USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 596 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -107:sc= 0.0872 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 63:sc= 1.18 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.0579 K(o=-0.058,f=-2.3!) USER MOD Single : A 32 THR OG1 : rot -46:sc= 0.493 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -6.44! C(o=-6.4!,f=-9.1!) USER MOD Single : A 43 HIS : no HD1:sc= -0.492 K(o=-0.49,f=0.13) USER MOD Single : A 47 THR OG1 : rot 40:sc= -2.48! USER MOD Single : A 50 ASN : amide:sc= -0.274 K(o=-0.27,f=-1.2!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 14:sc= -0.674! USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.0869 K(o=-0.087,f=-2.6!) USER MOD Single : A 76 GLN : amide:sc= -0.446 K(o=-0.45,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -27.982 0.464 13.921 1.00 0.00 N ATOM 2 CA MET A 1 -28.503 -0.534 12.944 1.00 0.00 C ATOM 3 C MET A 1 -27.609 -0.552 11.703 1.00 0.00 C ATOM 4 O MET A 1 -26.865 0.373 11.447 1.00 0.00 O ATOM 5 CB MET A 1 -29.928 -0.151 12.537 1.00 0.00 C ATOM 6 CG MET A 1 -30.927 -0.827 13.477 1.00 0.00 C ATOM 7 SD MET A 1 -31.961 -1.974 12.533 1.00 0.00 S ATOM 8 CE MET A 1 -33.292 -2.134 13.749 1.00 0.00 C ATOM 0 H1 MET A 1 -27.541 -0.032 14.722 1.00 0.00 H new ATOM 0 H2 MET A 1 -27.275 1.068 13.456 1.00 0.00 H new ATOM 0 H3 MET A 1 -28.766 1.053 14.267 1.00 0.00 H new ATOM 0 HA MET A 1 -28.506 -1.523 13.403 1.00 0.00 H new ATOM 0 HB2 MET A 1 -30.050 0.931 12.577 1.00 0.00 H new ATOM 0 HB3 MET A 1 -30.118 -0.456 11.508 1.00 0.00 H new ATOM 0 HG2 MET A 1 -30.397 -1.362 14.265 1.00 0.00 H new ATOM 0 HG3 MET A 1 -31.549 -0.077 13.965 1.00 0.00 H new ATOM 0 HE1 MET A 1 -34.055 -2.811 13.366 1.00 0.00 H new ATOM 0 HE2 MET A 1 -32.888 -2.532 14.680 1.00 0.00 H new ATOM 0 HE3 MET A 1 -33.735 -1.155 13.935 1.00 0.00 H new ATOM 20 N SER A 2 -27.677 -1.602 10.930 1.00 0.00 N ATOM 21 CA SER A 2 -26.832 -1.680 9.704 1.00 0.00 C ATOM 22 C SER A 2 -27.680 -1.324 8.481 1.00 0.00 C ATOM 23 O SER A 2 -27.250 -0.601 7.604 1.00 0.00 O ATOM 24 CB SER A 2 -26.287 -3.100 9.548 1.00 0.00 C ATOM 25 OG SER A 2 -25.585 -3.466 10.729 1.00 0.00 O ATOM 0 H SER A 2 -28.280 -2.408 11.094 1.00 0.00 H new ATOM 0 HA SER A 2 -26.001 -0.980 9.790 1.00 0.00 H new ATOM 0 HB2 SER A 2 -27.104 -3.798 9.366 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.623 -3.154 8.685 1.00 0.00 H new ATOM 0 HG SER A 2 -25.236 -4.377 10.633 1.00 0.00 H new ATOM 31 N ARG A 3 -28.884 -1.827 8.416 1.00 0.00 N ATOM 32 CA ARG A 3 -29.760 -1.519 7.251 1.00 0.00 C ATOM 33 C ARG A 3 -29.170 -2.144 5.985 1.00 0.00 C ATOM 34 O ARG A 3 -28.067 -2.654 5.988 1.00 0.00 O ATOM 35 CB ARG A 3 -29.856 -0.003 7.068 1.00 0.00 C ATOM 36 CG ARG A 3 -30.226 0.655 8.399 1.00 0.00 C ATOM 37 CD ARG A 3 -31.572 1.370 8.259 1.00 0.00 C ATOM 38 NE ARG A 3 -32.529 0.489 7.534 1.00 0.00 N ATOM 39 CZ ARG A 3 -33.247 -0.377 8.195 1.00 0.00 C ATOM 40 NH1 ARG A 3 -33.884 -0.008 9.273 1.00 0.00 N ATOM 41 NH2 ARG A 3 -33.328 -1.611 7.778 1.00 0.00 N ATOM 0 H ARG A 3 -29.298 -2.438 9.120 1.00 0.00 H new ATOM 0 HA ARG A 3 -30.754 -1.929 7.431 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -28.905 0.391 6.709 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -30.605 0.235 6.313 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -30.282 -0.098 9.186 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -29.454 1.366 8.692 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -31.967 1.621 9.244 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -31.443 2.308 7.718 1.00 0.00 H new ATOM 0 HE ARG A 3 -32.623 0.563 6.521 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -33.820 0.957 9.598 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -34.446 -0.684 9.790 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -32.830 -1.898 6.935 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -33.889 -2.288 8.295 1.00 0.00 H new ATOM 55 N SER A 4 -29.897 -2.106 4.902 1.00 0.00 N ATOM 56 CA SER A 4 -29.379 -2.695 3.635 1.00 0.00 C ATOM 57 C SER A 4 -30.049 -2.003 2.444 1.00 0.00 C ATOM 58 O SER A 4 -30.950 -2.550 1.840 1.00 0.00 O ATOM 59 CB SER A 4 -29.692 -4.192 3.599 1.00 0.00 C ATOM 60 OG SER A 4 -31.099 -4.376 3.511 1.00 0.00 O ATOM 0 H SER A 4 -30.827 -1.692 4.840 1.00 0.00 H new ATOM 0 HA SER A 4 -28.300 -2.552 3.581 1.00 0.00 H new ATOM 0 HB2 SER A 4 -29.199 -4.658 2.746 1.00 0.00 H new ATOM 0 HB3 SER A 4 -29.306 -4.678 4.495 1.00 0.00 H new ATOM 0 HG SER A 4 -31.428 -3.985 2.675 1.00 0.00 H new ATOM 66 N PRO A 5 -29.586 -0.815 2.144 1.00 0.00 N ATOM 67 CA PRO A 5 -30.120 -0.014 1.030 1.00 0.00 C ATOM 68 C PRO A 5 -29.587 -0.536 -0.307 1.00 0.00 C ATOM 69 O PRO A 5 -30.213 -1.345 -0.961 1.00 0.00 O ATOM 70 CB PRO A 5 -29.596 1.396 1.316 1.00 0.00 C ATOM 71 CG PRO A 5 -28.357 1.223 2.227 1.00 0.00 C ATOM 72 CD PRO A 5 -28.486 -0.163 2.886 1.00 0.00 C ATOM 0 HA PRO A 5 -31.207 -0.051 0.958 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -29.330 1.907 0.391 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -30.358 2.002 1.807 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -27.437 1.292 1.647 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -28.318 2.009 2.981 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -27.559 -0.731 2.805 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -28.716 -0.079 3.948 1.00 0.00 H new ATOM 80 N ASP A 6 -28.435 -0.081 -0.715 1.00 0.00 N ATOM 81 CA ASP A 6 -27.867 -0.555 -2.009 1.00 0.00 C ATOM 82 C ASP A 6 -26.423 -0.067 -2.149 1.00 0.00 C ATOM 83 O ASP A 6 -25.491 -0.847 -2.136 1.00 0.00 O ATOM 84 CB ASP A 6 -28.709 -0.008 -3.164 1.00 0.00 C ATOM 85 CG ASP A 6 -29.435 -1.163 -3.856 1.00 0.00 C ATOM 86 OD1 ASP A 6 -28.892 -2.257 -3.866 1.00 0.00 O ATOM 87 OD2 ASP A 6 -30.521 -0.936 -4.362 1.00 0.00 O ATOM 0 H ASP A 6 -27.863 0.597 -0.210 1.00 0.00 H new ATOM 0 HA ASP A 6 -27.880 -1.645 -2.033 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -29.431 0.718 -2.790 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -28.072 0.515 -3.877 1.00 0.00 H new ATOM 92 N ALA A 7 -26.229 1.217 -2.290 1.00 0.00 N ATOM 93 CA ALA A 7 -24.843 1.745 -2.437 1.00 0.00 C ATOM 94 C ALA A 7 -24.208 1.142 -3.690 1.00 0.00 C ATOM 95 O ALA A 7 -23.340 0.294 -3.615 1.00 0.00 O ATOM 96 CB ALA A 7 -24.016 1.361 -1.208 1.00 0.00 C ATOM 0 H ALA A 7 -26.968 1.920 -2.310 1.00 0.00 H new ATOM 0 HA ALA A 7 -24.871 2.831 -2.526 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -23.003 1.747 -1.316 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -24.473 1.786 -0.315 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -23.983 0.275 -1.117 1.00 0.00 H new ATOM 102 N LYS A 8 -24.642 1.567 -4.844 1.00 0.00 N ATOM 103 CA LYS A 8 -24.077 1.015 -6.108 1.00 0.00 C ATOM 104 C LYS A 8 -22.575 1.305 -6.183 1.00 0.00 C ATOM 105 O LYS A 8 -21.811 0.523 -6.714 1.00 0.00 O ATOM 106 CB LYS A 8 -24.780 1.664 -7.301 1.00 0.00 C ATOM 107 CG LYS A 8 -25.743 0.658 -7.934 1.00 0.00 C ATOM 108 CD LYS A 8 -26.916 1.405 -8.570 1.00 0.00 C ATOM 109 CE LYS A 8 -28.205 0.611 -8.352 1.00 0.00 C ATOM 110 NZ LYS A 8 -29.372 1.536 -8.407 1.00 0.00 N ATOM 0 H LYS A 8 -25.366 2.275 -4.967 1.00 0.00 H new ATOM 0 HA LYS A 8 -24.233 -0.064 -6.129 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -25.325 2.551 -6.977 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -24.045 1.992 -8.036 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -25.224 0.066 -8.688 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -26.108 -0.037 -7.178 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -27.009 2.398 -8.131 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -26.738 1.543 -9.636 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -28.303 -0.161 -9.115 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -28.174 0.104 -7.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -30.249 0.997 -8.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -29.279 2.257 -7.