USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 472 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 GLU N :NH3+ 172:sc= 0 (180deg=-0.0526) USER MOD Single : A 10 SER OG : rot 180:sc= -0.013 USER MOD Single : A 13 ASN : amide:sc= -3.3! K(o=-3.3!,f=-1.4) USER MOD Single : A 20 THR OG1 : rot 180:sc=-0.00275 USER MOD Single : A 22 LYS NZ :NH3+ -159:sc= -0.0415 (180deg=-0.664) USER MOD Single : A 25 GLN : amide:sc= -0.0159 X(o=-0.016,f=0) USER MOD Single : A 28 GLN : amide:sc= -4.65! C(o=-4.7!,f=-9.5!) USER MOD Single : A 37 GLN : amide:sc= -1.22 K(o=-1.2,f=-4.4!) USER MOD Single : A 41 MET CE :methyl 162:sc= 0 (180deg=-0.46) USER MOD Single : A 42 LYS NZ :NH3+ -156:sc= -1.86! (180deg=-2.82!) USER MOD Single : A 45 THR OG1 : rot -58:sc= -6.32! USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -9.16! C(o=-9.2!,f=-12!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -3.13! C(o=-3.1!,f=-3!) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -9.689 10.675 5.863 1.00 0.00 N ATOM 2 CA GLU A 1 -8.597 9.718 6.182 1.00 0.00 C ATOM 3 C GLU A 1 -8.176 8.928 4.947 1.00 0.00 C ATOM 4 O GLU A 1 -7.929 7.725 5.022 1.00 0.00 O ATOM 5 CB GLU A 1 -9.087 8.767 7.275 1.00 0.00 C ATOM 6 CG GLU A 1 -7.963 8.093 8.045 1.00 0.00 C ATOM 7 CD GLU A 1 -8.264 7.968 9.525 1.00 0.00 C ATOM 8 OE1 GLU A 1 -9.306 7.372 9.871 1.00 0.00 O ATOM 9 OE2 GLU A 1 -7.458 8.466 10.339 1.00 0.00 O ATOM 0 H1 GLU A 1 -10.047 11.099 6.743 1.00 0.00 H new ATOM 0 H2 GLU A 1 -9.323 11.424 5.241 1.00 0.00 H new ATOM 0 H3 GLU A 1 -10.462 10.172 5.382 1.00 0.00 H new ATOM 0 HA GLU A 1 -7.725 10.273 6.528 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -9.713 9.322 7.974 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -9.717 8.001 6.823 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -7.786 7.101 7.629 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -7.044 8.663 7.912 1.00 0.00 H new ATOM 18 N ALA A 2 -8.097 9.613 3.811 1.00 0.00 N ATOM 19 CA ALA A 2 -7.706 8.973 2.560 1.00 0.00 C ATOM 20 C ALA A 2 -6.188 8.921 2.423 1.00 0.00 C ATOM 21 O ALA A 2 -5.495 9.894 2.720 1.00 0.00 O ATOM 22 CB ALA A 2 -8.319 9.707 1.378 1.00 0.00 C ATOM 0 H ALA A 2 -8.298 10.610 3.731 1.00 0.00 H new ATOM 0 HA ALA A 2 -8.080 7.949 2.571 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -8.019 9.219 0.451 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -9.406 9.689 1.462 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -7.973 10.740 1.372 1.00 0.00 H new ATOM 28 N GLY A 3 -5.677 7.780 1.972 1.00 0.00 N ATOM 29 CA GLY A 3 -4.244 7.625 1.807 1.00 0.00 C ATOM 30 C GLY A 3 -3.470 8.104 3.020 1.00 0.00 C ATOM 31 O GLY A 3 -3.248 9.304 3.187 1.00 0.00 O ATOM 0 H GLY A 3 -6.229 6.961 1.718 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -4.013 6.576 1.622 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -3.919 8.182 0.928 1.00 0.00 H new ATOM 35 N GLU A 4 -3.064 7.167 3.873 1.00 0.00 N ATOM 36 CA GLU A 4 -2.316 7.504 5.080 1.00 0.00 C ATOM 37 C GLU A 4 -1.377 8.684 4.836 1.00 0.00 C ATOM 38 O GLU A 4 -1.782 9.841 4.940 1.00 0.00 O ATOM 39 CB GLU A 4 -1.522 6.290 5.568 1.00 0.00 C ATOM 40 CG GLU A 4 -2.392 5.186 6.144 1.00 0.00 C ATOM 41 CD GLU A 4 -1.881 4.679 7.478 1.00 0.00 C ATOM 42 OE1 GLU A 4 -0.671 4.832 7.748 1.00 0.00 O ATOM 43 OE2 GLU A 4 -2.691 4.128 8.254 1.00 0.00 O ATOM 0 H GLU A 4 -3.240 6.170 3.751 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.031 7.794 5.850 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -0.942 5.888 4.737 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.810 6.613 6.327 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.410 5.556 6.266 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.437 4.357 5.437 1.00 0.00 H new ATOM 50 N GLU A 5 -0.122 8.385 4.513 1.00 0.00 N ATOM 51 CA GLU A 5 0.872 9.421 4.256 1.00 0.00 C ATOM 52 C GLU A 5 2.074 8.841 3.519 1.00 0.00 C ATOM 53 O GLU A 5 2.784 7.988 4.051 1.00 0.00 O ATOM 54 CB GLU A 5 1.327 10.062 5.569 1.00 0.00 C ATOM 55 CG GLU A 5 0.180 10.451 6.489 1.00 0.00 C ATOM 56 CD GLU A 5 0.657 11.124 7.762 1.00 0.00 C ATOM 57 OE1 GLU A 5 1.224 10.423 8.627 1.00 0.00 O ATOM 58 OE2 GLU A 5 0.462 12.350 7.894 1.00 0.00 O ATOM 0 H GLU A 5 0.231 7.432 4.423 1.00 0.00 H new ATOM 0 HA GLU A 5 0.412 10.185 3.629 1.00 0.00 H new ATOM 0 HB2 GLU A 5 1.983 9.367 6.094 1.00 0.00 H new ATOM 0 HB3 GLU A 5 1.918 10.950 5.344 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -0.495 11.122 5.958 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -0.393 9.560 6.746 1.00 0.00 H new ATOM 65 N CYS A 6 2.294 9.304 2.292 1.00 0.00 N ATOM 66 CA CYS A 6 3.410 8.822 1.484 1.00 0.00 C ATOM 67 C CYS A 6 3.180 9.132 0.008 1.00 0.00 C ATOM 68 O CYS A 6 2.193 8.692 -0.583 1.00 