USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 477 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 38 TYR OH : rot -150:sc= 1.18 USER MOD Set 1.2: A 57 THR OG1 : rot 90:sc= 1.03 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0451 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 22 LYS NZ :NH3+ 162:sc= -0.022 (180deg=-0.233) USER MOD Single : A 25 MET CE :methyl -126:sc= -1.72 (180deg=-4.72!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -2.21 K(o=-2.2,f=-0.97) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 81:sc= 0.00386 USER MOD Single : A 53 HIS : no HD1:sc= -0.0096 X(o=-0.0096,f=-0.021) USER MOD Single : A 54 THR OG1 : rot 18:sc= 0.737 USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= -6.5! C(o=-6.5!,f=-16!) USER MOD Single : A 61 ASN : amide:sc= -0.769 K(o=-0.77,f=-0.19) USER MOD Single : A 64 SER OG : rot 170:sc= 0.314 USER MOD Single : A 69 SER OG : rot 180:sc=-0.00591 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.841 -31.386 4.580 1.00 0.00 N ATOM 2 CA GLY A 1 16.291 -31.326 4.616 1.00 0.00 C ATOM 3 C GLY A 1 16.904 -31.272 3.231 1.00 0.00 C ATOM 4 O GLY A 1 16.584 -30.387 2.437 1.00 0.00 O ATOM 0 H1 GLY A 1 14.471 -31.421 5.551 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.470 -30.542 4.099 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.542 -32.238 4.064 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.601 -30.447 5.182 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.675 -32.198 5.146 1.00 0.00 H new ATOM 8 N SER A 2 17.790 -32.219 2.941 1.00 0.00 N ATOM 9 CA SER A 2 18.454 -32.272 1.643 1.00 0.00 C ATOM 10 C SER A 2 17.950 -33.456 0.823 1.00 0.00 C ATOM 11 O SER A 2 17.544 -33.300 -0.329 1.00 0.00 O ATOM 12 CB SER A 2 19.970 -32.371 1.826 1.00 0.00 C ATOM 13 OG SER A 2 20.639 -32.306 0.578 1.00 0.00 O ATOM 0 H SER A 2 18.065 -32.960 3.586 1.00 0.00 H new ATOM 0 HA SER A 2 18.220 -31.354 1.104 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.315 -31.562 2.470 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.219 -33.306 2.327 1.00 0.00 H new ATOM 0 HG SER A 2 21.606 -32.370 0.722 1.00 0.00 H new ATOM 19 N SER A 3 17.980 -34.640 1.425 1.00 0.00 N ATOM 20 CA SER A 3 17.531 -35.853 0.750 1.00 0.00 C ATOM 21 C SER A 3 16.123 -35.674 0.194 1.00 0.00 C ATOM 22 O SER A 3 15.848 -36.017 -0.955 1.00 0.00 O ATOM 23 CB SER A 3 17.565 -37.040 1.714 1.00 0.00 C ATOM 24 OG SER A 3 16.690 -36.832 2.809 1.00 0.00 O ATOM 0 H SER A 3 18.310 -34.786 2.379 1.00 0.00 H new ATOM 0 HA SER A 3 18.208 -36.050 -0.081 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.281 -37.950 1.185 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.581 -37.187 2.079 1.00 0.00 H new ATOM 0 HG SER A 3 16.728 -37.605 3.410 1.00 0.00 H new ATOM 30 N GLY A 4 15.231 -35.133 1.019 1.00 0.00 N ATOM 31 CA GLY A 4 13.860 -34.918 0.592 1.00 0.00 C ATOM 32 C GLY A 4 12.932 -34.621 1.753 1.00 0.00 C ATOM 33 O GLY A 4 13.318 -34.753 2.915 1.00 0.00 O ATOM 0 H GLY A 4 15.433 -34.840 1.975 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.829 -34.089 -0.116 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.504 -35.802 0.063 1.00 0.00 H new ATOM 37 N SER A 5 11.706 -34.215 1.440 1.00 0.00 N ATOM 38 CA SER A 5 10.722 -33.892 2.466 1.00 0.00 C ATOM 39 C SER A 5 9.304 -34.137 1.954 1.00 0.00 C ATOM 40 O SER A 5 8.961 -33.752 0.837 1.00 0.00 O ATOM 41 CB SER A 5 10.872 -32.436 2.907 1.00 0.00 C ATOM 42 OG SER A 5 10.593 -31.548 1.839 1.00 0.00 O ATOM 0 H SER A 5 11.370 -34.102 0.483 1.00 0.00 H new ATOM 0 HA SER A 5 10.899 -34.543 3.322 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.197 -32.233 3.738 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.885 -32.265 3.270 1.00 0.00 H new ATOM 0 HG SER A 5 10.694 -30.623 2.147 1.00 0.00 H new ATOM 48 N SER A 6 8.487 -34.781 2.782 1.00 0.00 N ATOM 49 CA SER A 6 7.108 -35.081 2.414 1.00 0.00 C ATOM 50 C SER A 6 6.263 -33.811 2.394 1.00 0.00 C ATOM 51 O SER A 6 6.571 -32.836 3.076 1.00 0.00 O ATOM 52 CB SER A 6 6.506 -36.092 3.391 1.00 0.00 C ATOM 53 OG SER A 6 6.956 -37.406 3.107 1.00 0.00 O ATOM 0 H SER A 6 8.756 -35.105 3.711 1.00 0.00 H new ATOM 0 HA SER A 6 7.110 -35.511 1.412 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.779 -35.823 4.411 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.418 -36.056 3.332 1.00 0.00 H new ATOM 0 HG SER A 6 6.558 -38.033 3.746 1.00 0.00 H new ATOM 59 N GLY A 7 5.193 -33.833 1.604 1.00 0.00 N ATOM 60 CA GLY A 7 4.319 -32.677 1.508 1.00 0.00 C ATOM 61 C GLY A 7 5.025 -31.461 0.943 1.00 0.00 C ATOM 62 O GLY A 7 5.565 -30.647 1.689 1.00 0.00 O ATOM 0 H GLY A 7 4.916 -34.629 1.030 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.465 -32.923 0.877 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.927 -32.439 2.497 1.00 0.00 H new ATOM 66 N GLU A 8 5.022 -31.339 -0.381 1.00 0.00 N ATOM 67 CA GLU A 8 5.670 -30.214 -1.046 1.00 0.00 C ATOM 68 C GLU A 8 4.732 -29.013 -1.119 1.00 0.00 C ATOM 69 O GLU A 8 3.987 -28.850 -2.085 1.00 0.00 O ATOM 70 CB GLU A 8 6.116 -30.613 -2.454 1.00 0.00 C ATOM 71 CG GLU A 8 7.220 -31.656 -2.470 1.00 0.00 C ATOM 72 CD GLU A 8 7.587 -32.097 -3.875 1.00 0.00 C ATOM 73 OE1 GLU A 8 6.701 -32.072 -4.754 1.00 0.00 O ATOM 74 OE2 GLU A 8 8.759 -32.466 -4.093 1.00 0.00 O ATOM 0 H GLU A 8 4.578 -32.005 -1.014 1.00 0.00 H new ATOM 0 HA GLU A 8 6.546 -29.934 -0.461 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.256 -30.998 -3.003 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.460 -29.724 -2.983 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.104 -31.251 -1.978 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.903 -32.524 -1.892 1.00 0.00 H new ATOM 81 N ASP A 9 4.775 -28.173 -0.089 1.00 0.00 N ATOM 82 CA ASP A 9 3.930 -26.986 -0.035 1.00 0.00 C ATOM 83 C ASP A 9 4.663 -25.772 -0.597 1.00 0.00 C ATOM 84 O ASP A 9 5.890 -25.769 -0.702 1.00 0.00 O ATOM 85 CB ASP A 9 3.491 -26.711 1.404 1.00 0.00 C ATOM 86 CG ASP A 9 4.667 -26.564 2.350 1.00 0.00 C ATOM 87 OD1 ASP A 9 5.324 -27.585 2.642 1.00 0.00 O ATOM 88 OD2 ASP A 9 4.929 -25.429 2.800 1.00 0.00 O ATOM 0 H ASP A 9 5.386 -28.293 0.719 1.00 0.00 H new ATOM 0 HA ASP A 9 3.047 -27.171 -0.647 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.891 -25.801 1.430 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.852 -27.524 1.747 1.00 0.00 H new ATOM 93 N ASP A 10 3.904 -24.743 -0.956 1.00 0.00 N ATOM 94 CA ASP A 10 4.481 -23.522 -1.508 1.00 0.00 C ATOM 95 C ASP A 10 3.994 -22.297 -0.741 1.00 0.00 C ATOM 96 O ASP A 10 2.801 -22.121 -0.496 1.00 0.00 O ATOM 97 CB ASP A 10 4.124 -23.388 -2.990 1.00 0.00 C ATOM 98 CG ASP A 10 2.679 -22.981 -3.202 1.00 0.00 C ATOM 99 OD1 ASP A 10 1.798 -23.864 -3.132 1.00 0.00 O ATOM 100 OD2 ASP A 10 2.430 -21.781 -3.437 1.00 0.00 O ATOM 0 H ASP A 10 2.887 -24.729 -0.875 1.00 0.00 H new ATOM 0 HA ASP A 10 5.565 -23.584 -1.408 1.00 0.00 H new ATOM 0 HB2 ASP A 10 4.778 -22.649 -3.453 1.00 0.00 H new ATOM 0 HB3 ASP A 10 4.309 -24.337 -3.493 1.00 0.00 H new ATOM 105 N PRO A 11 4.940 -21.428 -0.352 1.00 0.00 N ATOM 106 CA PRO A 11 4.631 -20.204 0.392 1.00 0.00 C ATOM 107 C PRO A 11 3.899 -19.175 -0.461 1.00 0.00 C ATOM 108 O PRO A 11 3.883 -19.271 -1.689 1.00 0.00 O ATOM 109 CB PRO A 11 6.011 -19.678 0.798 1.00 0.00 C ATOM 110 CG PRO A 11 6.943 -20.233 -0.223 1.00 0.00 C ATOM 111 CD PRO A 11 6.382 -21.574 -0.610 1.00 0.00 C ATOM 0 HA PRO A 11 3.967 -20.397 1.235 1.00 0.00 H new ATOM 0 HB2 PRO A 11 6.033 -18.588 0.804 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.281 -20.008 1.801 