USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 427 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 15 CYS SG : rot -148:sc= -1.9 USER MOD Set 1.2: A 18 HIS : no HD1:sc= -5.88! C(o=-15!,f=-18!) USER MOD Set 1.3: A 34 CYS SG : rot 174:sc= -2.16 USER MOD Set 1.4: A 37 CYS SG : rot -80:sc= -4.71! USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 57:sc= 0.0455 USER MOD Single : A 5 SER OG : rot -57:sc= 0.699 USER MOD Single : A 14 THR OG1 : rot 180:sc= -1.74 USER MOD Single : A 17 ASN : amide:sc= -0.0215 X(o=-0.021,f=-0.28) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0.131 X(o=0.13,f=-0.18) USER MOD Single : A 59 LYS NZ :NH3+ 157:sc=-0.00617 (180deg=-0.38) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -34.273 -1.379 -5.673 1.00 0.00 N ATOM 2 CA ALA A 2 -34.304 0.083 -5.939 1.00 0.00 C ATOM 3 C ALA A 2 -33.225 0.480 -6.940 1.00 0.00 C ATOM 4 O ALA A 2 -32.491 -0.369 -7.446 1.00 0.00 O ATOM 5 CB ALA A 2 -34.130 0.858 -4.642 1.00 0.00 C ATOM 0 HA ALA A 2 -35.274 0.329 -6.371 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -34.155 1.927 -4.851 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -34.937 0.604 -3.955 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -33.173 0.599 -4.189 1.00 0.00 H new ATOM 10 N SER A 3 -33.132 1.776 -7.219 1.00 0.00 N ATOM 11 CA SER A 3 -32.142 2.287 -8.158 1.00 0.00 C ATOM 12 C SER A 3 -30.773 2.399 -7.493 1.00 0.00 C ATOM 13 O SER A 3 -29.741 2.235 -8.144 1.00 0.00 O ATOM 14 CB SER A 3 -32.573 3.653 -8.696 1.00 0.00 C ATOM 15 OG SER A 3 -33.606 3.519 -9.657 1.00 0.00 O ATOM 0 H SER A 3 -33.731 2.492 -6.807 1.00 0.00 H new ATOM 0 HA SER A 3 -32.069 1.585 -8.989 1.00 0.00 H new ATOM 0 HB2 SER A 3 -32.917 4.280 -7.873 1.00 0.00 H new ATOM 0 HB3 SER A 3 -31.717 4.157 -9.145 1.00 0.00 H new ATOM 0 HG SER A 3 -33.865 4.406 -9.984 1.00 0.00 H new ATOM 21 N THR A 4 -30.774 2.679 -6.194 1.00 0.00 N ATOM 22 CA THR A 4 -29.533 2.812 -5.440 1.00 0.00 C ATOM 23 C THR A 4 -28.833 1.464 -5.305 1.00 0.00 C ATOM 24 O THR A 4 -28.918 0.809 -4.267 1.00 0.00 O ATOM 25 CB THR A 4 -29.815 3.395 -4.054 1.00 0.00 C ATOM 26 OG1 THR A 4 -30.970 2.803 -3.489 1.00 0.00 O ATOM 27 CG2 THR A 4 -30.024 4.893 -4.068 1.00 0.00 C ATOM 0 H THR A 4 -31.620 2.818 -5.642 1.00 0.00 H new ATOM 0 HA THR A 4 -28.876 3.490 -5.985 1.00 0.00 H new ATOM 0 HB THR A 4 -28.928 3.175 -3.460 1.00 0.00 H new ATOM 0 HG1 THR A 4 -30.855 1.830 -3.453 1.00 0.00 H new ATOM 0 HG21 THR A 4 -30.219 5.243 -3.054 1.00 0.00 H new ATOM 0 HG22 THR A 4 -29.129 5.382 -4.454 1.00 0.00 H new ATOM 0 HG23 THR A 4 -30.874 5.136 -4.706 1.00 0.00 H new ATOM 35 N SER A 5 -28.138 1.055 -6.363 1.00 0.00 N ATOM 36 CA SER A 5 -27.422 -0.215 -6.365 1.00 0.00 C ATOM 37 C SER A 5 -26.656 -0.405 -7.670 1.00 0.00 C ATOM 38 O SER A 5 -26.646 -1.495 -8.243 1.00 0.00 O ATOM 39 CB SER A 5 -28.398 -1.374 -6.157 1.00 0.00 C ATOM 40 OG SER A 5 -27.711 -2.610 -6.070 1.00 0.00 O ATOM 0 H SER A 5 -28.056 1.586 -7.230 1.00 0.00 H new ATOM 0 HA SER A 5 -26.705 -0.202 -5.544 1.00 0.00 H new ATOM 0 HB2 SER A 5 -28.974 -1.210 -5.246 1.00 0.00 H new ATOM 0 HB3 SER A 5 -29.109 -1.407 -6.982 1.00 0.00 H new ATOM 0 HG SER A 5 -27.181 -2.747 -6.883 1.00 0.00 H new ATOM 46 N ARG A 6 -26.015 0.662 -8.134 1.00 0.00 N ATOM 47 CA ARG A 6 -25.245 0.613 -9.373 1.00 0.00 C ATOM 48 C ARG A 6 -24.129 -0.424 -9.279 1.00 0.00 C ATOM 49 O ARG A 6 -24.259 -1.538 -9.786 1.00 0.00 O ATOM 50 CB ARG A 6 -24.658 1.990 -9.688 1.00 0.00 C ATOM 51 CG ARG A 6 -25.662 2.957 -10.295 1.00 0.00 C ATOM 52 CD ARG A 6 -25.445 3.129 -11.792 1.00 0.00 C ATOM 53 NE ARG A 6 -26.582 2.641 -12.569 1.00 0.00 N ATOM 54 CZ ARG A 6 -27.726 3.308 -12.706 1.00 0.00 C ATOM 55 NH1 ARG A 6 -27.889 4.488 -12.121 1.00 0.00 N ATOM 56 NH2 ARG A 6 -28.710 2.793 -13.432 1.00 0.00 N ATOM 0 H ARG A 6 -26.013 1.571 -7.672 1.00 0.00 H new ATOM 0 HA ARG A 6 -25.918 0.322 -10.180 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -24.258 2.423 -8.771 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -23.821 1.870 -10.376 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -26.673 2.593 -10.113 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -25.578 3.925 -9.802 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -25.279 4.183 -12.016 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -24.544 2.593 -12.092 1.00 0.00 H new ATOM 0 HE ARG A 6 -26.494 1.737 -13.033 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -27.135 4.889 -11.563 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -28.768 4.994 -12.230 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -28.590 1.887 -13.885 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -29.587 3.303 -13.538 1.00 0.00 H new ATOM 70 N LEU A 7 -23.031 -0.051 -8.626 1.00 0.00 N ATOM 71 CA LEU A 7 -21.892 -0.948 -8.464 1.00 0.00 C ATOM 72 C LEU A 7 -20.744 -0.242 -7.745 1.00 0.00 C ATOM 73 O LEU A 7 -20.479 0.934 -7.985 1.00 0.00 O ATOM 74 CB LEU A 7 -21.417 -1.462 -9.828 1.00 0.00 C ATOM 75 CG LEU A 7 -21.793 -2.912 -10.139 1.00 0.00 C ATOM 76 CD1 LEU A 7 -22.039 -3.091 -11.628 1.00 0.00 C ATOM 77 CD2 LEU A 7 -20.703 -3.860 -9.659 1.00 0.00 C ATOM 0 H LEU A 7 -22.907 0.868 -8.200 1.00 0.00 H new ATOM 0 HA LEU A 7 -22.213 -1.796 -7.858 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -21.831 -0.820 -10.606 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -20.333 -1.365 -9.879 1.00 0.00 H new ATOM 0 HG LEU A 7 -22.714 -3.151 -9.608 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -22.305 -4.128 -11.831 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -22.854 -2.439 -11.943 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -21.135 -2.834 -12.180 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -20.987 -4.887 -9.888 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -19.766 -3.622 -10.162 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -20.574 -3.751 -8.582 1.00 0.00 H new ATOM 89 N ASP A 8 -20.068 -0.972 -6.865 1.00 0.00 N ATOM 90 CA ASP A 8 -18.948 -0.418 -6.112 1.00 0.00 C ATOM 91 C ASP A 8 -17.733 -1.336 -6.193 1.00 0.00 C ATOM 92 O ASP A 8 -16.935 -1.409 -5.258 1.00 0.00 O ATOM 93 CB ASP A 8 -19.343 -0.204 -4.650 1.00 0.00 C ATOM 94 CG ASP A 8 -20.027 -1.418 -4.054 1.00 0.00 C ATOM 95 OD1 ASP A 8 -21.266 -1.522 -4.177 1.00 0.00 O ATOM 96 OD2 ASP A 8 -19.325 -2.266 -3.464 1.00 0.00 O ATOM 0 H ASP A 8 -20.276 -1.948 -6.655 1.00 0.00 H new ATOM 0 HA ASP A 8 -18.686 0.544 -6.554 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -18.453 0.031 -4.066 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -20.008 0.657 -4.578 1.00 0.00 H new ATOM 101 N ALA A 9 -17.600 -2.037 -7.316 1.00 0.00 N ATOM 102 CA ALA A 9 -16.484 -2.952 -7.517 1.00 0.00 C ATOM 103 C ALA A 9 -15.495 -2.399 -8.536 1.00 0.00 C ATOM 104 O ALA A 9 -15.889 -1.861 -9.571 1.00 0.00 O ATOM 105 CB ALA A 9 -16.996 -4.314 -7.961 1.00 0.00 C ATOM 0 H ALA A 9 -18.252 -1.988 -8.099 1.00 0.00 H new ATOM 0 HA ALA A 9 -15.960 -3.062 -6.567 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -16.153 -4.989 -8.108 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -17.658 -4.721 -7.196 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -17.544 -4.209 -8.897 1.00 0.00 H new ATOM 111 N LEU A 10 -14.207 -2.540 -8.239 1.00 0.00 N ATOM 112 CA LEU A 10 -13.156 -2.059 -9.131 1.00 0.00 C ATOM 113 C LEU A 10 -11.844 -2.804 -8.880 1.00 0.00 C ATOM 114 O LEU A 10 -11.362 -3.528 -9.751 1.00 0.00 O ATOM 115 CB LEU A 10 -12.942 -0.543 -8.976 1.00 0.00 C ATOM 116 CG LEU A 10 -13.933 0.183 -8.058 1.00 0.00 C ATOM 117 CD1 LEU A 10 -13.251 1.349 -7.355 1.00 0.00 C ATOM 118 CD2 LEU A 10 -15.140 0.669 -8.850 1.00 0.00 C ATOM 0 H LEU A 10 -13.865 -2.984 -7.387 1.00 0.00 H new ATOM 0 HA LEU A 10 -13.479 -2.256 -10.153 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -11.934 -0.375 -8.596 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -12.990 -0.086 -9.964 1.00 0.00 H new ATOM 0 HG LEU A 10 -14.280 -0.521 -7.302 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -13.968 1.853 -6.708 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -12.420 0.977 -6.756 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -12.876 2.053 -8.098 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -15.832 1.181 -8.181 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -14.811 1.357 -9.629 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -15.642 -0.183 -9.308 1.00 0.00 H new ATOM 130 N PRO A 11 -11.246 -2.644 -7.683 1.00 0.00 N ATOM 131 CA PRO A 11 -9.986 -3.316 -7.338 1.00 0.00 C ATOM 132 C PRO A 11 -10.128 -4.836 -7.317 1.00 0.00 C ATOM 133 O PRO A 11 -11.220 -5.363 -7.107 1.00 0.00 O ATOM 134 CB PRO A 11 -9.666 -2.790 -5.933 1.00 0.00 C ATOM 135 CG PRO A 11 -10.972 -2.321 -5.394 1.00 0.00 C ATOM 136 CD PRO A 11 -11.740 -1.805 -6.576 1.00 0.00 C ATOM 0 HA PRO A 11 -9.205 -3.110 -8.070 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.238 -3.572 -5.306 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -8.940 -1.978 -5.971 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.508 -3.134 -4.904 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -10.829 -1.539 -4.649 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -12.816 -1.913 -6.437 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -11.546 -0.747 -6.753 1.00 0.00 H new ATOM 144 N ARG A 12 -9.017 -5.535 -7.534 1.00 0.00 N ATOM 145 CA ARG A 12 -9.021 -6.994 -7.539 1.00 0.00 C ATOM 146 C ARG A 12 -9.511 -7.539 -6.201 1.00 0.00 C ATOM 147 O ARG A 12 -10.299 -8.483 -6.154 1.00 0.00 O ATOM 148 CB ARG A 12 -7.619 -7.529 -7.839 1.00 0.00 C ATOM 149 CG ARG A 12 -7.064 -7.063 -9.177 1.00 0.00 C ATOM 150 CD ARG A 12 -5.825 -6.197 -9.004 1.00 0.00 C ATOM 151 NE ARG A 12 -5.935 -4.934 -9.730 1.00 0.00 N ATOM 152 CZ ARG A 12 -5.919 -4.838 -11.057 1.00 0.00 C ATOM 153 NH1 ARG A 12 -5.799 -5.926 -11.808 1.00 0.00 N ATOM 154 NH2 ARG A 12 -6.022 -3.648 -11.637 1.00 0.00 N ATOM 0 H ARG A 12 -8.104 -5.115 -7.708 1.00 0.00 H new ATOM 0 HA ARG A 12 -9.703 -7.329 -8.320 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -6.942 -7.215 -7.045 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.644 -8.619 -7.825 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.819 -7.930 -9.791 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -7.829 -6.500 -9.712 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.670 -5.994 -7.944 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.949 -6.742 -9.356 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.030 -4.075 -9.188 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.718 -6.843 -11.368 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.787 -5.845 -12.825 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.113 -2.808 -11.065 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.010 -3.574 -12.654 1.00 0.00 H new ATOM 168 N VAL A 13 -9.041 -6.933 -5.115 1.00 0.00 N ATOM 169 CA VAL A 13 -9.432 -7.349 -3.773 1.00 0.00 C ATOM 170 C VAL A 13 -8.913 -8.745 -3.443 1.00 0.00 C ATOM 171 O VAL A 13 -9.461 -9.748 -3.900 1.00 0.00 O ATOM 172 CB VAL A 13 -10.964 -7.329 -3.599 1.00 0.00 C ATOM 173 CG1 VAL A 13 -11.342 -7.622 -2.155 1.00 0.00 C ATOM 174 CG2 VAL A 13 -11.535 -5.992 -4.045 1.00 0.00 C ATOM 0 H VAL A 13 -8.387 -6.150 -5.139 1.00 0.00 H new ATOM 0 HA VAL A 13 -8.984 -6.631 -3.086 1.00 0.00 H new ATOM 0 HB VAL A 13 -11.392 -8.109 -4.228 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -12.427 -7.604 -2.052 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -10.967 -8.606 -1.873 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -10.903 -6.867 -1.503 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -12.617 -5.997 -3.915 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -11.101 -5.192 -3.445 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -11.297 -5.827 -5.096 1.00 0.00 H new ATOM 184 N THR A 14 -7.855 -8.797 -2.639 1.00 0.00 N ATOM 185 CA THR A 14 -7.258 -10.064 -2.229 1.00 0.00 C ATOM 186 C THR A 14 -6.635 -10.797 -3.414 1.00 0.00 C ATOM 187 O THR A 14 -6.825 -10.416 -4.569 1.00 0.00 O ATOM 188 CB THR A 14 -8.300 -10.962 -1.555 1.00 0.00 C ATOM 189 OG1 THR A 14 -9.490 -10.244 -1.284 1.00 0.00 O ATOM 190 CG2 THR A 14 -7.820 -11.557 -0.249 1.00 0.00 C ATOM 0 H THR A 14 -7.392 -7.972 -2.257 1.00 0.00 H new ATOM 0 HA THR A 14 -6.469 -9.834 -1.513 1.00 0.00 H new ATOM 0 HB THR A 14 -8.481 -11.770 -2.264 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.140 -10.839 -0.855 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.605 -12.182 0.176 1.00 0.00 H new ATOM 0 HG22 THR A 14 -6.932 -12.163 -0.430 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.577 -10.755 0.448 1.00 0.00 H new ATOM 198 N CYS A 15 -5.888 -11.852 -3.107 1.00 0.00 N ATOM 199 CA CYS A 15 -5.223 -12.656 -4.124 1.00 0.00 C ATOM 200 C CYS A 15 -6.232 -13.467 -4.935 1.00 0.00 C ATOM 201 O CYS A 15 -7.146 -14.067 -4.373 1.00 0.00 O ATOM 202 CB CYS A 15 -4.227 -13.606 -3.459 1.00 0.00 C ATOM 203 SG CYS A 15 -2.971 -14.276 -4.574 1.00 0.00 S ATOM 0 H CYS A 15 -5.727 -12.172 -2.152 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.700 -11.981 -4.801 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -3.729 -13.079 -2.646 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.777 -14.434 -3.012 1.00 0.00 H new ATOM 0 HG CYS A 15 -2.641 -15.473 -4.187 1.00 0.00 H new ATOM 209 N PRO A 16 -6.072 -13.510 -6.270 1.00 0.00 N ATOM 210 CA PRO A 16 -6.971 -14.270 -7.143 1.00 0.00 C ATOM 211 C PRO A 16 -6.852 -15.776 -6.914 1.00 0.00 C ATOM 212 O PRO A 16 -7.761 -16.538 -7.247 1.00 0.00 O ATOM 213 CB PRO A 16 -6.499 -13.904 -8.553 1.00 0.00 C ATOM 214 CG PRO A 16 -5.078 -13.497 -8.382 1.00 0.00 C ATOM 215 CD PRO A 16 -5.002 -12.838 -7.034 1.00 0.00 C ATOM 0 HA PRO A 16 -8.018 -14.031 -6.959 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.589 -14.751 -9.233 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.095 -13.094 -8.972 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -4.415 -14.360 -8.433 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -4.770 -12.811 -9.171 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -4.026 -12.980 -6.570 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -5.169 -11.763 -7.101 1.00 0.00 H new ATOM 223 N ASN A 17 -5.727 -16.196 -6.338 1.00 0.00 N ATOM 224 CA ASN A 17 -5.485 -17.608 -6.059 1.00 0.00 C ATOM 225 C ASN A 17 -5.483 -17.876 -4.554 1.00 0.00 C ATOM 226 O ASN A 17 -5.573 -19.025 -4.121 1.00 0.00 O ATOM 227 CB ASN A 17 -4.152 -18.047 -6.670 1.00 0.00 C ATOM 228 CG ASN A 17 -4.335 -18.874 -7.926 1.00 0.00 C ATOM 229 OD1 ASN A 17 -5.239 -18.622 -8.723 1.00 0.00 O ATOM 230 ND2 ASN A 17 -3.475 -19.868 -8.111 1.00 0.00 N ATOM 0 H ASN A 17 -4.968 -15.576 -6.055 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.292 -18.186 -6.509 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.555 -17.165 -6.903 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -3.592 -18.626 -5.936 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.548 -20.458 -8.940 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -2.741 -20.041 -7.425 1.00 0.00 H new ATOM 237 N HIS A 18 -5.386 -16.811 -3.763 1.00 0.00 N ATOM 238 CA HIS A 18 -5.379 -16.937 -2.311 1.00 0.00 C ATOM 239 C HIS A 18 -6.384 -15.973 -1.681 1.00 0.00 C ATOM 240 O HIS A 18 -6.033 -14.852 -1.313 1.00 0.00 O ATOM 241 CB HIS A 18 -3.984 -16.652 -1.752 1.00 0.00 C ATOM 242 CG HIS A 18 -2.937 -17.634 -2.178 1.00 0.00 C ATOM 243 ND1 HIS A 18 -1.729 -17.250 -2.716 1.00 0.00 N ATOM 244 CD2 HIS A 18 -2.900 -18.984 -2.099 1.00 0.00 C ATOM 245 CE1 HIS A 18 -0.989 -18.320 -2.945 1.00 0.00 C ATOM 246 NE2 HIS A 18 -1.677 -19.385 -2.582 1.00 0.00 N ATOM 0 H HIS A 18 -5.311 -15.853 -4.104 1.00 0.00 H new ATOM 0 HA HIS A 18 -5.662 -17.960 -2.063 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -3.677 -15.654 -2.064 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -4.036 -16.644 -0.663 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.684 -19.626 -1.726 1.00 0.00 H new ATOM 0 HE1 HIS A 18 0.009 -18.322 -3.359 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -1.354 -20.350 -2.649 1.00 0.00 H new ATOM 255 N PRO A 19 -7.650 -16.395 -1.543 1.00 0.00 N ATOM 256 CA PRO A 19 -8.696 -15.558 -0.951 1.00 0.00 C ATOM 257 C PRO A 19 -8.363 -15.157 0.479 1.00 0.00 C ATOM 258 O PRO A 19 -8.638 -14.035 0.901 1.00 0.00 O ATOM 259 CB PRO A 19 -9.946 -16.445 -0.987 1.00 0.00 C ATOM 260 CG PRO A 19 -9.438 -17.836 -1.165 1.00 0.00 C ATOM 261 CD PRO A 19 -8.160 -17.716 -1.942 1.00 0.00 C ATOM 0 HA PRO A 19 -8.820 -14.620 -1.492 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -10.521 -16.351 -0.066 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -10.607 -16.160 -1.806 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.264 -18.314 -0.201 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.163 -18.450 -1.699 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.459 -18.512 -1.690 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.335 -17.773 -3.016 1.00 0.00 H new ATOM 269 N ASP A 20 -7.771 -16.085 1.222 1.00 0.00 N ATOM 270 CA ASP A 20 -7.402 -15.832 2.608 1.00 0.00 C ATOM 271 C ASP A 20 -6.168 -14.938 2.697 1.00 0.00 C ATOM 272 O ASP A 20 -6.085 -14.066 3.561 1.00 0.00 O ATOM 273 CB ASP A 20 -7.145 -17.152 3.335 1.00 0.00 C ATOM 274 CG ASP A 20 -8.423 -17.789 3.844 1.00 0.00 C ATOM 275 OD1 ASP A 20 -9.008 -17.254 4.810 1.00 0.00 O ATOM 276 OD2 ASP A 20 -8.840 -18.819 3.277 1.00 0.00 O ATOM 0 H ASP A 20 -7.537 -17.019 0.887 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.232 -15.314 3.088 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.641 -17.844 2.660 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.471 -16.977 4.173 1.00 0.00 H new ATOM 281 N ALA A 21 -5.210 -15.162 1.801 1.00 0.00 N ATOM 282 CA ALA A 21 -3.984 -14.373 1.784 1.00 0.00 C ATOM 283 C ALA A 21 -4.252 -12.951 1.307 1.00 0.00 C ATOM 284 O ALA A 21 -4.240 -12.672 0.107 1.00 0.00 O ATOM 285 CB ALA A 21 -2.945 -15.041 0.906 1.00 0.00 C ATOM 0 H ALA A 21 -5.260 -15.882 1.080 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.601 -14.317 2.803 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.034 -14.443 0.901 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.724 -16.035 1.295 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.328 -15.126 -0.111 1.00 0.00 H new ATOM 291 N ILE A 22 -4.517 -12.067 2.260 1.00 0.00 N ATOM 292 CA ILE A 22 -4.821 -10.671 1.960 1.00 0.00 C ATOM 293 C ILE A 22 -3.568 -9.858 1.635 1.00 0.00 C ATOM 294 O ILE A 22 -3.193 -8.960 2.387 1.00 0.00 O ATOM 295 CB ILE A 22 -5.577 -9.989 3.121 1.00 0.00 C ATOM 296 CG1 ILE A 22 -6.610 -10.941 3.729 1.00 0.00 C ATOM 297 CG2 ILE A 22 -6.252 -8.717 2.632 1.00 0.00 C ATOM 298 CD1 ILE A 22 -7.603 -11.481 2.722 1.00 0.00 C ATOM 0 H ILE A 22 -4.528 -12.293 3.255 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.459 -10.691 1.077 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.856 -9.729 3.896 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.090 -11.776 4.198 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -7.152 -10.420 4.518 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.782 -8.245 3.459 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.499 -8.031 2.245 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.960 -8.962 1.840 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -8.304 -12.148 3.224 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.150 -10.653 2.270 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.071 -12.031 1.946 1.00 0.00 H new ATOM 310 N LEU A 23 -2.939 -10.186 0.495 1.00 0.00 N ATOM 311 CA LEU A 23 -1.724 -9.498 0.030 1.00 0.00 C ATOM 312 C LEU A 23 -1.382 -8.321 0.929 1.00 0.00 C ATOM 313 O LEU A 23 -2.019 -7.273 0.874 