0.00 O ATOM 69 CB CYS A 6 3.587 7.316 1.690 1.00 0.00 C ATOM 70 SG CYS A 6 4.586 6.481 0.417 1.00 0.00 S ATOM 0 H CYS A 6 1.716 10.010 1.836 1.00 0.00 H new ATOM 0 HA CYS A 6 4.318 9.334 1.801 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.050 7.149 2.662 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.602 6.850 1.722 1.00 0.00 H new ATOM 75 N ASP A 7 4.094 9.897 -0.580 1.00 0.00 N ATOM 76 CA ASP A 7 3.988 10.271 -1.986 1.00 0.00 C ATOM 77 C ASP A 7 4.216 9.064 -2.889 1.00 0.00 C ATOM 78 O ASP A 7 3.627 8.961 -3.964 1.00 0.00 O ATOM 79 CB ASP A 7 4.997 11.371 -2.319 1.00 0.00 C ATOM 80 CG ASP A 7 4.906 12.547 -1.366 1.00 0.00 C ATOM 81 OD1 ASP A 7 3.820 12.758 -0.786 1.00 0.00 O ATOM 82 OD2 ASP A 7 5.920 13.256 -1.199 1.00 0.00 O ATOM 0 H ASP A 7 4.916 10.270 -0.105 1.00 0.00 H new ATOM 0 HA ASP A 7 2.980 10.647 -2.162 1.00 0.00 H new ATOM 0 HB2 ASP A 7 6.005 10.958 -2.286 1.00 0.00 H new ATOM 0 HB3 ASP A 7 4.828 11.719 -3.338 1.00 0.00 H new ATOM 87 N CYS A 8 5.071 8.152 -2.442 1.00 0.00 N ATOM 88 CA CYS A 8 5.373 6.948 -3.208 1.00 0.00 C ATOM 89 C CYS A 8 4.395 5.818 -2.877 1.00 0.00 C ATOM 90 O CYS A 8 4.645 4.670 -3.226 1.00 0.00 O ATOM 91 CB CYS A 8 6.762 6.414 -2.877 1.00 0.00 C ATOM 92 SG CYS A 8 8.136 7.596 -2.739 1.00 0.00 S ATOM 0 H CYS A 8 5.567 8.223 -1.554 1.00 0.00 H new ATOM 0 HA CYS A 8 5.302 7.236 -4.257 1.00 0.00 H new ATOM 0 HB2 CYS A 8 6.693 5.874 -1.933 1.00 0.00 H new ATOM 0 HB3 CYS A 8 7.028 5.685 -3.642 1.00 0.00 H new ATOM 97 N GLY A 9 3.311 6.123 -2.177 1.00 0.00 N ATOM 98 CA GLY A 9 2.369 5.096 -1.795 1.00 0.00 C ATOM 99 C GLY A 9 1.420 4.744 -2.903 1.00 0.00 C ATOM 100 O GLY A 9 0.344 5.330 -3.018 1.00 0.00 O ATOM 0 H GLY A 9 3.069 7.064 -1.868 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.914 4.203 -1.491 1.00 0.00 H new ATOM 0 HA3 GLY A 9 1.801 5.433 -0.928 1.00 0.00 H new ATOM 104 N SER A 10 1.809 3.783 -3.723 1.00 0.00 N ATOM 105 CA SER A 10 0.963 3.371 -4.817 1.00 0.00 C ATOM 106 C SER A 10 0.997 1.860 -5.010 1.00 0.00 C ATOM 107 O SER A 10 2.059 1.240 -4.943 1.00 0.00 O ATOM 108 CB SER A 10 1.373 4.077 -6.110 1.00 0.00 C ATOM 109 OG SER A 10 1.711 5.432 -5.868 1.00 0.00 O ATOM 0 H SER A 10 2.695 3.282 -3.650 1.00 0.00 H new ATOM 0 HA SER A 10 -0.059 3.656 -4.567 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.224 3.561 -6.555 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.556 4.026 -6.830 1.00 0.00 H new ATOM 0 HG SER A 10 1.971 5.860 -6.711 1.00 0.00 H new ATOM 115 N PRO A 11 -0.168 1.247 -5.271 1.00 0.00 N ATOM 116 CA PRO A 11 -0.265 -0.197 -5.494 1.00 0.00 C ATOM 117 C PRO A 11 0.670 -0.638 -6.609 1.00 0.00 C ATOM 118 O PRO A 11 0.300 -0.635 -7.783 1.00 0.00 O ATOM 119 CB PRO A 11 -1.731 -0.415 -5.894 1.00 0.00 C ATOM 120 CG PRO A 11 -2.259 0.942 -6.226 1.00 0.00 C ATOM 121 CD PRO A 11 -1.473 1.909 -5.389 1.00 0.00 C ATOM 0 HA PRO A 11 0.021 -0.775 -4.615 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.809 -1.087 -6.749 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -2.297 -0.868 -5.080 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.139 1.158 -7.288 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -3.324 1.011 -6.005 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.390 2.885 -5.868 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.935 2.070 -4.415 1.00 0.00 H new ATOM 129 N GLY A 12 1.894 -0.984 -6.236 1.00 0.00 N ATOM 130 CA GLY A 12 2.883 -1.387 -7.215 1.00 0.00 C ATOM 131 C GLY A 12 4.133 -0.544 -7.092 1.00 0.00 C ATOM 132 O GLY A 12 5.201 -0.916 -7.578 1.00 0.00 O ATOM 0 H GLY A 12 2.220 -0.993 -5.270 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.133 -2.439 -7.075 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.469 -1.288 -8.219 1.00 0.00 H new ATOM 136 N ASN A 13 3.985 0.592 -6.412 1.00 0.00 N ATOM 137 CA ASN A 13 5.088 1.510 -6.172 1.00 0.00 C ATOM 138 C ASN A 13 5.351 1.587 -4.674 1.00 0.00 C ATOM 139 O ASN A 13 5.140 2.614 -4.040 1.00 0.00 O ATOM 140 CB ASN A 13 4.767 2.899 -6.728 1.00 0.00 C ATOM 141 CG ASN A 13 4.219 2.844 -8.140 1.00 0.00 C ATOM 142 OD1 ASN A 13 4.861 3.303 -9.085 1.00 0.00 O ATOM 143 ND2 ASN A 13 3.025 2.282 -8.292 1.00 0.00 N ATOM 0 H ASN A 13 3.097 0.898 -6.014 1.00 0.00 H new ATOM 0 HA ASN A 13 5.979 1.143 -6.682 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.041 3.389 -6.078 1.00 0.00 H new ATOM 0 HB3 ASN A 13 5.670 3.510 -6.715 1.00 0.00 H new ATOM 0 HD21 ASN A 13 2.606 2.218 -9.220 1.00 0.00 H new ATOM 0 HD22 ASN A 13 2.527 1.914 -7.481 1.00 0.00 H new ATOM 150 N PRO A 14 5.812 0.474 -4.100 1.00 0.00 N ATOM 151 CA PRO A 14 6.118 0.336 -2.681 1.00 0.00 C ATOM 152 C PRO A 14 6.612 1.619 -2.029 1.00 0.00 C ATOM 153 O PRO A 14 7.819 1.841 -1.972 1.00 0.00 O ATOM 154 