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.011 -19.574 -1.088 1.00 0.00 H new ATOM 0 HG3 PRO A 11 7.950 -20.333 0.181 1.00 0.00 H new ATOM 0 HD2 PRO A 11 6.582 -21.806 -1.656 1.00 0.00 H new ATOM 0 HD3 PRO A 11 6.817 -22.378 -0.016 1.00 0.00 H new ATOM 119 N ILE A 12 3.293 -18.191 0.196 1.00 0.00 N ATOM 120 CA ILE A 12 2.560 -17.144 -0.504 1.00 0.00 C ATOM 121 C ILE A 12 3.365 -16.603 -1.681 1.00 0.00 C ATOM 122 O ILE A 12 4.519 -16.199 -1.542 1.00 0.00 O ATOM 123 CB ILE A 12 2.203 -15.980 0.440 1.00 0.00 C ATOM 124 CG1 ILE A 12 1.395 -16.491 1.634 1.00 0.00 C ATOM 125 CG2 ILE A 12 1.428 -14.908 -0.312 1.00 0.00 C ATOM 126 CD1 ILE A 12 0.028 -17.016 1.259 1.00 0.00 C ATOM 0 H ILE A 12 3.296 -18.097 1.212 1.00 0.00 H new ATOM 0 HA ILE A 12 1.639 -17.595 -0.874 1.00 0.00 H new ATOM 0 HB ILE A 12 3.127 -15.539 0.814 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.956 -17.283 2.129 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.279 -15.683 2.356 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.183 -14.092 0.368 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.037 -14.527 -1.132 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.509 -15.336 -0.711 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.488 -17.361 2.155 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.551 -16.220 0.791 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.136 -17.846 0.560 1.00 0.00 H new ATOM 138 N PRO A 13 2.740 -16.590 -2.868 1.00 0.00 N ATOM 139 CA PRO A 13 3.378 -16.098 -4.092 1.00 0.00 C ATOM 140 C PRO A 13 3.582 -14.587 -4.073 1.00 0.00 C ATOM 141 O PRO A 13 3.067 -13.893 -3.196 1.00 0.00 O ATOM 142 CB PRO A 13 2.387 -16.490 -5.191 1.00 0.00 C ATOM 143 CG PRO A 13 1.070 -16.575 -4.501 1.00 0.00 C ATOM 144 CD PRO A 13 1.363 -17.055 -3.106 1.00 0.00 C ATOM 0 HA PRO A 13 4.375 -16.517 -4.228 1.00 0.00 H new ATOM 0 HB2 PRO A 13 2.368 -15.749 -5.990 1.00 0.00 H new ATOM 0 HB3 PRO A 13 2.657 -17.443 -5.646 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.575 -15.604 -4.484 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.402 -17.264 -5.018 1.00 0.00 H new ATOM 0 HD2 PRO A 13 0.666 -16.634 -2.381 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.286 -18.140 -3.030 1.00 0.00 H new ATOM 152 N ASP A 14 4.335 -14.083 -5.045 1.00 0.00 N ATOM 153 CA ASP A 14 4.606 -12.654 -5.139 1.00 0.00 C ATOM 154 C ASP A 14 3.335 -11.882 -5.481 1.00 0.00 C ATOM 155 O ASP A 14 3.074 -10.818 -4.922 1.00 0.00 O ATOM 156 CB ASP A 14 5.680 -12.385 -6.195 1.00 0.00 C ATOM 157 CG ASP A 14 6.102 -10.930 -6.234 1.00 0.00 C ATOM 158 OD1 ASP A 14 6.285 -10.336 -5.150 1.00 0.00 O ATOM 159 OD2 ASP A 14 6.248 -10.383 -7.348 1.00 0.00 O ATOM 0 H ASP A 14 4.768 -14.643 -5.779 1.00 0.00 H new ATOM 0 HA ASP A 14 4.968 -12.313 -4.169 1.00 0.00 H new ATOM 0 HB2 ASP A 14 6.551 -13.007 -5.990 1.00 0.00 H new ATOM 0 HB3 ASP A 14 5.303 -12.677 -7.175 1.00 0.00 H new ATOM 164 N GLU A 15 2.547 -12.427 -6.403 1.00 0.00 N ATOM 165 CA GLU A 15 1.305 -11.788 -6.820 1.00 0.00 C ATOM 166 C GLU A 15 0.495 -11.331 -5.610 1.00 0.00 C ATOM 167 O GLU A 15 -0.354 -10.445 -5.715 1.00 0.00 O ATOM 168 CB GLU A 15 0.472 -12.748 -7.672 1.00 0.00 C ATOM 169 CG GLU A 15 0.065 -14.015 -6.939 1.00 0.00 C ATOM 170 CD GLU A 15 -0.562 -15.045 -7.858 1.00 0.00 C ATOM 171 OE1 GLU A 15 -1.209 -14.644 -8.847 1.00 0.00 O ATOM 172 OE2 GLU A 15 -0.404 -16.255 -7.587 1.00 0.00 O ATOM 0 H GLU A 15 2.747 -13.309 -6.875 1.00 0.00 H new ATOM 0 HA GLU A 15 1.560 -10.912 -7.417 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.425 -12.232 -8.014 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.042 -13.019 -8.561 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.941 -14.449 -6.457 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.641 -13.762 -6.148 1.00 0.00 H new ATOM 179 N LEU A 16 0.764 -11.942 -4.462 1.00 0.00 N ATOM 180 CA LEU A 16 0.061 -11.599 -3.230 1.00 0.00 C ATOM 181 C LEU A 16 0.976 -10.843 -2.273 1.00 0.00 C ATOM 182 O LEU A 16 0.859 -10.972 -1.053 1.00 0.00 O ATOM 183 CB LEU A 16 -0.469 -12.865 -2.554 1.00 0.00 C ATOM 184 CG LEU A 16 -1.620 -13.576 -3.268 1.00 0.00 C ATOM 185 CD1 LEU A 16 -1.684 -15.038 -2.850 1.00 0.00 C ATOM 186 CD2 LEU A 16 -2.940 -12.878 -2.979 1.00 0.00 C ATOM 0 H LEU A 16 1.463 -12.677 -4.358 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.778 -10.952 -3.487 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.356 -13.569 -2.448 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.797 -12.605 -1.548 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.438 -13.533 -4.342 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.508 -15.529 -3.367 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.748 -15.532 -3.109 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.842 -15.102 -1.773 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.747 -13.398 -3.495 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.130 -12.888 -1.906 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.890 -11.847 -3.329 1.00 0.00 H new ATOM 198 N LEU A 17 1.885 -10.052 -2.833 1.00 0.00 N ATOM 199 CA LEU A 17 2.819 -9.272 -2.028 1.00 0.00 C ATOM 200 C LEU A 17 2.936 -7.847 -2.560 1.00 0.00 C ATOM 201 O LEU A 17 2.920 -7.620 -3.770 1.00 0.00 O ATOM 202 CB LEU A 17 4.195 -9.940 -2.019 1.00 0.00 C ATOM 203 CG LEU A 17 4.249 -11.358 -1.451 1.00 0.00 C ATOM 204 CD1 LEU A 17 5.635 -11.956 -1.641 1.00 0.00 C ATOM 205 CD2 LEU A 17 3.864 -11.358 0.021 1.00 0.00 C ATOM 0 H LEU A 17 1.995 -9.934 -3.840 1.00 0.00 H new ATOM 0 HA LEU A 17 2.436 -9.230 -1.008 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.571 -9.965 -3.042 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.877 -9.314 -1.444 1.00 0.00 H new ATOM 0 HG LEU A 17 3.532 -11.974 -1.994 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.655 -12.966 -1.231 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.873 -11.991 -2.704 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.371 -11.340 -1.125 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.908 -12.376 0.409 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.557 -10.727 0.578 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.851 -10.971 0.132 1.00 0.00 H new ATOM 217 N CYS A 18 3.056 -6.889 -1.647 1.00 0.00 N ATOM 218 CA CYS A 18 3.177 -5.486 -2.022 1.00 0.00 C ATOM 219 C CYS A 18 4.558 -5.195 -2.605 1.00 0.00 C ATOM 220 O CYS A 18 5.361 -6.107 -2.811 1.00 0.00 O ATOM 221 CB CYS A 18 2.926 -4.588 -0.808 1.00 0.00 C ATOM 222 SG CYS A 18 4.289 -4.570 0.399 1.00 0.00 S ATOM 0 H CYS A 18 3.072 -7.059 -0.641 1.00 0.00 H new ATOM 0 HA CYS A 18 2.427 -5.274 -2.784 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.748 -3.570 -1.154 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.016 -4.918 -0.307 1.00 0.00 H new ATOM 227 N LEU A 19 4.827 -3.922 -2.868 1.00 0.00 N ATOM 228 CA LEU A 19 6.111 -3.511 -3.426 1.00 0.00 C ATOM 229 C LEU A 19 6.986 -2.862 -2.360 1.00 0.00 C ATOM 230 O LEU A 19 8.208 -2.795 -2.501 1.00 0.00 O ATOM 231 CB LEU A 19 5.896 -2.538 -4.587 1.00 0.00 C ATOM 232 CG LEU A 19 5.057 -3.060 -5.754 1.00 0.00 C ATOM 233 CD1 LEU A 19 4.907 -1.990 -6.824 1.00 0.00 C ATOM 234 CD2 LEU A 19 5.683 -4.318 -6.340 1.00 0.00 C ATOM 0 H LEU A 19 4.174 -3.156 -2.704 1.00 0.00 H new ATOM 0 HA LEU A 19 6.621 -4.401 -3.795 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.420 -1.638 -4.197 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.872 -2.241 -4.971 1.00 0.00 H new ATOM 0 HG LEU A 19 4.065 -3.312 -5.379 