.00 0.00 H new ATOM 0 HD3 ARG A 45 8.251 5.198 -8.897 1.00 0.00 H new ATOM 0 HE ARG A 45 6.723 7.522 -9.889 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.722 4.126 -8.921 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.241 3.753 -9.810 1.00 0.00 H new ATOM 0 HH21 ARG A 45 4.820 7.034 -11.027 1.00 0.00 H new ATOM 0 HH22 ARG A 45 4.170 5.392 -10.996 1.00 0.00 H new ATOM 678 N LEU A 46 5.182 8.553 -4.815 1.00 0.00 N ATOM 679 CA LEU A 46 3.788 8.270 -4.492 1.00 0.00 C ATOM 680 C LEU A 46 3.101 7.536 -5.639 1.00 0.00 C ATOM 681 O LEU A 46 2.828 8.120 -6.688 1.00 0.00 O ATOM 682 CB LEU A 46 3.042 9.569 -4.184 1.00 0.00 C ATOM 683 CG LEU A 46 1.529 9.447 -4.000 1.00 0.00 C ATOM 684 CD1 LEU A 46 1.203 8.823 -2.652 1.00 0.00 C ATOM 685 CD2 LEU A 46 0.863 10.809 -4.135 1.00 0.00 C ATOM 0 H LEU A 46 5.394 9.543 -4.939 1.00 0.00 H new ATOM 0 HA LEU A 46 3.768 7.628 -3.611 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.464 10.001 -3.277 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.234 10.275 -4.992 1.00 0.00 H new ATOM 0 HG LEU A 46 1.139 8.795 -4.782 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.122 8.744 -2.539 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.647 7.829 -2.594 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.606 9.448 -1.855 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.213 10.702 -4.001 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.258 11.484 -3.376 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.067 11.217 -5.125 1.00 0.00 H new ATOM 697 N ILE A 47 2.824 6.253 -5.432 1.00 0.00 N ATOM 698 CA ILE A 47 2.166 5.440 -6.447 1.00 0.00 C ATOM 699 C ILE A 47 0.688 5.248 -6.125 1.00 0.00 C ATOM 700 O ILE A 47 0.335 4.673 -5.094 1.00 0.00 O ATOM 701 CB ILE A 47 2.834 4.060 -6.583 1.00 0.00 C ATOM 702 CG1 ILE A 47 4.273 4.212 -7.079 1.00 0.00 C ATOM 703 CG2 ILE A 47 2.034 3.174 -7.527 1.00 0.00 C ATOM 704 CD1 ILE A 47 4.961 2.893 -7.354 1.00 0.00 C ATOM 0 H ILE A 47 3.045 5.754 -4.570 1.00 0.00 H new ATOM 0 HA ILE A 47 2.263 5.976 -7.391 1.00 0.00 H new ATOM 0 HB ILE A 47 2.856 3.586 -5.602 1.00 0.00 H new ATOM 0 HG12 ILE A 47 4.273 4.809 -7.991 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.848 4.764 -6.336 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.519 2.202 -7.613 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.025 3.043 -7.135 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.984 3.642 -8.510 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.977 3.078 -7.702 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.993 2.302 -6.439 1.00 0.00 H new ATOM 0 HD13 ILE A 47 4.409 2.347 -8.119 1.00 0.00 H new ATOM 716 N LEU A 48 -0.174 5.731 -7.013 1.00 0.00 N ATOM 717 CA LEU A 48 -1.615 5.611 -6.825 1.00 0.00 C ATOM 718 C LEU A 48 -2.159 4.384 -7.551 1.00 0.00 C ATOM 719 O LEU A 48 -1.769 4.096 -8.683 1.00 0.00 O ATOM 720 CB LEU A 48 -2.322 6.871 -7.330 1.00 0.00 C ATOM 721 CG LEU A 48 -2.213 8.106 -6.435 1.00 0.00 C ATOM 722 CD1 LEU A 48 -2.717 9.341 -7.165 1.00 0.00 C ATOM 723 CD2 LEU A 48 -2.986 7.897 -5.141 1.00 0.00 C ATOM 0 H LEU A 48 0.100 6.210 -7.871 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.809 5.495 -5.759 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.919 7.121 -8.311 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.378 6.640 -7.469 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.163 8.259 -6.187 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.632 10.210 -6.512 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.120 9.502 -8.063 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.761 9.198 -7.444 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.897 8.786 -4.517 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.037 7.718 -5.370 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.579 7.037 -4.609 1.00 0.00 H new ATOM 735 N CYS A 49 -3.062 3.666 -6.892 1.00 0.00 N ATOM 736 CA CYS A 49 -3.661 2.471 -7.474 1.00 0.00 C ATOM 737 C CYS A 49 -4.151 2.744 -8.893 1.00 0.00 C ATOM 738 O CYS A 49 -4.389 3.891 -9.269 1.00 0.00 O ATOM 739 CB CYS A 49 -4.823 1.984 -6.606 1.00 0.00 C ATOM 740 SG CYS A 49 -5.709 0.546 -7.289 1.00 0.00 S ATOM 0 H CYS A 49 -3.395 3.891 -5.955 1.00 0.00 H new ATOM 0 HA CYS A 49 -2.897 1.695 -7.516 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -4.441 1.727 -5.618 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -5.530 2.803 -6.471 1.00 0.00 H new ATOM 745 N ALA A 50 -4.299 1.680 -9.676 1.00 0.00 N ATOM 746 CA ALA A 50 -4.762 1.804 -11.053 1.00 0.00 C ATOM 747 C ALA A 50 -6.195 1.304 -11.197 1.00 0.00 C ATOM 748 O ALA A 50 -7.020 1.932 -11.861 1.00 0.00 O ATOM 749 CB ALA A 50 -3.838 1.042 -11.991 1.00 0.00 C ATOM 0 H ALA A 50 -4.105 0.723 -9.380 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.745 2.860 -11.323 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.196 1.143 -13.016 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.829 1.448 -11.917 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.826 -0.012 -11.713 1.00 0.00 H new ATOM 755 N THR A 51 -6.486 0.168 -10.571 1.00 0.00 N ATOM 756 CA THR A 51 -7.819 -0.419 -10.631 1.00 0.00 C ATOM 757 C THR A 51 -8.884 0.593 -10.221 1.00 0.00 C ATOM 758 O THR A 51 -9.876 0.784 -10.924 1.00 0.00 O ATOM 759 CB THR A 51 -7.929 -1.658 -9.724 1.00 0.00 C ATOM 760 OG1 THR A 51 -6.987 -2.654 -10.138 1.00 0.00 O ATOM 761 CG2 THR A 51 -9.336 -2.236 -9.765 1.00 0.00 C ATOM 0 H THR A 51 -5.816 -0.364 -10.016 1.00 0.00 H new ATOM 0 HA THR A 51 -7.986 -0.720 -11.665 1.00 0.00 H new ATOM 0 HB THR A 51 -7.708 -1.352 -8.701 1.00 0.00 H new ATOM 0 HG1 THR A 51 -7.062 -3.438 -9.555 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.389 -3.110 -9.116 1.00 0.00 H new ATOM 0 HG22 THR A 51 -10.048 -1.485 -9.421 1.00 0.00 H new ATOM 0 HG23 THR A 51 -9.580 -2.527 -10.787 1.00 0.00 H new ATOM 769 N CYS A 52 -8.671 1.239 -9.080 1.00 0.00 N ATOM 770 CA CYS A 52 -9.611 2.232 -8.576 1.00 0.00 C ATOM 771 C CYS A 52 -8.945 3.600 -8.453 1.00 0.00 C ATOM 772 O CYS A 52 -9.512 4.616 -8.850 1.00 0.00 O ATOM 773 CB CYS A 52 -10.164 1.798 -7.217 1.00 0.00 C ATOM 774 SG CYS A 52 -8.949 1.870 -5.862 1.00 0.00 S ATOM 0 H CYS A 52 -7.855 1.092 -8.486 1.00 0.00 H new ATOM 0 HA CYS A 52 -10.433 2.311 -9.287 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -11.013 2.432 -6.963 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -10.541 0.778 -7.299 1.00 0.00 H new ATOM 779 N GLY A 53 -7.736 3.615 -7.899 1.00 0.00 N ATOM 780 CA GLY A 53 -7.012 4.862 -7.733 1.00 0.00 C ATOM 781 C GLY A 53 -7.454 5.630 -6.503 1.00 0.00 C ATOM 782 O GLY A 53 -7.819 6.802 -6.592 1.00 0.00 O ATOM 0 H GLY A 53 -7.246 2.786 -7.562 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -5.945 4.652 -7.662 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.157 5.483 -8.617 1.00 0.00 H new ATOM 786 N SER A 54 -7.422 4.967 -5.351 1.00 0.00 N ATOM 787 CA SER A 54 -7.827 5.593 -4.097 1.00 0.00 C ATOM 788 C SER A 54 -6.676 5.599 -3.096 1.00 0.00 C ATOM 789 O SER A 54 -6.392 6.617 -2.465 1.00 0.00 O ATOM 790 CB SER A 54 -9.031 4.860 -3.503 1.00 0.00 C ATOM 791 OG SER A 54 -8.737 3.492 -3.280 1.00 0.00 O ATOM 0 H SER A 54 -7.120 3.997 -5.260 1.00 0.00 H new ATOM 0 HA SER A 54 -8.107 6.625 -4.308 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.320 5.331 -2.563 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.883 4.947 -4.178 1.00 0.00 H new ATOM 0 HG SER A 54 -9.124 2.952 -4.001 1.00 0.00 H new ATOM 797 N HIS A 55 -6.016 4.453 -2.956 1.00 0.00 N ATOM 798 CA HIS A 55 -4.894 4.325 -2.032 1.00 0.00 C ATOM 799 C HIS A 55 -3.647 5.001 -2.595 1.00 0.00 C ATOM 800 O HIS A 55 -3.586 5.327 -3.779 1.00 0.00 O ATOM 801 CB HIS A 55 -4.606 2.851 -1.748 1.00 0.00 C ATOM 802 CG HIS A 55 -5.570 2.227 -0.787 1.00 0.00 C ATOM 803 ND1 HIS A 55 -5.281 1.090 -0.062 1.00 0.00 N ATOM 804 CD2 HIS A 55 -6.826 2.587 -0.433 1.00 0.00 C ATOM 805 CE1 HIS A 55 -6.317 0.778 0.696 1.00 0.00 C ATOM 806 NE2 HIS A 55 -7.268 1.671 0.490 1.00 0.00 N ATOM 0 H HIS A 55 -6.239 3.601 -3.470 1.00 0.00 H new ATOM 0 HA HIS A 55 -5.164 4.820 -1.099 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -4.631 2.297 -2.686 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -3.596 2.757 -1.349 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -7.378 3.437 -0.807 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -6.376 -0.064 1.370 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -8.182 