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -29.404 2.000 -9.337 1.00 0.00 H new ATOM 124 N GLU A 9 -22.144 2.421 -5.664 1.00 0.00 N ATOM 125 CA GLU A 9 -20.690 2.749 -5.720 1.00 0.00 C ATOM 126 C GLU A 9 -20.346 3.760 -4.626 1.00 0.00 C ATOM 127 O GLU A 9 -21.036 4.742 -4.434 1.00 0.00 O ATOM 128 CB GLU A 9 -20.359 3.347 -7.089 1.00 0.00 C ATOM 129 CG GLU A 9 -18.868 3.166 -7.381 1.00 0.00 C ATOM 130 CD GLU A 9 -18.313 4.446 -8.010 1.00 0.00 C ATOM 131 OE1 GLU A 9 -19.101 5.212 -8.541 1.00 0.00 O ATOM 132 OE2 GLU A 9 -17.110 4.638 -7.950 1.00 0.00 O ATOM 0 H GLU A 9 -22.731 3.118 -5.206 1.00 0.00 H new ATOM 0 HA GLU A 9 -20.108 1.841 -5.565 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -20.953 2.861 -7.863 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -20.618 4.406 -7.107 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -18.331 2.938 -6.460 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -18.718 2.322 -8.055 1.00 0.00 H new ATOM 139 N ASP A 10 -19.279 3.529 -3.908 1.00 0.00 N ATOM 140 CA ASP A 10 -18.886 4.476 -2.826 1.00 0.00 C ATOM 141 C ASP A 10 -17.888 3.793 -1.885 1.00 0.00 C ATOM 142 O ASP A 10 -16.827 4.324 -1.624 1.00 0.00 O ATOM 143 CB ASP A 10 -20.125 4.901 -2.038 1.00 0.00 C ATOM 144 CG ASP A 10 -20.409 6.382 -2.292 1.00 0.00 C ATOM 145 OD1 ASP A 10 -20.043 6.860 -3.353 1.00 0.00 O ATOM 146 OD2 ASP A 10 -20.987 7.012 -1.422 1.00 0.00 O ATOM 0 H ASP A 10 -18.663 2.725 -4.025 1.00 0.00 H new ATOM 0 HA ASP A 10 -18.422 5.357 -3.269 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -20.983 4.299 -2.337 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -19.969 4.727 -0.973 1.00 0.00 H new ATOM 151 N PRO A 11 -18.259 2.634 -1.403 1.00 0.00 N ATOM 152 CA PRO A 11 -17.414 1.851 -0.486 1.00 0.00 C ATOM 153 C PRO A 11 -16.332 1.105 -1.270 1.00 0.00 C ATOM 154 O PRO A 11 -16.582 0.560 -2.328 1.00 0.00 O ATOM 155 CB PRO A 11 -18.396 0.868 0.156 1.00 0.00 C ATOM 156 CG PRO A 11 -19.596 0.751 -0.814 1.00 0.00 C ATOM 157 CD PRO A 11 -19.553 1.994 -1.724 1.00 0.00 C ATOM 0 HA PRO A 11 -16.892 2.465 0.248 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -17.927 -0.103 0.312 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -18.720 1.226 1.133 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -19.529 -0.163 -1.404 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -20.536 0.707 -0.263 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -19.611 1.719 -2.777 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -20.389 2.664 -1.523 1.00 0.00 H new ATOM 165 N VAL A 12 -15.132 1.074 -0.762 1.00 0.00 N ATOM 166 CA VAL A 12 -14.039 0.362 -1.481 1.00 0.00 C ATOM 167 C VAL A 12 -13.900 -1.056 -0.927 1.00 0.00 C ATOM 168 O VAL A 12 -14.405 -1.372 0.132 1.00 0.00 O ATOM 169 CB VAL A 12 -12.723 1.116 -1.281 1.00 0.00 C ATOM 170 CG1 VAL A 12 -11.729 0.699 -2.366 1.00 0.00 C ATOM 171 CG2 VAL A 12 -12.978 2.621 -1.374 1.00 0.00 C ATOM 0 H VAL A 12 -14.861 1.510 0.119 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.276 0.315 -2.544 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.312 0.878 -0.300 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.791 1.235 -2.225 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.547 -0.374 -2.300 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -12.140 0.938 -3.347 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -12.040 3.158 -1.231 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -13.388 2.861 -2.355 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.688 2.918 -0.602 1.00 0.00 H new ATOM 181 N GLU A 13 -13.218 -1.913 -1.636 1.00 0.00 N ATOM 182 CA GLU A 13 -13.046 -3.311 -1.151 1.00 0.00 C ATOM 183 C GLU A 13 -11.638 -3.804 -1.498 1.00 0.00 C ATOM 184 O GLU A 13 -11.202 -3.722 -2.629 1.00 0.00 O ATOM 185 CB GLU A 13 -14.083 -4.213 -1.822 1.00 0.00 C ATOM 186 CG GLU A 13 -15.460 -3.952 -1.209 1.00 0.00 C ATOM 187 CD GLU A 13 -16.507 -3.862 -2.320 1.00 0.00 C ATOM 188 OE1 GLU A 13 -16.202 -4.265 -3.430 1.00 0.00 O ATOM 189 OE2 GLU A 13 -17.597 -3.390 -2.043 1.00 0.00 O ATOM 0 H GLU A 13 -12.773 -1.705 -2.530 1.00 0.00 H new ATOM 0 HA GLU A 13 -13.183 -3.340 -0.070 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -14.108 -4.020 -2.895 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.808 -5.260 -1.693 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.718 -4.753 -0.516 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.444 -3.026 -0.635 1.00 0.00 H new ATOM 196 N CYS A 14 -10.927 -4.315 -0.532 1.00 0.00 N ATOM 197 CA CYS A 14 -9.550 -4.817 -0.801 1.00 0.00 C ATOM 198 C CYS A 14 -9.554 -5.648 -2.090 1.00 0.00 C ATOM 199 O CYS A 14 -10.211 -6.666 -2.156 1.00 0.00 O ATOM 200 CB CYS A 14 -9.099 -5.698 0.369 1.00 0.00 C ATOM 201 SG CYS A 14 -7.386 -6.226 0.116 1.00 0.00 S ATOM 0 H CYS A 14 -11.240 -4.407 0.434 1.00 0.00 H new ATOM 0 HA CYS A 14 -8.867 -3.975 -0.913 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.184 -5.146 1.305 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.749 -6.569 0.452 1.00 0.00 H new ATOM 206 N PRO A 15 -8.818 -5.199 -3.078 1.00 0.00 N ATOM 207 CA PRO A 15 -8.723 -5.902 -4.370 1.00 0.00 C ATOM 208 C PRO A 15 -7.785 -7.107 -4.241 1.00 0.00 C ATOM 209 O PRO A 15 -7.527 -7.815 -5.195 1.00 0.00 O ATOM 210 CB PRO A 15 -8.141 -4.846 -5.312 1.00 0.00 C ATOM 211 CG PRO A 15 -7.421 -3.811 -4.417 1.00 0.00 C ATOM 212 CD PRO A 15 -8.017 -3.961 -3.003 1.00 0.00 C ATOM 0 HA PRO A 15 -9.677 -6.293 -4.725 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -7.446 -5.298 -6.020 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -8.929 -4.372 -5.898 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -6.346 -3.990 -4.405 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -7.572 -2.800 -4.796 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -7.235 -4.037 -2.247 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -8.634 -3.103 -2.738 1.00 0.00 H new ATOM 220 N LEU A 16 -7.280 -7.342 -3.061 1.00 0.00 N ATOM 221 CA LEU A 16 -6.364 -8.494 -2.843 1.00 0.00 C ATOM 222 C LEU A 16 -7.154 -9.656 -2.241 1.00 0.00 C ATOM 223 O LEU A 16 -6.972 -10.801 -2.601 1.00 0.00 O ATOM 224 CB LEU A 16 -5.266 -8.080 -1.864 1.00 0.00 C ATOM 225 CG LEU A 16 -3.970 -7.810 -2.622 1.00 0.00 C ATOM 226 CD1 LEU A 16 -3.409 -9.127 -3.162 1.00 0.00 C ATOM 227 CD2 LEU A 16 -4.242 -6.854 -3.786 1.00 0.00 C ATOM 0 H LEU A 16 -7.466 -6.779 -2.231 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.922 -8.799 -3.792 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.571 -7.187 -1.318 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.109 -8.867 -1.126 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.245 -7.357 -1.946 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.483 -8.933 -3.703 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.209 -9.805 -2.332 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.135 -9.583 -3.836 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.314 -6.664 -4.325 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.969 -7.302 -4.463 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.637 -5.914 -3.400 1.00 0.00 H new ATOM 239 N CYS A 17 -8.032 -9.362 -1.323 1.00 0.00 N ATOM 240 CA CYS A 17 -8.843 -10.437 -0.685 1.00 0.00 C ATOM 241 C CYS A 17 -10.316 -10.024 -0.706 1.00 0.00 C ATOM 242 O CYS A 17 -11.128 -10.525 0.043 1.00 0.00 O ATOM 243 CB CYS A 17 -8.375 -10.647 0.757 1.00 0.00 C ATOM 244 SG CYS A 17 -8.893 -9.246 1.778 1.00 0.00 S ATOM 0 H CYS A 17 -8.224 -8.419 -0.985 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.720 -11.372 -1.232 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.793 -11.572 1.154 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.290 -10.749 0.786 1.00 0.00 H new ATOM 249 N MET A 18 -10.647 -9.109 -1.572 1.00 0.00 N ATOM 250 CA MET A 18 -12.053 -8.624 -1.700 1.00 0.00 C ATOM 251 C MET A 18 -12.693 -8.393 -0.326 1.00 0.00 C ATOM 252 O MET A 18 -13.890 -8.520 -0.164 1.00 0.00 O ATOM 253 CB MET A 18 -12.879 -9.632 -2.510 1.00 0.00 C ATOM 254 CG MET A 18 -13.351 -10.796 -1.626 1.00 0.00 C ATOM 255 SD MET A 18 -12.591 -12.334 -2.203 1.00 0.00 S ATOM 256 CE MET A 18 -13.904 -12.814 -3.352 1.00 0.00 C ATOM 0 H MET A 18 -9.988 -8.666 -2.212 1.00 0.00 H new ATOM 0 HA MET A 18 -12.037 -7.668 -2.222 1.00 0.00 H new ATOM 0 HB2 MET A 18 -13.742 -9.131 -2.949 1.00 0.00 H new ATOM 0 HB3 MET A 18 -12.281 -10.017 -3.336 1.00 0.00 H new ATOM 0 HG2 MET A 18 -13.080 -10.611 -0.587 1.00 0.00 H new ATOM 0 HG3 MET A 18 -14.437 -10.878 -1.663 1.00 0.00 H new ATOM 0 HE1 MET A 18 -13.641 -13.756 -3.832 1.00 0.00 H new ATOM 0 HE2 MET A 18 -14.840 -12.934 -2.806 1.00 0.00 H new ATOM 0 HE3 MET A 18 -14.024 -12.041 -4.111 1.00 0.00 H new ATOM 266 N GLU A 19 -11.917 -8.037 0.655 1.00 0.00 N ATOM 267 CA GLU A 19 -12.499 -7.778 2.005 1.00 0.00 C ATOM 268 C GLU A 19 -13.103 -6.371 2.027 1.00 0.00 C ATOM 269 O GLU A 19 -12.835 -5.573 1.152 1.00 0.00 O ATOM 270 CB GLU A 19 -11.404 -7.869 3.069 1.00 0.00 C ATOM 271 CG GLU A 19 -11.279 -9.315 3.553 1.00 0.00 C ATOM 272 CD GLU A 19 -12.352 -9.592 4.608 1.00 0.00 C ATOM 273 OE1 GLU A 19 -12.151 -9.201 5.745 1.00 0.00 O ATOM 274 OE2 GLU A 19 -13.357 -10.192 4.260 1.00 0.00 O ATOM 0 H GLU A 19 -10.907 -7.913 0.585 1.00 0.00 H new ATOM 0 HA GLU A 19 -13.269 -8.520 2.215 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.454 -7.529 2.658 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.641 -7.213 3.907 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -11.392 -10.002 2.714 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.288 -9.485 3.973 1.00 0.00 H new ATOM 281 N PRO A 20 -13.897 -6.107 3.031 1.00 0.00 N ATOM 282 CA PRO A 20 -14.552 -4.798 3.201 1.00 0.00 C ATOM 283 C PRO A 20 -13.562 -3.776 3.768 1.00 0.00 C ATOM 284 O PRO A 20 -13.100 -3.901 4.883 1.00 0.00 O ATOM 285 CB PRO A 20 -15.671 -5.084 4.205 1.00 0.00 C ATOM 286 CG PRO A 20 -15.249 -6.358 4.974 1.00 0.00 C ATOM 287 CD PRO A 20 -14.221 -7.086 4.089 1.00 0.00 C ATOM 0 HA PRO A 20 -14.922 -4.379 2.265 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -15.805 -4.245 4.887 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -16.622 -5.235 3.695 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -14.815 -6.101 5.940 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -16.111 -6.995 5.171 