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.307 -2.380 -7.646 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.415 -1.116 -6.398 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.892 -1.707 -7.196 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.073 -4.676 -7.169 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.687 -4.091 -6.699 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.738 -5.089 -5.571 1.00 0.00 H new ATOM 246 N ILE A 20 6.355 -2.388 -1.291 1.00 0.00 N ATOM 247 CA ILE A 20 7.077 -1.748 -0.199 1.00 0.00 C ATOM 248 C ILE A 20 7.849 -2.773 0.625 1.00 0.00 C ATOM 249 O ILE A 20 9.070 -2.884 0.511 1.00 0.00 O ATOM 250 CB ILE A 20 6.123 -0.974 0.730 1.00 0.00 C ATOM 251 CG1 ILE A 20 5.587 0.273 0.023 1.00 0.00 C ATOM 252 CG2 ILE A 20 6.832 -0.593 2.021 1.00 0.00 C ATOM 253 CD1 ILE A 20 4.440 0.936 0.753 1.00 0.00 C ATOM 0 H ILE A 20 5.345 -2.435 -1.158 1.00 0.00 H new ATOM 0 HA ILE A 20 7.778 -1.047 -0.653 1.00 0.00 H new ATOM 0 HB ILE A 20 5.280 -1.619 0.978 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.398 0.992 -0.092 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.259 -0.001 -0.980 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.144 -0.047 2.666 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.169 -1.495 2.531 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.692 0.037 1.792 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.111 1.812 0.195 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.612 0.233 0.845 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.769 1.241 1.746 1.00 0.00 H new ATOM 265 N CYS A 21 7.129 -3.521 1.454 1.00 0.00 N ATOM 266 CA CYS A 21 7.745 -4.539 2.297 1.00 0.00 C ATOM 267 C CYS A 21 7.567 -5.928 1.690 1.00 0.00 C ATOM 268 O CYS A 21 7.874 -6.938 2.323 1.00 0.00 O ATOM 269 CB CYS A 21 7.139 -4.503 3.701 1.00 0.00 C ATOM 270 SG CYS A 21 5.377 -4.958 3.763 1.00 0.00 S ATOM 0 H CYS A 21 6.118 -3.441 1.560 1.00 0.00 H new ATOM 0 HA CYS A 21 8.812 -4.324 2.363 1.00 0.00 H new ATOM 0 HB2 CYS A 21 7.701 -5.180 4.345 1.00 0.00 H new ATOM 0 HB3 CYS A 21 7.259 -3.500 4.111 1.00 0.00 H new ATOM 275 N LYS A 22 7.072 -5.970 0.458 1.00 0.00 N ATOM 276 CA LYS A 22 6.854 -7.233 -0.237 1.00 0.00 C ATOM 277 C LYS A 22 6.381 -8.312 0.732 1.00 0.00 C ATOM 278 O LYS A 22 6.983 -9.382 0.826 1.00 0.00 O ATOM 279 CB LYS A 22 8.142 -7.685 -0.931 1.00 0.00 C ATOM 280 CG LYS A 22 8.239 -7.242 -2.380 1.00 0.00 C ATOM 281 CD LYS A 22 8.572 -5.764 -2.491 1.00 0.00 C ATOM 282 CE LYS A 22 10.058 -5.510 -2.294 1.00 0.00 C ATOM 283 NZ LYS A 22 10.864 -6.019 -3.438 1.00 0.00 N ATOM 0 H LYS A 22 6.814 -5.143 -0.080 1.00 0.00 H new ATOM 0 HA LYS A 22 6.079 -7.078 -0.987 1.00 0.00 H new ATOM 0 HB2 LYS A 22 8.998 -7.293 -0.382 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.206 -8.772 -0.887 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.004 -7.827 -2.890 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.295 -7.442 -2.886 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.265 -5.394 -3.469 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.005 -5.205 -1.746 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.231 -4.440 -2.175 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.390 -5.991 -1.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.804 -5.574 -3.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.968 -7.051 -3.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.383 -5.788 -4.331 1.00 0.00 H new ATOM 297 N ASP A 23 5.300 -8.025 1.447 1.00 0.00 N ATOM 298 CA ASP A 23 4.744 -8.972 2.406 1.00 0.00 C ATOM 299 C ASP A 23 3.232 -9.091 2.238 1.00 0.00 C ATOM 300 O ASP A 23 2.562 -8.131 1.859 1.00 0.00 O ATOM 301 CB ASP A 23 5.078 -8.539 3.835 1.00 0.00 C ATOM 302 CG ASP A 23 4.252 -9.277 4.871 1.00 0.00 C ATOM 303 OD1 ASP A 23 3.092 -8.876 5.101 1.00 0.00 O ATOM 304 OD2 ASP A 23 4.767 -10.256 5.452 1.00 0.00 O ATOM 0 H ASP A 23 4.791 -7.144 1.381 1.00 0.00 H new ATOM 0 HA ASP A 23 5.191 -9.948 2.216 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.137 -8.714 4.027 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.909 -7.467 3.936 1.00 0.00 H new ATOM 309 N ILE A 24 2.703 -10.277 2.522 1.00 0.00 N ATOM 310 CA ILE A 24 1.271 -10.522 2.402 1.00 0.00 C ATOM 311 C ILE A 24 0.468 -9.288 2.802 1.00 0.00 C ATOM 312 O ILE A 24 0.665 -8.728 3.879 1.00 0.00 O ATOM 313 CB ILE A 24 0.828 -11.713 3.273 1.00 0.00 C ATOM 314 CG1 ILE A 24 1.612 -12.970 2.891 1.00 0.00 C ATOM 315 CG2 ILE A 24 -0.668 -11.949 3.126 1.00 0.00 C ATOM 316 CD1 ILE A 24 2.888 -13.150 3.683 1.00 0.00 C ATOM 0 H ILE A 24 3.244 -11.082 2.836 1.00 0.00 H new ATOM 0 HA ILE A 24 1.077 -10.756 1.355 1.00 0.00 H new ATOM 0 HB ILE A 24 1.038 -11.480 4.317 1.00 0.00 H new ATOM 0 HG12 ILE A 24 0.977 -13.843 3.038 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.856 -12.928 1.829 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -0.966 -12.794 3.747 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.210 -11.057 3.442 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -0.902 -12.165 2.084 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.392 -14.061 3.359 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.543 -12.295 3.517 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.650 -13.224 4.744 1.00 0.00 H new ATOM 328 N MET A 25 -0.442 -8.872 1.925 1.00 0.00 N ATOM 329 CA MET A 25 -1.278 -7.707 2.189 1.00 0.00 C ATOM 330 C MET A 25 -2.603 -8.120 2.821 1.00 0.00 C ATOM 331 O MET A 25 -3.566 -8.435 2.122 1.00 0.00 O ATOM 332 CB MET A 25 -1.537 -6.935 0.892 1.00 0.00 C ATOM 333 CG MET A 25 -0.267 -6.552 0.149 1.00 0.00 C ATOM 334 SD MET A 25 0.268 -7.824 -1.012 1.00 0.00 S ATOM 335 CE MET A 25 -0.524 -7.263 -2.517 1.00 0.00 C ATOM 0 H MET A 25 -0.618 -9.324 1.028 1.00 0.00 H new ATOM 0 HA MET A 25 -0.748 -7.061 2.889 1.00 0.00 H new ATOM 0 HB2 MET A 25 -2.163 -7.541 0.237 1.00 0.00 H new ATOM 0 HB3 MET A 25 -2.100 -6.031 1.123 1.00 0.00 H new ATOM 0 HG2 MET A 25 -0.433 -5.620 -0.391 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.529 -6.365 0.870 1.00 0.00 H new ATOM 0 HE1 MET A 25 -1.124 -8.071 -2.936 1.00 0.00 H new ATOM 0 HE2 MET A 25 -1.167 -6.412 -2.294 1.00 0.00 H new ATOM 0 HE3 MET A 25 0.236 -6.964 -3.239 1.00 0.00 H new ATOM 345 N THR A 26 -2.645 -8.116 4.150 1.00 0.00 N ATOM 346 CA THR A 26 -3.851 -8.492 4.877 1.00 0.00 C ATOM 347 C THR A 26 -5.081 -7.802 4.297 1.00 0.00 C ATOM 348 O THR A 26 -6.137 -8.416 4.148 1.00 0.00 O ATOM 349 CB THR A 26 -3.737 -8.141 6.372 1.00 0.00 C ATOM 350 OG1 THR A 26 -4.925 -8.548 7.063 1.00 0.00 O ATOM 351 CG2 THR A 26 -3.520 -6.649 6.564 1.00 0.00 C ATOM 0 H THR A 26 -1.858 -7.857 4.744 1.00 0.00 H new ATOM 0 HA THR A 26 -3.960 -9.571 4.772 1.00 0.00 H new ATOM 0 HB THR A 26 -2.878 -8.672 6.782 1.00 0.00 H new ATOM 0 HG1 THR A 26 -4.844 -8.323 8.013 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.443 -6.427 7.628 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.600 -6.348 6.063 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.361 -6.101 6.139 1.00 0.00 H new ATOM 359 N ASP A 27 -4.936 -6.522 3.971 1.00 0.00 N ATOM 360 CA ASP A 27 -6.035 -5.749 3.405 1.00 0.00 C ATOM 361 C ASP A 27 -5.569 -4.949 2.192 1.00 0.00 C ATOM 362 O ASP A 27 -5.794 -3.742 2.108 1.00 0.00 O ATOM 363 CB ASP A 27 -6.619 -4.806 4.458 1.00 0.00 C ATOM 364 CG ASP A 27 -7.492 -5.531 5.464 1.00 0.00 C ATOM 365 OD1 ASP A 27 -8.684 -5.747 5.165 1.00 0.00 O ATOM 366 OD2 ASP A 27 -6.981 -5.881 6.548 1.00 0.00 O ATOM 0 H ASP A 27 -4.069 -5.998 4.089 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.808 -6.446 3.083 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.806 -4.303 4.982 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.206 -4.032 3.963 1.00 0.00 H new ATOM 371 N ALA A 28 -4.916 -5.630 1.255 1.00 0.00 N ATOM 372 CA ALA A 28 -4.418 -4.984 0.048 1.00 0.00 C ATOM 373 C ALA A 28 -5.390 -3.917 -0.444 1.00 0.00 C ATOM 374 O ALA A 28 -6.597 -4.150 -0.518 1.00 0.00 O ATOM 375 CB ALA A 28 -4.171 -6.018 -1.041 1.00 0.00 C ATOM 0 H ALA A 28 -4.720 -6.629 1.310 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.474 -4.495 0.290 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.799 -5.521 -1.937 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.433 -6.742 -0.695 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.104 -6.533 -1.272 1.00 0.00 H new ATOM 381 N VAL A 29 -4.857 -2.747 -0.780 1.00 0.00 N ATOM 382 CA VAL A 29 -5.679 -1.645 -1.267 1.00 0.00 C ATOM 383 C VAL A 29 -5.069 -1.014 -2.514 1.00 0.00 C ATOM 384 O VAL A 29 -3.896 -0.642 -2.524 1.00 0.00 O ATOM 385 CB VAL A 29 -5.855 -0.559 -0.189 1.00 0.00 C ATOM 386 CG1 VAL A 29 -6.839 -1.018 0.877 1.00 0.00 C ATOM 387 CG2 VAL A 29 -4.512 -0.201 0.432 1.00 0.00 C ATOM 0 H VAL A 29 -3.860 -2.537 -0.724 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.655 -2.062 -1.515 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.260 0.335 -0.663 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.950 -0.238 1.630 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.806 -1.219 0.417 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.466 -1.927 1.349 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.656 0.568 1.191 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.076 -1.088 0.891 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.842 0.174 -0.342 1.00 0.00 H new ATOM 397 N VAL A 30 -5.875 -0.896 -3.565 1.00 0.00 N ATOM 398 CA VAL A 30 -5.417 -0.308 -4.817 1.00 0.00 C ATOM 399 C VAL A 30 -5.602 1.207 -4.814 1.00 0.00 C ATOM 400 O VAL A 30 -6.697 1.707 -4.559 1.00 0.00 O ATOM 401 CB VAL A 30 -6.166 -0.903 -6.024 1.00 0.00 C ATOM 402 CG1 VAL A 30 -5.732 -0.220 -7.312 1.00 0.00 C ATOM 403 CG2 VAL A 30 -5.938 -2.405 -6.104 1.00 0.00 C ATOM 0 H VAL A 30 -6.849 -1.200 -3.573 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.356 -0.541 -4.906 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.233 -0.727 -5.890 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.272 -0.654 -8.154 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.952 0.846 -7.250 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.661 -0.362 -7.456 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.474 -2.809 -6.962 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.872 -2.606 -6.214 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.304 -2.878 -5.192 1.00 0.00 H new ATOM 413 N ILE A 31 -4.524 1.929 -5.101 1.00 0.00 N ATOM 414 CA ILE A 31 -4.568 3.386 -5.132 1.00 0.00 C ATOM 415 C ILE A 31 -5.097 3.889 -6.470 1.00 0.00 C ATOM 416 O ILE A 31 -4.735 3.392 -7.537 1.00 0.00 O ATOM 417 CB ILE A 31 -3.177 3.996 -4.880 1.00 0.00 C ATOM 418 CG1 ILE A 31 -3.311 5.361 -4.202 1.00 0.00 C ATOM 419 CG2 ILE A 31 -2.409 4.123 -6.188 1.00 0.00 C ATOM 420 CD1 ILE A 31 -2.006 5.893 -3.651 1.00 0.00 C ATOM 0 H ILE A 31 -3.610 1.529 -5.315 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.242 3.700 -4.335 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.621 3.333 -4.217 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.711 6.077 -4.920 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.035 5.285 -3.390 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.428 4.556 -5.993 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.288 3.137 -6.636 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.960 4.768 -6.873 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.177 6.863 -3.185 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.614 5.198 -2.909 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.286 6.002 -4.462 1.00 0.00 H new ATOM 432 N PRO A 32 -5.976 4.902 -6.416 1.00 0.00 N ATOM 433 CA PRO A 32 -6.573 5.498 -7.615 1.00 0.00 C ATOM 434 C PRO A 32 -5.559 6.292 -8.433 1.00 0.00 C ATOM 435 O PRO A 32 -5.416 6.079 -9.637 1.00 0.00 O ATOM 436 CB PRO A 32 -7.648 6.429 -7.050 1.00 0.00 C ATOM 437 CG PRO A 32 -7.178 6.764 -5.676 1.00 0.00 C ATOM 438 CD PRO A 32 -6.453 5.544 -5.179 1.00 0.00 C ATOM 0 HA PRO A 32 -6.960 4.741 -8.297 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -7.756 7.325 -7.661 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.622 5.940 -7.027 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.518 7.632 -5.690 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.017 7.012 -5.026 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.627 5.809 -4.519 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.114 4.886 -4.614 1.00 0.00 H new ATOM 446 N CYS A 33 -4.858 7.207 -7.773 1.00 0.00 N ATOM 447 CA CYS A 33 -3.858 8.032 -8.439 1.00 0.00 C ATOM 448 C CYS A 33 -3.236 7.289 -9.618 1.00 0.00 C ATOM 449 O CYS A 33 -3.205 7.796 -10.739 1.00 0.00 O ATOM 450 CB CYS A 33 -2.767 8.445 -7.449 1.00 0.00 C ATOM 451 SG CYS A 33 -2.007 7.052 -6.555 1.00 0.00 S ATOM 0 H CYS A 33 -4.964 7.396 -6.776 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.354 8.926 -8.817 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.988 8.985 -7.988 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.193 9.139 -6.724 1.00 0.00 H new ATOM 456 N CYS A 34 -2.741 6.084 -9.355 1.00 0.00 N ATOM 457 CA CYS A 34 -2.121 5.270 -10.392 1.00 0.00 C ATOM 458 C CYS A 34 -2.608 3.825 -10.315 1.00 0.00 C ATOM 459 O CYS A 34 -3.148 3.288 -11.281 1.00 0.00 O ATOM 460 CB CYS A 34 -0.597 5.313 -10.259 1.00 0.00 C ATOM 461 SG CYS A 34 0.013 4.977 -8.577 1.00 0.00 S ATOM 0 H CYS A 34 -2.758 5.650 -8.432 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.408 5.680 -11.360 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.163 4.584 -10.944 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.243 6.295 -10.573 1.00 0.00 H new ATOM 466 N GLY A 35 -2.415 3.202 -9.157 1.00 0.00 N ATOM 467 CA GLY A 35 -2.839 1.827 -8.974 1.00 0.00 C ATOM 468 C GLY A 35 -1.683 0.901 -8.650 1.00 0.00 C ATOM 469 O GLY A 35 -0.932 0.502 -9.540 1.00 0.00 O ATOM 0 H GLY A 35 -1.972 3.626 -8.342 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.574 1.781 -8.170 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.336 1.480 -9.880 1.00 0.00 H new ATOM 473 N ASN A 36 -1.540 0.558 -7.375 1.00 0.00 N ATOM 474 CA ASN A 36 -0.466 -0.325 -6.936 1.00 0.00 C ATOM 475 C ASN A 36 -0.869 -1.088 -5.677 1.00 0.00 C ATOM 476 O ASN A 36 -1.818 -0.713 -4.989 1.00 0.00 O ATOM 477 CB ASN A 36 0.808 0.479 -6.672 1.00 0.00 C ATOM 478 CG ASN A 36 1.627 0.694 -7.931 1.00 0.00 C ATOM 479 OD1 ASN A 36 2.564 -0.055 -8.211 1.00 0.00 O ATOM 480 ND2 ASN A 36 1.276 1.721 -8.696 1.00 0.00 N ATOM 0 H ASN A 36 -2.155 0.878 -6.627 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.275 -1.046 -7.731 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.542 1.446 -6.245 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.415 -0.041 -5.931 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.790 1.916 -9.555 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.493 2.315 -8.424 1.00 0.00 H new ATOM 487 N SER A 37 -0.140 -2.160 -5.383 1.00 0.00 N ATOM 488 CA SER A 37 -0.423 -2.978 -4.209 1.00 0.00 C ATOM 489 C SER A 37 0.396 -2.509 -3.011 1.00 0.00 C ATOM 490 O SER A 37 1.626 -2.482 -3.055 1.00 0.00 O ATOM 491 CB SER A 37 -0.122 -4.448 -4.502 1.00 0.00 C ATOM 492 OG SER A 37 -0.801 -4.886 -5.666 1.00 0.00 O ATOM 0 H SER A 37 0.651 -2.482 -5.941 1.00 0.00 H new ATOM 0 HA SER A 37 -1.481 -2.872 -3.968 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.952 -4.584 -4.631 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.421 -5.060 -3.651 1.00 0.00 H new ATOM 0 HG SER A 37 -0.590 -5.829 -5.832 1.00 0.00 H new ATOM 498 N TYR A 38 -0.297 -2.138 -1.939 1.00 0.00 N ATOM 499 CA TYR A 38 0.364 -1.667 -0.728 1.00 0.00 C ATOM 500 C TYR A 38 -0.432 -2.057 0.515 1.00 0.00 C ATOM 501 O TYR A 38 -1.623 -1.767 0.619 1.00 0.00 O ATOM 502 CB TYR A 38 0.542 -0.148 -0.777 1.00 0.00 C ATOM 503 CG TYR A 38 1.368 0.327 -1.950 1.00 0.00 C ATOM 504 CD1 TYR A 38 2.663 -0.137 -2.148 1.00 0.00 C ATOM 505 CD2 TYR A 38 0.853 1.240 -2.863 1.00 0.00 C ATOM 506 CE1 TYR A 38 3.421 0.294 -3.219 1.00 0.00 C ATOM 507 CE2 TYR A 38 1.604 1.676 -3.938 1.00 0.00 C ATOM 508 CZ TYR A 38 2.887 1.201 -4.111 1.00 0.00 C ATOM 509 OH TYR A 38 3.638 1.634 -5.180 1.00 0.00 O ATOM 0 H TYR A 38 -1.315 -2.155 -1.885 1.00 0.00 H new ATOM 0 HA TYR A 38 1.344 -2.140 -0.673 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.440 0.323 -0.820 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.014 0.184 0.147 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.084 -0.847 -1.452 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.151 1.615 -2.730 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.426 -0.077 -3.357 1.00 0.00 H new ATOM 0 HE2 TYR A 38 1.188 2.385 -4.639 1.00 0.00 H new ATOM 0 HH TYR A 38 3.372 2.547 -5.418 1.00 0.00 H new ATOM 519 N CYS A 39 0.237 -2.716 1.454 1.00 0.00 N ATOM 520 CA CYS A 39 -0.404 -3.147 2.691 1.00 0.00 C ATOM 521 C CYS A 39 -1.227 -2.015 3.300 1.00 0.00 C ATOM 522 O CYS A 39 -0.776 -0.871 3.363 1.00 0.00 O ATOM 523 CB CYS A 39 0.646 -3.626 3.695 1.00 0.00 C ATOM 524 SG CYS A 39 1.855 -4.801 3.003 1.00 0.00 S ATOM 0 H CYS A 39 1.224 -2.964 1.382 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.074 -3.974 2.455 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.180 -2.760 4.087 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.139 -4.096 4.538 1.00 0.00 H new ATOM 529 N ASP A 40 -2.435 -2.343 3.746 1.00 0.00 N ATOM 530 CA ASP A 40 -3.320 -1.355 4.351 1.00 0.00 C ATOM 531 C ASP A 40 -2.520 -0.304 5.115 1.00 0.00 C ATOM 532 O ASP A 40 -2.873 0.875 5.118 1.00 0.00 O ATOM 533 CB ASP A 40 -4.316 -2.038 5.290 1.00 0.00 C ATOM 534 CG ASP A 40 -4.934 -1.072 6.281 1.00 0.00 C ATOM 535 OD1 ASP A 40 -5.251 0.068 5.880 1.00 0.00 O ATOM 536 OD2 ASP A 40 -5.102 -1.455 7.457 1.00 0.00 O ATOM 0 H ASP A 40 -2.823 -3.285 3.700 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.869 -0.857 3.552 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.106 -2.504 4.701 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.810 -2.837 5.833 1.00 0.00 H new ATOM 541 N GLU A 41 -1.444 -0.740 5.760 1.00 0.00 N ATOM 542 CA GLU A 41 -0.597 0.164 6.529 1.00 0.00 C ATOM 543 C GLU A 41 0.500 0.760 5.650 1.00 0.00 C ATOM 544 O GLU A 41 0.787 1.956 5.723 1.00 0.00 O ATOM 545 CB GLU A 41 0.030 -0.574 7.714 1.00 0.00 C ATOM 546 CG GLU A 41 0.900 -1.753 7.308 1.00 0.00 C ATOM 547 CD GLU A 41 1.035 -2.785 8.411 1.00 0.00 C ATOM 548 OE1 GLU A 41 0.077 -3.561 8.616 1.00 0.00 O ATOM 549 OE2 GLU A 41 2.097 -2.817 9.066 1.00 0.00 O ATOM 0 H GLU A 41 -1.138 -1.713 5.766 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.221 0.975 6.904 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.631 0.128 8.291 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.764 -0.929 8.371 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.475 -2.226 6.423 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.890 -1.391 7.031 1.00 0.00 H new ATOM 556 N CYS A 42 1.109 -0.080 4.821 1.00 0.00 N ATOM 557 CA CYS A 42 2.173 0.361 3.929 1.00 0.00 C ATOM 558 C CYS A 42 1.822 1.699 3.283 1.00 0.00 C ATOM 559 O CYS A 42 2.552 2.681 3.427 1.00 0.00 O ATOM 560 CB CYS A 42 2.429 -0.688 2.846 1.00 0.00 C ATOM 561 SG CYS A 42 3.810 -1.819 3.217 1.00 0.00 S ATOM 0 H CYS A 42 0.883 -1.072 4.749 1.00 0.00 H new ATOM 0 HA CYS A 42 3.079 0.489 4.522 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.522 -1.275 2.702 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.633 -0.180 1.904 1.00 0.00 H new ATOM 566 N ILE A 43 0.700 1.729 2.572 1.00 0.00 N ATOM 567 CA ILE A 43 0.251 2.945 1.906 1.00 0.00 C ATOM 568 C ILE A 43 -0.072 4.040 2.918 1.00 0.00 C ATOM 569 O ILE A 43 0.170 5.220 2.669 1.00 0.00 O ATOM 570 CB ILE A 43 -0.992 2.685 1.036 1.00 0.00 C ATOM 571 CG1 ILE A 43 -1.320 3.919 0.193 1.00 0.00 C ATOM 572 CG2 ILE A 43 -2.179 2.301 1.906 1.00 0.00 C ATOM 573 CD1 ILE A 43 -0.279 4.226 -0.860 1.00 0.00 C ATOM 0 H ILE A 43 0.085 0.925 2.442 1.00 0.00 H new ATOM 0 HA ILE A 43 1.070 3.274 1.267 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.777 1.855 0.363 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.284 3.771 -0.293 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.424 4.781 0.851 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.049 2.121 1.275 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.942 1.396 2.465 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.397 3.111 2.602 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.577 5.113 -1.419 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.683 4.406 -0.379 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.191 3.380 -1.542 1.00 0.00 H new ATOM 585 N ARG A 44 -0.619 3.638 4.061 1.00 0.00 N ATOM 586 CA ARG A 44 -0.975 4.584 5.112 1.00 0.00 C ATOM 587 C ARG A 44 0.239 5.403 5.539 1.00 0.00 C ATOM 588 O ARG A 44 0.235 6.632 5.452 1.00 0.00 O ATOM 589 CB ARG A 44 -1.555 3.844 6.318 1.00 0.00 C ATOM 590 CG ARG A 44 -1.870 4.752 7.496 1.00 0.00 C ATOM 591 CD ARG A 44 -1.948 3.970 8.798 1.00 0.00 C ATOM 592 NE ARG A 44 -3.038 2.998 8.787 1.00 0.00 N ATOM 593 CZ ARG A 44 -4.289 3.293 9.123 1.00 0.00 C ATOM 594 NH1 ARG A 44 -4.607 4.525 9.493 1.00 0.00 N ATOM 595 NH2 ARG A 44 -5.225 2.353 9.088 1.00 0.00 N ATOM 0 H ARG A 44 -0.825 2.664 4.283 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.729 5.264 4.715 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.466 3.329 6.014 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.848 3.079 6.639 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.103 5.522 7.578 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.817 5.263 7.320 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.003 3.454 8.968 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.087 4.662 9.629 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.827 2.040 8.506 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.890 5.250 9.520 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -5.568 4.748 9.750 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.984 1.404 8.803 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.185 2.580 9.346 1.00 0.00 H new ATOM 609 N THR A 45 1.278 4.715 6.003 1.00 0.00 N ATOM 610 CA THR A 45 2.498 5.379 6.445 1.00 0.00 C ATOM 611 C THR A 45 3.180 6.103 5.290 1.00 0.00 C ATOM 612 O THR A 45 3.429 7.306 5.361 1.00 0.00 O ATOM 613 CB THR A 45 3.490 4.376 7.065 1.00 0.00 C ATOM 614 OG1 THR A 45 2.880 3.706 8.174 1.00 0.00 O ATOM 615 CG2 THR A 45 4.756 5.082 7.527 1.00 0.00 C ATOM 0 H THR A 45 1.299 3.698 6.082 1.00 0.00 H new ATOM 0 HA THR A 45 2.205 6.106 7.203 1.00 0.00 H new ATOM 0 HB THR A 45 3.758 3.645 6.302 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.516 3.069 8.562 