1.679 0.943 1.00 0.00 H new ATOM 815 N GLY A 56 -2.653 5.208 -1.736 1.00 0.00 N ATOM 816 CA GLY A 56 -1.422 5.844 -2.165 1.00 0.00 C ATOM 817 C GLY A 56 -0.263 5.552 -1.233 1.00 0.00 C ATOM 818 O GLY A 56 -0.322 5.858 -0.041 1.00 0.00 O ATOM 0 H GLY A 56 -2.679 4.946 -0.751 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.171 5.503 -3.169 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.575 6.922 -2.223 1.00 0.00 H new ATOM 822 N THR A 57 0.795 4.957 -1.774 1.00 0.00 N ATOM 823 CA THR A 57 1.972 4.622 -0.982 1.00 0.00 C ATOM 824 C THR A 57 3.232 4.628 -1.840 1.00 0.00 C ATOM 825 O THR A 57 3.160 4.695 -3.068 1.00 0.00 O ATOM 826 CB THR A 57 1.826 3.241 -0.316 1.00 0.00 C ATOM 827 OG1 THR A 57 2.749 3.121 0.772 1.00 0.00 O ATOM 828 CG2 THR A 57 2.072 2.126 -1.322 1.00 0.00 C ATOM 0 H THR A 57 0.861 4.697 -2.758 1.00 0.00 H new ATOM 0 HA THR A 57 2.059 5.384 -0.208 1.00 0.00 H new ATOM 0 HB THR A 57 0.807 3.150 0.061 1.00 0.00 H new ATOM 0 HG1 THR A 57 2.275 3.255 1.619 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.963 1.160 -0.829 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.349 2.202 -2.134 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.081 2.216 -1.725 1.00 0.00 H new ATOM 836 N HIS A 58 4.388 4.558 -1.187 1.00 0.00 N ATOM 837 CA HIS A 58 5.665 4.555 -1.891 1.00 0.00 C ATOM 838 C HIS A 58 5.768 3.352 -2.823 1.00 0.00 C ATOM 839 O HIS A 58 4.842 2.546 -2.918 1.00 0.00 O ATOM 840 CB HIS A 58 6.822 4.541 -0.891 1.00 0.00 C ATOM 841 CG HIS A 58 6.651 5.512 0.236 1.00 0.00 C ATOM 842 ND1 HIS A 58 5.816 5.280 1.309 1.00 0.00 N ATOM 843 CD2 HIS A 58 7.216 6.722 0.456 1.00 0.00 C ATOM 844 CE1 HIS A 58 5.873 6.307 2.138 1.00 0.00 C ATOM 845 NE2 HIS A 58 6.716 7.195 1.644 1.00 0.00 N ATOM 0 H HIS A 58 4.466 4.503 -0.172 1.00 0.00 H new ATOM 0 HA HIS A 58 5.724 5.463 -2.491 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.925 3.536 -0.481 1.00 0.00 H new ATOM 0 HB3 HIS A 58 7.749 4.768 -1.417 1.00 0.00 H new ATOM 0 HD2 HIS A 58 7.928 7.222 -0.184 1.00 0.00 H new ATOM 0 HE1 HIS A 58 5.323 6.404 3.063 1.00 0.00 H new ATOM 0 HE2 HIS A 58 6.957 8.088 2.075 1.00 0.00 H new ATOM 853 N ARG A 59 6.900 3.237 -3.510 1.00 0.00 N ATOM 854 CA ARG A 59 7.123 2.134 -4.437 1.00 0.00 C ATOM 855 C ARG A 59 7.664 0.910 -3.704 1.00 0.00 C ATOM 856 O ARG A 59 6.983 -0.110 -3.593 1.00 0.00 O ATOM 857 CB ARG A 59 8.098 2.554 -5.539 1.00 0.00 C ATOM 858 CG ARG A 59 8.032 1.676 -6.777 1.00 0.00 C ATOM 859 CD ARG A 59 9.027 0.528 -6.700 1.00 0.00 C ATOM 860 NE ARG A 59 10.381 0.954 -7.044 1.00 0.00 N ATOM 861 CZ ARG A 59 11.414 0.122 -7.130 1.00 0.00 C ATOM 862 NH1 ARG A 59 11.247 -1.173 -6.898 1.00 0.00 N ATOM 863 NH2 ARG A 59 12.615 0.585 -7.449 1.00 0.00 N ATOM 0 H ARG A 59 7.677 3.894 -3.442 1.00 0.00 H new ATOM 0 HA ARG A 59 6.166 1.873 -4.889 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.889 3.585 -5.824 1.00 0.00 H new ATOM 0 HB3 ARG A 59 9.113 2.532 -5.142 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.023 1.278 -6.889 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.237 2.278 -7.662 1.00 0.00 H new ATOM 0 HD2 ARG A 59 9.023 0.111 -5.693 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.715 -0.268 -7.376 1.00 0.00 H new ATOM 0 HE ARG A 59 10.543 1.944 -7.228 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.324 -1.532 -6.653 1.00 0.00 H new ATOM 0 HH12 ARG A 59 12.041 -1.810 -6.965 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.747 1.580 -7.629 1.00 0.00 H new ATOM 0 HH22 ARG A 59 13.407 -0.054 -7.515 1.00 0.00 H new ATOM 877 N ASP A 60 8.891 1.018 -3.207 1.00 0.00 N ATOM 878 CA ASP A 60 9.523 -0.079 -2.485 1.00 0.00 C ATOM 879 C ASP A 60 8.726 -0.437 -1.234 1.00 0.00 C ATOM 880 O ASP A 60 8.772 -1.572 -0.759 1.00 0.00 O ATOM 881 CB ASP A 60 10.956 0.293 -2.102 1.00 0.00 C ATOM 882 CG ASP A 60 11.903 0.243 -3.285 1.00 0.00 C ATOM 883 OD1 ASP A 60 11.508 0.696 -4.380 1.00 0.00 O ATOM 884 OD2 ASP A 60 13.039 -0.246 -3.116 1.00 0.00 O ATOM 0 H ASP A 60 9.468 1.855 -3.291 1.00 0.00 H new ATOM 0 HA ASP A 60 9.545 -0.949 -3.142 1.00 0.00 H new ATOM 0 HB2 ASP A 60 10.966 1.296 -1.674 1.00 0.00 H new ATOM 0 HB3 ASP A 60 11.310 -0.387 -1.328 1.00 0.00 H new ATOM 889 N CYS A 61 7.996 0.539 -0.705 1.00 0.00 N ATOM 890 CA CYS A 61 7.190 0.328 0.492 1.00 0.00 C ATOM 891 C CYS A 61 6.118 -0.730 0.246 1.00 0.00 C ATOM 892 O CYS A 61 5.852 -1.570 1.106 1.00 0.00 O ATOM 893 CB CYS A 61 6.535 1.640 0.928 1.00 0.00 C ATOM 894 SG CYS A 61 5.573 1.514 2.470 1.00 0.00 S ATOM 0 H CYS A 61 7.946 1.484 -1.086 1.00 0.00 H new ATOM 0 HA CYS A 61 7.848 -0.024 1.286 1.00 0.00 H new ATOM 0 HB2 CYS A 61 7.310 2.396 1.057 1.00 0.00 H new ATOM 0 HB3 CYS A 61 5.879 1.989 0.130 1.00 0.00 H new ATOM 899 N SER A 62 5.507 -0.684 -0.934 1.00 0.00 N ATOM 900 CA SER A 62 4.463 -1.636 -1.292 1.00 0.00 C ATOM 901 C SER A 62 5.067 -2.928 -1.832 1.00 0.00 C ATOM 902 O SER A 62 4.441 -3.638 -2.618 1.00 0.00 O ATOM 903 CB SER A 62 3.522 -1.025 -2.332 1.00 0.00 C ATOM 904 OG SER A 62 2.205 -1.527 -2.185 1.00 0.00 O ATOM 0 H SER A 62 5.718 0.003 -1.658 1.00 0.00 H new ATOM 0 HA SER A 62 3.895 -1.871 -0.392 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.515 0.060 -2.228 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.889 -1.246 -3.334 1.00 0.00 H new ATOM 0 HG SER A 62 1.720 -1.426 -3.031 1.00 0.00 H new ATOM 910 N SER A 63 6.290 -3.226 -1.405 1.00 0.00 N ATOM 911 CA SER A 63 6.983 -4.430 -1.849 1.00 0.00 C ATOM 912 C SER A 63 6.788 -4.649 -3.346 1.00 0.00 C ATOM 913 O SER A 63 6.334 -5.710 -3.776 1.00 0.00 O ATOM 914 CB SER A 63 6.478 -5.649 -1.074 1.00 0.00 C ATOM 915 OG SER A 63 7.455 -6.675 -1.044 1.00 0.00 O ATOM 0 H SER A 63 6.821 -2.650 -0.752 1.00 0.00 H new ATOM 0 HA SER A 63 8.048 -4.299 -1.655 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.222 -5.356 -0.056 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.565 -6.025 -1.536 1.00 0.00 H new ATOM 0 HG SER A 63 7.109 -7.442 -0.542 1.00 0.00 H new ATOM 921 N LEU A 64 7.134 -3.637 -4.135 1.00 0.00 N ATOM 922 CA LEU A 64 6.997 -3.717 -5.585 1.00 0.00 C ATOM 923 C LEU A 64 8.339 -4.027 -6.242 1.00 0.00 C ATOM 924 O LEU A 64 9.359 -4.149 -5.564 1.00 0.00 O ATOM 925 CB LEU A 64 6.437 -2.405 -6.137 1.00 0.00 C ATOM 926 CG LEU A 64 5.012 -2.052 -5.710 1.00 0.00 C ATOM 927 CD1 LEU A 64 4.742 -0.570 -5.925 1.00 0.00 C ATOM 928 CD2 LEU A 64 4.002 -2.895 -6.474 1.00 0.00 C ATOM 0 H LEU A 64 7.511 -2.752 -3.795 1.00 0.00 H new ATOM 0 HA LEU A 64 6.304 -4.526 -5.816 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.098 -1.594 -5.832 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.468 -2.449 -7.226 1.00 0.00 H new ATOM 0 HG LEU A 64 4.908 -2.270 -4.647 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.723 -0.337 -5.616 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.444 0.017 -5.333 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.865 -0.327 -6.980 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.993 -2.630 -6.157 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.107 -2.709 -7.543 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.181 -3.951 -6.270 1.00 0.00 H new ATOM 940 N ARG A 65 8.329 -4.150 -7.565 1.00 0.00 N ATOM 941 CA ARG A 65 9.545 -4.444 -8.314 1.00 0.00 C ATOM 942 C ARG A 65 10.100 -3.182 -8.968 1.00 0.00 C ATOM 943 O ARG A 65 9.416 -2.165 -9.090 1.00 0.00 O ATOM 944 CB ARG A 65 9.269 -5.506 -9.380 1.00 0.00 C ATOM 945 CG ARG A 65 9.574 -6.923 -8.922 1.00 0.00 C ATOM 946 CD ARG A 65 8.789 -7.286 -7.672 1.00 0.00 C ATOM 947 NE ARG A 65 8.486 -8.713 -7.611 1.00 0.00 N ATOM 948 CZ ARG A 65 7.473 -9.221 -6.917 1.00 0.00 C ATOM 949 NH1 ARG A 65 6.670 -8.421 -6.229 1.00 0.00 N ATOM 950 NH2 ARG A 65 7.263 -10.531 -6.911 1.00 0.00 N ATOM 0 H ARG A 65 7.493 -4.051 -8.140 1.00 0.00 H new ATOM 0 HA ARG A 65 10.289 -4.826 -7.615 1.00 0.00 H new ATOM 0 HB2 ARG A 65 8.222 -5.447 -9.677 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.865 -5.283 -10.265 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.333 -7.624 -9.721 1.00 0.00 H new ATOM 0 HG3 ARG A 65 10.641 -7.021 -8.724 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.360 -6.999 -6.789 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.860 -6.717 -7.650 1.00 0.00 H new ATOM 0 HE ARG A 65 9.085 -9.355 -8.130 1.00 0.00 H new ATOM 0 HH11 ARG A 65 6.829 -7.414 -6.232 1.00 0.00 H new ATOM 0 HH12 ARG A 