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -13.334 -7.367 4.657 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -14.635 -8.003 3.670 1.00 0.00 H new ATOM 295 N LEU A 21 -13.235 -2.765 3.009 1.00 0.00 N ATOM 296 CA LEU A 21 -12.276 -1.739 3.509 1.00 0.00 C ATOM 297 C LEU A 21 -12.967 -0.868 4.561 1.00 0.00 C ATOM 298 O LEU A 21 -14.069 -1.150 4.988 1.00 0.00 O ATOM 299 CB LEU A 21 -11.814 -0.861 2.345 1.00 0.00 C ATOM 300 CG LEU A 21 -10.562 -1.470 1.714 1.00 0.00 C ATOM 301 CD1 LEU A 21 -10.253 -0.749 0.402 1.00 0.00 C ATOM 302 CD2 LEU A 21 -9.381 -1.310 2.674 1.00 0.00 C ATOM 0 H LEU A 21 -13.590 -2.606 2.066 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.413 -2.234 3.954 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.606 -0.779 1.601 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.602 0.148 2.698 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.730 -2.529 1.517 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.360 -1.182 -0.050 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.095 -0.860 -0.281 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.083 0.309 0.600 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.487 -1.744 2.226 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.212 -0.251 2.870 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.602 -1.821 3.611 1.00 0.00 H new ATOM 314 N GLU A 22 -12.328 0.189 4.981 1.00 0.00 N ATOM 315 CA GLU A 22 -12.950 1.076 6.005 1.00 0.00 C ATOM 316 C GLU A 22 -12.543 2.527 5.740 1.00 0.00 C ATOM 317 O GLU A 22 -11.602 2.799 5.023 1.00 0.00 O ATOM 318 CB GLU A 22 -12.472 0.659 7.397 1.00 0.00 C ATOM 319 CG GLU A 22 -12.664 -0.849 7.571 1.00 0.00 C ATOM 320 CD GLU A 22 -14.159 -1.174 7.606 1.00 0.00 C ATOM 321 OE1 GLU A 22 -14.943 -0.251 7.760 1.00 0.00 O ATOM 322 OE2 GLU A 22 -14.496 -2.340 7.477 1.00 0.00 O ATOM 0 H GLU A 22 -11.404 0.477 4.660 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.035 0.988 5.951 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.422 0.920 7.526 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.031 1.198 8.162 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.184 -1.384 6.752 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.187 -1.183 8.492 1.00 0.00 H new ATOM 329 N ILE A 23 -13.248 3.463 6.318 1.00 0.00 N ATOM 330 CA ILE A 23 -12.906 4.897 6.103 1.00 0.00 C ATOM 331 C ILE A 23 -11.428 5.126 6.429 1.00 0.00 C ATOM 332 O ILE A 23 -10.665 5.589 5.605 1.00 0.00 O ATOM 333 CB ILE A 23 -13.770 5.767 7.021 1.00 0.00 C ATOM 334 CG1 ILE A 23 -15.206 5.801 6.492 1.00 0.00 C ATOM 335 CG2 ILE A 23 -13.209 7.189 7.062 1.00 0.00 C ATOM 336 CD1 ILE A 23 -15.239 6.521 5.141 1.00 0.00 C ATOM 0 H ILE A 23 -14.046 3.295 6.930 1.00 0.00 H new ATOM 0 HA ILE A 23 -13.093 5.163 5.063 1.00 0.00 H new ATOM 0 HB ILE A 23 -13.762 5.346 8.027 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -15.589 4.786 6.384 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -15.854 6.312 7.204 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -13.826 7.805 7.716 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -12.188 7.166 7.442 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -13.213 7.611 6.057 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -16.262 6.544 4.766 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -14.874 7.541 5.263 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -14.604 5.991 4.431 1.00 0.00 H new ATOM 348 N ASP A 24 -11.021 4.812 7.629 1.00 0.00 N ATOM 349 CA ASP A 24 -9.596 5.019 8.011 1.00 0.00 C ATOM 350 C ASP A 24 -8.729 3.911 7.407 1.00 0.00 C ATOM 351 O ASP A 24 -7.519 3.931 7.517 1.00 0.00 O ATOM 352 CB ASP A 24 -9.470 4.989 9.536 1.00 0.00 C ATOM 353 CG ASP A 24 -10.360 6.075 10.145 1.00 0.00 C ATOM 354 OD1 ASP A 24 -11.406 6.342 9.579 1.00 0.00 O ATOM 355 OD2 ASP A 24 -9.978 6.621 11.167 1.00 0.00 O ATOM 0 H ASP A 24 -11.614 4.421 8.361 1.00 0.00 H new ATOM 0 HA ASP A 24 -9.259 5.984 7.633 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.762 4.010 9.916 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.432 5.148 9.829 1.00 0.00 H new ATOM 360 N ASP A 25 -9.333 2.944 6.774 1.00 0.00 N ATOM 361 CA ASP A 25 -8.535 1.838 6.169 1.00 0.00 C ATOM 362 C ASP A 25 -8.424 2.048 4.657 1.00 0.00 C ATOM 363 O ASP A 25 -7.893 1.220 3.944 1.00 0.00 O ATOM 364 CB ASP A 25 -9.224 0.501 6.446 1.00 0.00 C ATOM 365 CG ASP A 25 -9.231 0.233 7.952 1.00 0.00 C ATOM 366 OD1 ASP A 25 -8.745 1.078 8.685 1.00 0.00 O ATOM 367 OD2 ASP A 25 -9.725 -0.811 8.346 1.00 0.00 O ATOM 0 H ASP A 25 -10.343 2.871 6.649 1.00 0.00 H new ATOM 0 HA ASP A 25 -7.537 1.833 6.608 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -10.245 0.520 6.065 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.704 -0.303 5.925 1.00 0.00 H new ATOM 372 N ILE A 26 -8.922 3.148 4.161 1.00 0.00 N ATOM 373 CA ILE A 26 -8.844 3.406 2.695 1.00 0.00 C ATOM 374 C ILE A 26 -7.526 4.123 2.375 1.00 0.00 C ATOM 375 O ILE A 26 -6.950 3.940 1.322 1.00 0.00 O ATOM 376 CB ILE A 26 -10.035 4.279 2.270 1.00 0.00 C ATOM 377 CG1 ILE A 26 -11.274 3.399 2.105 1.00 0.00 C ATOM 378 CG2 ILE A 26 -9.731 4.975 0.939 1.00 0.00 C ATOM 379 CD1 ILE A 26 -12.476 4.076 2.767 1.00 0.00 C ATOM 0 H ILE A 26 -9.379 3.878 4.707 1.00 0.00 H new ATOM 0 HA ILE A 26 -8.879 2.463 2.150 1.00 0.00 H new ATOM 0 HB ILE A 26 -10.213 5.034 3.036 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.475 3.232 1.047 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -11.101 2.422 2.555 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -10.582 5.591 0.648 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -8.849 5.605 1.051 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.546 4.225 0.170 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -13.359 3.447 2.648 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.273 4.221 3.828 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.654 5.043 2.297 1.00 0.00 H new ATOM 391 N ASN A 27 -7.050 4.938 3.274 1.00 0.00 N ATOM 392 CA ASN A 27 -5.775 5.667 3.017 1.00 0.00 C ATOM 393 C ASN A 27 -4.589 4.757 3.342 1.00 0.00 C ATOM 394 O ASN A 27 -3.448 5.175 3.309 1.00 0.00 O ATOM 395 CB ASN A 27 -5.714 6.912 3.902 1.00 0.00 C ATOM 396 CG ASN A 27 -6.809 7.893 3.481 1.00 0.00 C ATOM 397 OD1 ASN A 27 -7.566 7.623 2.570 1.00 0.00 O ATOM 398 ND2 ASN A 27 -6.926 9.030 4.112 1.00 0.00 N ATOM 0 H ASN A 27 -7.487 5.131 4.175 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.732 5.960 1.968 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.843 6.634 4.948 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -4.735 7.384 3.816 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -7.653 9.692 3.840 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -6.290 9.257 4.877 1.00 0.00 H new ATOM 405 N PHE A 28 -4.844 3.516 3.659 1.00 0.00 N ATOM 406 CA PHE A 28 -3.724 2.591 3.988 1.00 0.00 C ATOM 407 C PHE A 28 -3.401 1.721 2.773 1.00 0.00 C ATOM 408 O PHE A 28 -4.081 0.756 2.489 1.00 0.00 O ATOM 409 CB PHE A 28 -4.122 1.696 5.161 1.00 0.00 C ATOM 410 CG PHE A 28 -3.025 0.688 5.411 1.00 0.00 C ATOM 411 CD1 PHE A 28 -3.038 -0.540 4.738 1.00 0.00 C ATOM 412 CD2 PHE A 28 -1.995 0.981 6.312 1.00 0.00 C ATOM 413 CE1 PHE A 28 -2.022 -1.474 4.968 1.00 0.00 C ATOM 414 CE2 PHE A 28 -0.978 0.047 6.541 1.00 0.00 C ATOM 415 CZ PHE A 28 -0.991 -1.182 5.869 1.00 0.00 C ATOM 0 H PHE A 28 -5.776 3.105 3.704 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.846 3.176 4.260 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.289 2.299 6.054 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.059 1.185 4.942 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.832 -0.766 4.042 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.985 1.928 6.831 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -2.033 -2.421 4.450 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.183 0.274 7.236 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.207 -1.903 6.046 1.00 0.00 H new ATOM 425 N PHE A 29 -2.360 2.050 2.059 1.00 0.00 N ATOM 426 CA PHE A 29 -1.984 1.237 0.868 1.00 0.00 C ATOM 427 C PHE A 29 -0.517 0.824 0.985 1.00 0.00 C ATOM 428 O PHE A 29 0.271 1.513 1.601 1.00 0.00 O ATOM 429 CB PHE A 29 -2.175 2.056 -0.415 1.00 0.00 C ATOM 430 CG PHE A 29 -2.034 3.528 -0.116 1.00 0.00 C ATOM 431 CD1 PHE A 29 -0.844 4.024 0.435 1.00 0.00 C ATOM 432 CD2 PHE A 29 -3.098 4.397 -0.384 1.00 0.00 C ATOM 433 CE1 PHE A 29 -0.722 5.391 0.715 1.00 0.00 C ATOM 434 CE2 PHE A 29 -2.977 5.762 -0.103 1.00 0.00 C ATOM 435 CZ PHE A 29 -1.789 6.259 0.447 1.00 0.00 C ATOM 0 H PHE A 29 -1.753 2.847 2.249 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.621 0.353 0.825 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.438 1.756 -1.160 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.158 1.856 -0.840 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.023 3.354 0.643 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.014 4.013 -0.808 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.194 5.776 1.137 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.799 6.432 -0.310 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.695 