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.441 4.354 7.961 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.234 5.567 6.676 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.502 5.832 8.276 1.00 0.00 H new ATOM 623 N ALA A 46 3.478 5.363 4.228 1.00 0.00 N ATOM 624 CA ALA A 46 4.131 5.936 3.056 1.00 0.00 C ATOM 625 C ALA A 46 3.674 7.372 2.822 1.00 0.00 C ATOM 626 O ALA A 46 4.484 8.300 2.832 1.00 0.00 O ATOM 627 CB ALA A 46 3.849 5.085 1.828 1.00 0.00 C ATOM 0 H ALA A 46 3.278 4.366 4.154 1.00 0.00 H new ATOM 0 HA ALA A 46 5.206 5.949 3.238 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.342 5.524 0.960 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.229 4.076 1.990 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.774 5.044 1.652 1.00 0.00 H new ATOM 633 N LEU A 47 2.375 7.549 2.613 1.00 0.00 N ATOM 634 CA LEU A 47 1.811 8.873 2.376 1.00 0.00 C ATOM 635 C LEU A 47 2.278 9.862 3.439 1.00 0.00 C ATOM 636 O LEU A 47 2.697 10.978 3.124 1.00 0.00 O ATOM 637 CB LEU A 47 0.283 8.805 2.363 1.00 0.00 C ATOM 638 CG LEU A 47 -0.351 8.197 1.111 1.00 0.00 C ATOM 639 CD1 LEU A 47 -1.836 7.950 1.331 1.00 0.00 C ATOM 640 CD2 LEU A 47 -0.132 9.104 -0.091 1.00 0.00 C ATOM 0 H LEU A 47 1.692 6.792 2.603 1.00 0.00 H new ATOM 0 HA LEU A 47 2.161 9.220 1.404 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.042 8.227 3.228 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.107 9.815 2.489 1.00 0.00 H new ATOM 0 HG LEU A 47 0.130 7.239 0.911 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.270 7.517 0.430 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.971 7.262 2.165 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.332 8.894 1.556 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.590 8.656 -0.973 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.586 10.076 0.099 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.937 9.230 -0.261 1.00 0.00 H new ATOM 652 N LEU A 48 2.206 9.446 4.698 1.00 0.00 N ATOM 653 CA LEU A 48 2.623 10.295 5.810 1.00 0.00 C ATOM 654 C LEU A 48 4.123 10.564 5.755 1.00 0.00 C ATOM 655 O LEU A 48 4.554 11.710 5.630 1.00 0.00 O ATOM 656 CB LEU A 48 2.259 9.638 7.142 1.00 0.00 C ATOM 657 CG LEU A 48 0.800 9.216 7.306 1.00 0.00 C ATOM 658 CD1 LEU A 48 0.599 8.489 8.627 1.00 0.00 C ATOM 659 CD2 LEU A 48 -0.120 10.426 7.216 1.00 0.00 C ATOM 0 H LEU A 48 1.863 8.526 4.975 1.00 0.00 H new ATOM 0 HA LEU A 48 2.099 11.247 5.726 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.888 8.757 7.273 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.508 10.331 7.946 1.00 0.00 H new ATOM 0 HG LEU A 48 0.548 8.532 6.496 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.446 8.196 8.726 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.229 7.600 8.652 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.870 9.149 9.451 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.155 10.106 7.335 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.133 11.135 8.004 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.002 10.905 6.244 1.00 0.00 H new ATOM 671 N GLU A 49 4.915 9.500 5.847 1.00 0.00 N ATOM 672 CA GLU A 49 6.366 9.622 5.807 1.00 0.00 C ATOM 673 C GLU A 49 6.794 10.715 4.831 1.00 0.00 C ATOM 674 O GLU A 49 7.472 11.670 5.209 1.00 0.00 O ATOM 675 CB GLU A 49 7.002 8.289 5.406 1.00 0.00 C ATOM 676 CG GLU A 49 8.369 8.055 6.028 1.00 0.00 C ATOM 677 CD GLU A 49 9.501 8.565 5.159 1.00 0.00 C ATOM 678 OE1 GLU A 49 9.289 9.558 4.431 1.00 0.00 O ATOM 679 OE2 GLU A 49 10.599 7.971 5.203 1.00 0.00 O ATOM 0 H GLU A 49 4.575 8.544 5.950 1.00 0.00 H new ATOM 0 HA GLU A 49 6.709 9.895 6.805 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.336 7.476 5.697 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.095 8.252 4.321 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.411 8.548 6.999 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.505 6.988 6.206 1.00 0.00 H new ATOM 686 N SER A 50 6.392 10.566 3.572 1.00 0.00 N ATOM 687 CA SER A 50 6.736 11.537 2.540 1.00 0.00 C ATOM 688 C SER A 50 6.289 12.939 2.943 1.00 0.00 C ATOM 689 O SER A 50 5.699 13.134 4.006 1.00 0.00 O ATOM 690 CB SER A 50 6.093 11.147 1.209 1.00 0.00 C ATOM 691 OG SER A 50 6.529 9.866 0.787 1.00 0.00 O ATOM 0 H SER A 50 5.828 9.782 3.243 1.00 0.00 H new ATOM 0 HA SER A 50 7.820 11.539 2.424 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.008 11.150 1.311 1.00 0.00 H new ATOM 0 HB3 SER A 50 6.343 11.888 0.450 1.00 0.00 H new ATOM 0 HG SER A 50 6.018 9.175 1.258 1.00 0.00 H new ATOM 697 N ASP A 51 6.575 13.913 2.086 1.00 0.00 N ATOM 698 CA ASP A 51 6.201 15.298 2.350 1.00 0.00 C ATOM 699 C ASP A 51 4.810 15.377 2.971 1.00 0.00 C ATOM 700 O ASP A 51 4.658 15.764 4.129 1.00 0.00 O ATOM 701 CB ASP A 51 6.245 16.116 1.058 1.00 0.00 C ATOM 702 CG ASP A 51 7.599 16.756 0.823 1.00 0.00 C ATOM 703 OD1 ASP A 51 7.994 17.621 1.632 1.00 0.00 O ATOM 704 OD2 ASP A 51 8.263 16.391 -0.170 1.00 0.00 O ATOM 0 H ASP A 51 7.064 13.769 1.203 1.00 0.00 H new ATOM 0 HA ASP A 51 6.918 15.713 3.058 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.000 15.471 0.214 1.00 0.00 H new ATOM 0 HB3 ASP A 51 5.481 16.893 1.097 1.00 0.00 H new ATOM 709 N GLU A 52 3.798 15.008 2.192 1.00 0.00 N ATOM 710 CA GLU A 52 2.420 15.039 2.664 1.00 0.00 C ATOM 711 C GLU A 52 1.481 14.392 1.650 1.00 0.00 C ATOM 712 O GLU A 52 1.344 14.869 0.523 1.00 0.00 O ATOM 713 CB GLU A 52 1.981 16.480 2.934 1.00 0.00 C ATOM 714 CG GLU A 52 0.486 16.700 2.785 1.00 0.00 C ATOM 715 CD GLU A 52 -0.312 16.056 3.903 1.00 0.00 C ATOM 716 OE1 GLU A 52 0.104 14.982 4.386 1.00 0.00 O ATOM 717 OE2 GLU A 52 -1.352 16.625 4.294 1.00 0.00 O ATOM 0 H GLU A 52 3.907 14.684 1.231 1.00 0.00 H new ATOM 0 HA GLU A 52 2.370 14.471 3.593 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.282 16.759 3.944 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.507 17.145 2.250 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.280 17.770 2.766 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.156 16.295 1.828 1.00 0.00 H new ATOM 724 N HIS A 53 0.837 13.303 2.059 1.00 0.00 N ATOM 725 CA HIS A 53 -0.089 12.590 1.185 1.00 0.00 C ATOM 726 C HIS A 53 0.428 12.564 -0.249 1.00 0.00 C ATOM 727 O HIS A 53 -0.311 12.849 -1.192 1.00 0.00 O ATOM 728 CB HIS A 53 -1.471 13.242 1.231 1.00 0.00 C ATOM 729 CG HIS A 53 -2.051 13.322 2.610 1.00 0.00 C ATOM 730 ND1 HIS A 53 -2.993 14.259 2.976 1.00 0.00 N ATOM 731 CD2 HIS A 53 -1.819 12.572 3.712 1.00 0.00 C ATOM 732 CE1 HIS A 53 -3.314 14.084 4.246 1.00 0.00 C ATOM 733 NE2 HIS A 53 -2.616 13.066 4.716 1.00 0.00 N ATOM 0 H HIS A 53 0.939 12.895 2.988 1.00 0.00 H new ATOM 0 HA HIS A 53 -0.169 11.563 1.541 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -1.403 14.247 0.816 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -2.151 12.678 0.592 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -1.135 11.740 3.788 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -4.026 14.673 4.805 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -2.661 12.705 5.669 1.00 0.00 H new ATOM 741 N THR A 54 1.703 12.222 -0.409 1.00 0.00 N ATOM 742 CA THR A 54 2.319 12.161 -1.728 1.00 0.00 C ATOM 743 C THR A 54 2.645 10.724 -2.116 1.00 0.00 C ATOM 744 O THR A 54 3.482 10.075 -1.489 1.00 0.00 O ATOM 745 CB THR A 54 3.610 13.001 -1.784 1.00 0.00 C ATOM 746 OG1 THR A 54 3.357 14.320 -1.289 1.00 0.00 O ATOM 747 CG2 THR A 54 4.140 13.081 -3.208 1.00 0.00 C ATOM 0 H THR A 54 2.329 11.983 0.360 1.00 0.00 H new ATOM 0 HA THR A 54 1.596 12.570 -2.434 1.00 0.00 H new ATOM 0 HB THR A 54 