65 5.893 -8.813 -5.697 1.00 0.00 H new ATOM 0 HH21 ARG A 65 7.879 -11.149 -7.439 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.485 -10.920 -6.378 1.00 0.00 H new ATOM 964 N PRO A 66 11.368 -3.247 -9.400 1.00 0.00 N ATOM 965 CA PRO A 66 12.042 -2.119 -10.049 1.00 0.00 C ATOM 966 C PRO A 66 11.481 -1.830 -11.437 1.00 0.00 C ATOM 967 O PRO A 66 11.117 -2.746 -12.173 1.00 0.00 O ATOM 968 CB PRO A 66 13.497 -2.584 -10.146 1.00 0.00 C ATOM 969 CG PRO A 66 13.421 -4.071 -10.150 1.00 0.00 C ATOM 970 CD PRO A 66 12.241 -4.428 -9.288 1.00 0.00 C ATOM 0 HA PRO A 66 11.913 -1.191 -9.492 1.00 0.00 H new ATOM 0 HB2 PRO A 66 13.972 -2.210 -11.053 1.00 0.00 H new ATOM 0 HB3 PRO A 66 14.086 -2.220 -9.304 1.00 0.00 H new ATOM 0 HG2 PRO A 66 13.294 -4.452 -11.163 1.00 0.00 H new ATOM 0 HG3 PRO A 66 14.338 -4.510 -9.757 1.00 0.00 H new ATOM 0 HD2 PRO A 66 11.743 -5.331 -9.642 1.00 0.00 H new ATOM 0 HD3 PRO A 66 12.538 -4.612 -8.256 1.00 0.00 H new ATOM 978 N ASN A 67 11.415 -0.550 -11.789 1.00 0.00 N ATOM 979 CA ASN A 67 10.898 -0.140 -13.090 1.00 0.00 C ATOM 980 C ASN A 67 9.575 -0.837 -13.394 1.00 0.00 C ATOM 981 O ASN A 67 9.332 -1.265 -14.522 1.00 0.00 O ATOM 982 CB ASN A 67 11.916 -0.454 -14.188 1.00 0.00 C ATOM 983 CG ASN A 67 12.619 -1.779 -13.964 1.00 0.00 C ATOM 984 OD1 ASN A 67 13.659 -1.840 -13.308 1.00 0.00 O ATOM 985 ND2 ASN A 67 12.052 -2.848 -14.511 1.00 0.00 N ATOM 0 H ASN A 67 11.713 0.221 -11.192 1.00 0.00 H new ATOM 0 HA ASN A 67 10.724 0.936 -13.061 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.410 -0.473 -15.154 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.657 0.344 -14.232 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.479 -3.767 -14.395 1.00 0.00 H new ATOM 0 HD22 ASN A 67 11.190 -2.750 -15.047 1.00 0.00 H new ATOM 992 N SER A 68 8.724 -0.947 -12.379 1.00 0.00 N ATOM 993 CA SER A 68 7.427 -1.595 -12.536 1.00 0.00 C ATOM 994 C SER A 68 6.528 -0.791 -13.470 1.00 0.00 C ATOM 995 O SER A 68 6.955 0.201 -14.061 1.00 0.00 O ATOM 996 CB SER A 68 6.748 -1.761 -11.175 1.00 0.00 C ATOM 997 OG SER A 68 5.590 -2.571 -11.278 1.00 0.00 O ATOM 0 H SER A 68 8.909 -0.596 -11.439 1.00 0.00 H new ATOM 0 HA SER A 68 7.591 -2.579 -12.975 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.447 -2.209 -10.469 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.477 -0.782 -10.779 1.00 0.00 H new ATOM 0 HG SER A 68 5.176 -2.663 -10.395 1.00 0.00 H new ATOM 1003 N LYS A 69 5.280 -1.228 -13.601 1.00 0.00 N ATOM 1004 CA LYS A 69 4.318 -0.550 -14.462 1.00 0.00 C ATOM 1005 C LYS A 69 3.217 0.107 -13.636 1.00 0.00 C ATOM 1006 O LYS A 69 3.134 1.333 -13.556 1.00 0.00 O ATOM 1007 CB LYS A 69 3.704 -1.541 -15.454 1.00 0.00 C ATOM 1008 CG LYS A 69 3.105 -0.880 -16.682 1.00 0.00 C ATOM 1009 CD LYS A 69 4.126 -0.753 -17.801 1.00 0.00 C ATOM 1010 CE LYS A 69 4.771 0.624 -17.813 1.00 0.00 C ATOM 1011 NZ LYS A 69 6.177 0.573 -18.301 1.00 0.00 N ATOM 0 H LYS A 69 4.911 -2.049 -13.122 1.00 0.00 H new ATOM 0 HA LYS A 69 4.846 0.227 -15.014 1.00 0.00 H new ATOM 0 HB2 LYS A 69 4.471 -2.248 -15.770 1.00 0.00 H new ATOM 0 HB3 LYS A 69 2.929 -2.117 -14.947 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.252 -1.463 -17.031 1.00 0.00 H new ATOM 0 HG3 LYS A 69 2.729 0.108 -16.417 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.896 -1.515 -17.681 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.641 -0.937 -18.760 1.00 0.00 H new ATOM 0 HE2 LYS A 69 4.190 1.292 -18.449 1.00 0.00 H new ATOM 0 HE3 LYS A 69 4.751 1.044 -16.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 6.582 1.531 -18.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 6.738 -0.044 -17.