7.313 0.665 1.00 0.00 H new ATOM 445 N PRO A 30 -0.194 -0.289 0.382 1.00 0.00 N ATOM 446 CA PRO A 30 1.177 -0.818 0.392 1.00 0.00 C ATOM 447 C PRO A 30 2.032 -0.047 -0.613 1.00 0.00 C ATOM 448 O PRO A 30 3.237 0.026 -0.494 1.00 0.00 O ATOM 449 CB PRO A 30 1.001 -2.278 -0.035 1.00 0.00 C ATOM 450 CG PRO A 30 -0.343 -2.350 -0.799 1.00 0.00 C ATOM 451 CD PRO A 30 -1.161 -1.120 -0.364 1.00 0.00 C ATOM 0 HA PRO A 30 1.676 -0.727 1.357 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.827 -2.599 -0.670 1.00 0.00 H new ATOM 0 HB3 PRO A 30 0.991 -2.938 0.832 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.177 -2.344 -1.876 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.874 -3.272 -0.563 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.565 -0.586 -1.224 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -2.007 -1.405 0.261 1.00 0.00 H new ATOM 459 N CYS A 31 1.408 0.533 -1.601 1.00 0.00 N ATOM 460 CA CYS A 31 2.169 1.306 -2.620 1.00 0.00 C ATOM 461 C CYS A 31 1.512 2.675 -2.814 1.00 0.00 C ATOM 462 O CYS A 31 0.349 2.862 -2.519 1.00 0.00 O ATOM 463 CB CYS A 31 2.162 0.540 -3.940 1.00 0.00 C ATOM 464 SG CYS A 31 3.222 1.389 -5.134 1.00 0.00 S ATOM 0 H CYS A 31 0.399 0.504 -1.746 1.00 0.00 H new ATOM 0 HA CYS A 31 3.197 1.444 -2.286 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.516 -0.479 -3.783 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.145 0.469 -4.326 1.00 0.00 H new ATOM 469 N THR A 32 2.250 3.638 -3.297 1.00 0.00 N ATOM 470 CA THR A 32 1.665 4.995 -3.494 1.00 0.00 C ATOM 471 C THR A 32 1.073 5.127 -4.902 1.00 0.00 C ATOM 472 O THR A 32 0.745 6.212 -5.339 1.00 0.00 O ATOM 473 CB THR A 32 2.756 6.052 -3.303 1.00 0.00 C ATOM 474 OG1 THR A 32 2.157 7.337 -3.223 1.00 0.00 O ATOM 475 CG2 THR A 32 3.722 6.008 -4.488 1.00 0.00 C ATOM 0 H THR A 32 3.230 3.544 -3.563 1.00 0.00 H new ATOM 0 HA THR A 32 0.870 5.143 -2.763 1.00 0.00 H new ATOM 0 HB THR A 32 3.305 5.849 -2.383 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.498 7.436 -3.942 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.499 6.760 -4.352 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.180 5.021 -4.548 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.177 6.212 -5.410 1.00 0.00 H new ATOM 483 N CYS A 33 0.930 4.044 -5.619 1.00 0.00 N ATOM 484 CA CYS A 33 0.356 4.143 -6.992 1.00 0.00 C ATOM 485 C CYS A 33 -1.167 4.014 -6.919 1.00 0.00 C ATOM 486 O CYS A 33 -1.884 4.568 -7.727 1.00 0.00 O ATOM 487 CB CYS A 33 0.927 3.034 -7.879 1.00 0.00 C ATOM 488 SG CYS A 33 0.259 1.434 -7.364 1.00 0.00 S ATOM 0 H CYS A 33 1.183 3.103 -5.317 1.00 0.00 H new ATOM 0 HA CYS A 33 0.618 5.110 -7.421 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.676 3.225 -8.922 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.015 3.024 -7.810 1.00 0.00 H new ATOM 493 N GLY A 34 -1.669 3.295 -5.952 1.00 0.00 N ATOM 494 CA GLY A 34 -3.147 3.151 -5.830 1.00 0.00 C ATOM 495 C GLY A 34 -3.529 1.681 -5.629 1.00 0.00 C ATOM 496 O GLY A 34 -4.694 1.336 -5.626 1.00 0.00 O ATOM 0 H GLY A 34 -1.123 2.804 -5.245 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.508 3.745 -4.990 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.631 3.539 -6.726 1.00 0.00 H new ATOM 500 N TYR A 35 -2.571 0.809 -5.449 1.00 0.00 N ATOM 501 CA TYR A 35 -2.917 -0.626 -5.232 1.00 0.00 C ATOM 502 C TYR A 35 -3.169 -0.846 -3.739 1.00 0.00 C ATOM 503 O TYR A 35 -2.661 -1.771 -3.138 1.00 0.00 O ATOM 504 CB TYR A 35 -1.768 -1.524 -5.701 1.00 0.00 C ATOM 505 CG TYR A 35 -2.329 -2.857 -6.139 1.00 0.00 C ATOM 506 CD1 TYR A 35 -3.225 -2.921 -7.212 1.00 0.00 C ATOM 507 CD2 TYR A 35 -1.955 -4.031 -5.470 1.00 0.00 C ATOM 508 CE1 TYR A 35 -3.749 -4.155 -7.616 1.00 0.00 C ATOM 509 CE2 TYR A 35 -2.478 -5.264 -5.874 1.00 0.00 C ATOM 510 CZ TYR A 35 -3.375 -5.327 -6.948 1.00 0.00 C ATOM 511 OH TYR A 35 -3.892 -6.543 -7.345 1.00 0.00 O ATOM 0 H TYR A 35 -1.574 1.026 -5.443 1.00 0.00 H new ATOM 0 HA TYR A 35 -3.809 -0.879 -5.804 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.234 -1.052 -6.526 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -1.048 -1.666 -4.895 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.513 -2.018 -7.729 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.263 -3.983 -4.642 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -4.442 -4.203 -8.443 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -2.190 -6.168 -5.358 1.00 0.00 H new ATOM 0 HH TYR A 35 -3.529 -7.254 -6.777 1.00 0.00 H new ATOM 521 N GLN A 36 -3.946 0.015 -3.141 1.00 0.00 N ATOM 522 CA GLN A 36 -4.241 -0.104 -1.687 1.00 0.00 C ATOM 523 C GLN A 36 -4.786 -1.496 -1.364 1.00 0.00 C ATOM 524 O GLN A 36 -5.420 -2.137 -2.177 1.00 0.00 O ATOM 525 CB GLN A 36 -5.283 0.948 -1.303 1.00 0.00 C ATOM 526 CG GLN A 36 -5.343 1.084 0.219 1.00 0.00 C ATOM 527 CD GLN A 36 -6.783 1.364 0.650 1.00 0.00 C ATOM 528 OE1 GLN A 36 -7.202 0.952 1.714 1.00 0.00 O ATOM 529 NE2 GLN A 36 -7.564 2.054 -0.136 1.00 0.00 N ATOM 0 H GLN A 36 -4.394 0.805 -3.605 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.321 0.052 -1.123 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -5.028 1.907 -1.754 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -6.261 0.663 -1.691 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.982 0.170 0.691 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -4.690 1.892 0.549 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -7.212 2.400 -1.029 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -8.526 2.247 0.143 1.00 0.00 H new ATOM 538 N ILE A 37 -4.546 -1.955 -0.166 1.00 0.00 N ATOM 539 CA ILE A 37 -5.048 -3.295 0.245 1.00 0.00 C ATOM 540 C ILE A 37 -5.572 -3.202 1.679 1.00 0.00 C ATOM 541 O ILE A 37 -5.619 -2.135 2.260 1.00 0.00 O ATOM 542 CB ILE A 37 -3.908 -4.312 0.177 1.00 0.00 C ATOM 543 CG1 ILE A 37 -2.914 -4.033 1.308 1.00 0.00 C ATOM 544 CG2 ILE A 37 -3.196 -4.191 -1.172 1.00 0.00 C ATOM 545 CD1 ILE A 37 -1.703 -4.959 1.169 1.00 0.00 C ATOM 0 H ILE A 37 -4.020 -1.455 0.550 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.848 -3.615 -0.422 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.309 -5.320 0.284 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.594 -2.992 1.275 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -3.394 -4.189 2.274 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.383 -4.916 -1.221 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -3.905 -4.386 -1.976 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.792 -3.185 -1.281 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.997 -4.758 1.975 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.031 -5.997 1.224 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.218 -4.782 0.209 1.00 0.00 H new ATOM 557 N CYS A 38 -5.961 -4.301 2.259 1.00 0.00 N ATOM 558 CA CYS A 38 -6.475 -4.256 3.656 1.00 0.00 C ATOM 559 C CYS A 38 -5.309 -4.479 4.627 1.00 0.00 C ATOM 560 O CYS A 38 -4.230 -4.875 4.231 1.00 0.00 O ATOM 561 CB CYS A 38 -7.550 -5.333 3.842 1.00 0.00 C ATOM 562 SG CYS A 38 -6.786 -6.970 3.863 1.00 0.00 S ATOM 0 H CYS A 38 -5.946 -5.226 1.829 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.923 -3.283 3.859 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -8.090 -5.163 4.773 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -8.280 -5.273 3.035 1.00 0.00 H new ATOM 567 N ARG A 39 -5.506 -4.211 5.890 1.00 0.00 N ATOM 568 CA ARG A 39 -4.395 -4.389 6.872 1.00 0.00 C ATOM 569 C ARG A 39 -4.089 -5.877 7.065 1.00 0.00 C ATOM 570 O ARG A 39 -3.110 -6.241 7.686 1.00 0.00 O ATOM 571 CB ARG A 39 -4.794 -3.770 8.214 1.00 0.00 C ATOM 572 CG ARG A 39 -4.612 -2.252 8.150 1.00 0.00 C ATOM 573 CD ARG A 39 -3.439 -1.836 9.041 1.00 0.00 C ATOM 574 NE ARG A 39 -3.496 -0.367 9.284 1.00 0.00 N ATOM 575 CZ ARG A 39 -3.415 0.097 10.501 1.00 0.00 C ATOM 576 NH1 ARG A 39 -2.468 -0.319 11.296 1.00 0.00 N ATOM 577 NH2 ARG A 39 -4.279 0.979 10.923 1.00 0.00 N ATOM 0 H ARG A 39 -6.385 -3.877 6.284 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.503 -3.892 6.490 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.831 -4.013 8.445 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.183 -4.187 9.015 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.428 -1.941 7.122 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.524 -1.752 8.476 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -3.479 -2.374 9.988 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -2.495 -2.100 8.564 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.598 0.276 8.499 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.791 -1.007 10.966 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.405 0.044 12.247 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -5.019 1.306 10.301 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -4.215 1.341 11.874 1.00 0.00 H new ATOM 591 N PHE A 40 -4.912 -6.742 6.541 1.00 0.00 N ATOM 592 CA PHE A 40 -4.651 -8.201 6.702 1.00 0.00 C ATOM 593 C PHE A 40 -3.918 -8.732 5.467 1.00 0.00 C ATOM 594 O PHE A 40 -3.352 -9.806 5.485 1.00 0.00 O ATOM 595 CB PHE A 40 -5.978 -8.947 6.871 1.00 0.00 C ATOM 596 CG PHE A 40 -6.702 -8.425 8.091 1.00 0.00 C ATOM 597 CD1 