4.361 12.517 -1.160 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.529 14.319 -0.765 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.051 13.679 -3.224 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.358 12.077 -3.572 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.391 13.545 -3.850 1.00 0.00 H new ATOM 755 N CYS A 55 1.978 10.231 -3.155 1.00 0.00 N ATOM 756 CA CYS A 55 2.196 8.869 -3.628 1.00 0.00 C ATOM 757 C CYS A 55 3.634 8.683 -4.105 1.00 0.00 C ATOM 758 O CYS A 55 4.107 9.364 -5.014 1.00 0.00 O ATOM 759 CB CYS A 55 1.224 8.541 -4.765 1.00 0.00 C ATOM 760 SG CYS A 55 1.374 6.841 -5.402 1.00 0.00 S ATOM 0 H CYS A 55 1.282 10.755 -3.685 1.00 0.00 H new ATOM 0 HA CYS A 55 2.016 8.188 -2.796 1.00 0.00 H new ATOM 0 HB2 CYS A 55 0.204 8.698 -4.414 1.00 0.00 H new ATOM 0 HB3 CYS A 55 1.390 9.241 -5.584 1.00 0.00 H new ATOM 765 N PRO A 56 4.347 7.738 -3.476 1.00 0.00 N ATOM 766 CA PRO A 56 5.741 7.438 -3.819 1.00 0.00 C ATOM 767 C PRO A 56 5.871 6.768 -5.182 1.00 0.00 C ATOM 768 O PRO A 56 6.966 6.382 -5.594 1.00 0.00 O ATOM 769 CB PRO A 56 6.181 6.481 -2.708 1.00 0.00 C ATOM 770 CG PRO A 56 4.921 5.843 -2.236 1.00 0.00 C ATOM 771 CD PRO A 56 3.849 6.887 -2.382 1.00 0.00 C ATOM 0 HA PRO A 56 6.348 8.341 -3.888 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.885 5.738 -3.082 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.681 7.015 -1.900 1.00 0.00 H new ATOM 0 HG2 PRO A 56 4.687 4.958 -2.827 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.012 5.519 -1.199 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.885 6.441 -2.627 1.00 0.00 H new ATOM 0 HD3 PRO A 56 3.713 7.455 -1.461 1.00 0.00 H new ATOM 779 N THR A 57 4.748 6.632 -5.880 1.00 0.00 N ATOM 780 CA THR A 57 4.737 6.009 -7.198 1.00 0.00 C ATOM 781 C THR A 57 4.590 7.053 -8.298 1.00 0.00 C ATOM 782 O THR A 57 5.429 7.146 -9.195 1.00 0.00 O ATOM 783 CB THR A 57 3.596 4.983 -7.323 1.00 0.00 C ATOM 784 OG1 THR A 57 3.521 4.186 -6.136 1.00 0.00 O ATOM 785 CG2 THR A 57 3.808 4.083 -8.531 1.00 0.00 C ATOM 0 H THR A 57 3.834 6.945 -5.554 1.00 0.00 H new ATOM 0 HA THR A 57 5.692 5.496 -7.314 1.00 0.00 H new ATOM 0 HB THR A 57 2.661 5.527 -7.454 1.00 0.00 H new ATOM 0 HG1 THR A 57 2.912 4.610 -5.495 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.990 3.366 -8.599 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.835 4.689 -9.436 1.00 0.00 H new ATOM 0 HG23 THR A 57 4.751 3.547 -8.425 1.00 0.00 H new ATOM 793 N CYS A 58 3.520 7.837 -8.226 1.00 0.00 N ATOM 794 CA CYS A 58 3.263 8.875 -9.215 1.00 0.00 C ATOM 795 C CYS A 58 3.364 10.263 -8.588 1.00 0.00 C ATOM 796 O CYS A 58 2.680 11.197 -9.008 1.00 0.00 O ATOM 797 CB CYS A 58 1.879 8.684 -9.838 1.00 0.00 C ATOM 798 SG CYS A 58 0.518 8.647 -8.627 1.00 0.00 S ATOM 0 H CYS A 58 2.816 7.772 -7.491 1.00 0.00 H new ATOM 0 HA CYS A 58 4.020 8.793 -9.995 1.00 0.00 H new ATOM 0 HB2 CYS A 58 1.697 9.491 -10.548 1.00 0.00 H new ATOM 0 HB3 CYS A 58 1.873 7.753 -10.405 1.00 0.00 H new ATOM 803 N HIS A 59 4.220 10.389 -7.580 1.00 0.00 N ATOM 804 CA HIS A 59 4.411 11.663 -6.894 1.00 0.00 C ATOM 805 C HIS A 59 3.111 12.460 -6.856 1.00 0.00 C ATOM 806 O HIS A 59 3.101 13.662 -7.119 1.00 0.00 O ATOM 807 CB HIS A 59 5.503 12.480 -7.587 1.00 0.00 C ATOM 808 CG HIS A 59 6.700 11.669 -7.978 1.00 0.00 C ATOM 809 ND1 HIS A 59 7.063 11.449 -9.290 1.00 0.00 N ATOM 810 CD2 HIS A 59 7.620 11.026 -7.222 1.00 0.00 C ATOM 811 CE1 HIS A 59 8.153 10.704 -9.324 1.00 0.00 C ATOM 812 NE2 HIS A 59 8.512 10.434 -8.082 1.00 0.00 N ATOM 0 H HIS A 59 4.793 9.626 -7.220 1.00 0.00 H new ATOM 0 HA HIS A 59 4.718 11.453 -5.869 1.00 0.00 H new ATOM 0 HB2 HIS A 59 5.085 12.948 -8.478 1.00 0.00 H new ATOM 0 HB3 HIS A 59 5.820 13.284 -6.923 1.00 0.00 H new ATOM 0 HD2 HIS A 59 7.648 10.986 -6.143 1.00 0.00 H new ATOM 0 HE1 HIS A 59 8.664 10.372 -10.216 1.00 0.00 H new ATOM 0 HE2 HIS A 59 9.320 9.876 -7.806 1.00 0.00 H new ATOM 820 N GLN A 60 2.016 11.781 -6.528 1.00 0.00 N ATOM 821 CA GLN A 60 0.711 12.426 -6.457 1.00 0.00 C ATOM 822 C GLN A 60 0.692 13.499 -5.372 1.00 0.00 C ATOM 823 O GLN A 60 1.632 13.620 -4.589 1.00 0.00 O ATOM 824 CB GLN A 60 -0.380 11.388 -6.183 1.00 0.00 C ATOM 825 CG GLN A 60 -1.715 11.726 -6.829 1.00 0.00 C ATOM 826 CD GLN A 60 -2.626 12.512 -5.907 1.00 0.00 C ATOM 827 OE1 GLN A 60 -2.478 12.471 -4.686 1.00 0.00 O ATOM 828 NE2 GLN A 60 -3.578 13.233 -6.489 1.00 0.00 N ATOM 0 H GLN A 60 2.007 10.785 -6.308 1.00 0.00 H new ATOM 0 HA GLN A 60 0.517 12.903 -7.418 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.045 10.416 -6.546 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -0.520 11.295 -5.106 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -1.539 12.302 -7.738 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -2.214 10.804 -7.127 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.665 13.238 -7.505 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -4.222 13.782 -5.920 1.00 0.00 H new ATOM 837 N ASN A 61 -0.386 14.275 -5.334 1.00 0.00 N ATOM 838 CA ASN A 61 -0.528 15.339 -4.346 1.00 0.00 C ATOM 839 C ASN A 61 -1.858 15.223 -3.609 1.00 0.00 C ATOM 840 O ASN A 61 -2.890 15.693 -4.091 1.00 0.00 O ATOM 841 CB ASN A 61 -0.423 16.708 -5.021 1.00 0.00 C ATOM 842 CG ASN A 61 0.439 16.672 -6.269 1.00 0.00 C ATOM 843 OD1 ASN A 61 1.583 17.129 -6.260 1.00 0.00 O ATOM 844 ND2 ASN A 61 -0.107 16.128 -7.350 1.00 0.00 N ATOM 0 H ASN A 61 -1.174 14.187 -5.976 1.00 0.00 H new ATOM 0 HA ASN A 61 0.279 15.237 -3.620 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.421 17.059 -5.282 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.007 17.427 -4.316 1.00 0.00 H new ATOM 0 HD21 ASN A 61 0.425 16.076 -8.219 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.058 15.762 -7.312 1.00 0.00 H new ATOM 851 N ASP A 62 -1.828 14.596 -2.438 1.00 0.00 N ATOM 852 CA ASP A 62 -3.031 14.421 -1.633 1.00 0.00 C ATOM 853 C ASP A 62 -3.935 13.348 -2.233 1.00 0.00 C ATOM 854 O ASP A 62 -5.111 13.593 -2.505 1.00 0.00 O ATOM 855 CB ASP A 62 -3.793 15.742 -1.520 1.00 0.00 C ATOM 856 CG ASP A 62 -2.874 16.917 -1.248 1.00 0.00 C ATOM 857 OD1 ASP A 62 -1.878 16.736 -0.518 1.00 0.00 O ATOM 858 OD2 ASP A 62 -3.153 18.020 -1.765 1.00 0.00 O ATOM 0 H ASP A 62 -0.983 14.200 -2.025 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.727 14.100 -0.637 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.344 15.921 -2.443 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.529 15.667 -0.719 1.00 0.00 H new ATOM 863 N VAL A 63 -3.378 12.159 -2.440 1.00 0.00 N ATOM 864 CA VAL A 63 -4.133 11.049 -3.007 1.00 0.00 C ATOM 865 C VAL A 63 -5.267 10.624 -2.081 1.00 0.00 C ATOM 866 O VAL A 63 -5.033 10.229 -0.939 1.00 0.00 O ATOM 867 CB VAL A 63 -3.226 9.835 -3.282 1.00 0.00 C ATOM 868 CG1 VAL A 63 -2.636 9.305 -1.983 1.00 0.00 C ATOM 869 CG2 VAL A 63 -3.999 8.746 -4.010 1.00 0.00 C ATOM 0 H VAL A 63 -2.406 11.940 -2.223 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.552 11.401 -3.950 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.404 10.155 -3.923 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.998 8.447 -2.196 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.045 10.087 -1.506 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.442 9.000 -1.315 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.342 7.896 -4.196 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.842 8.426 -3.397 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.368 9.134 -4.959 1.00 0.00 H new ATOM 879 N SER A 64 -6.495 10.707 -2.581 1.00 0.00 N ATOM 880 CA