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 6.195 0.197 -19.270 1.00 0.00 H new ATOM 1025 N LYS A 70 2.373 -0.715 -13.022 1.00 0.00 N ATOM 1026 CA LYS A 70 1.278 -0.214 -12.199 1.00 0.00 C ATOM 1027 C LYS A 70 1.110 -1.062 -10.943 1.00 0.00 C ATOM 1028 O LYS A 70 1.479 -2.237 -10.921 1.00 0.00 O ATOM 1029 CB LYS A 70 -0.026 -0.206 -13.000 1.00 0.00 C ATOM 1030 CG LYS A 70 -0.373 -1.552 -13.612 1.00 0.00 C ATOM 1031 CD LYS A 70 -1.860 -1.667 -13.900 1.00 0.00 C ATOM 1032 CE LYS A 70 -2.618 -2.226 -12.705 1.00 0.00 C ATOM 1033 NZ LYS A 70 -2.290 -3.658 -12.461 1.00 0.00 N ATOM 0 H LYS A 70 2.426 -1.732 -13.079 1.00 0.00 H new ATOM 0 HA LYS A 70 1.519 0.806 -11.898 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -0.841 0.108 -12.348 1.00 0.00 H new ATOM 0 HB3 LYS A 70 0.050 0.536 -13.795 1.00 0.00 H new ATOM 0 HG2 LYS A 70 0.189 -1.688 -14.536 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.070 -2.350 -12.934 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.259 -0.686 -14.158 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.015 -2.312 -14.765 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.378 -1.642 -11.817 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.690 -2.123 -12.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.158 -4.176 -12.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.873 -4.070 -13.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.610 -3.730 -11.677 1.00 0.00 H new ATOM 1047 N TRP A 71 0.551 -0.461 -9.899 1.00 0.00 N ATOM 1048 CA TRP A 71 0.332 -1.162 -8.639 1.00 0.00 C ATOM 1049 C TRP A 71 -1.132 -1.087 -8.221 1.00 0.00 C ATOM 1050 O TRP A 71 -1.816 -0.103 -8.500 1.00 0.00 O ATOM 1051 CB TRP A 71 1.220 -0.571 -7.543 1.00 0.00 C ATOM 1052 CG TRP A 71 0.630 -0.694 -6.171 1.00 0.00 C ATOM 1053 CD1 TRP A 71 0.701 -1.778 -5.342 1.00 0.00 C ATOM 1054 CD2 TRP A 71 -0.121 0.301 -5.468 1.00 0.00 C ATOM 1055 NE1 TRP A 71 0.038 -1.516 -4.167 1.00 0.00 N ATOM 1056 CE2 TRP A 71 -0.474 -0.246 -4.219 1.00 0.00 C ATOM 1057 CE3 TRP A 71 -0.529 1.603 -5.772 1.00 0.00 C ATOM 1058 CZ2 TRP A 71 -1.215 0.463 -3.278 1.00 0.00 C ATOM 1059 CZ3 TRP A 71 -1.264 2.306 -4.837 1.00 0.00 C ATOM 1060 CH2 TRP A 71 -1.601 1.735 -3.602 1.00 0.00 C ATOM 0 H TRP A 71 0.241 0.511 -9.900 1.00 0.00 H new ATOM 0 HA TRP A 71 0.595 -2.210 -8.784 1.00 0.00 H new ATOM 0 HB2 TRP A 71 2.188 -1.071 -7.561 1.00 0.00 H new ATOM 0 HB3 TRP A 71 1.401 0.482 -7.760 1.00 0.00 H new ATOM 0 HD1 TRP A 71 1.204 -2.705 -5.576 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -0.057 -2.162 -3.383 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -0.274 2.051 -6.721 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -1.476 0.025 -2.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -1.584 3.313 -5.061 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -2.177 2.310 -2.892 1.00 0.00 H new ATOM 1071 N GLU A 72 -1.606 -2.132 -7.549 1.00 0.00 N ATOM 1072 CA GLU A 72 -2.990 -2.182 -7.093 1.00 0.00 C ATOM 1073 C GLU A 72 -3.062 -2.154 -5.569 1.00 0.00 C ATOM 1074 O GLU A 72 -2.211 -2.723 -4.886 1.00 0.00 O ATOM 1075 CB GLU A 72 -3.680 -3.440 -7.625 1.00 0.00 C ATOM 1076 CG GLU A 72 -3.918 -3.416 -9.125 1.00 0.00 C ATOM 1077 CD GLU A 72 -3.970 -4.806 -9.730 1.00 0.00 C ATOM 1078 OE1 GLU A 72 -2.951 -5.525 -9.651 1.00 0.00 O ATOM 1079 OE2 GLU A 72 -5.027 -5.175 -10.281 1.00 0.00 O ATOM 0 H GLU A 72 -1.052 -2.954 -7.309 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.505 -1.303 -7.480 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.072 -4.310 -7.376 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.636 -3.563 -7.116 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.855 -2.898 -9.332 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.125 -2.844 -9.606 1.00 0.00 H new ATOM 1086 N CYS A 73 -4.084 -1.487 -5.044 1.00 0.00 N ATOM 1087 CA CYS A 73 -4.269 -1.383 -3.601 1.00 0.00 C ATOM 1088 C CYS A 73 -4.635 -2.737 -3.000 1.00 0.00 C ATOM 1089 O CYS A 73 -4.792 -3.723 -3.718 1.00 0.00 O ATOM 1090 CB CYS A 73 -5.358 -0.358 -3.279 1.00 0.00 C ATOM 1091 SG CYS A 73 -7.015 -0.819 -3.879 1.00 0.00 S ATOM 0 H CYS A 73 -4.797 -1.010 -5.596 1.00 0.00 H new ATOM 0 HA CYS A 73 -3.327 -1.054 -3.162 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -5.401 -0.217 -2.199 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -5.079 0.601 -3.715 1.00 0.00 H new ATOM 1096 N ASN A 74 -4.769 -2.774 -1.679 1.00 0.00 N ATOM 1097 CA ASN A 74 -5.117 -4.007 -0.980 1.00 0.00 C ATOM 1098 C ASN A 74 -6.508 -4.487 -1.384 1.00 0.00 C ATOM 1099 O ASN A 74 -6.658 -5.556 -1.974 1.00 0.00 O ATOM 1100 CB ASN A 74 -5.058 -3.794 0.534 1.00 0.00 C ATOM 1101 CG ASN A 74 -5.173 -5.094 1.305 1.00 0.00 C ATOM 1102 OD1 ASN A 74 -6.103 -5.873 1.095 1.00 