1.00 0.00 O ATOM 314 CB LEU A 23 -1.890 -9.012 -1.412 1.00 0.00 C ATOM 315 CG LEU A 23 -1.357 -9.965 -2.481 1.00 0.00 C ATOM 316 CD1 LEU A 23 -2.477 -10.861 -2.991 1.00 0.00 C ATOM 317 CD2 LEU A 23 -0.719 -9.184 -3.625 1.00 0.00 C ATOM 0 H LEU A 23 -3.256 -10.930 -0.126 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.906 -10.218 0.070 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.949 -8.835 -1.600 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.383 -8.053 -1.517 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.588 -10.597 -2.036 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.085 -11.536 -3.752 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.882 -11.444 -2.164 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.267 -10.246 -3.423 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.345 -9.880 -4.376 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.463 -8.527 -4.076 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.108 -8.586 -3.241 1.00 0.00 H new ATOM 329 N VAL A 24 -0.400 -8.514 1.779 1.00 0.00 N ATOM 330 CA VAL A 24 -0.003 -7.481 2.713 1.00 0.00 C ATOM 331 C VAL A 24 0.825 -6.401 2.040 1.00 0.00 C ATOM 332 O VAL A 24 1.312 -6.571 0.926 1.00 0.00 O ATOM 333 CB VAL A 24 0.753 -8.093 3.899 1.00 0.00 C ATOM 334 CG1 VAL A 24 0.815 -7.118 5.065 1.00 0.00 C ATOM 335 CG2 VAL A 24 0.069 -9.394 4.302 1.00 0.00 C ATOM 0 H VAL A 24 0.140 -9.377 1.844 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.910 -7.005 3.087 1.00 0.00 H new ATOM 0 HB VAL A 24 1.781 -8.306 3.605 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.356 -7.575 5.893 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.330 -6.210 4.753 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.197 -6.869 5.386 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.599 -9.838 5.145 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.962 -9.189 4.589 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.081 -10.087 3.461 1.00 0.00 H new ATOM 345 N GLU A 25 0.938 -5.274 2.720 1.00 0.00 N ATOM 346 CA GLU A 25 1.652 -4.130 2.213 1.00 0.00 C ATOM 347 C GLU A 25 3.114 -4.450 1.947 1.00 0.00 C ATOM 348 O GLU A 25 3.513 -5.612 1.862 1.00 0.00 O ATOM 349 CB GLU A 25 1.513 -2.967 3.204 1.00 0.00 C ATOM 350 CG GLU A 25 0.442 -1.962 2.808 1.00 0.00 C ATOM 351 CD GLU A 25 0.701 -1.330 1.454 1.00 0.00 C ATOM 352 OE1 GLU A 25 1.698 -1.705 0.802 1.00 0.00 O ATOM 353 OE2 GLU A 25 -0.097 -0.460 1.043 1.00 0.00 O ATOM 0 H GLU A 25 0.532 -5.132 3.645 1.00 0.00 H new ATOM 0 HA GLU A 25 1.215 -3.843 1.256 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.279 -3.366 4.191 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.471 -2.453 3.287 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.528 -2.459 2.792 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.387 -1.179 3.565 1.00 0.00 H new ATOM 360 N ASP A 26 3.889 -3.392 1.794 1.00 0.00 N ATOM 361 CA ASP A 26 5.308 -3.488 1.510 1.00 0.00 C ATOM 362 C ASP A 26 5.982 -4.658 2.232 1.00 0.00 C ATOM 363 O ASP A 26 6.059 -4.693 3.459 1.00 0.00 O ATOM 364 CB ASP A 26 5.999 -2.167 1.867 1.00 0.00 C ATOM 365 CG ASP A 26 7.494 -2.186 1.606 1.00 0.00 C ATOM 366 OD1 ASP A 26 8.172 -3.117 2.092 1.00 0.00 O ATOM 367 OD2 ASP A 26 7.986 -1.268 0.919 1.00 0.00 O ATOM 0 H ASP A 26 3.547 -2.433 1.864 1.00 0.00 H new ATOM 0 HA ASP A 26 5.412 -3.682 0.442 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.546 -1.360 1.291 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.823 -1.945 2.920 1.00 0.00 H new ATOM 372 N TYR A 27 6.487 -5.600 1.440 1.00 0.00 N ATOM 373 CA TYR A 27 7.179 -6.773 1.960 1.00 0.00 C ATOM 374 C TYR A 27 7.554 -7.714 0.822 1.00 0.00 C ATOM 375 O TYR A 27 6.791 -7.897 -0.125 1.00 0.00 O ATOM 376 CB TYR A 27 6.319 -7.512 2.989 1.00 0.00 C ATOM 377 CG TYR A 27 7.121 -8.163 4.094 1.00 0.00 C ATOM 378 CD1 TYR A 27 8.164 -7.487 4.716 1.00 0.00 C ATOM 379 CD2 TYR A 27 6.838 -9.458 4.512 1.00 0.00 C ATOM 380 CE1 TYR A 27 8.900 -8.082 5.722 1.00 0.00 C ATOM 381 CE2 TYR A 27 7.569 -10.060 5.517 1.00 0.00 C ATOM 382 CZ TYR A 27 8.598 -9.369 6.119 1.00 0.00 C ATOM 383 OH TYR A 27 9.329 -9.965 7.121 1.00 0.00 O ATOM 0 H TYR A 27 6.428 -5.571 0.422 1.00 0.00 H new ATOM 0 HA TYR A 27 8.088 -6.433 2.456 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.612 -6.810 3.430 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.733 -8.276 2.478 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.403 -6.480 4.408 1.00 0.00 H new ATOM 0 HD2 TYR A 27 6.032 -10.003 4.043 1.00 0.00 H new ATOM 0 HE1 TYR A 27 9.707 -7.543 6.195 1.00 0.00 H new ATOM 0 HE2 TYR A 27 7.335 -11.067 5.830 1.00 0.00 H new ATOM 0 HH TYR A 27 8.988 -10.870 7.281 1.00 0.00 H new ATOM 393 N ARG A 28 8.743 -8.295 0.916 1.00 0.00 N ATOM 394 CA ARG A 28 9.231 -9.205 -0.112 1.00 0.00 C ATOM 395 C ARG A 28 9.426 -8.473 -1.439 1.00 0.00 C ATOM 396 O ARG A 28 9.547 -9.098 -2.493 1.00 0.00 O ATOM 397 CB ARG A 28 8.251 -10.364 -0.298 1.00 0.00 C ATOM 398 CG ARG A 28 8.853 -11.569 -1.000 1.00 0.00 C ATOM 399 CD ARG A 28 10.082 -12.089 -0.270 1.00 0.00 C ATOM 400 NE ARG A 28 11.322 -11.635 -0.898 1.00 0.00 N ATOM 401 CZ ARG A 28 12.503 -12.226 -0.722 1.00 0.00 C ATOM 402 NH1 ARG A 28 12.611 -13.290 0.064 1.00 0.00 N ATOM 403 NH2 ARG A 28 13.578 -11.750 -1.335 1.00 0.00 N ATOM 0 H ARG A 28 9.387 -8.152 1.694 1.00 0.00 H new ATOM 0 HA ARG A 28 10.195 -9.598 0.211 1.00 0.00 H new ATOM 0 HB2 ARG A 28 7.878 -10.673 0.679 1.00 0.00 H new ATOM 0 HB3 ARG A 28 7.392 -10.013 -0.870 1.00 0.00 H new ATOM 0 HG2 ARG A 28 8.107 -12.361 -1.067 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.123 -11.298 -2.021 1.00 0.00 H new ATOM 0 HD2 ARG A 28 10.057 -11.755 0.767 1.00 0.00 H new ATOM 0 HD3 ARG A 28 10.061 -13.179 -0.254 1.00 0.00 H new ATOM 0 HE ARG A 28 11.280 -10.818 -1.507 1.00 0.00 H new ATOM 0 HH11 ARG A 28 11.787 -13.660 0.538 1.00 0.00 H new ATOM 0 HH12 ARG A 28 13.518 -13.738 0.194 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.500 -10.933 -1.940 1.00 0.00 H new ATOM 0 HH22 ARG A 28 14.483 -12.201 -1.201 1.00 0.00 H new ATOM 417 N ALA A 29 9.457 -7.142 -1.379 1.00 0.00 N ATOM 418 CA ALA A 29 9.636 -6.315 -2.568 1.00 0.00 C ATOM 419 C ALA A 29 9.475 -4.842 -2.220 1.00 0.00 C ATOM 420 O ALA A 29 10.446 -4.086 -2.216 1.00 0.00 O ATOM 421 CB ALA A 29 8.652 -6.719 -3.657 1.00 0.00 C ATOM 0 H ALA A 29 9.360 -6.612 -0.513 1.00 0.00 H new ATOM 0 HA ALA A 29 10.646 -6.472 -2.947 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.802 -6.090 -4.535 1.00 0.00 H new ATOM 0 HB2 ALA A 29 8.815 -7.763 -3.926 