CB PRO A 14 7.235 -0.725 -2.682 1.00 0.00 C ATOM 155 CG PRO A 14 7.335 -1.222 -4.097 1.00 0.00 C ATOM 156 CD PRO A 14 6.088 -0.772 -4.793 1.00 0.00 C ATOM 0 HA PRO A 14 5.231 0.073 -2.105 1.00 0.00 H new ATOM 0 HB2 PRO A 14 8.181 -0.296 -2.352 1.00 0.00 H new ATOM 0 HB3 PRO A 14 6.999 -1.540 -1.998 1.00 0.00 H new ATOM 0 HG2 PRO A 14 8.221 -0.819 -4.588 1.00 0.00 H new ATOM 0 HG3 PRO A 14 7.423 -2.308 -4.122 1.00 0.00 H new ATOM 0 HD2 PRO A 14 6.244 -0.623 -5.861 1.00 0.00 H new ATOM 0 HD3 PRO A 14 5.275 -1.491 -4.687 1.00 0.00 H new ATOM 164 N CYS A 15 5.667 2.434 -1.511 1.00 0.00 N ATOM 165 CA CYS A 15 5.982 3.700 -0.829 1.00 0.00 C ATOM 166 C CYS A 15 7.421 4.105 -1.039 1.00 0.00 C ATOM 167 O CYS A 15 8.132 4.405 -0.084 1.00 0.00 O ATOM 168 CB CYS A 15 5.686 3.641 0.672 1.00 0.00 C ATOM 169 SG CYS A 15 5.783 5.259 1.509 1.00 0.00 S ATOM 0 H CYS A 15 4.669 2.230 -1.556 1.00 0.00 H new ATOM 0 HA CYS A 15 5.332 4.450 -1.279 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.689 3.226 0.820 1.00 0.00 H new ATOM 0 HB3 CYS A 15 6.390 2.956 1.144 1.00 0.00 H new ATOM 174 N CYS A 16 7.803 4.136 -2.313 1.00 0.00 N ATOM 175 CA CYS A 16 9.129 4.529 -2.753 1.00 0.00 C ATOM 176 C CYS A 16 9.915 3.330 -3.267 1.00 0.00 C ATOM 177 O CYS A 16 10.012 2.302 -2.600 1.00 0.00 O ATOM 178 CB CYS A 16 9.908 5.250 -1.653 1.00 0.00 C ATOM 179 SG CYS A 16 9.212 6.880 -1.149 1.00 0.00 S ATOM 0 H CYS A 16 7.182 3.882 -3.081 1.00 0.00 H new ATOM 0 HA CYS A 16 8.995 5.232 -3.575 1.00 0.00 H new ATOM 0 HB2 CYS A 16 9.952 4.604 -0.776 1.00 0.00 H new ATOM 0 HB3 CYS A 16 10.933 5.398 -1.992 1.00 0.00 H new ATOM 184 N ASP A 17 10.463 3.471 -4.470 1.00 0.00 N ATOM 185 CA ASP A 17 11.233 2.399 -5.093 1.00 0.00 C ATOM 186 C ASP A 17 12.434 2.942 -5.870 1.00 0.00 C ATOM 187 O ASP A 17 13.455 2.263 -5.997 1.00 0.00 O ATOM 188 CB ASP A 17 10.338 1.581 -6.026 1.00 0.00 C ATOM 189 CG ASP A 17 9.604 2.448 -7.029 1.00 0.00 C ATOM 190 OD1 ASP A 17 9.104 3.522 -6.633 1.00 0.00 O ATOM 191 OD2 ASP A 17 9.528 2.054 -8.212 1.00 0.00 O ATOM 0 H ASP A 17 10.388 4.318 -5.034 1.00 0.00 H new ATOM 0 HA ASP A 17 11.611 1.759 -4.296 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.945 0.849 -6.558 1.00 0.00 H new ATOM 0 HB3 ASP A 17 9.613 1.023 -5.433 1.00 0.00 H new ATOM 196 N ALA A 18 12.306 4.156 -6.409 1.00 0.00 N ATOM 197 CA ALA A 18 13.381 4.772 -7.180 1.00 0.00 C ATOM 198 C ALA A 18 13.372 4.284 -8.624 1.00 0.00 C ATOM 199 O ALA A 18 13.629 5.049 -9.554 1.00 0.00 O ATOM 200 CB ALA A 18 14.727 4.482 -6.532 1.00 0.00 C ATOM 0 H ALA A 18 11.467 4.730 -6.324 1.00 0.00 H new ATOM 0 HA ALA A 18 13.217 5.850 -7.188 1.00 0.00 H new ATOM 0 HB1 ALA A 18 15.520 4.947 -7.117 1.00 0.00 H new ATOM 0 HB2 ALA A 18 14.738 4.886 -5.520 1.00 0.00 H new ATOM 0 HB3 ALA A 18 14.888 3.405 -6.494 1.00 0.00 H new ATOM 206 N ALA A 19 13.075 3.004 -8.799 1.00 0.00 N ATOM 207 CA ALA A 19 13.030 2.394 -10.115 1.00 0.00 C ATOM 208 C ALA A 19 12.440 0.990 -10.038 1.00 0.00 C ATOM 209 O ALA A 19 11.766 0.538 -10.964 1.00 0.00 O ATOM 210 CB ALA A 19 14.422 2.358 -10.720 1.00 0.00 C ATOM 0 H ALA A 19 12.860 2.364 -8.035 1.00 0.00 H new ATOM 0 HA ALA A 19 12.386 2.996 -10.756 1.00 0.00 H new ATOM 0 HB1 ALA A 19 14.378 1.898 -11.707 1.00 0.00 H new ATOM 0 HB2 ALA A 19 14.806 3.374 -10.809 1.00 0.00 H new ATOM 0 HB3 ALA A 19 15.083 1.776 -10.078 1.00 0.00 H new ATOM 216 N THR A 20 12.696 0.303 -8.925 1.00 0.00 N ATOM 217 CA THR A 20 12.186 -1.049 -8.727 1.00 0.00 C ATOM 218 C THR A 20 11.871 -1.295 -7.256 1.00 0.00 C ATOM 219 O THR A 20 12.683 -0.994 -6.381 1.00 0.00 O ATOM 220 CB THR A 20 13.202 -2.079 -9.224 1.00 0.00 C ATOM 221 OG1 THR A 20 13.541 -1.838 -10.578 1.00 0.00 O ATOM 222 CG2 THR A 20 12.705 -3.505 -9.122 1.00 0.00 C ATOM 0 H THR A 20 13.253 0.662 -8.149 1.00 0.00 H new ATOM 0 HA THR A 20 11.266 -1.154 -9.302 1.00 0.00 H new ATOM 0 HB THR A 20 14.070 -1.965 -8.574 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.193 -2.506 -10.876 1.00 0.00 H new ATOM 0 HG21 THR A 20 13.473 -4.185 -9.490 1.00 0.00 H new ATOM 0 HG22 THR A 20 12.482 -3.739 -8.081 1.00 0.00 H new ATOM 0 HG23 THR A 20 11.802 -3.619 -9.721 1.00 0.00 H new ATOM 230 N CYS A 21 10.688 -1.841 -6.990 1.00 0.00 N ATOM 231 CA CYS A 21 10.265 -2.125 -5.625 1.00 0.00 C ATOM 232 C CYS A 21 11.449 -2.558 -4.761 1.00 0.00 C ATOM 233 O CYS A 21 11.775 -3.743 -4.691 1.00 0.00 O ATOM 234 CB CYS A 21 9.187 -3.214 -5.624 1.00 0.00 C ATOM 235 SG CYS A 21 7.702 -2.801 -6.599 1.00 0.00 S ATOM 0 H CYS A 21 10.005 -2.095 -7.704 1.00 0.00 H new ATOM 0 HA CYS A 21 9.851 -1.210 -5.200 1.00 0.00 H new ATOM 0 HB2 CYS A 21 9.618 -4.136 -6.014 1.00 0.00 H new ATOM 0 HB3 CYS A 21 8.888 -3.412 -4.595 1.00 0.00 H new ATOM 240 N LYS A 22 12.089 -1.592 -4.103 1.00 0.00 N ATOM 241 CA LYS A 22 13.235 -1.885 -3.245 1.00 0.00 C ATOM 242 C LYS A 22 13.655 -0.665 -2.425 1.00 0.00 C ATOM 243 O LYS A 22 14.695 -0.061 -2.689 1.00 0.00 O ATOM 244 CB LYS A 22 14.414 -2.371 -4.090 1.00 0.00 C ATOM 245 CG LYS A 22 15.179 -3.525 -3.462 1.00 0.00 C ATOM 246 CD LYS A 22 15.778 -3.132 -2.122 1.00 0.00 C ATOM 247 CE LYS A 22 17.019 -3.951 -1.805 1.00 0.00 C ATOM 248 NZ LYS A 22 16.903 -5.351 -2.300 1.00 0.00 N ATOM 0 H LYS A 22 11.835 -0.605 -4.147 1.00 0.00 H new ATOM 0 HA LYS A 22 12.934 -2.669 -2.550 1.00 0.00 H new ATOM 0 HB2 LYS A 22 14.046 -2.680 -5.068 1.00 0.00 H new ATOM 0 HB3 LYS A 22 15.099 -1.539 -4.255 1.00 0.00 H new ATOM 0 HG2 LYS A 22 14.511 -4.376 -3.328 1.00 0.00 H new ATOM 0 HG3 LYS A 22 15.973 -3.847 -4.136 1.00 0.00 H new ATOM 0 HD2 LYS A 22 16.033 -2.072 -2.133 1.00 0.00 H new ATOM 0 HD3 LYS A 22 15.037 -3.273 -1.335 1.00 0.00 H new ATOM 0 HE2 LYS A 22 17.891 -3.478 -2.256 1.00 0.00 H new ATOM 0 HE3 LYS A 22 17.183 -3.960 -0.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 17.568 -5.959 -1.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 15.932 -5.693 -2.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 17.128 -5.380 -3.315 1.00 0.00 H new ATOM 262 N LEU A 23 12.851 -0.309 -1.423 1.00 0.00 N ATOM 263 CA LEU A 23 13.161 0.834 -0.568 1.00 0.00 C ATOM 264 C LEU A 23 13.651 0.377 0.801 1.00 0.00 C ATOM 265 O LEU A 23 13.498 -0.788 1.170 1.00 0.00 O ATOM 266 CB LEU A 23 11.936 1.737 -0.404 1.00 0.00 C ATOM 267 CG LEU A 23 10.700 1.070 0.204 1.00 0.00 C ATOM 268 CD1 LEU A 23 9.752 2.121 0.757 1.00 0.00 C ATOM 269 CD2 LEU A 23 9.993 0.209 -0.831 1.00 0.00 C ATOM 0 H LEU A 23 11.985 -0.793 -1.185 1.00 0.00 H new ATOM 0 HA LEU A 23 13.957 1.401 -1.052 1.00 0.00 H new ATOM 0 HB2 LEU A 23 12.213 2.586 0.221 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.667 2.136 -1.382 1.00 0.00 H new ATOM 0 HG LEU A 23 11.022 0.427 1.023 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.877 1.632 1.186 1.00 0.00 H new ATOM 0 HD12 LEU A 23 10.260 2.699 1.529 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.438 2.787 -0.047 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.117 -0.257 -0.380 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.682 0.831 -1.670 1.00 0.00 H new ATOM 0 HD23 LEU A 23 10.673 -0.565 -1.186 1.00 0.00 H new ATOM 281 N ARG A 24 14.239 1.304 1.552 1.00 0.00 N ATOM 282 CA ARG A 24 14.751 0.999 2.883 1.00 0.00 C ATOM 283 C ARG A 24 13.734 1.371 3.957 1.00 0.00 C ATOM 284 O ARG A 24 13.896 1.024 5.126 1.00 0.00 O ATOM 285 CB ARG A 24 16.066 1.739 3.129 1.00 0.00 C ATOM 286 CG ARG A 24 17.228 1.205 2.308 1.00 0.00 C ATOM 287 CD ARG A 24 18.564 1.526 2.957 1.00 0.00 C ATOM 288 NE ARG A 24 19.275 0.320 3.373 1.00 0.00 N ATOM 289 CZ ARG A 24 20.402 0.336 4.077 1.00 0.00 C ATOM 290 NH1 ARG A 24 20.943 1.490 4.441 1.00 0.00 N ATOM 291 NH2 ARG A 24 20.990 -0.803 4.417 1.00 0.00 N ATOM 0 H ARG A 24 14.372 2.272 1.261 1.00 0.00 H new ATOM 0 HA ARG A 24 14.932 -0.075 2.938 1.00 0.00 H new ATOM 0 HB2 ARG A 24 15.927 2.796 2.901 1.00 0.00 H new ATOM 0 HB3 ARG A 24 16.319 1.672 4.187 1.00 0.00 H new ATOM 0 HG2 ARG A 24 17.128 0.126 2.194 1.00 0.00 H new ATOM 0 HG3 ARG A 24 17.196 1.636 1.307 1.00 0.00 H new ATOM 0 HD2 ARG A 24 19.182 2.087 2.256 1.00 0.00 H new ATOM 0 HD3 ARG A 24 18.401 2.168 3.823 1.00 0.00 H new ATOM 0 HE ARG A 24 18.885 -0.585 3.109 1.00 0.00 H new ATOM 0 HH11 ARG A 24 20.494 2.368 4.181 1.00 0.00 H new ATOM 0 HH12 ARG A 24 21.808 1.500 4.981 1.00 0.00 H new ATOM 0 HH21 ARG A 24 20.577 -1.693 4.138 1.00 0.00 H new ATOM 0 HH22 ARG A 24 21.855 -0.789 4.957 1.00 0.00 H new ATOM 305 N GLN A 25 12.685 2.076 3.549 1.00 0.00 N ATOM 306 CA GLN A 25 11.637 2.492 4.475 1.00 0.00 C ATOM 307 C GLN A 25 10.546 1.432 4.570 1.00 0.00 C ATOM 308 O GLN A 25 9.642 1.528 5.400 1.00 0.00 O ATOM 309 CB GLN A 25 11.035 3.827 4.032 1.00 0.00 C ATOM 310 CG GLN A 25 12.073 4.912 3.795 1.00 0.00 C ATOM 311 CD GLN A 25 11.598 5.969 2.818 1.00 0.00 C ATOM 312 OE1 GLN A 25 11.355 7.115 3.196 1.00 0.00 O ATOM 313 NE2 GLN A 25 11.464 5.588 1.553 1.00 0.00 N ATOM 0 H GLN A 25 12.537 2.372 2.584 1.00 0.00 H new ATOM 0 HA GLN A 25 12.084 2.616 5.461 1.00 0.00 H new ATOM 0 HB2 GLN A 25 10.466 3.673 3.115 1.00 0.00 H new ATOM 0 HB3 GLN A 25 10.331 4.169 4.791 1.00 0.00 H new ATOM 0 HG2 GLN A 25 12.322 5.386 4.745 1.00 0.00 H new ATOM 0 HG3 GLN A 25 12.988 4.457 3.416 1.00 0.00 H new ATOM 0 HE21 GLN A 25 11.677 4.627 1.284 1.00 0.00 H new ATOM 0 HE22 GLN A 25 11.148 6.256 0.850 1.00 0.00 H new ATOM 322 N GLY A 26 10.641 0.418 3.716 1.00 0.00 N ATOM 323 CA GLY A 26 9.663 -0.652 3.718 1.00 0.00 C ATOM 324 C GLY A 26 8.240 -0.151 3.569 1.00 0.00 C ATOM 325 O GLY