0.00 O ATOM 1103 ND2 ASN A 74 -4.226 -5.334 2.205 1.00 0.00 N ATOM 0 H ASN A 74 -4.642 -1.965 -1.070 1.00 0.00 H new ATOM 0 HA ASN A 74 -4.392 -4.771 -1.261 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.120 -3.303 0.793 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -5.863 -3.123 0.836 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -4.251 -6.192 2.755 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -3.474 -4.660 2.346 1.00 0.00 H new ATOM 1110 N GLU A 75 -7.520 -3.688 -1.062 1.00 0.00 N ATOM 1111 CA GLU A 75 -8.899 -4.032 -1.391 1.00 0.00 C ATOM 1112 C GLU A 75 -8.996 -4.596 -2.805 1.00 0.00 C ATOM 1113 O GLU A 75 -9.817 -5.470 -3.083 1.00 0.00 O ATOM 1114 CB GLU A 75 -9.800 -2.804 -1.257 1.00 0.00 C ATOM 1115 CG GLU A 75 -9.496 -1.711 -2.268 1.00 0.00 C ATOM 1116 CD GLU A 75 -10.680 -0.797 -2.514 1.00 0.00 C ATOM 1117 OE1 GLU A 75 -10.993 0.020 -1.622 1.00 0.00 O ATOM 1118 OE2 GLU A 75 -11.294 -0.898 -3.596 1.00 0.00 O ATOM 0 H GLU A 75 -7.412 -2.799 -0.574 1.00 0.00 H new ATOM 0 HA GLU A 75 -9.233 -4.797 -0.690 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -10.839 -3.113 -1.370 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -9.696 -2.396 -0.252 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.652 -1.119 -1.914 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.192 -2.167 -3.210 1.00 0.00 H new ATOM 1125 N CYS A 76 -8.151 -4.089 -3.697 1.00 0.00 N ATOM 1126 CA CYS A 76 -8.141 -4.540 -5.084 1.00 0.00 C ATOM 1127 C CYS A 76 -7.395 -5.864 -5.220 1.00 0.00 C ATOM 1128 O CYS A 76 -7.922 -6.832 -5.770 1.00 0.00 O ATOM 1129 CB CYS A 76 -7.493 -3.483 -5.980 1.00 0.00 C ATOM 1130 SG CYS A 76 -8.579 -2.073 -6.372 1.00 0.00 S ATOM 0 H CYS A 76 -7.464 -3.366 -3.484 1.00 0.00 H new ATOM 0 HA CYS A 76 -9.174 -4.691 -5.399 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -6.593 -3.110 -5.491 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -7.178 -3.955 -6.911 1.00 0.00 H new ATOM 1135 N LEU A 77 -6.167 -5.900 -4.714 1.00 0.00 N ATOM 1136 CA LEU A 77 -5.348 -7.105 -4.778 1.00 0.00 C ATOM 1137 C LEU A 77 -6.166 -8.339 -4.412 1.00 0.00 C ATOM 1138 O LEU A 77 -7.190 -8.257 -3.733 1.00 0.00 O ATOM 1139 CB LEU A 77 -4.146 -6.979 -3.841 1.00 0.00 C ATOM 1140 CG LEU A 77 -2.980 -6.134 -4.355 1.00 0.00 C ATOM 1141 CD1 LEU A 77 -1.977 -5.875 -3.242 1.00 0.00 C ATOM 1142 CD2 LEU A 77 -2.305 -6.818 -5.535 1.00 0.00 C ATOM 0 H LEU A 77 -5.717 -5.108 -4.255 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.992 -7.219 -5.802 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.489 -6.553 -2.898 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.774 -7.980 -3.623 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.373 -5.175 -4.693 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.154 -5.272 -3.627 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.467 -5.342 -2.427 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.589 -6.825 -2.873 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.478 -6.202 -5.888 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.926 -7.791 -5.223 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.027 -6.951 -6.340 1.00 0.00 H new ATOM 1154 N PRO A 78 -5.705 -9.513 -4.869 1.00 0.00 N ATOM 1155 CA PRO A 78 -6.377 -10.787 -4.599 1.00 0.00 C ATOM 1156 C PRO A 78 -6.267 -11.202 -3.135 1.00 0.00 C ATOM 1157 O PRO A 78 -6.680 -12.298 -2.759 1.00 0.00 O ATOM 1158 CB PRO A 78 -5.629 -11.779 -5.494 1.00 0.00 C ATOM 1159 CG PRO A 78 -4.281 -11.175 -5.685 1.00 0.00 C ATOM 1160 CD PRO A 78 -4.490 -9.686 -5.684 1.00 0.00 C ATOM 0 HA PRO A 78 -7.447 -10.734 -4.799 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -5.560 -12.761 -5.025 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -6.140 -11.916 -6.447 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -3.603 -11.474 -4.886 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -3.835 -11.506 -6.623 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -3.638 -9.161 -5.252 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -4.625 -9.298 -6.694 1.00 0.00 H new ATOM 1168 N ALA A 79 -5.706 -10.319 -2.315 1.00 0.00 N ATOM 1169 CA ALA A 79 -5.544 -10.593 -0.893 1.00 0.00 C ATOM 1170 C