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.633 -6.594 -3.291 1.00 0.00 H new ATOM 427 N GLY A 30 8.242 -4.438 -1.915 1.00 0.00 N ATOM 428 CA GLY A 30 7.992 -3.055 -1.556 1.00 0.00 C ATOM 429 C GLY A 30 6.530 -2.660 -1.667 1.00 0.00 C ATOM 430 O GLY A 30 6.069 -1.761 -0.962 1.00 0.00 O ATOM 0 H GLY A 30 7.419 -5.041 -1.911 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.330 -2.885 -0.534 1.00 0.00 H new ATOM 0 HA3 GLY A 30 8.586 -2.407 -2.200 1.00 0.00 H new ATOM 434 N ASP A 31 5.798 -3.328 -2.553 1.00 0.00 N ATOM 435 CA ASP A 31 4.379 -3.036 -2.753 1.00 0.00 C ATOM 436 C ASP A 31 3.507 -3.971 -1.902 1.00 0.00 C ATOM 437 O ASP A 31 3.587 -3.931 -0.676 1.00 0.00 O ATOM 438 CB ASP A 31 4.034 -3.076 -4.254 1.00 0.00 C ATOM 439 CG ASP A 31 4.855 -4.088 -5.031 1.00 0.00 C ATOM 440 OD1 ASP A 31 6.095 -3.945 -5.058 1.00 0.00 O ATOM 441 OD2 ASP A 31 4.263 -5.018 -5.613 1.00 0.00 O ATOM 0 H ASP A 31 6.162 -4.075 -3.145 1.00 0.00 H new ATOM 0 HA ASP A 31 4.163 -2.024 -2.409 1.00 0.00 H new ATOM 0 HB2 ASP A 31 2.976 -3.310 -4.371 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.190 -2.086 -4.682 1.00 0.00 H new ATOM 446 N MET A 32 2.668 -4.789 -2.518 1.00 0.00 N ATOM 447 CA MET A 32 1.798 -5.685 -1.769 1.00 0.00 C ATOM 448 C MET A 32 2.197 -7.138 -2.000 1.00 0.00 C ATOM 449 O MET A 32 2.328 -7.569 -3.139 1.00 0.00 O ATOM 450 CB MET A 32 0.367 -5.462 -2.214 1.00 0.00 C ATOM 451 CG MET A 32 -0.274 -4.226 -1.604 1.00 0.00 C ATOM 452 SD MET A 32 -2.033 -4.102 -1.979 1.00 0.00 S ATOM 453 CE MET A 32 -2.655 -3.382 -0.462 1.00 0.00 C ATOM 0 H MET A 32 2.570 -4.852 -3.531 1.00 0.00 H new ATOM 0 HA MET A 32 1.893 -5.473 -0.704 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.342 -5.375 -3.300 1.00 0.00 H new ATOM 0 HB3 MET A 32 -0.227 -6.337 -1.950 1.00 0.00 H new ATOM 0 HG2 MET A 32 -0.137 -4.246 -0.523 1.00 0.00 H new ATOM 0 HG3 MET A 32 0.236 -3.336 -1.973 1.00 0.00 H new ATOM 0 HE1 MET A 32 -3.733 -3.244 -0.540 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.434 -4.046 0.373 1.00 0.00 H new ATOM 0 HE3 MET A 32 -2.177 -2.417 -0.294 1.00 0.00 H new ATOM 463 N ILE A 33 2.421 -7.872 -0.919 1.00 0.00 N ATOM 464 CA ILE A 33 2.856 -9.261 -0.997 1.00 0.00 C ATOM 465 C ILE A 33 1.794 -10.224 -0.484 1.00 0.00 C ATOM 466 O ILE A 33 1.228 -10.026 0.588 1.00 0.00 O ATOM 467 CB ILE A 33 4.144 -9.418 -0.160 1.00 0.00 C ATOM 468 CG1 ILE A 33 4.713 -10.839 -0.242 1.00 0.00 C ATOM 469 CG2 ILE A 33 3.886 -9.015 1.285 1.00 0.00 C ATOM 470 CD1 ILE A 33 4.187 -11.787 0.821 1.00 0.00 C ATOM 0 H ILE A 33 2.307 -7.524 0.033 1.00 0.00 H new ATOM 0 HA ILE A 33 3.038 -9.507 -2.043 1.00 0.00 H new ATOM 0 HB ILE A 33 4.896 -8.751 -0.581 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.486 -11.252 -1.225 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.799 -10.788 -0.161 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.802 -9.130 1.864 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.563 -7.975 1.320 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.108 -9.651 1.707 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.641 -12.769 0.689 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.438 -11.401 1.809 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.104 -11.872 0.729 1.00 0.00 H new ATOM 482 N CYS A 34 1.555 -11.295 -1.233 1.00 0.00 N ATOM 483 CA CYS A 34 0.598 -12.304 -0.817 1.00 0.00 C ATOM 484 C CYS A 34 1.315 -13.317 0.052 1.00 0.00 C ATOM 485 O CYS A 34 1.946 -14.220 -0.468 1.00 0.00 O ATOM 486 CB CYS A 34 0.003 -13.003 -2.032 1.00 0.00 C ATOM 487 SG CYS A 34 -1.370 -14.109 -1.644 1.00 0.00 S ATOM 0 H CYS A 34 2.010 -11.483 -2.126 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.211 -11.832 -0.260 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.340 -12.249 -2.740 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.787 -13.574 -2.530 1.00 0.00 H new ATOM 0 HG CYS A 34 -1.886 -14.564 -2.747 1.00 0.00 H new ATOM 493 N PRO A 35 1.225 -13.190 1.389 1.00 0.00 N ATOM 494 CA PRO A 35 1.888 -14.094 2.336 1.00 0.00 C ATOM 495 C PRO A 35 1.862 -15.557 1.905 1.00 0.00 C ATOM 496 O PRO A 35 2.641 -16.369 2.402 1.00 0.00 O ATOM 497 CB PRO A 35 1.095 -13.899 3.639 1.00 0.00 C ATOM 498 CG PRO A 35 0.005 -12.925 3.315 1.00 0.00 C ATOM 499 CD PRO A 35 0.464 -12.168 2.103 1.00 0.00 C ATOM 0 HA PRO A 35 2.949 -13.861 2.423 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.682 -14.845 3.990 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.737 -13.517 4.433 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.933 -13.443 3.118 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.174 -12.249 4.151 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.372 -11.793 1.513 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.080 -11.308 2.366 1.00 0.00 H new ATOM 507 N GLU A 36 0.955 -15.892 1.006 1.00 0.00 N ATOM 508 CA GLU A 36 0.815 -17.256 0.537 1.00 0.00 C ATOM 509 C GLU A 36 1.777 -17.533 -0.609 1.00 0.00 C ATOM 510 O GLU A 36 2.742 -18.272 -0.448 1.00 0.00 O ATOM 511 CB GLU A 36 -0.628 -17.497 0.107 1.00 0.00 C ATOM 512 CG GLU A 36 -1.485 -18.131 1.191 1.00 0.00 C ATOM 513 CD GLU A 36 -0.983 -19.499 1.603 1.00 0.00 C ATOM 514 OE1 GLU A 36 -0.453 -20.223 0.735 1.00 0.00 O ATOM 515 OE2 GLU A 36 -1.119 -19.848 2.795 1.00 0.00 O ATOM 0 H GLU A 36 0.301 -15.233 0.584 1.00 0.00 H new ATOM 0 HA GLU A 36 1.063 -17.941 1.348 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.074 -16.548 -0.189 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.634 -18.140 -0.773 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.504 -17.477 2.063 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.511 -18.217 0.834 1.00 0.00 H new ATOM 522 N CYS A 37 1.563 -16.886 -1.745 1.00 0.00 N ATOM 523 CA CYS A 37 2.474 -17.048 -2.874 1.00 0.00 C ATOM 524 C CYS A 37 3.551 -15.998 -2.756 1.00 0.00 C ATOM 525 O CYS A 37 4.630 -16.119 -3.326 1.00 0.00 O ATOM 526 CB CYS A 37 1.757 -16.904 -4.223 1.00 0.00 C ATOM 527 SG CYS A 37 0.611 -15.509 -4.321 1.00 0.00 S ATOM 0 H CYS A 37 0.780 -16.253 -1.911 1.00 0.00 H new ATOM 0 HA CYS A 37 2.895 -18.053 -2.843 1.00 0.00 H new ATOM 0 HB2 CYS A 37 2.506 -16.798 -5.008 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.208 -17.823 -4.428 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.514 -15.831 -3.754 1.00 0.00 H new ATOM 533 N GLY A 38 3.217 -14.966 -1.996 1.00 0.00 N ATOM 534 CA GLY A 38 4.105 -13.864 -1.755 1.00 0.00 C ATOM 535 C GLY A 38 4.302 -13.014 -2.980 1.00 0.00 C ATOM 536 O GLY A 38 5.362 -12.424 -3.183 1.00 0.00 O ATOM 0 H GLY A 38 2.313 -14.879 -1.531 