A 26 7.541 0.065 4.559 1.00 0.00 O ATOM 0 H GLY A 26 11.381 0.319 3.021 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.886 -1.343 2.905 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.749 -1.215 4.648 1.00 0.00 H new ATOM 329 N ALA A 27 7.814 0.045 2.326 1.00 0.00 N ATOM 330 CA ALA A 27 6.472 0.534 2.029 1.00 0.00 C ATOM 331 C ALA A 27 5.346 -0.462 2.367 1.00 0.00 C ATOM 332 O ALA A 27 4.360 -0.537 1.634 1.00 0.00 O ATOM 333 CB ALA A 27 6.400 0.882 0.557 1.00 0.00 C ATOM 0 H ALA A 27 8.386 -0.129 1.499 1.00 0.00 H new ATOM 0 HA ALA A 27 6.308 1.404 2.665 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.402 1.250 0.318 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.135 1.654 0.329 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.611 -0.007 -0.038 1.00 0.00 H new ATOM 339 N GLN A 28 5.469 -1.222 3.457 1.00 0.00 N ATOM 340 CA GLN A 28 4.428 -2.183 3.823 1.00 0.00 C ATOM 341 C GLN A 28 3.073 -1.515 4.044 1.00 0.00 C ATOM 342 O GLN A 28 2.730 -1.145 5.167 1.00 0.00 O ATOM 343 CB GLN A 28 4.805 -2.954 5.083 1.00 0.00 C ATOM 344 CG GLN A 28 6.288 -3.209 5.230 1.00 0.00 C ATOM 345 CD GLN A 28 6.960 -2.260 6.204 1.00 0.00 C ATOM 346 OE1 GLN A 28 8.043 -1.741 5.935 1.00 0.00 O ATOM 347 NE2 GLN A 28 6.324 -2.035 7.349 1.00 0.00 N ATOM 0 H GLN A 28 6.266 -1.192 4.093 1.00 0.00 H new ATOM 0 HA GLN A 28 4.345 -2.870 2.981 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.454 -2.400 5.954 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.281 -3.910 5.082 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.443 -4.234 5.565 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.765 -3.117 4.254 1.00 0.00 H new ATOM 0 HE21 GLN A 28 5.428 -2.486 7.532 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.732 -1.411 8.045 1.00 0.00 H new ATOM 356 N CYS A 29 2.300 -1.378 2.973 1.00 0.00 N ATOM 357 CA CYS A 29 0.976 -0.773 3.055 1.00 0.00 C ATOM 358 C CYS A 29 1.067 0.658 3.553 1.00 0.00 C ATOM 359 O CYS A 29 0.458 1.016 4.561 1.00 0.00 O ATOM 360 CB CYS A 29 0.065 -1.584 3.983 1.00 0.00 C ATOM 361 SG CYS A 29 -0.295 -3.274 3.400 1.00 0.00 S ATOM 0 H CYS A 29 2.568 -1.678 2.036 1.00 0.00 H new ATOM 0 HA CYS A 29 0.549 -0.771 2.052 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.530 -1.644 4.967 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -0.876 -1.048 4.107 1.00 0.00 H new ATOM 366 N ALA A 30 1.822 1.477 2.838 1.00 0.00 N ATOM 367 CA ALA A 30 1.976 2.876 3.214 1.00 0.00 C ATOM 368 C ALA A 30 0.768 3.672 2.738 1.00 0.00 C ATOM 369 O ALA A 30 -0.341 3.142 2.700 1.00 0.00 O ATOM 370 CB ALA A 30 3.261 3.450 2.640 1.00 0.00 C ATOM 0 H ALA A 30 2.335 1.202 2.000 1.00 0.00 H new ATOM 0 HA ALA A 30 2.037 2.945 4.300 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.355 4.496 2.933 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.113 2.888 3.022 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.237 3.379 1.553 1.00 0.00 H new ATOM 376 N GLU A 31 0.973 4.932 2.343 1.00 0.00 N ATOM 377 CA GLU A 31 -0.133 5.743 1.836 1.00 0.00 C ATOM 378 C GLU A 31 -0.987 4.866 0.941 1.00 0.00 C ATOM 379 O GLU A 31 -2.209 4.996 0.878 1.00 0.00 O ATOM 380 CB GLU A 31 0.391 6.951 1.058 1.00 0.00 C ATOM 381 CG GLU A 31 -0.699 7.745 0.357 1.00 0.00 C ATOM 382 CD GLU A 31 -0.497 9.243 0.477 1.00 0.00 C ATOM 383 OE1 GLU A 31 -0.612 9.770 1.604 1.00 0.00 O ATOM 384 OE2 GLU A 31 -0.223 9.890 -0.556 1.00 0.00 O ATOM 0 H GLU A 31 1.877 5.404 2.364 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.726 6.123 2.668 1.00 0.00 H new ATOM 0 HB2 GLU A 31 0.925 7.610 1.743 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.113 6.609 0.317 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.724 7.469 -0.697 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.667 7.478 0.780 1.00 0.00 H new ATOM 391 N GLY A 32 -0.304 3.936 0.293 1.00 0.00 N ATOM 392 CA GLY A 32 -0.947 2.975 -0.561 1.00 0.00 C ATOM 393 C GLY A 32 -0.275 1.631 -0.419 1.00 0.00 C ATOM 394 O GLY A 32 0.562 1.452 0.467 1.00 0.00 O ATOM 0 H GLY A 32 0.709 3.834 0.350 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.002 2.893 -0.301 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.899 3.308 -1.598 1.00 0.00 H new ATOM 398 N LEU A 33 -0.627 0.677 -1.260 1.00 0.00 N ATOM 399 CA LEU A 33 -0.024 -0.643 -1.163 1.00 0.00 C ATOM 400 C LEU A 33 1.439 -0.626 -1.604 1.00 0.00 C ATOM 401 O LEU A 33 1.960 0.402 -2.035 1.00 0.00 O ATOM 402 CB LEU A 33 -0.822 -1.659 -1.977 1.00 0.00 C ATOM 403 CG LEU A 33 -0.917 -3.068 -1.379 1.00 0.00 C ATOM 404 CD1 LEU A 33 -0.009 -4.020 -2.135 1.00 0.00 C ATOM 405 CD2 LEU A 33 -0.582 -3.077 0.108 1.00 0.00 C ATOM 0 H LEU A 33 -1.314 0.785 -2.006 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.048 -0.942 -0.115 