PHE A 40 -5.976 -7.900 9.168 1.00 0.00 C ATOM 598 CD2 PHE A 40 -8.100 -8.468 8.143 1.00 0.00 C ATOM 599 CE1 PHE A 40 -6.651 -7.418 10.297 1.00 0.00 C ATOM 600 CE2 PHE A 40 -8.773 -7.986 9.272 1.00 0.00 C ATOM 601 CZ PHE A 40 -8.048 -7.461 10.349 1.00 0.00 C ATOM 0 H PHE A 40 -5.750 -6.504 6.011 1.00 0.00 H new ATOM 0 HA PHE A 40 -4.033 -8.360 7.586 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -6.597 -8.814 5.984 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -5.795 -10.017 6.974 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.897 -7.867 9.128 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -8.659 -8.873 7.313 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -6.092 -7.013 11.128 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -9.852 -8.019 9.312 1.00 0.00 H new ATOM 0 HZ PHE A 40 -8.568 -7.089 11.220 1.00 0.00 H new ATOM 611 N CYS A 41 -3.912 -7.983 4.398 1.00 0.00 N ATOM 612 CA CYS A 41 -3.202 -8.443 3.171 1.00 0.00 C ATOM 613 C CYS A 41 -1.759 -7.939 3.217 1.00 0.00 C ATOM 614 O CYS A 41 -0.854 -8.559 2.694 1.00 0.00 O ATOM 615 CB CYS A 41 -3.898 -7.880 1.925 1.00 0.00 C ATOM 616 SG CYS A 41 -5.167 -9.042 1.355 1.00 0.00 S ATOM 0 H CYS A 41 -4.367 -7.074 4.321 1.00 0.00 H new ATOM 0 HA CYS A 41 -3.217 -9.532 3.126 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -4.351 -6.916 2.155 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -3.167 -7.709 1.135 1.00 0.00 H new ATOM 621 N TRP A 42 -1.542 -6.817 3.846 1.00 0.00 N ATOM 622 CA TRP A 42 -0.163 -6.261 3.935 1.00 0.00 C ATOM 623 C TRP A 42 0.580 -6.920 5.102 1.00 0.00 C ATOM 624 O TRP A 42 1.765 -6.722 5.286 1.00 0.00 O ATOM 625 CB TRP A 42 -0.247 -4.750 4.165 1.00 0.00 C ATOM 626 CG TRP A 42 1.112 -4.209 4.466 1.00 0.00 C ATOM 627 CD1 TRP A 42 2.046 -3.897 3.539 1.00 0.00 C ATOM 628 CD2 TRP A 42 1.703 -3.907 5.762 1.00 0.00 C ATOM 629 NE1 TRP A 42 3.175 -3.422 4.184 1.00 0.00 N ATOM 630 CE2 TRP A 42 3.012 -3.409 5.556 1.00 0.00 C ATOM 631 CE3 TRP A 42 1.235 -4.014 7.084 1.00 0.00 C ATOM 632 CZ2 TRP A 42 3.827 -3.032 6.623 1.00 0.00 C ATOM 633 CZ3 TRP A 42 2.053 -3.635 8.161 1.00 0.00 C ATOM 634 CH2 TRP A 42 3.347 -3.146 7.931 1.00 0.00 C ATOM 0 H TRP A 42 -2.263 -6.260 4.304 1.00 0.00 H new ATOM 0 HA TRP A 42 0.376 -6.461 3.009 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.656 -4.260 3.281 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.925 -4.536 4.991 1.00 0.00 H new ATOM 0 HD1 TRP A 42 1.930 -4.001 2.470 1.00 0.00 H new ATOM 0 HE1 TRP A 42 4.023 -3.119 3.705 1.00 0.00 H new ATOM 0 HE3 TRP A 42 0.240 -4.390 7.272 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.822 -2.655 6.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.683 -3.721 9.172 1.00 0.00 H new ATOM 0 HH2 TRP A 42 3.972 -2.858 8.763 1.00 0.00 H new ATOM 645 N HIS A 43 -0.107 -7.702 5.890 1.00 0.00 N ATOM 646 CA HIS A 43 0.561 -8.374 7.043 1.00 0.00 C ATOM 647 C HIS A 43 1.255 -9.647 6.556 1.00 0.00 C ATOM 648 O HIS A 43 2.325 -9.998 7.013 1.00 0.00 O ATOM 649 CB HIS A 43 -0.484 -8.736 8.100 1.00 0.00 C ATOM 650 CG HIS A 43 -0.321 -7.839 9.297 1.00 0.00 C ATOM 651 ND1 HIS A 43 0.365 -8.239 10.433 1.00 0.00 N ATOM 652 CD2 HIS A 43 -0.750 -6.560 9.548 1.00 0.00 C ATOM 653 CE1 HIS A 43 0.327 -7.217 11.310 1.00 0.00 C ATOM 654 NE2 HIS A 43 -0.340 -6.169 10.819 1.00 0.00 N ATOM 0 H HIS A 43 -1.101 -7.905 5.786 1.00 0.00 H new ATOM 0 HA HIS A 43 1.298 -7.700 7.479 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.487 -8.629 7.686 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -0.371 -9.779 8.396 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -1.319 -5.949 8.863 1.00 0.00 H new ATOM 0 HE1 HIS A 43 0.780 -7.242 12.290 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -0.512 -5.274 11.277 1.00 0.00 H new ATOM 662 N ARG A 44 0.653 -10.343 5.631 1.00 0.00 N ATOM 663 CA ARG A 44 1.275 -11.594 5.114 1.00 0.00 C ATOM 664 C ARG A 44 2.201 -11.257 3.943 1.00 0.00 C ATOM 665 O ARG A 44 3.117 -11.991 3.631 1.00 0.00 O ATOM 666 CB ARG A 44 0.178 -12.547 4.638 1.00 0.00 C ATOM 667 CG ARG A 44 -0.469 -13.226 5.847 1.00 0.00 C ATOM 668 CD ARG A 44 -1.968 -12.924 5.862 1.00 0.00 C ATOM 669 NE ARG A 44 -2.707 -14.106 6.391 1.00 0.00 N ATOM 670 CZ ARG A 44 -2.981 -14.189 7.664 1.00 0.00 C ATOM 671 NH1 ARG A 44 -2.018 -14.134 8.545 1.00 0.00 N ATOM 672 NH2 ARG A 44 -4.218 -14.327 8.057 1.00 0.00 N ATOM 0 H ARG A 44 -0.244 -10.099 5.211 1.00 0.00 H new ATOM 0 HA ARG A 44 1.852 -12.069 5.908 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.574 -11.999 4.070 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.599 -13.297 3.968 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.305 -14.303 5.803 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.007 -12.870 6.768 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.168 -12.050 6.481 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.312 -12.687 4.855 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.999 -14.850 5.757 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.051 -14.026 8.238 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.233 -14.199 9.540 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.970 -14.370 7.369 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -4.433 -14.392 9.052 1.00 0.00 H new ATOM 686 N ILE A 45 1.971 -10.151 3.292 1.00 0.00 N ATOM 687 CA ILE A 45 2.841 -9.771 2.144 1.00 0.00 C ATOM 688 C ILE A 45 4.228 -9.384 2.663 1.00 0.00 C ATOM 689 O ILE A 45 5.229 -9.614 2.013 1.00 0.00 O ATOM 690 CB ILE A 45 2.218 -8.582 1.408 1.00 0.00 C ATOM 691 CG1 ILE A 45 1.012 -9.064 0.596 1.00 0.00 C ATOM 692 CG2 ILE A 45 3.252 -7.960 0.466 1.00 0.00 C ATOM 693 CD1 ILE A 45 0.055 -7.895 0.360 1.00 0.00 C ATOM 0 H ILE A 45 1.220 -9.495 3.505 1.00 0.00 H new ATOM 0 HA ILE A 45 2.933 -10.614 1.459 1.00 0.00 H new ATOM 0 HB ILE A 45 1.896 -7.835 2.133 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.343 -9.475 -0.358 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.499 -9.866 1.128 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.806 -7.114 -0.057 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.111 -7.618 1.043 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.577 -8.705 -0.261 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.803 -8.238 -0.218 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.286 -7.505 1.319 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.571 -7.108 -0.190 1.00 0.00 H new ATOM 705 N ARG A 46 4.295 -8.794 3.825 1.00 0.00 N ATOM 706 CA ARG A 46 5.619 -8.392 4.378 1.00 0.00 C ATOM 707 C ARG A 46 6.208 -9.546 5.193 1.00 0.00 C ATOM 708 O ARG A 46 7.058 -9.348 6.039 1.00 0.00 O ATOM 709 CB ARG A 46 5.446 -7.169 5.281 1.00 0.00 C ATOM 710 CG ARG A 46 5.085 -5.949 4.429 1.00 0.00 C ATOM 711 CD ARG A 46 6.247 -4.953 4.443 1.00 0.00 C ATOM 712 NE ARG A 46 6.771 -4.818 5.832 1.00 0.00 N ATOM 713 CZ ARG A 46 8.057 -4.864 6.049 1.00 0.00 C ATOM 714 NH1 ARG A 46 8.870 -4.167 5.305 1.00 0.00 N ATOM 715 NH2 ARG A 46 8.529 -5.608 7.011 1.00 0.00 N ATOM 0 H ARG A 46 3.492 -8.573 4.414 1.00 0.00 H new ATOM 0 HA ARG A 46 6.293 -8.147 3.557 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.664 -7.355 6.017 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.366 -6.980 5.834 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.869 -6.258 3.406 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.182 -5.476 4.816 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.039 -5.293 3.776 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.913 -3.983 4.073 1.00 0.00 H new ATOM 0 HE ARG A 46 6.126 -4.690 6.611 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.501 -3.585 4.553 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.875 -4.203 5.475 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.893 -6.153 7.593 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.534 -5.645 7.181 1.00 0.00 H new ATOM 729 N THR A 47 5.766 -10.750 4.948 1.00 0.00 N ATOM 730 CA THR A 47 6.308 -11.909 5.713 1.00 0.00 C ATOM 731 C THR A 47 6.960 -12.902 4.749 1.00 0.00 C ATOM 732 O THR A 47 8.147 -13.153 4.814 1.00 0.00 O ATOM 733 CB THR A 47 5.171 -12.603 6.468 1.00 0.00 C ATOM 734 OG1 THR A 47 3.960 -12.452 5.742 1.00 0.00 O ATOM 735 CG2 THR A 47 5.018 -11.977 7.853 1.00 0.00 C ATOM 0 H THR A 47 5.055 -10.981 4.254 1.00 0.00 H new ATOM 0 HA THR A 47 7.053 -11.553 6.425 1.00 0.00 H new ATOM 0 HB THR A 47 5.401 -13.663 6.575 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.137 -12.561 4.784 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.208 -12.472 8.389 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.947 -12.095 8.410 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.789 -10.916 7.750 1.00 0.00 H new ATOM 743 N ASP A 48 6.194 -13.472 3.860 1.00 0.00 N ATOM 744 CA ASP A 48 6.773 -14.452 2.897 1.00 0.00 C ATOM 745 C ASP A 48 7.090 -13.748 1.575 1.00 0.00 C ATOM 746 O ASP A 48 8.022 -14.101 0.881 1.00 0.00 O ATOM 747 CB ASP A 48 5.770 -15.583 2.637 1.00 0.00 C ATOM 748 CG ASP A 48 4.824 -15.728 3.833 1.00 0.00 C ATOM 749 OD1 ASP A 48 5.293 -16.119 4.890 1.00 0.00 O ATOM 750 OD2 ASP A 48 3.648 -15.447 3.670 1.00 0.00 O ATOM 