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.707 -13.249 -0.948 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.070 -14.244 -1.420 1.00 0.00 H new ATOM 540 N LEU A 39 3.254 -12.937 -3.787 1.00 0.00 N ATOM 541 CA LEU A 39 3.272 -12.138 -4.993 1.00 0.00 C ATOM 542 C LEU A 39 3.244 -10.669 -4.614 1.00 0.00 C ATOM 543 O LEU A 39 2.569 -10.293 -3.657 1.00 0.00 O ATOM 544 CB LEU A 39 2.053 -12.477 -5.851 1.00 0.00 C ATOM 545 CG LEU A 39 0.783 -11.715 -5.471 1.00 0.00 C ATOM 546 CD1 LEU A 39 0.560 -10.567 -6.431 1.00 0.00 C ATOM 547 CD2 LEU A 39 -0.424 -12.630 -5.436 1.00 0.00 C ATOM 0 H LEU A 39 2.374 -13.426 -3.621 1.00 0.00 H new ATOM 0 HA LEU A 39 4.176 -12.350 -5.563 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.289 -12.269 -6.895 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.857 -13.547 -5.776 1.00 0.00 H new ATOM 0 HG LEU A 39 0.916 -11.314 -4.466 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.347 -10.030 -6.152 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.411 -9.887 -6.389 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.455 -10.955 -7.444 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.309 -12.055 -5.162 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.571 -13.076 -6.420 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.262 -13.418 -4.701 1.00 0.00 H new ATOM 559 N VAL A 40 3.986 -9.849 -5.339 1.00 0.00 N ATOM 560 CA VAL A 40 4.049 -8.437 -5.046 1.00 0.00 C ATOM 561 C VAL A 40 3.321 -7.629 -6.104 1.00 0.00 C ATOM 562 O VAL A 40 3.607 -7.751 -7.295 1.00 0.00 O ATOM 563 CB VAL A 40 5.502 -7.940 -4.940 1.00 0.00 C ATOM 564 CG1 VAL A 40 5.585 -6.763 -3.982 1.00 0.00 C ATOM 565 CG2 VAL A 40 6.433 -9.062 -4.494 1.00 0.00 C ATOM 0 H VAL A 40 4.552 -10.143 -6.135 1.00 0.00 H new ATOM 0 HA VAL A 40 3.561 -8.295 -4.082 1.00 0.00 H new ATOM 0 HB VAL A 40 5.824 -7.611 -5.928 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.618 -6.420 -3.915 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.956 -5.951 -4.348 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.241 -7.072 -2.995 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.453 -8.684 -4.427 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.118 -9.430 -3.517 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.395 -9.876 -5.218 1.00 0.00 H new ATOM 575 N VAL A 41 2.401 -6.781 -5.666 1.00 0.00 N ATOM 576 CA VAL A 41 1.664 -5.931 -6.584 1.00 0.00 C ATOM 577 C VAL A 41 1.726 -4.482 -6.116 1.00 0.00 C ATOM 578 O VAL A 41 1.378 -4.187 -4.974 1.00 0.00 O ATOM 579 CB VAL A 41 0.169 -6.301 -6.713 1.00 0.00 C ATOM 580 CG1 VAL A 41 -0.324 -6.015 -8.121 1.00 0.00 C ATOM 581 CG2 VAL A 41 -0.086 -7.744 -6.356 1.00 0.00 C ATOM 0 H VAL A 41 2.149 -6.665 -4.684 1.00 0.00 H new ATOM 0 HA VAL A 41 2.139 -6.074 -7.554 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.384 -5.684 -6.005 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.378 -6.280 -8.198 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.199 -4.955 -8.342 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.251 -6.604 -8.835 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.149 -7.962 -6.460 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.484 -8.390 -7.023 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.222 -7.924 -5.326 1.00 0.00 H new ATOM 591 N GLY A 42 2.147 -3.583 -6.997 1.00 0.00 N ATOM 592 CA GLY A 42 2.223 -2.185 -6.637 1.00 0.00 C ATOM 593 C GLY A 42 3.530 -1.556 -7.058 1.00 0.00 C ATOM 594 O GLY A 42 4.362 -2.203 -7.694 1.00 0.00 O ATOM 0 H GLY A 42 2.436 -3.799 -7.951 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.397 -1.647 -7.102 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.104 -2.083 -5.558 1.00 0.00 H new ATOM 598 N ASP A 43 3.711 -0.292 -6.704 1.00 0.00 N ATOM 599 CA ASP A 43 4.923 0.431 -7.050 1.00 0.00 C ATOM 600 C ASP A 43 4.947 0.759 -8.540 1.00 0.00 C ATOM 601 O ASP A 43 5.542 0.033 -9.336 1.00 0.00 O ATOM 602 CB ASP A 43 6.168 -0.380 -6.668 1.00 0.00 C ATOM 603 CG ASP A 43 7.085 0.383 -5.732 1.00 0.00 C ATOM 604 OD1 ASP A 43 7.273 1.599 -5.945 1.00 0.00 O ATOM 605 OD2 ASP A 43 7.616 -0.238 -4.787 1.00 0.00 O ATOM 0 H ASP A 43 3.031 0.254 -6.176 1.00 0.00 H new ATOM 0 HA ASP A 43 4.931 1.364 -6.487 1.00 0.00 H new ATOM 0 HB2 ASP A 43 5.861 -1.312 -6.193 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.716 -0.648 -7.571 1.00 0.00 H new ATOM 610 N ARG A 44 4.295 1.858 -8.912 1.00 0.00 N ATOM 611 CA ARG A 44 4.246 2.280 -10.309 1.00 0.00 C ATOM 612 C ARG A 44 4.832 3.677 -10.483 1.00 0.00 C ATOM 613 O ARG A 44 5.952 3.830 -10.972 1.00 0.00 O ATOM 614 CB ARG A 44 2.808 2.237 -10.845 1.00 0.00 C ATOM 615 CG ARG A 44 1.741 2.589 -9.816 1.00 0.00 C ATOM 616 CD ARG A 44 0.784 3.649 -10.344 1.00 0.00 C ATOM 617 NE ARG A 44 0.340 3.356 -11.704 1.00 0.00 N ATOM 618 CZ ARG A 44 -0.138 4.273 -12.543 1.00 0.00 C ATOM 619 NH1 ARG A 44 -0.252 5.538 -12.159 1.00 0.00 N ATOM 620 NH2 ARG A 44 -0.508 3.923 -13.767 1.00 0.00 N ATOM 0 H ARG A 44 3.795 2.471 -8.268 1.00 0.00 H new ATOM 0 HA ARG A 44 4.852 1.581 -10.885 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.726 2.926 -11.686 1.00 0.00 H new ATOM 0 HB3 ARG A 44 2.607 1.238 -11.231 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.181 1.692 -9.550 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.218 2.950 -8.905 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.082 3.715 -9.686 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.274 4.622 -10.324 1.00 0.00 H new ATOM 0 HE ARG A 44 0.400 2.392 -12.031 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.027 5.812 -11.217 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.619 6.236 -12.806 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.427 2.951 -14.066 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.874 4.625 -14.410 1.00 0.00 H new ATOM 634 N VAL A 45 4.077 4.696 -10.080 1.00 0.00 N ATOM 635 CA VAL A 45 4.535 6.077 -10.196 1.00 0.00 C ATOM 636 C VAL A 45 3.535 7.048 -9.570 1.00 0.00 C ATOM 637 O VAL A 45 3.713 7.479 -8.433 1.00 0.00 O ATOM 638 CB VAL A 45 4.787 6.479 -11.668 1.00 0.00 C ATOM 639 CG1 VAL A 45 6.262 6.340 -12.013 1.00 0.00 C ATOM 640 CG2 VAL A 45 3.933 5.649 -12.617 1.00 0.00 C ATOM 0 H VAL A 45 3.148 4.592 -9.672 1.00 0.00 H new ATOM 0 HA VAL A 45 5.479 6.136 -9.654 1.00 0.00 H new ATOM 0 HB VAL A 45 4.500 7.524 -11.787 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.421 6.627 -13.052 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.850 6.988 -11.363 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.573 5.305 -11.871 