SER A 64 -7.666 10.335 -1.797 1.00 0.00 C ATOM 881 C SER A 64 -7.423 9.030 -1.043 1.00 0.00 C ATOM 882 O SER A 64 -7.465 7.938 -1.613 1.00 0.00 O ATOM 883 CB SER A 64 -8.890 10.193 -2.704 1.00 0.00 C ATOM 884 OG SER A 64 -9.971 9.590 -2.013 1.00 0.00 O ATOM 0 H SER A 64 -6.705 11.029 -3.526 1.00 0.00 H new ATOM 0 HA SER A 64 -7.852 11.126 -1.070 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.191 11.175 -3.070 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.632 9.593 -3.576 1.00 0.00 H new ATOM 0 HG SER A 64 -10.784 9.656 -2.556 1.00 0.00 H new ATOM 890 N PRO A 65 -7.163 9.144 0.267 1.00 0.00 N ATOM 891 CA PRO A 65 -6.909 7.984 1.128 1.00 0.00 C ATOM 892 C PRO A 65 -8.159 7.142 1.349 1.00 0.00 C ATOM 893 O PRO A 65 -8.074 5.980 1.748 1.00 0.00 O ATOM 894 CB PRO A 65 -6.449 8.614 2.445 1.00 0.00 C ATOM 895 CG PRO A 65 -7.058 9.973 2.448 1.00 0.00 C ATOM 896 CD PRO A 65 -7.098 10.413 1.011 1.00 0.00 C ATOM 0 HA PRO A 65 -6.181 7.302 0.689 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -6.783 8.029 3.302 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -5.362 8.667 2.500 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -8.060 9.951 2.877 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -6.468 10.663 3.051 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -7.964 11.043 0.808 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -6.214 10.991 0.743 1.00 0.00 H new ATOM 904 N ASP A 66 -9.320 7.733 1.086 1.00 0.00 N ATOM 905 CA ASP A 66 -10.589 7.035 1.256 1.00 0.00 C ATOM 906 C ASP A 66 -10.898 6.166 0.041 1.00 0.00 C ATOM 907 O ASP A 66 -11.314 5.016 0.177 1.00 0.00 O ATOM 908 CB ASP A 66 -11.721 8.038 1.483 1.00 0.00 C ATOM 909 CG ASP A 66 -13.058 7.360 1.712 1.00 0.00 C ATOM 910 OD1 ASP A 66 -13.067 6.229 2.245 1.00 0.00 O ATOM 911 OD2 ASP A 66 -14.095 7.961 1.363 1.00 0.00 O ATOM 0 H ASP A 66 -9.408 8.694 0.754 1.00 0.00 H new ATOM 0 HA ASP A 66 -10.506 6.389 2.130 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -11.482 8.663 2.343 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.795 8.699 0.620 1.00 0.00 H new ATOM 916 N ALA A 67 -10.693 6.726 -1.148 1.00 0.00 N ATOM 917 CA ALA A 67 -10.948 6.002 -2.387 1.00 0.00 C ATOM 918 C ALA A 67 -10.472 4.557 -2.287 1.00 0.00 C ATOM 919 O ALA A 67 -11.151 3.636 -2.745 1.00 0.00 O ATOM 920 CB ALA A 67 -10.273 6.703 -3.556 1.00 0.00 C ATOM 0 H ALA A 67 -10.351 7.678 -1.278 1.00 0.00 H new ATOM 0 HA ALA A 67 -12.025 5.991 -2.557 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -10.472 6.151 -4.475 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -10.665 7.716 -3.649 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -9.198 6.745 -3.383 1.00 0.00 H new ATOM 926 N LEU A 68 -9.302 4.364 -1.688 1.00 0.00 N ATOM 927 CA LEU A 68 -8.735 3.030 -1.529 1.00 0.00 C ATOM 928 C LEU A 68 -9.828 2.003 -1.255 1.00 0.00 C ATOM 929 O LEU A 68 -10.833 2.306 -0.613 1.00 0.00 O ATOM 930 CB LEU A 68 -7.714 3.021 -0.390 1.00 0.00 C ATOM 931 CG LEU A 68 -6.638 4.106 -0.444 1.00 0.00 C ATOM 932 CD1 LEU A 68 -5.772 4.062 0.804 1.00 0.00 C ATOM 933 CD2 LEU A 68 -5.784 3.948 -1.694 1.00 0.00 C ATOM 0 H LEU A 68 -8.728 5.115 -1.304 1.00 0.00 H new ATOM 0 HA LEU A 68 -8.235 2.761 -2.459 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.251 3.117 0.553 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.221 2.049 -0.379 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.131 5.077 -0.485 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.012 4.841 0.747 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.394 4.225 1.684 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.288 3.088 0.877 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.023 4.729 -1.716 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.301 2.971 -1.684 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.415 4.031 -2.579 1.00 0.00 H new ATOM 945 N SER A 69 -9.624 0.783 -1.745 1.00 0.00 N ATOM 946 CA SER A 69 -10.593 -0.289 -1.555 1.00 0.00 C ATOM 947 C SER A 69 -10.717 -0.654 -0.079 1.00 0.00 C ATOM 948 O SER A 69 -9.803 -0.416 0.710 1.00 0.00 O ATOM 949 CB SER A 69 -10.186 -1.522 -2.365 1.00 0.00 C ATOM 950 OG SER A 69 -11.138 -2.562 -2.222 1.00 0.00 O ATOM 0 H SER A 69 -8.796 0.514 -2.276 1.00 0.00 H new ATOM 0 HA SER A 69 -11.562 0.064 -1.906 1.00 0.00 H new ATOM 0 HB2 SER A 69 -10.090 -1.254 -3.417 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.208 -1.872 -2.035 1.00 0.00 H new ATOM 0 HG SER A 69 -10.857 -3.338 -2.750 1.00 0.00 H new ATOM 956 N GLY A 70 -11.855 -1.234 0.288 1.00 0.00 N ATOM 957 CA GLY A 70 -12.079 -1.622 1.669 1.00 0.00 C ATOM 958 C GLY A 70 -13.545 -1.858 1.974 1.00 0.00 C ATOM 959 O GLY A 70 -14.433 -1.313 1.318 1.00 0.00 O ATOM 0 H GLY A 70 -12.626 -1.442 -0.346 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -11.516 -2.530 1.884 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -11.694 -0.844 2.329 1.00 0.00 H new ATOM 963 N PRO A 71 -13.816 -2.688 2.992 1.00 0.00 N ATOM 964 CA PRO A 71 -15.184 -3.014 3.405 1.00 0.00 C ATOM 965 C PRO A 71 -15.890 -1.830 4.056 1.00 0.00 C ATOM 966 O PRO A 71 -17.111 -1.698 3.967 1.00 0.00 O ATOM 967 CB PRO A 71 -14.988 -4.143 4.420 1.00 0.00 C ATOM 968 CG PRO A 71 -13.612 -3.938 4.954 1.00 0.00 C ATOM 969 CD PRO A 71 -12.806 -3.373 3.817 1.00 0.00 C ATOM 0 HA PRO A 71 -15.812 -3.288 2.557 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -15.732 -4.094 5.215 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -15.088 -5.121 3.949 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -13.621 -3.255 5.803 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -13.186 -4.878 5.305 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -12.040 -2.683 4.171 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -12.295 -4.157 3.258 1.00 0.00 H new ATOM 977 N SER A 72 -15.115 -0.971 4.709 1.00 0.00 N ATOM 978 CA SER A 72 -15.668 0.202 5.378 1.00 0.00 C ATOM 979 C SER A 72 -15.248 1.483 4.664 1.00 0.00 C ATOM 980 O SER A 72 -14.068 1.689 4.378 1.00 0.00 O ATOM 981 CB SER A 72 -15.212 0.245 6.837 1.00 0.00 C ATOM 982 OG SER A 72 -16.092 -0.494 7.667 1.00 0.00 O ATOM 0 H SER A 72 -14.102 -1.064 4.790 1.00 0.00 H new ATOM 0 HA SER A 72 -16.755 0.129 5.347 1.00 0.00 H new ATOM 0 HB2 SER A 72 -14.203 -0.160 6.918 1.00 0.00 H new ATOM 0 HB3 SER A 72 -15.168 1.280 7.178 1.00 0.00 H new ATOM 0 HG SER A 72 -15.778 -0.453 8.595 1.00 0.00 H new ATOM 988 N SER A 73 -16.222 2.341 4.377 1.00 0.00 N ATOM 989 CA SER A 73 -15.955 3.601 3.694 1.00 0.00 C ATOM 990 C SER A 73 -16.682 4.755 4.377 1.00 0.00 C ATOM 991 O SER A 73 -17.772 4.581 4.920 1.00 0.00 O ATOM 992 CB SER A 73 -16.383 3.510 2.227 1.00 0.00 C ATOM 993 OG SER A 73 -16.066 4.702 1.529 1.00 0.00 O ATOM 0 H SER A 73 -17.204 2.186 4.607 1.00 0.00 H new ATOM 0 HA SER A 73 -14.883 3.792 3.742 1.00 0.00 H new ATOM 0 HB2 SER A 73 -15.887 2.664 1.752 1.00 0.00 H new ATOM 0 HB3 SER A 73 -17.456 3.325 2.169 1.00 0.00 H new ATOM 0 HG SER A 73 -16.348 4.618 0.594 1.00 0.00 H new ATOM 999 N GLY A 74 -16.069 5.934 4.345 1.00 0.00 N ATOM 1000 CA GLY A 74 -16.672 7.100 4.964 1.00 0.00 C ATOM 1001 C GLY A 74 -16.821 6.946 6.465 1.00 0.00 C ATOM 1002 O GLY A 74 -17.942 7.024 6.966 1.00 0.00 O ATOM 0 H GLY A 74 -15.166 6.103 3.902 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -16.062 7.978 4.750 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -17.652 7.277 4.521 1.00 0.00 H new TER 1006 GLY A 74 HETATM 1007 ZN ZN A 201 3.907 -3.864 2.473 1.00 0.00 ZN HETATM 1008 ZN ZN A 401 0.138 6.836 -7.423 1.00 0.00 ZN