0 H ASP A 48 5.193 -13.302 3.758 1.00 0.00 H new ATOM 0 HA ASP A 48 7.687 -14.868 3.321 1.00 0.00 H new ATOM 0 HB2 ASP A 48 5.198 -15.372 1.733 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.301 -16.520 2.467 1.00 0.00 H new ATOM 755 N GLU A 49 6.321 -12.755 1.219 1.00 0.00 N ATOM 756 CA GLU A 49 6.579 -12.036 -0.061 1.00 0.00 C ATOM 757 C GLU A 49 7.764 -11.083 0.113 1.00 0.00 C ATOM 758 O GLU A 49 8.649 -11.314 0.912 1.00 0.00 O ATOM 759 CB GLU A 49 5.336 -11.235 -0.456 1.00 0.00 C ATOM 760 CG GLU A 49 5.040 -11.447 -1.941 1.00 0.00 C ATOM 761 CD GLU A 49 3.767 -12.280 -2.095 1.00 0.00 C ATOM 762 OE1 GLU A 49 3.831 -13.473 -1.847 1.00 0.00 O ATOM 763 OE2 GLU A 49 2.751 -11.712 -2.456 1.00 0.00 O ATOM 0 H GLU A 49 5.526 -12.411 1.758 1.00 0.00 H new ATOM 0 HA GLU A 49 6.810 -12.761 -0.842 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.482 -11.550 0.144 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.494 -10.176 -0.254 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.920 -10.485 -2.439 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.878 -11.952 -2.421 1.00 0.00 H new ATOM 770 N ASN A 50 7.786 -10.011 -0.630 1.00 0.00 N ATOM 771 CA ASN A 50 8.910 -9.041 -0.513 1.00 0.00 C ATOM 772 C ASN A 50 8.358 -7.666 -0.127 1.00 0.00 C ATOM 773 O ASN A 50 9.099 -6.750 0.167 1.00 0.00 O ATOM 774 CB ASN A 50 9.636 -8.939 -1.857 1.00 0.00 C ATOM 775 CG ASN A 50 11.110 -9.305 -1.670 1.00 0.00 C ATOM 776 OD1 ASN A 50 11.441 -10.147 -0.860 1.00 0.00 O ATOM 777 ND2 ASN A 50 12.016 -8.705 -2.394 1.00 0.00 N ATOM 0 H ASN A 50 7.072 -9.765 -1.315 1.00 0.00 H new ATOM 0 HA ASN A 50 9.607 -9.382 0.253 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.174 -9.607 -2.584 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.549 -7.927 -2.254 1.00 0.00 H new ATOM 0 HD21 ASN A 50 13.001 -8.944 -2.279 1.00 0.00 H new ATOM 0 HD22 ASN A 50 11.739 -7.998 -3.075 1.00 0.00 H new ATOM 784 N GLY A 51 7.061 -7.514 -0.129 1.00 0.00 N ATOM 785 CA GLY A 51 6.466 -6.197 0.236 1.00 0.00 C ATOM 786 C GLY A 51 6.480 -5.276 -0.985 1.00 0.00 C ATOM 787 O GLY A 51 6.351 -4.072 -0.869 1.00 0.00 O ATOM 0 H GLY A 51 6.389 -8.244 -0.367 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.444 -6.333 0.591 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.029 -5.745 1.052 1.00 0.00 H new ATOM 791 N LEU A 52 6.639 -5.830 -2.155 1.00 0.00 N ATOM 792 CA LEU A 52 6.665 -4.985 -3.381 1.00 0.00 C ATOM 793 C LEU A 52 5.239 -4.778 -3.893 1.00 0.00 C ATOM 794 O LEU A 52 4.311 -5.434 -3.466 1.00 0.00 O ATOM 795 CB LEU A 52 7.491 -5.680 -4.465 1.00 0.00 C ATOM 796 CG LEU A 52 8.967 -5.323 -4.298 1.00 0.00 C ATOM 797 CD1 LEU A 52 9.796 -6.087 -5.332 1.00 0.00 C ATOM 798 CD2 LEU A 52 9.153 -3.819 -4.508 1.00 0.00 C ATOM 0 H LEU A 52 6.752 -6.831 -2.315 1.00 0.00 H new ATOM 0 HA LEU A 52 7.111 -4.020 -3.141 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.359 -6.760 -4.400 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.143 -5.375 -5.452 1.00 0.00 H new ATOM 0 HG LEU A 52 9.296 -5.595 -3.295 1.00 0.00 H new ATOM 0 HD11 LEU A 52 10.849 -5.833 -5.214 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.663 -7.159 -5.185 1.00 0.00 H new ATOM 0 HD13 LEU A 52 9.468 -5.814 -6.335 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.206 -3.562 -4.389 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.825 -3.548 -5.512 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.561 -3.273 -3.773 1.00 0.00 H new ATOM 810 N CYS A 53 5.066 -3.873 -4.814 1.00 0.00 N ATOM 811 CA CYS A 53 3.712 -3.614 -5.372 1.00 0.00 C ATOM 812 C CYS A 53 3.504 -4.503 -6.605 1.00 0.00 C ATOM 813 O CYS A 53 4.166 -4.320 -7.606 1.00 0.00 O ATOM 814 CB CYS A 53 3.613 -2.141 -5.779 1.00 0.00 C ATOM 815 SG CYS A 53 1.986 -1.808 -6.497 1.00 0.00 S ATOM 0 H CYS A 53 5.811 -3.297 -5.207 1.00 0.00 H new ATOM 0 HA CYS A 53 2.949 -3.838 -4.626 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.774 -1.503 -4.910 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.394 -1.901 -6.500 1.00 0.00 H new ATOM 820 N PRO A 54 2.596 -5.439 -6.503 1.00 0.00 N ATOM 821 CA PRO A 54 2.294 -6.361 -7.609 1.00 0.00 C ATOM 822 C PRO A 54 1.444 -5.658 -8.673 1.00 0.00 C ATOM 823 O PRO A 54 1.022 -6.258 -9.642 1.00 0.00 O ATOM 824 CB PRO A 54 1.514 -7.492 -6.933 1.00 0.00 C ATOM 825 CG PRO A 54 0.932 -6.900 -5.628 1.00 0.00 C ATOM 826 CD PRO A 54 1.789 -5.665 -5.287 1.00 0.00 C ATOM 0 HA PRO A 54 3.184 -6.720 -8.126 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.719 -7.858 -7.582 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.165 -8.339 -6.719 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -0.114 -6.622 -5.761 1.00 0.00 H new ATOM 0 HG3 PRO A 54 0.967 -7.632 -4.821 1.00 0.00 H new ATOM 0 HD2 PRO A 54 1.167 -4.800 -5.055 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.421 -5.846 -4.417 1.00 0.00 H new ATOM 834 N ALA A 55 1.191 -4.390 -8.497 1.00 0.00 N ATOM 835 CA ALA A 55 0.370 -3.647 -9.493 1.00 0.00 C ATOM 836 C ALA A 55 1.261 -2.690 -10.294 1.00 0.00 C ATOM 837 O ALA A 55 0.933 -2.309 -11.399 1.00 0.00 O ATOM 838 CB ALA A 55 -0.712 -2.845 -8.766 1.00 0.00 C ATOM 0 H ALA A 55 1.518 -3.836 -7.705 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.096 -4.359 -10.174 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.313 -2.301 -9.495 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.352 -3.524 -8.203 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.243 -2.138 -8.082 1.00 0.00 H new ATOM 844 N CYS A 56 2.384 -2.292 -9.751 1.00 0.00 N ATOM 845 CA CYS A 56 3.272 -1.357 -10.504 1.00 0.00 C ATOM 846 C CYS A 56 4.742 -1.594 -10.124 1.00 0.00 C ATOM 847 O CYS A 56 5.580 -0.730 -10.291 1.00 0.00 O ATOM 848 CB CYS A 56 2.858 0.097 -10.199 1.00 0.00 C ATOM 849 SG CYS A 56 3.735 0.735 -8.741 1.00 0.00 S ATOM 0 H CYS A 56 2.721 -2.571 -8.829 1.00 0.00 H new ATOM 0 HA CYS A 56 3.167 -1.540 -11.573 1.00 0.00 H new ATOM 0 HB2 CYS A 56 3.073 0.728 -11.061 1.00 0.00 H new ATOM 0 HB3 CYS A 56 1.782 0.144 -10.030 1.00 0.00 H new ATOM 854 N ARG A 57 5.062 -2.753 -9.615 1.00 0.00 N ATOM 855 CA ARG A 57 6.476 -3.033 -9.229 1.00 0.00 C ATOM 856 C ARG A 57 7.058 -1.823 -8.491 1.00 0.00 C ATOM 857 O ARG A 57 7.780 -1.026 -9.058 1.00 0.00 O ATOM 858 CB ARG A 57 7.306 -3.309 -10.485 1.00 0.00 C ATOM 859 CG ARG A 57 6.970 -4.701 -11.025 1.00 0.00 C ATOM 860 CD ARG A 57 7.729 -5.762 -10.223 1.00 0.00 C ATOM 861 NE ARG A 57 7.116 -7.099 -10.464 1.00 0.00 N ATOM 862 CZ ARG A 57 7.767 -8.002 -11.147 1.00 0.00 C ATOM 863 NH1 ARG A 57 9.016 -8.255 -10.869 1.00 0.00 N ATOM 864 NH2 ARG A 57 7.167 -8.654 -12.106 1.00 0.00 N ATOM 0 H ARG A 57 4.407 -3.517 -9.450 1.00 0.00 H new ATOM 0 HA ARG A 57 6.504 -3.905 -8.575 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.099 -2.554 -11.243 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.369 -3.245 -10.252 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.897 -4.879 -10.957 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.238 -4.767 -12.079 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.779 -5.773 -10.516 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.697 -5.522 -9.160 1.00 0.00 H new ATOM 0 HE ARG A 57 6.188 -7.309 -10.096 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.484 -7.748 -10.118 1.00 0.00 H new ATOM 0 HH12 ARG A 57 9.524 -8.960 -11.402 1.00 0.00 H new ATOM 0 HH21 ARG A 57 6.190 -8.458 -12.322 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.676 -9.359 -12.639 1.00 0.00 H new ATOM 878 N LYS A 58 6.754 -1.684 -7.229 1.00 0.00 N ATOM 879 CA LYS A 58 7.291 -0.533 -6.447 1.00 0.00 C ATOM 880 C LYS A 58 7.370 -0.933 -4.969 1.00 0.00 C ATOM 881 O LYS A 58 6.466 -1.556 -4.453 1.00 0.00 O ATOM 882 CB LYS A 58 6.358 0.670 -6.607 1.00 0.00 C ATOM 883 CG LYS A 58 6.762 1.468 -7.849 1.00 0.00 C ATOM 884 CD LYS A 58 6.374 2.937 -7.664 1.00 0.00 C ATOM 885 CE LYS A 58 7.471 3.831 -8.246 1.00 0.00 C ATOM 886 NZ LYS A 58 7.169 5.256 -7.933 1.00 0.00 N ATOM 0 H LYS A 58 6.154 -2.320 -6.704 1.00 0.00 H new ATOM 0 HA LYS A 58 8.284 -0.266 -6.809 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.325 0.333 -6.698 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.410 1.304 -5.722 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.836 1.383 -8.015 1.00 0.00 H new ATOM 0 HG3 LYS A 58 6.270 1.060 -8.732 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.424 3.139 -8.160 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.234 3.157 -6.606 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.440 3.554 -7.830 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.535 3.690 -9.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.914 5.864 -8.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.253 5.516 -8.