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.131 5.953 -13.645 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.177 4.593 -12.498 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.879 5.805 -12.389 1.00 0.00 H new ATOM 650 N ILE A 46 2.485 7.387 -10.324 1.00 0.00 N ATOM 651 CA ILE A 46 1.446 8.311 -9.857 1.00 0.00 C ATOM 652 C ILE A 46 2.050 9.540 -9.160 1.00 0.00 C ATOM 653 O ILE A 46 2.220 10.587 -9.782 1.00 0.00 O ATOM 654 CB ILE A 46 0.408 7.604 -8.935 1.00 0.00 C ATOM 655 CG1 ILE A 46 -0.296 8.605 -8.010 1.00 0.00 C ATOM 656 CG2 ILE A 46 1.055 6.487 -8.123 1.00 0.00 C ATOM 657 CD1 ILE A 46 -1.712 8.207 -7.655 1.00 0.00 C ATOM 0 H ILE A 46 2.331 7.032 -11.268 1.00 0.00 H new ATOM 0 HA ILE A 46 0.915 8.657 -10.744 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.346 7.158 -9.584 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.284 8.710 -7.093 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.312 9.583 -8.491 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.303 6.015 -7.491 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.479 5.744 -8.799 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.846 6.902 -7.498 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.148 8.960 -6.999 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.307 8.130 -8.565 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.702 7.244 -7.145 1.00 0.00 H new ATOM 669 N ASP A 47 2.370 9.408 -7.875 1.00 0.00 N ATOM 670 CA ASP A 47 2.953 10.507 -7.111 1.00 0.00 C ATOM 671 C ASP A 47 1.952 11.644 -6.932 1.00 0.00 C ATOM 672 O ASP A 47 1.240 12.013 -7.867 1.00 0.00 O ATOM 673 CB ASP A 47 4.221 11.025 -7.796 1.00 0.00 C ATOM 674 CG ASP A 47 5.484 10.484 -7.156 1.00 0.00 C ATOM 675 OD1 ASP A 47 5.512 10.353 -5.914 1.00 0.00 O ATOM 676 OD2 ASP A 47 6.446 10.190 -7.898 1.00 0.00 O ATOM 0 H ASP A 47 2.235 8.550 -7.341 1.00 0.00 H new ATOM 0 HA ASP A 47 3.216 10.125 -6.125 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.202 10.745 -8.849 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.234 12.114 -7.755 1.00 0.00 H new ATOM 681 N VAL A 48 1.907 12.195 -5.724 1.00 0.00 N ATOM 682 CA VAL A 48 0.998 13.293 -5.413 1.00 0.00 C ATOM 683 C VAL A 48 1.737 14.426 -4.708 1.00 0.00 C ATOM 684 O VAL A 48 1.688 14.545 -3.483 1.00 0.00 O ATOM 685 CB VAL A 48 -0.182 12.831 -4.525 1.00 0.00 C ATOM 686 CG1 VAL A 48 -1.433 12.626 -5.364 1.00 0.00 C ATOM 687 CG2 VAL A 48 0.173 11.559 -3.766 1.00 0.00 C ATOM 0 H VAL A 48 2.491 11.899 -4.942 1.00 0.00 H new ATOM 0 HA VAL A 48 0.600 13.649 -6.363 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.383 13.614 -3.794 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.252 12.301 -4.722 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.703 13.564 -5.850 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.242 11.866 -6.122 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.673 11.255 -3.149 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.408 10.766 -4.475 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.038 11.745 -3.129 1.00 0.00 H new ATOM 697 N GLY A 49 2.422 15.253 -5.489 1.00 0.00 N ATOM 698 CA GLY A 49 3.164 16.365 -4.924 1.00 0.00 C ATOM 699 C GLY A 49 2.280 17.323 -4.153 1.00 0.00 C ATOM 700 O GLY A 49 2.082 17.165 -2.948 1.00 0.00 O ATOM 0 H GLY A 49 2.477 15.173 -6.504 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.940 15.980 -4.263 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.667 16.906 -5.725 1.00 0.00 H new ATOM 704 N SER A 50 1.748 18.323 -4.848 1.00 0.00 N ATOM 705 CA SER A 50 0.880 19.315 -4.222 1.00 0.00 C ATOM 706 C SER A 50 -0.356 18.655 -3.619 1.00 0.00 C ATOM 707 O SER A 50 -1.402 18.568 -4.262 1.00 0.00 O ATOM 708 CB SER A 50 0.460 20.372 -5.245 1.00 0.00 C ATOM 709 OG SER A 50 0.107 21.587 -4.608 1.00 0.00 O ATOM 0 H SER A 50 1.903 18.468 -5.846 1.00 0.00 H new ATOM 0 HA SER A 50 1.440 19.796 -3.420 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.276 20.549 -5.946 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.385 20.004 -5.827 1.00 0.00 H new ATOM 0 HG SER A 50 -0.156 22.246 -5.284 1.00 0.00 H new ATOM 715 N GLU A 51 -0.228 18.192 -2.379 1.00 0.00 N ATOM 716 CA GLU A 51 -1.336 17.541 -1.689 1.00 0.00 C ATOM 717 C GLU A 51 -0.936 17.138 -0.271 1.00 0.00 C ATOM 718 O GLU A 51 -1.335 16.081 0.218 1.00 0.00 O ATOM 719 CB GLU A 51 -1.799 16.308 -2.469 1.00 0.00 C ATOM 720 CG GLU A 51 -3.282 16.013 -2.314 1.00 0.00 C ATOM 721 CD GLU A 51 -3.556 14.906 -1.316 1.00 0.00 C ATOM 722 OE1 GLU A 51 -3.646 15.206 -0.106 1.00 0.00 O ATOM 723 OE2 GLU A 51 -3.680 13.740 -1.743 1.00 0.00 O ATOM 0 H GLU A 51 0.631 18.256 -1.832 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.158 18.254 -1.627 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.574 16.451 -3.526 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.228 15.442 -2.136 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.797 16.919 -1.996 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.696 15.734 -3.283 1.00 0.00 H new ATOM 730 N TRP A 52 -0.148 17.986 0.382 1.00 0.00 N ATOM 731 CA TRP A 52 0.301 17.714 1.742 1.00 0.00 C ATOM 732 C TRP A 52 1.132 16.427 1.788 1.00 0.00 C ATOM 733 O TRP A 52 1.865 16.127 0.846 1.00 0.00 O ATOM 734 CB TRP A 52 -0.907 17.619 2.682 1.00 0.00 C ATOM 735 CG TRP A 52 -1.885 18.742 2.507 1.00 0.00 C ATOM 736 CD1 TRP A 52 -1.620 19.994 2.031 1.00 0.00 C ATOM 737 CD2 TRP A 52 -3.283 18.714 2.811 1.00 0.00 C ATOM 738 NE1 TRP A 52 -2.769 20.746 2.019 1.00 0.00 N ATOM 739 CE2 TRP A 52 -3.805 19.983 2.493 1.00 0.00 C ATOM 740 CE3 TRP A 52 -4.149 17.741 3.320 1.00 0.00 C ATOM 741 CZ2 TRP A 52 -5.149 20.301 2.667 1.00 0.00 C ATOM 742 CZ3 TRP A 52 -5.482 18.059 3.492 1.00 0.00 C ATOM 743 CH2 TRP A 52 -5.971 19.329 3.167 1.00 0.00 C ATOM 0 H TRP A 52 0.192 18.865 -0.008 1.00 0.00 H new ATOM 0 HA TRP A 52 0.936 18.535 2.075 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -1.418 16.672 2.511 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -0.556 17.610 3.714 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -0.649 20.342 1.711 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -2.840 21.715 1.708 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -3.782 16.758 3.574 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -5.529 21.280 2.