ALA A 79 -6.853 -10.378 -0.140 1.00 0.00 C ATOM 1171 O ALA A 79 -7.615 -9.462 -0.450 1.00 0.00 O ATOM 1172 CB ALA A 79 -4.446 -9.718 -0.308 1.00 0.00 C ATOM 0 H ALA A 79 -5.356 -9.408 -2.612 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.258 -11.639 -0.780 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.336 -9.934 0.755 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.506 -9.924 -0.819 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.708 -8.668 -0.440 1.00 0.00 H new ATOM 1178 N SER A 80 -7.107 -11.227 0.850 1.00 0.00 N ATOM 1179 CA SER A 80 -8.326 -11.132 1.645 1.00 0.00 C ATOM 1180 C SER A 80 -8.431 -9.766 2.317 1.00 0.00 C ATOM 1181 O SER A 80 -9.404 -9.039 2.123 1.00 0.00 O ATOM 1182 CB SER A 80 -8.359 -12.237 2.702 1.00 0.00 C ATOM 1183 OG SER A 80 -7.174 -12.234 3.480 1.00 0.00 O ATOM 0 H SER A 80 -6.485 -11.989 1.121 1.00 0.00 H new ATOM 0 HA SER A 80 -9.177 -11.255 0.975 1.00 0.00 H new ATOM 0 HB2 SER A 80 -9.224 -12.098 3.351 1.00 0.00 H new ATOM 0 HB3 SER A 80 -8.477 -13.206 2.216 1.00 0.00 H new ATOM 0 HG SER A 80 -7.220 -12.948 4.149 1.00 0.00 H new ATOM 1189 N GLY A 81 -7.420 -9.425 3.111 1.00 0.00 N ATOM 1190 CA GLY A 81 -7.417 -8.148 3.800 1.00 0.00 C ATOM 1191 C GLY A 81 -7.226 -8.298 5.297 1.00 0.00 C ATOM 1192 O GLY A 81 -8.160 -8.607 6.036 1.00 0.00 O ATOM 0 H GLY A 81 -6.604 -10.010 3.289 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -6.621 -7.522 3.396 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -8.357 -7.632 3.607 1.00 0.00 H new ATOM 1196 N PRO A 82 -5.988 -8.078 5.764 1.00 0.00 N ATOM 1197 CA PRO A 82 -5.647 -8.186 7.186 1.00 0.00 C ATOM 1198 C PRO A 82 -6.265 -7.066 8.016 1.00 0.00 C ATOM 1199 O PRO A 82 -6.592 -6.001 7.494 1.00 0.00 O ATOM 1200 CB PRO A 82 -4.120 -8.077 7.194 1.00 0.00 C ATOM 1201 CG PRO A 82 -3.788 -7.317 5.957 1.00 0.00 C ATOM 1202 CD PRO A 82 -4.825 -7.707 4.940 1.00 0.00 C ATOM 0 HA PRO A 82 -6.024 -9.109 7.627 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -3.765 -7.558 8.085 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.653 -9.062 7.191 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.807 -6.243 6.142 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.786 -7.562 5.606 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -5.057 -6.882 4.266 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -4.489 -8.539 4.322 1.00 0.00 H new ATOM 1210 N SER A 83 -6.422 -7.315 9.312 1.00 0.00 N ATOM 1211 CA SER A 83 -7.005 -6.329 10.215 1.00 0.00 C ATOM 1212 C SER A 83 -5.954 -5.789 11.181 1.00 0.00 C ATOM 1213 O SER A 83 -5.721 -6.362 12.245 1.00 0.00 O ATOM 1214 CB SER A 83 -8.165 -6.945 10.998 1.00 0.00 C ATOM 1215 OG SER A 83 -9.348 -6.975 10.219 1.00 0.00 O ATOM 0 H SER A 83 -6.154 -8.191 9.760 1.00 0.00 H new ATOM 0 HA SER A 83 -7.382 -5.501 9.614 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.903 -7.957 11.306 1.00 0.00 H new ATOM 0 HB3 SER A 83 -8.339 -6.370 11.908 1.00 0.00 H new ATOM 0 HG SER A 83 -10.074 -7.375 10.742 1.00 0.00 H new ATOM 1221 N SER A 84 -5.323 -4.682 10.801 1.00 0.00 N ATOM 1222 CA SER A 84 -4.295 -4.066 11.630 1.00 0.00 C ATOM 1223 C SER A 84 -4.037 -2.626 11.196 1.00 0.00 C ATOM 1224 O SER A 84 -4.146 -2.292 10.017 1.00 0.00 O ATOM 1225 CB SER A 84 -2.997 -4.873 11.555 1.00 0.00 C ATOM 1226 OG SER A 84 -3.087 -6.057 12.329 1.00 0.00 O ATOM 0 H SER A 84 -5.506 -4.194 9.924 1.00 0.00 H new ATOM 0 HA SER A 84 -4.651 -4.059 12.660 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.784 -5.129 10.517 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.166 -4.264 11.911 1.00 0.00 H new ATOM 0 HG SER A 84 -3.999 -6.153 12.676 1.00 0.00 H new ATOM 1232 N GLY A 85 -3.695 -1.776 12.160 1.00 0.00 N ATOM 1233 CA GLY A 85 -3.427 -0.382 11.858 1.00 0.00 C ATOM 1234 C GLY A 85 -2.607 0.297 12.937 1.00 0.00 C ATOM 1235 O GLY A 85 -2.814 1.483 13.189 1.00 0.00 O ATOM 0 H GLY A 85 -3.599 -2.028 13.144 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.898 -0.314 10.907 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.371 0.148 11.736 1.00 0.00 H new TER 1239 GLY A 85 HETATM 1240 ZN ZN A 201 5.401 3.810 3.057 1.00 0.00 ZN HETATM 1241 ZN ZN A 401 -7.564 0.005 -5.985 1.00 0.00 ZN