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.129 5.384 -6.902 1.00 0.00 H new ATOM 900 N PRO A 59 8.450 -0.569 -4.327 1.00 0.00 N ATOM 901 CA PRO A 59 8.667 -0.898 -2.906 1.00 0.00 C ATOM 902 C PRO A 59 7.782 -0.034 -2.007 1.00 0.00 C ATOM 903 O PRO A 59 7.857 1.179 -2.025 1.00 0.00 O ATOM 904 CB PRO A 59 10.153 -0.594 -2.690 1.00 0.00 C ATOM 905 CG PRO A 59 10.563 0.394 -3.806 1.00 0.00 C ATOM 906 CD PRO A 59 9.542 0.210 -4.945 1.00 0.00 C ATOM 0 HA PRO A 59 8.412 -1.929 -2.661 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.321 -0.159 -1.705 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.747 -1.506 -2.741 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.555 1.420 -3.439 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.575 0.188 -4.154 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.185 1.169 -5.319 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.980 -0.319 -5.791 1.00 0.00 H new ATOM 914 N TYR A 60 6.939 -0.655 -1.224 1.00 0.00 N ATOM 915 CA TYR A 60 6.040 0.124 -0.321 1.00 0.00 C ATOM 916 C TYR A 60 6.824 1.279 0.310 1.00 0.00 C ATOM 917 O TYR A 60 7.993 1.140 0.607 1.00 0.00 O ATOM 918 CB TYR A 60 5.507 -0.788 0.789 1.00 0.00 C ATOM 919 CG TYR A 60 4.907 -2.042 0.194 1.00 0.00 C ATOM 920 CD1 TYR A 60 4.543 -2.081 -1.160 1.00 0.00 C ATOM 921 CD2 TYR A 60 4.708 -3.166 1.003 1.00 0.00 C ATOM 922 CE1 TYR A 60 3.981 -3.245 -1.699 1.00 0.00 C ATOM 923 CE2 TYR A 60 4.148 -4.328 0.463 1.00 0.00 C ATOM 924 CZ TYR A 60 3.784 -4.369 -0.886 1.00 0.00 C ATOM 925 OH TYR A 60 3.227 -5.515 -1.415 1.00 0.00 O ATOM 0 H TYR A 60 6.834 -1.668 -1.171 1.00 0.00 H new ATOM 0 HA TYR A 60 5.206 0.519 -0.900 1.00 0.00 H new ATOM 0 HB2 TYR A 60 6.315 -1.052 1.472 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.755 -0.259 1.374 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.696 -1.214 -1.786 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.987 -3.136 2.046 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.699 -3.276 -2.741 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.997 -5.195 1.089 1.00 0.00 H new ATOM 0 HH TYR A 60 3.234 -5.461 -2.393 1.00 0.00 H new ATOM 935 N PRO A 61 6.154 2.390 0.493 1.00 0.00 N ATOM 936 CA PRO A 61 6.766 3.593 1.086 1.00 0.00 C ATOM 937 C PRO A 61 6.850 3.460 2.609 1.00 0.00 C ATOM 938 O PRO A 61 6.062 4.031 3.336 1.00 0.00 O ATOM 939 CB PRO A 61 5.805 4.717 0.689 1.00 0.00 C ATOM 940 CG PRO A 61 4.441 4.044 0.399 1.00 0.00 C ATOM 941 CD PRO A 61 4.730 2.555 0.125 1.00 0.00 C ATOM 0 HA PRO A 61 7.786 3.767 0.742 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.714 5.451 1.490 1.00 0.00 H new ATOM 0 HB3 PRO A 61 6.171 5.248 -0.190 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.766 4.157 1.247 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.955 4.508 -0.459 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.087 1.908 0.721 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.557 2.301 -0.921 1.00 0.00 H new ATOM 949 N GLU A 62 7.802 2.713 3.099 1.00 0.00 N ATOM 950 CA GLU A 62 7.939 2.550 4.574 1.00 0.00 C ATOM 951 C GLU A 62 9.415 2.653 4.961 1.00 0.00 C ATOM 952 O GLU A 62 10.138 1.676 4.952 1.00 0.00 O ATOM 953 CB GLU A 62 7.396 1.180 4.989 1.00 0.00 C ATOM 954 CG GLU A 62 5.889 1.280 5.232 1.00 0.00 C ATOM 955 CD GLU A 62 5.137 0.818 3.983 1.00 0.00 C ATOM 956 OE1 GLU A 62 5.424 1.335 2.917 1.00 0.00 O ATOM 957 OE2 GLU A 62 4.285 -0.045 4.114 1.00 0.00 O ATOM 0 H GLU A 62 8.491 2.209 2.541 1.00 0.00 H new ATOM 0 HA GLU A 62 7.374 3.332 5.081 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.602 0.445 4.211 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.899 0.836 5.893 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.607 0.666 6.087 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.617 2.307 5.474 1.00 0.00 H new ATOM 964 N ASP A 63 9.871 3.830 5.298 1.00 0.00 N ATOM 965 CA ASP A 63 11.302 3.991 5.679 1.00 0.00 C ATOM 966 C ASP A 63 12.185 3.353 4.600 1.00 0.00 C ATOM 967 O ASP A 63 12.528 2.191 4.689 1.00 0.00 O ATOM 968 CB ASP A 63 11.556 3.301 7.022 1.00 0.00 C ATOM 969 CG ASP A 63 12.720 3.988 7.738 1.00 0.00 C ATOM 970 OD1 ASP A 63 13.634 4.425 7.059 1.00 0.00 O ATOM 971 OD2 ASP A 63 12.677 4.065 8.955 1.00 0.00 O ATOM 0 H ASP A 63 9.315 4.685 5.326 1.00 0.00 H new ATOM 0 HA ASP A 63 11.540 5.051 5.769 1.00 0.00 H new ATOM 0 HB2 ASP A 63 10.659 3.344 7.640 1.00 0.00 H new ATOM 0 HB3 ASP A 63 11.784 2.247 6.864 1.00 0.00 H new ATOM 976 N PRO A 64 12.520 4.139 3.609 1.00 0.00 N ATOM 977 CA PRO A 64 13.360 3.685 2.486 1.00 0.00 C ATOM 978 C PRO A 64 14.833 3.630 2.904 1.00 0.00 C ATOM 979 O PRO A 64 15.706 3.365 2.102 1.00 0.00 O ATOM 980 CB PRO A 64 13.133 4.756 1.415 1.00 0.00 C ATOM 981 CG PRO A 64 12.650 6.023 2.159 1.00 0.00 C ATOM 982 CD PRO A 64 12.095 5.551 3.516 1.00 0.00 C ATOM 0 HA PRO A 64 13.109 2.682 2.140 1.00 0.00 H new ATOM 0 HB2 PRO A 64 14.052 4.956 0.865 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.391 4.426 0.687 1.00 0.00 H new ATOM 0 HG2 PRO A 64 13.471 6.726 2.299 1.00 0.00 H new ATOM 0 HG3 PRO A 64 11.881 6.540 1.585 1.00 0.00 H new ATOM 0 HD2 PRO A 64 12.497 6.143 4.338 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.010 5.644 3.557 1.00 0.00 H new ATOM 990 N ALA A 65 15.118 3.878 4.154 1.00 0.00 N ATOM 991 CA ALA A 65 16.533 3.837 4.617 1.00 0.00 C ATOM 992 C ALA A 65 17.337 4.911 3.885 1.00 0.00 C ATOM 993 O ALA A 65 18.446 4.676 3.451 1.00 0.00 O ATOM 994 CB ALA A 65 17.132 2.465 4.309 1.00 0.00 C ATOM 0 H ALA A 65 14.432 4.107 4.873 1.00 0.00 H new ATOM 0 HA ALA A 65 16.568 4.018 5.691 1.00 0.00 H new ATOM 0 HB1 ALA A 65 18.168 2.436 4.648 1.00 0.00 H new ATOM 0 HB2 ALA A 65 16.559 1.694 4.824 1.00 0.00 H new ATOM 0 HB3 ALA A 65 17.097 2.286 3.234 1.00 0.00 H new ATOM 1000 N VAL A 66 16.780 6.085 3.745 1.00 0.00 N ATOM 1001 CA VAL A 66 17.496 7.188 3.041 1.00 0.00 C ATOM 1002 C VAL A 66 17.323 7.036 1.529 1.00 0.00 C ATOM 1003 O VAL A 66 16.681 7.842 0.885 1.00 0.00 O ATOM 1004 CB VAL A 66 18.986 7.153 3.393 1.00 0.00 C ATOM 1005 CG1 VAL A 66 19.614 8.512 3.082 1.00 0.00 C ATOM 1006 CG2 VAL A 66 19.149 6.846 4.884 1.00 0.00 C ATOM 0 H VAL A 66 15.852 6.328 4.091 1.00 0.00 H new ATOM 0 HA VAL A 66 17.075 8.142 3.359 1.00 0.00 H new ATOM 0 HB VAL A 66 19.481 6.380 2.805 1.00 0.00 H new ATOM 0 HG11 VAL A 66 20.675 8.488 3.332 1.00 0.00 H new ATOM 0 HG12 VAL A 66 19.496 8.733 2.021 1.00 0.00 H new ATOM 0 HG13 VAL A 66 19.119 9.285 3.671 1.00 0.00 H new ATOM 0 HG21 VAL A 66 20.209 6.821 5.136 1.00 0.00 H new ATOM 0 HG22 VAL A 66 18.655 7.620 5.471 1.00 0.00 H new ATOM 0 HG23 VAL A 66 18.700 5.878 5.108 1.00 0.00 H new ATOM 1016 N TYR A 67 17.892 6.012 0.953 1.00 0.00 N ATOM 1017 CA TYR A 67 17.758 5.821 -0.518 1.00 0.00 C ATOM 1018 C TYR A 67 18.165 7.111 -1.230 1.00 0.00 C ATOM 1019 O TYR A 67 17.333 7.898 -1.635 1.00 0.00 O ATOM 1020 CB TYR A 67 16.305 5.485 -0.861 1.00 0.00 C ATOM 1021 CG TYR A 67 16.232 4.094 -1.442 1.00 0.00 C ATOM 1022 CD1 TYR A 67 17.077 3.087 -0.961 1.00 0.00 C ATOM 1023 CD2 TYR A 67 15.316 3.810 -2.463 1.00 0.00 C ATOM 1024 CE1 TYR A 67 17.007 1.797 -1.501 1.00 0.00 C ATOM 1025 CE2 TYR A 67 15.245 2.521 -3.002 1.00 0.00 C ATOM 1026 CZ TYR A 67 16.091 1.514 -2.522 1.00 0.00 C ATOM 1027 OH TYR A 67 16.021 0.243 -3.053 1.00 0.00 O ATOM 0 H TYR A 67 18.442 5.302 1.436 1.00 0.00 H new ATOM 0 HA TYR A 67 18.402 5.004 -0.841 1.00 0.00 H new ATOM 0 HB2 TYR A 67 15.685 5.550 0.033 1.00 0.00 H new ATOM 0 HB3 TYR A 67 15.912 6.209 -1.574 1.00 0.00 H new ATOM 0 HD1 TYR A 67 17.783 3.305 -0.173 1.00 0.00 H new ATOM 0 HD2 TYR A 67 14.664 4.587 -2.834 1.00 0.00 H new ATOM 0 HE1 TYR A 67 17.659 1.020 -1.130 1.00 0.00 H new ATOM 0 HE2 TYR A 67 14.538 2.303 -3.788 1.00 0.00 H new ATOM 0 HH TYR A 67 15.333 0.217 -3.750 1.00 0.00 H new ATOM 1037 N LYS A 68 19.442 7.337 -1.380 1.00 0.00 N ATOM 1038 CA LYS A 68 19.904 8.579 -2.059 1.00 0.00 C ATOM 1039 C LYS A 68 21.172 8.281 -2.864 1.00 0.00 C ATOM 1040 O LYS A 68 22.269 8.411 -2.359 1.00 0.00 O ATOM 1041 CB LYS A 68 20.210 9.645 -1.005 1.00 0.00 C ATOM 1042 CG LYS A 68 19.957 11.036 -1.590 1.00 0.00 C ATOM 1043 CD LYS A 68 20.931 12.036 -0.964 1.00 0.00 C ATOM 1044 CE LYS A 68 20.158 13.046 -0.115 1.00 0.00 C ATOM 1045 NZ LYS A 68 21.095 14.084 0.398 1.00 0.00 N ATOM 0 H LYS A 68 20.185 6.715 -1.061 1.00 0.00 H new ATOM 0 HA LYS A 68 19.125 8.939 -2.731 1.00 0.00 H new ATOM 0 HB2 LYS A 68 19.585 9.491 -0.125 1.00 0.00 H new ATOM 0 HB3 LYS A 68 21.246 9.560 -0.678 1.00 0.00 H new ATOM 0 HG2 LYS A 68 20.085 11.016 -2.672 1.00 0.00 H new ATOM 0 HG3 LYS A 68 18.929 11.343 -1.396 1.00 0.00 H new ATOM 0 HD2 LYS A 68 21.660 11.511 -0.347 1.00 0.00 H new ATOM 0 HD3 LYS A 68 21.488 12.554 -1.745 1.00 0.00 H new ATOM 0 HE2 LYS A 68 19.373 13.512 -0.710 1.00 0.00 H new ATOM 0 HE3 LYS A 68 19.669 12.539 0.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 20.570 14.771 0.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 21.829 13.632 0.