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -6.159 17.314 3.884 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -7.019 19.546 3.314 1.00 0.00 H new ATOM 754 N ARG A 53 1.022 15.671 2.883 1.00 0.00 N ATOM 755 CA ARG A 53 1.770 14.425 3.035 1.00 0.00 C ATOM 756 C ARG A 53 3.253 14.707 3.261 1.00 0.00 C ATOM 757 O ARG A 53 4.117 13.967 2.792 1.00 0.00 O ATOM 758 CB ARG A 53 1.581 13.526 1.807 1.00 0.00 C ATOM 759 CG ARG A 53 0.813 12.248 2.101 1.00 0.00 C ATOM 760 CD ARG A 53 1.616 11.306 2.983 1.00 0.00 C ATOM 761 NE ARG A 53 1.407 9.907 2.618 1.00 0.00 N ATOM 762 CZ ARG A 53 1.667 8.882 3.428 1.00 0.00 C ATOM 763 NH1 ARG A 53 2.147 9.095 4.648 1.00 0.00 N ATOM 764 NH2 ARG A 53 1.446 7.640 3.018 1.00 0.00 N ATOM 0 H ARG A 53 0.422 15.901 3.675 1.00 0.00 H new ATOM 0 HA ARG A 53 1.381 13.903 3.910 1.00 0.00 H new ATOM 0 HB2 ARG A 53 1.055 14.087 1.034 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.560 13.267 1.403 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.129 12.493 2.592 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.564 11.748 1.165 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.676 11.548 2.902 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.334 11.455 4.025 1.00 0.00 H new ATOM 0 HE ARG A 53 1.040 9.703 1.688 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.319 10.048 4.969 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.344 8.306 5.263 1.00 0.00 H new ATOM 0 HH21 ARG A 53 1.077 7.470 2.082 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.645 6.855 3.638 1.00 0.00 H new ATOM 778 N THR A 54 3.539 15.781 3.990 1.00 0.00 N ATOM 779 CA THR A 54 4.914 16.164 4.286 1.00 0.00 C ATOM 780 C THR A 54 5.050 16.602 5.741 1.00 0.00 C ATOM 781 O THR A 54 4.057 16.722 6.458 1.00 0.00 O ATOM 782 CB THR A 54 5.363 17.292 3.356 1.00 0.00 C ATOM 783 OG1 THR A 54 4.764 17.159 2.080 1.00 0.00 O ATOM 784 CG2 THR A 54 6.862 17.341 3.156 1.00 0.00 C ATOM 0 H THR A 54 2.835 16.403 4.387 1.00 0.00 H new ATOM 0 HA THR A 54 5.553 15.296 4.124 1.00 0.00 H new ATOM 0 HB THR A 54 5.047 18.213 3.846 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.063 17.891 1.501 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.113 18.163 2.486 1.00 0.00 H new ATOM 0 HG22 THR A 54 7.353 17.493 4.117 1.00 0.00 H new ATOM 0 HG23 THR A 54 7.202 16.401 2.720 1.00 0.00 H new ATOM 792 N PHE A 55 6.285 16.838 6.172 1.00 0.00 N ATOM 793 CA PHE A 55 6.545 17.260 7.545 1.00 0.00 C ATOM 794 C PHE A 55 6.141 18.718 7.754 1.00 0.00 C ATOM 795 O PHE A 55 6.975 19.570 8.061 1.00 0.00 O ATOM 796 CB PHE A 55 8.024 17.056 7.902 1.00 0.00 C ATOM 797 CG PHE A 55 8.982 17.851 7.054 1.00 0.00 C ATOM 798 CD1 PHE A 55 9.360 17.399 5.799 1.00 0.00 C ATOM 799 CD2 PHE A 55 9.508 19.047 7.517 1.00 0.00 C ATOM 800 CE1 PHE A 55 10.242 18.126 5.023 1.00 0.00 C ATOM 801 CE2 PHE A 55 10.391 19.777 6.745 1.00 0.00 C ATOM 802 CZ PHE A 55 10.759 19.315 5.496 1.00 0.00 C ATOM 0 H PHE A 55 7.119 16.745 5.593 1.00 0.00 H new ATOM 0 HA PHE A 55 5.940 16.642 8.208 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.174 17.325 8.948 1.00 0.00 H new ATOM 0 HB3 PHE A 55 8.266 15.997 7.807 1.00 0.00 H new ATOM 0 HD1 PHE A 55 8.961 16.468 5.424 1.00 0.00 H new ATOM 0 HD2 PHE A 55 9.224 19.412 8.493 1.00 0.00 H new ATOM 0 HE1 PHE A 55 10.527 17.764 4.046 1.00 0.00 H new ATOM 0 HE2 PHE A 55 10.793 20.708 7.117 1.00 0.00 H new ATOM 0 HZ PHE A 55 11.450 19.883 4.891 1.00 0.00 H new ATOM 812 N SER A 56 4.853 18.999 7.590 1.00 0.00 N ATOM 813 CA SER A 56 4.338 20.352 7.762 1.00 0.00 C ATOM 814 C SER A 56 4.999 21.314 6.779 1.00 0.00 C ATOM 815 O SER A 56 6.019 20.991 6.170 1.00 0.00 O ATOM 816 CB SER A 56 4.570 20.831 9.197 1.00 0.00 C ATOM 817 OG SER A 56 4.357 19.782 10.124 1.00 0.00 O ATOM 0 H SER A 56 4.147 18.308 7.338 1.00 0.00 H new ATOM 0 HA SER A 56 3.267 20.335 7.562 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.587 21.209 9.298 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.898 21.660 9.420 1.00 0.00 H new ATOM 0 HG SER A 56 4.513 20.112 11.033 1.00 0.00 H new ATOM 823 N ASN A 57 4.412 22.498 6.632 1.00 0.00 N ATOM 824 CA ASN A 57 4.945 23.508 5.723 1.00 0.00 C ATOM 825 C ASN A 57 5.431 24.731 6.492 1.00 0.00 C ATOM 826 O ASN A 57 5.259 24.821 7.708 1.00 0.00 O ATOM 827 CB ASN A 57 3.879 23.921 4.706 1.00 0.00 C ATOM 828 CG ASN A 57 4.476 24.283 3.360 1.00 0.00 C ATOM 829 OD1 ASN A 57 5.042 23.436 2.669 1.00 0.00 O ATOM 830 ND2 ASN A 57 4.353 25.550 2.981 1.00 0.00 N ATOM 0 H ASN A 57 3.568 22.782 7.130 1.00 0.00 H new ATOM 0 HA ASN A 57 5.794 23.074 5.195 1.00 0.00 H new ATOM 0 HB2 ASN A 57 3.167 23.105 4.578 1.00 0.00 H new ATOM 0 HB3 ASN A 57 3.321 24.773 5.094 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.736 25.854 2.086 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.876 26.219 3.585 1.00 0.00 H new ATOM 837 N ASP A 58 6.037 25.670 5.775 1.00 0.00 N ATOM 838 CA ASP A 58 6.550 26.890 6.390 1.00 0.00 C ATOM 839 C ASP A 58 5.736 28.103 5.949 1.00 0.00 C ATOM 840 O ASP A 58 5.011 28.699 6.745 1.00 0.00 O ATOM 841 CB ASP A 58 8.022 27.088 6.029 1.00 0.00 C ATOM 842 CG ASP A 58 8.846 27.578 7.204 1.00 0.00 C ATOM 843 OD1 ASP A 58 8.823 28.796 7.478 1.00 0.00 O ATOM 844 OD2 ASP A 58 9.514 26.742 7.850 1.00 0.00 O ATOM 0 H ASP A 58 6.186 25.611 4.768 1.00 0.00 H new ATOM 0 HA ASP A 58 6.461 26.789 7.472 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.434 26.146 5.668 1.00 0.00 H new ATOM 0 HB3 ASP A 58 8.099 27.804 5.211 1.00 0.00 H new ATOM 849 N LYS A 59 5.864 28.463 4.677 1.00 0.00 N ATOM 850 CA LYS A 59 5.141 29.604 4.129 1.00 0.00 C ATOM 851 C LYS A 59 3.638 29.339 4.112 1.00 0.00 C ATOM 852 O LYS A 59 3.240 28.218 3.734 1.00 0.00 O ATOM 853 CB LYS A 59 5.630 29.914 2.712 1.00 0.00 C ATOM 854 CG LYS A 59 6.971 30.630 2.676 1.00 0.00 C ATOM 855 CD LYS A 59 7.828 30.148 1.515 1.00 0.00 C ATOM 856 CE LYS A 59 8.513 28.828 1.836 1.00 0.00 C ATOM 857 NZ LYS A 59 7.877 27.686 1.122 1.00 0.00 N ATOM 0 H LYS A 59 6.462 27.981 4.006 1.00 0.00 H new ATOM 0 HA LYS A 59 5.334 30.465 4.769 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.709 28.982 2.152 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.885 30.528 2.205 1.00 0.00 H new ATOM 0 HG2 LYS A 59 6.809 31.704 2.589 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.500 30.462 3.614 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.206 30.030 0.627 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.580 30.901 1.280 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.566 28.888 1.560 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.475 28.651 2.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 8.559 26.905 1.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.045 27.363 1.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.582 27.991 0.172 1.00 0.00 H new TER 871 LYS A 59