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 21.542 14.575 -0.403 1.00 0.00 H new ATOM 1059 N PRO A 69 20.979 7.889 -4.098 1.00 0.00 N ATOM 1060 CA PRO A 69 22.088 7.559 -5.010 1.00 0.00 C ATOM 1061 C PRO A 69 22.718 8.834 -5.579 1.00 0.00 C ATOM 1062 O PRO A 69 23.768 9.266 -5.147 1.00 0.00 O ATOM 1063 CB PRO A 69 21.411 6.750 -6.118 1.00 0.00 C ATOM 1064 CG PRO A 69 19.914 7.139 -6.091 1.00 0.00 C ATOM 1065 CD PRO A 69 19.638 7.732 -4.696 1.00 0.00 C ATOM 0 HA PRO A 69 22.895 7.016 -4.519 1.00 0.00 H new ATOM 0 HB2 PRO A 69 21.853 6.975 -7.089 1.00 0.00 H new ATOM 0 HB3 PRO A 69 21.537 5.680 -5.950 1.00 0.00 H new ATOM 0 HG2 PRO A 69 19.688 7.865 -6.872 1.00 0.00 H new ATOM 0 HG3 PRO A 69 19.284 6.268 -6.273 1.00 0.00 H new ATOM 0 HD2 PRO A 69 19.118 8.688 -4.765 1.00 0.00 H new ATOM 0 HD3 PRO A 69 19.011 7.070 -4.099 1.00 0.00 H new ATOM 1073 N LEU A 70 22.089 9.436 -6.553 1.00 0.00 N ATOM 1074 CA LEU A 70 22.658 10.675 -7.153 1.00 0.00 C ATOM 1075 C LEU A 70 24.080 10.388 -7.635 1.00 0.00 C ATOM 1076 O LEU A 70 24.901 11.277 -7.750 1.00 0.00 O ATOM 1077 CB LEU A 70 22.688 11.790 -6.106 1.00 0.00 C ATOM 1078 CG LEU A 70 21.882 12.988 -6.612 1.00 0.00 C ATOM 1079 CD1 LEU A 70 22.041 14.158 -5.642 1.00 0.00 C ATOM 1080 CD2 LEU A 70 22.395 13.400 -7.993 1.00 0.00 C ATOM 0 H LEU A 70 21.207 9.123 -6.958 1.00 0.00 H new ATOM 0 HA LEU A 70 22.040 10.991 -7.993 1.00 0.00 H new ATOM 0 HB2 LEU A 70 22.273 11.430 -5.165 1.00 0.00 H new ATOM 0 HB3 LEU A 70 23.717 12.089 -5.907 1.00 0.00 H new ATOM 0 HG LEU A 70 20.829 12.713 -6.680 1.00 0.00 H new ATOM 0 HD11 LEU A 70 21.466 15.011 -6.003 1.00 0.00 H new ATOM 0 HD12 LEU A 70 21.677 13.866 -4.657 1.00 0.00 H new ATOM 0 HD13 LEU A 70 23.094 14.433 -5.573 1.00 0.00 H new ATOM 0 HD21 LEU A 70 21.821 14.253 -8.354 1.00 0.00 H new ATOM 0 HD22 LEU A 70 23.448 13.674 -7.923 1.00 0.00 H new ATOM 0 HD23 LEU A 70 22.282 12.567 -8.687 1.00 0.00 H new ATOM 1092 N SER A 71 24.373 9.150 -7.918 1.00 0.00 N ATOM 1093 CA SER A 71 25.738 8.790 -8.394 1.00 0.00 C ATOM 1094 C SER A 71 25.689 7.416 -9.061 1.00 0.00 C ATOM 1095 O SER A 71 26.323 7.181 -10.070 1.00 0.00 O ATOM 1096 CB SER A 71 26.699 8.749 -7.206 1.00 0.00 C ATOM 1097 OG SER A 71 27.914 9.395 -7.560 1.00 0.00 O ATOM 0 H SER A 71 23.723 8.368 -7.840 1.00 0.00 H new ATOM 0 HA SER A 71 26.085 9.534 -9.111 1.00 0.00 H new ATOM 0 HB2 SER A 71 26.250 9.242 -6.344 1.00 0.00 H new ATOM 0 HB3 SER A 71 26.894 7.716 -6.917 1.00 0.00 H new ATOM 0 HG SER A 71 28.531 9.371 -6.799 1.00 0.00 H new ATOM 1103 N GLN A 72 24.935 6.508 -8.505 1.00 0.00 N ATOM 1104 CA GLN A 72 24.836 5.147 -9.106 1.00 0.00 C ATOM 1105 C GLN A 72 26.204 4.456 -9.035 1.00 0.00 C ATOM 1106 O GLN A 72 26.650 4.065 -7.975 1.00 0.00 O ATOM 1107 CB GLN A 72 24.373 5.271 -10.560 1.00 0.00 C ATOM 1108 CG GLN A 72 23.028 5.997 -10.608 1.00 0.00 C ATOM 1109 CD GLN A 72 22.794 6.552 -12.015 1.00 0.00 C ATOM 1110 OE1 GLN A 72 23.713 6.638 -12.806 1.00 0.00 O ATOM 1111 NE2 GLN A 72 21.595 6.932 -12.362 1.00 0.00 N ATOM 0 H GLN A 72 24.382 6.650 -7.659 1.00 0.00 H new ATOM 0 HA GLN A 72 24.112 4.547 -8.554 1.00 0.00 H new ATOM 0 HB2 GLN A 72 25.114 5.818 -11.143 1.00 0.00 H new ATOM 0 HB3 GLN A 72 24.280 4.282 -11.009 1.00 0.00 H new ATOM 0 HG2 GLN A 72 22.224 5.312 -10.338 1.00 0.00 H new ATOM 0 HG3 GLN A 72 23.015 6.808 -9.879 1.00 0.00 H new ATOM 0 HE21 GLN A 72 20.825 6.859 -11.697 1.00 0.00 H new ATOM 0 HE22 GLN A 72 21.428 7.302 -13.298 1.00 0.00 H new ATOM 1120 N GLU A 73 26.878 4.298 -10.145 1.00 0.00 N ATOM 1121 CA GLU A 73 28.210 3.632 -10.111 1.00 0.00 C ATOM 1122 C GLU A 73 29.115 4.354 -9.111 1.00 0.00 C ATOM 1123 O GLU A 73 29.034 5.554 -8.943 1.00 0.00 O ATOM 1124 CB GLU A 73 28.839 3.684 -11.505 1.00 0.00 C ATOM 1125 CG GLU A 73 27.945 2.935 -12.495 1.00 0.00 C ATOM 1126 CD GLU A 73 28.215 3.441 -13.913 1.00 0.00 C ATOM 1127 OE1 GLU A 73 29.345 3.319 -14.358 1.00 0.00 O ATOM 1128 OE2 GLU A 73 27.289 3.940 -14.530 1.00 0.00 O ATOM 0 H GLU A 73 26.564 4.600 -11.067 1.00 0.00 H new ATOM 0 HA GLU A 73 28.092 2.592 -9.805 1.00 0.00 H new ATOM 0 HB2 GLU A 73 28.963 4.720 -11.822 1.00 0.00 H new ATOM 0 HB3 GLU A 73 29.832 3.236 -11.485 1.00 0.00 H new ATOM 0 HG2 GLU A 73 28.138 1.864 -12.437 1.00 0.00 H new ATOM 0 HG3 GLU A 73 26.896 3.084 -12.238 1.00 0.00 H new ATOM 1135 N GLU A 74 29.973 3.634 -8.442 1.00 0.00 N ATOM 1136 CA GLU A 74 30.877 4.283 -7.450 1.00 0.00 C ATOM 1137 C GLU A 74 32.195 4.665 -8.126 1.00 0.00 C ATOM 1138 O GLU A 74 32.811 3.868 -8.805 1.00 0.00 O ATOM 1139 CB GLU A 74 31.157 3.311 -6.302 1.00 0.00 C ATOM 1140 CG GLU A 74 30.700 3.935 -4.982 1.00 0.00 C ATOM 1141 CD GLU A 74 29.569 3.099 -4.382 1.00 0.00 C ATOM 1142 OE1 GLU A 74 29.827 1.964 -4.017 1.00 0.00 O ATOM 1143 OE2 GLU A 74 28.464 3.609 -4.297 1.00 0.00 O ATOM 0 H GLU A 74 30.087 2.625 -8.539 1.00 0.00 H new ATOM 0 HA GLU A 74 30.398 5.181 -7.060 1.00 0.00 H new ATOM 0 HB2 GLU A 74 30.634 2.370 -6.472 1.00 0.00 H new ATOM 0 HB3 GLU A 74 32.221 3.080 -6.258 1.00 0.00 H new ATOM 0 HG2 GLU A 74 31.536 3.987 -4.285 1.00 0.00 H new ATOM 0 HG3 GLU A 74 30.360 4.957 -5.150 1.00 0.00 H new ATOM 1150 N LEU A 75 32.634 5.881 -7.942 1.00 0.00 N ATOM 1151 CA LEU A 75 33.912 6.317 -8.572 1.00 0.00 C ATOM 1152 C LEU A 75 34.735 7.108 -7.552 1.00 0.00 C ATOM 1153 O LEU A 75 34.459 8.259 -7.276 1.00 0.00 O ATOM 1154 CB LEU A 75 33.608 7.206 -9.779 1.00 0.00 C ATOM 1155 CG LEU A 75 33.435 6.335 -11.024 1.00 0.00 C ATOM 1156 CD1 LEU A 75 31.978 6.389 -11.489 1.00 0.00 C ATOM 1157 CD2 LEU A 75 34.345 6.857 -12.139 1.00 0.00 C ATOM 0 H LEU A 75 32.162 6.591 -7.382 1.00 0.00 H new ATOM 0 HA LEU A 75 34.475 5.443 -8.898 1.00 0.00 H new ATOM 0 HB2 LEU A 75 32.702 7.785 -9.599 1.00 0.00 H new ATOM 0 HB3 LEU A 75 34.418 7.920 -9.931 1.00 0.00 H new ATOM 0 HG LEU A 75 33.701 5.305 -10.787 1.00 0.00 H new ATOM 0 HD11 LEU A 75 31.856 5.768 -12.376 1.00 0.00 H new ATOM 0 HD12 LEU A 75 31.329 6.019 -10.695 1.00 0.00 H new ATOM 0 HD13 LEU A 75 31.710 7.418 -11.727 1.00 0.00 H new ATOM 0 HD21 LEU A 75 34.224 6.238 -13.028 1.00 0.00 H new ATOM 0 HD22 LEU A 75 34.077 7.887 -12.375 1.00 0.00 H new ATOM 0 HD23 LEU A 75 35.383 6.819 -11.809 1.00 0.00 H new ATOM 1169 N GLN A 76 35.743 6.502 -6.989 1.00 0.00 N ATOM 1170 CA GLN A 76 36.580 7.221 -5.986 1.00 0.00 C ATOM 1171 C GLN A 76 37.856 7.733 -6.657 1.00 0.00 C ATOM 1172 O GLN A 76 38.953 7.491 -6.192 1.00 0.00 O ATOM 1173 CB GLN A 76 36.948 6.266 -4.848 1.00 0.00 C ATOM 1174 CG GLN A 76 36.064 6.557 -3.633 1.00 0.00 C ATOM 1175 CD GLN A 76 36.893 7.254 -2.552 1.00 0.00 C ATOM 1176 OE1 GLN A 76 38.101 7.334 -2.654 1.00 0.00 O ATOM 1177 NE2 GLN A 76 36.291 7.766 -1.514 1.00 0.00 N ATOM 0 H GLN A 76 36.024 5.540 -7.179 1.00 0.00 H new ATOM 0 HA GLN A 76 36.019 8.065 -5.584 1.00 0.00 H new ATOM 0 HB2 GLN A 76 36.815 5.233 -5.169 1.00 0.00 H new ATOM 0 HB3 GLN A 76 37.999 6.385 -4.584 1.00 0.00 H new ATOM 0 HG2 GLN A 76 35.224 7.187 -3.924 1.00 0.00 H new ATOM 0 HG3 GLN A 76 35.646 5.629 -3.243 1.00 0.00 H new ATOM 0 HE21 GLN A 76 35.277 7.699 -1.428 1.00 0.00 H new ATOM 0 HE22 GLN A 76 36.834 8.233 -0.788 1.00 0.00 H new ATOM 1186 N ARG A 77 37.723 8.444 -7.742 1.00 0.00 N ATOM 1187 CA ARG A 77 38.928 8.976 -8.438 1.00 0.00 C ATOM 1188 C ARG A 77 39.924 7.840 -8.676 1.00 0.00 C ATOM 1189 O ARG A 77 41.120 8.051 -8.727 1.00 0.00 O ATOM 1190 CB ARG A 77 39.579 10.056 -7.573 1.00 0.00 C ATOM 1191 CG ARG A 77 39.359 11.426 -8.216 1.00 0.00 C ATOM 1192 CD ARG A 77 38.106 12.072 -7.622 1.00 0.00 C ATOM 1193 NE ARG A 77 37.863 13.384 -8.285 1.00 0.00 N ATOM 1194 CZ ARG A 77 37.783 14.473 -7.569 1.00 0.00 C ATOM 1195 NH1 ARG A 77 38.794 15.296 -7.517 1.00 0.00 N ATOM 1196 NH2 ARG A 77 36.690 14.739 -6.906 1.00 0.00 N ATOM 0 H ARG A 77 36.831 8.680 -8.177 1.00 0.00 H new ATOM 0 HA ARG A 77 38.635 9.406 -9.396 1.00 0.00 H new ATOM 0 HB2 ARG A 77 39.152 10.040 -6.570 1.00 0.00 H new ATOM 0 HB3 ARG A 77 40.646 9.859 -7.468 1.00 0.00 H new ATOM 0 HG2 ARG A 77 40.226 12.064 -8.045 1.00 0.00 H new ATOM 0 HG3 ARG A 77 39.250 11.320 -9.295 1.00 0.00 H new ATOM 0 HD2 ARG A 77 37.246 11.417 -7.761 1.00 0.00 H new ATOM 0 HD3 ARG A 77 38.230 12.212 -6.548 1.00 0.00 H new ATOM 0 HE ARG A 77 37.759 13.432 -9.299 1.00 0.00 H new ATOM 0 HH11 ARG A 77 39.647 15.089 -8.036 1.00 0.00 H new ATOM 0 HH12 ARG A 77 38.731 16.147 -6.958 1.00 0.00 H new ATOM 0 HH21 ARG A 77 35.899 14.096 -6.948 1.00 0.00 H new ATOM 0 HH22 ARG A 77 36.627 15.590 -6.347 1.00 0.00 H new ATOM 1210 N ILE A 78 39.443 6.635 -8.820 1.00 0.00 N ATOM 1211 CA ILE A 78 40.365 5.488 -9.055 1.00 0.00 C ATOM 1212 C ILE A 78 39.686 4.468 -9.971 1.00 0.00 C ATOM 1213 O ILE A 78 39.071 3.552 -9.451 1.00 0.00 O ATOM 1214 CB ILE A 78 40.705 4.824 -7.720 1.00 0.00 C ATOM 1215 CG1 ILE A 78 41.409 5.837 -6.815 1.00 0.00 C ATOM 1216 CG2 ILE A 78 41.629 3.628 -7.963 1.00 0.00 C ATOM 1217 CD1 ILE A 78 41.529 5.264 -5.402 1.00 0.00 C ATOM 1218 OXT ILE A 78 39.795 4.619 -11.178 1.00 0.00 O ATOM 0 H ILE A 78 38.452 6.396 -8.785 1.00 0.00 H new ATOM 0 HA ILE A 78 41.280 5.849 -9.525 1.00 0.00 H new ATOM 0 HB ILE A 78 39.788 4.481 -7.240 1.00 0.00 H new ATOM 0 HG12 ILE A 78 42.398 6.067 -7.210 1.00 0.00 H new ATOM 0 HG13 ILE A 78 40.849 6.772 -6.793 1.00 0.00 H new ATOM 0 HG21 ILE A 78 41.871 3.156 -7.011 1.00 0.00 H new ATOM 0 HG22 ILE A 78 41.128 2.907 -8.609 1.00 0.00 H new ATOM 0 HG23 ILE A 78 42.547 3.969 -8.442 1.00 0.00 H new ATOM 0 HD11 ILE A 78 42.031 5.986 -4.758 1.00 0.00 H new ATOM 0 HD12 ILE A 78 40.534 5.056 -5.008 1.00 0.00 H new ATOM 0 HD13 ILE A 78 42.108 4.341 -5.432 1.00 0.00 H new TER 1230 ILE A 78 HETATM 1231 ZN ZN A 79 -7.080 -7.829 1.747 1.00 0.00 ZN HETATM 1232 ZN ZN A 80 2.282 0.416 -6.986 1.00 0.00 ZN