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.833 -1.274 -2.113 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.374 -1.735 -2.968 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.949 -3.403 -1.481 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.085 -5.017 -1.701 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.310 -4.056 -3.182 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.022 -3.672 -2.066 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.661 -4.094 0.493 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.435 -2.712 0.254 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.280 -2.432 0.642 1.00 0.00 H new ATOM 417 N CYS A 34 2.098 -1.775 -1.467 1.00 0.00 N ATOM 418 CA CYS A 34 3.507 -1.909 -1.822 1.00 0.00 C ATOM 419 C CYS A 34 3.753 -3.174 -2.631 1.00 0.00 C ATOM 420 O CYS A 34 2.900 -4.058 -2.701 1.00 0.00 O ATOM 421 CB CYS A 34 4.358 -1.922 -0.541 1.00 0.00 C ATOM 422 SG CYS A 34 5.769 -3.084 -0.532 1.00 0.00 S ATOM 0 H CYS A 34 1.674 -2.631 -1.110 1.00 0.00 H new ATOM 0 HA CYS A 34 3.792 -1.058 -2.441 1.00 0.00 H new ATOM 0 HB2 CYS A 34 4.740 -0.915 -0.372 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.709 -2.162 0.301 1.00 0.00 H new ATOM 427 N CYS A 35 4.933 -3.254 -3.234 1.00 0.00 N ATOM 428 CA CYS A 35 5.294 -4.417 -4.029 1.00 0.00 C ATOM 429 C CYS A 35 6.708 -4.913 -3.700 1.00 0.00 C ATOM 430 O CYS A 35 7.119 -5.982 -4.150 1.00 0.00 O ATOM 431 CB CYS A 35 5.157 -4.093 -5.531 1.00 0.00 C ATOM 432 SG CYS A 35 6.606 -4.512 -6.567 1.00 0.00 S ATOM 0 H CYS A 35 5.651 -2.531 -3.187 1.00 0.00 H new ATOM 0 HA CYS A 35 4.606 -5.225 -3.779 1.00 0.00 H new ATOM 0 HB2 CYS A 35 4.289 -4.624 -5.921 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.953 -3.028 -5.637 1.00 0.00 H new ATOM 437 N ASP A 36 7.445 -4.128 -2.926 1.00 0.00 N ATOM 438 CA ASP A 36 8.809 -4.475 -2.547 1.00 0.00 C ATOM 439 C ASP A 36 8.824 -5.376 -1.319 1.00 0.00 C ATOM 440 O ASP A 36 7.808 -5.533 -0.641 1.00 0.00 O ATOM 441 CB ASP A 36 9.603 -3.198 -2.255 1.00 0.00 C ATOM 442 CG ASP A 36 10.961 -3.478 -1.645 1.00 0.00 C ATOM 443 OD1 ASP A 36 11.678 -4.355 -2.170 1.00 0.00 O ATOM 444 OD2 ASP A 36 11.307 -2.821 -0.641 1.00 0.00 O ATOM 0 H ASP A 36 7.118 -3.240 -2.546 1.00 0.00 H new ATOM 0 HA ASP A 36 9.267 -5.015 -3.376 1.00 0.00 H new ATOM 0 HB2 ASP A 36 9.734 -2.637 -3.181 1.00 0.00 H new ATOM 0 HB3 ASP A 36 9.029 -2.565 -1.578 1.00 0.00 H new ATOM 449 N GLN A 37 9.987 -5.950 -1.022 1.00 0.00 N ATOM 450 CA GLN A 37 10.131 -6.812 0.142 1.00 0.00 C ATOM 451 C GLN A 37 9.452 -6.175 1.350 1.00 0.00 C ATOM 452 O GLN A 37 9.064 -6.872 2.287 1.00 0.00 O ATOM 453 CB GLN A 37 11.609 -7.065 0.443 1.00 0.00 C ATOM 454 CG GLN A 37 12.398 -7.565 -0.756 1.00 0.00 C ATOM 455 CD GLN A 37 11.852 -8.866 -1.311 1.00 0.00 C ATOM 456 OE1 GLN A 37 10.898 -9.432 -0.775 1.00 0.00 O ATOM 457 NE2 GLN A 37 12.456 -9.350 -2.390 1.00 0.00 N ATOM 0 H GLN A 37 10.839 -5.833 -1.571 1.00 0.00 H new ATOM 0 HA GLN A 37 9.653 -7.768 -0.072 1.00 0.00 H new ATOM 0 HB2 GLN A 37 12.061 -6.141 0.805 1.00 0.00 H new ATOM 0 HB3 GLN A 37 11.687 -7.795 1.249 1.00 0.00 H new ATOM 0 HG2 GLN A 37 12.383 -6.806 -1.538 1.00 0.00 H new ATOM 0 HG3 GLN A 37 13.440 -7.706 -0.468 1.00 0.00 H new ATOM 0 HE21 GLN A 37 13.243 -8.849 -2.802 1.00 0.00 H new ATOM 0 HE22 GLN A 37 12.133 -10.223 -2.807 1.00 0.00 H new ATOM 466 N CYS A 38 9.323 -4.842 1.302 1.00 0.00 N ATOM 467 CA CYS A 38 8.694 -4.057 2.364 1.00 0.00 C ATOM 468 C CYS A 38 7.892 -4.925 3.327 1.00 0.00 C ATOM 469 O CYS A 38 8.081 -4.840 4.538 1.00 0.00 O ATOM 470 CB CYS A 38 7.803 -2.965 1.746 1.00 0.00 C ATOM 471 SG CYS A 38 6.078 -3.464 1.434 1.00 0.00 S ATOM 0 H CYS A 38 9.655 -4.278 0.519 1.00 0.00 H new ATOM 0 HA CYS A 38 9.488 -3.591 2.947 1.00 0.00 H new ATOM 0 HB2 CYS A 38 7.801 -2.100 2.410 1.00 0.00 H new ATOM 0 HB3 CYS A 38 8.248 -2.643 0.805 1.00 0.00 H new ATOM 476 N ARG A 39 6.998 -5.745 2.775 1.00 0.00 N ATOM 477 CA ARG A 39 6.135 -6.629 3.562 1.00 0.00 C ATOM 478 C ARG A 39 4.772 -5.968 3.724 1.00 0.00 C ATOM 479 O ARG A 39 4.525 -4.923 3.133 1.00 0.00 O ATOM 480 CB ARG A 39 6.751 -6.954 4.930 1.00 0.00 C ATOM 481 CG ARG A 39 6.456 -8.366 5.414 1.00 0.00 C ATOM 482 CD ARG A 39 7.268 -8.713 6.652 1.00 0.00 C ATOM 483 NE ARG A 39 6.487 -9.479 7.619 1.00 0.00 N ATOM 484 CZ ARG A 39 7.016 -10.099 8.669 1.00 0.00 C ATOM 485 NH1 ARG A 39 8.323 -10.041 8.888 1.00 0.00 N ATOM 486 NH2 ARG A 39 6.238 -10.777 9.502 1.00 0.00 N ATOM 0 H ARG A 39 6.851 -5.816 1.768 1.00 0.00 H new ATOM 0 HA ARG A 39 6.025 -7.576 3.034 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.831 -6.817 4.874 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.377 -6.242 5.665 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.393 -8.461 5.637 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.680 -9.078 4.620 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.148 -9.287 6.360 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.626 -7.796 7.120 1.00 0.00 H new ATOM 0 HE ARG A 39 5.478 -9.542 7.481 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.924 -9.520 8.250 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.727 -10.518 9.694 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.232 -10.823 9.337 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.645 -11.252 10.307 1.00 0.00 H new ATOM 500 N PHE A 40 3.875 -6.568 4.492 1.00 0.00 N ATOM 501 CA PHE A 40 2.551 -5.983 4.656 1.00 0.00 C ATOM 502 C PHE A 40 1.883 -6.425 5.952 1.00 0.00 C ATOM 503 O PHE A 40 2.273 -7.421 6.562 1.00 0.00 O ATOM 504 CB PHE A 40 1.693 -6.331 3.442 1.00 0.00 C ATOM 505 CG PHE A 40 2.404 -6.048 2.146 1.00 0.00 C ATOM 506 CD1 PHE A 40 3.279 -6.978 1.603 1.00 0.00 C ATOM 507 CD2 PHE A 40 2.229 -4.841 1.488 1.00 0.00 C ATOM 508 CE1 PHE A 40 3.959 -6.711 0.434 1.00 0.00 C ATOM 509 CE2 PHE A 40 2.910 -4.570 0.322 1.00 0.00 C ATOM 510 CZ PHE A 40 3.776 -5.503 -0.207 1.00 0.00 C ATOM 0 H PHE A 40 4.032 -7.438 5.001 1.00 0.00 H new ATOM 0 HA PHE A 40 2.659 -4.900 4.723 1.00 0.00 H new ATOM 0 HB2 PHE A 40 1.420 -7.385 3.482 1.00 0.00 H new ATOM 0 HB3 PHE A 40 0.765 -5.760 3.478 1.00 0.00 H new ATOM 0 HD1 PHE A 40 3.429 -7.924 2.103 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.551 -4.105 1.894 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.634 -7.446 0.021 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.765 -3.624 -0.179 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.310 -5.289 -1.121 1.00 0.00 H new ATOM 520 N MET A 41 0.894 -5.646 6.379 1.00 0.00 N ATOM 521 CA MET A 41 0.180 -5.909 7.618 1.00 0.00 C ATOM 522 C MET A 41 -0.597 -7.222 7.589 1.00 0.00 C ATOM 523 O MET A 41 -0.262 -8.143 8.331 1.00 0.00 O ATOM 524 CB MET A 41 -0.769 -4.757 7.934 1.00 0.00 C ATOM 525 CG MET A 41 -0.408 -4.001 9.203 1.00 0.00 C ATOM 526 SD MET A 41 0.008 -5.098 10.572 1.00 0.00 S ATOM 527 CE MET A 41 -1.339 -4.753 11.700 1.00 0.00 C ATOM 0 H MET A 41 0.568 -4.820 5.877 1.00 0.00 H new ATOM 0 HA MET A 41 0.934 -5.998 8.400 1.00 0.00 H new ATOM 0 HB2 MET A 41 -0.774 -4.061 7.095 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.782 -5.148 8.030 1.00 0.00 H new ATOM 0 HG2 MET A 41 0.437 -3.343 9.001 1.00 0.00 H new ATOM 0 HG3 MET A 41 -1.245 -3.366 9.493 1.00 0.00 H new ATOM 0 HE1 MET A 41 -1.414 -5.556 12.433 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.152 -3.809 12.213 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.272 -4.683 11.142 1.00 0.00 H new ATOM 537 N LYS A 42 -1.649 -7.295 6.762 1.00 0.00 N ATOM 538 CA LYS A 42 -2.479 -8.496 6.683 1.00 0.00 C ATOM 539 C LYS A 42 -3.619 -8.415 7.694 1.00 0.00 C ATOM 540 O LYS A 42 -4.336 -9.391 7.915 1.00 0.00 O ATOM 541 CB LYS A 42 -1.648 -9.759 6.944 1.00 0.00 C ATOM 542 CG LYS A 42 -2.370 -11.052 6.602 1.00 0.00 C ATOM 543 CD LYS A 42 -2.350 -11.324 5.111 1.00 0.00 C ATOM 544 CE LYS A 42 -1.081 -12.045 4.690 1.00 0.00 C ATOM 545 NZ LYS A 42 0.132 -11.211 4.912 1.00 0.00 N ATOM 0 H LYS A 42 -1.941 -6.539 6.143 1.00 0.00 H new ATOM 0 HA LYS A 42 -2.891 -8.554 5.675 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.728 -9.703 6.363 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.360 -9.782 7.995 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.901 -11.882 7.130 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.402 -10.996 6.949 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.218 -11.925 4.839 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.431 -10.382 4.568 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.989 -12.975 5.251 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -1.149 -12.313 3.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.891 -11.526 4.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.092 -10.214 4.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.445 -11.309 5.899 1.00 0.00 H new ATOM 559 N GLU A 43 -3.778 -7.246 8.315 1.00 0.00 N ATOM 560 CA GLU A 43 -4.826 -7.053 9.310 1.00 0.00 C ATOM 561 C GLU A 43 -5.364 -5.622 9.296 1.00 0.00 C ATOM 562 O GLU A 43 -4.934 -4.777 10.081 1.00 0.00 O ATOM 563 CB GLU A 43 -4.294 -7.392 10.702 1.00 0.00 C ATOM 564 CG GLU A 43 -5.387 -7.675 11.720 1.00 0.00 C ATOM 565 CD GLU A 43 -5.008 -8.776 12.691 1.00 0.00 C ATOM 566 OE1 GLU A 43 -3.823 -9.171 12.707 1.00 0.00 O ATOM 567 OE2 GLU A 43 -5.896 -9.243 13.434 1.00 0.00 O ATOM 0 H GLU A 43 -3.197 -6.425 8.146 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.649 -7.722 9.058 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.642 -8.262 10.630 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.682 -6.564 11.059 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.605 -6.764 12.277 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.302 -7.955 11.197 1.00 0.00 H new ATOM 574 N GLY A 44 -6.326 -5.371 8.415 1.00 0.00 N ATOM 575 CA GLY A 44 -6.939 -4.059 8.323 1.00 0.00 C ATOM 576 C GLY A 44 -5.954 -2.917 8.166 1.00 0.00 C ATOM 577 O GLY A 44 -5.901 -2.025 9.013 1.00 0.00 O ATOM 0 H GLY A 44 -6.695 -6.059 7.758 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.625 -4.050 7.476 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.536 -3.887 9.218 1.00 0.00 H new ATOM 581 N THR A 45 -5.196 -2.912 7.073 1.00 0.00 N ATOM 582 CA THR A 45 -4.253 -1.829 6.824 1.00 0.00 C ATOM 583 C THR A 45 -4.697 -1.071 5.567 1.00 0.00 C ATOM 584 O THR A 45 -5.899 -0.937 5.343 1.00 0.00 O ATOM 585 CB THR A 45 -2.828 -2.383 6.722 1.00 0.00 C ATOM 586 OG1 THR A 45 -2.838 -3.792 6.848 1.00 0.00 O ATOM 587 CG2 THR A 45 -1.906 -1.833 7.789 1.00 0.00 C ATOM 0 H THR A 45 -5.216 -3.636 6.355 1.00 0.00 H new ATOM 0 HA THR A 45 -4.245 -1.122 7.653 1.00 0.00 H new ATOM 0 HB THR A 45 -2.456 -2.075 5.745 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.243 -4.041 7.705 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.911 -2.261 7.666 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.848 -0.748 7.696 1.00 0.00 H new ATOM 0 HG23 THR A 45 -2.294 -2.093 8.774 1.00 0.00 H new ATOM 595 N ILE A 46 -3.777 -0.570 4.743 1.00 0.00 N ATOM 596 CA ILE A 46 -4.195 0.151 3.550 1.00 0.00 C ATOM 597 C ILE A 46 -3.532 -0.384 2.275 1.00 0.00 C ATOM 598 O ILE A 46 -2.358 -0.125 2.009 1.00 0.00 O ATOM 599 CB ILE A 46 -3.954 1.681 3.704 1.00 0.00 C ATOM 600 CG1 ILE A 46 -5.298 2.412 3.752 1.00 0.00 C ATOM 601 CG2 ILE A 46 -3.082 2.249 2.587 1.00 0.00 C ATOM 602 CD1 ILE A 46 -5.560 3.117 5.064 1.00 0.00 C ATOM 0 H ILE A 46 -2.769 -0.648 4.876 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.266 -0.019 3.443 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.414 1.837 4.638 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -5.333 3.143 2.944 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.098 1.695 3.569 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.944 3.319 2.741 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.111 1.753 2.596 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.567 2.080 1.625 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.530 3.612 5.024 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.558 2.389 5.875 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.781 3.859 5.240 1.00 0.00 H new ATOM 614 N CYS A 47 -4.322 -1.093 1.471 1.00 0.00 N ATOM 615 CA CYS A 47 -3.856 -1.622 0.193 1.00 0.00 C ATOM 616 C CYS A 47 -4.306 -0.683 -0.925 1.00 0.00 C ATOM 617 O CYS A 47 -4.280 -1.040 -2.103 1.00 0.00 O ATOM 618 CB CYS A 47 -4.379 -3.041 -0.026 1.00 0.00 C ATOM 619 SG CYS A 47 -5.907 -3.143 -0.998 1.00 0.00 S ATOM 0 H CYS A 47 -5.294 -1.315 1.685 1.00 0.00 H new ATOM 0 HA CYS A 47 -2.767 -1.677 0.192 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -3.607 -3.625 -0.526 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -4.551 -3.505 0.945 1.00 0.00 H new ATOM 624 N ARG A 48 -4.722 0.524 -0.513 1.00 0.00 N ATOM 625 CA ARG A 48 -5.200 1.574 -1.417 1.00 0.00 C ATOM 626 C ARG A 48 -4.957 1.245 -2.886 1.00 0.00 C ATOM 627 O ARG A 48 -3.839 0.924 -3.288 1.00 0.00 O ATOM 628 CB ARG A 48 -4.530 2.905 -1.064 1.00 0.00 C ATOM 629 CG ARG A 48 -4.736 3.320 0.383 1.00 0.00 C ATOM 630 CD ARG A 48 -5.695 4.495 0.493 1.00 0.00 C ATOM 631 NE ARG A 48 -5.260 5.634 -0.310 1.00 0.00 N ATOM 632 CZ ARG A 48 -6.050 6.654 -0.629 1.00 0.00 C ATOM 633 NH1 ARG A 48 -7.309 6.674 -0.215 1.00 0.00 N ATOM 634 NH2 ARG A 48 -5.581 7.654 -1.363 1.00 0.00 N ATOM 0 H ARG A 48 -4.735 0.799 0.469 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.279 1.648 -1.281 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -3.461 2.829 -1.264 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -4.922 3.685 -1.717 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -5.125 2.476 0.953 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -3.777 3.589 0.826 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -6.689 4.183 0.171 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -5.778 4.798 1.537 1.00 0.00 H new ATOM 0 HE ARG A 48 -4.297 5.648 -0.645 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -7.673 5.906 0.349 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -7.914 7.457 -0.461 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -4.613 7.641 -1.684 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -6.189 8.436 -1.607 1.00 0.00 H new ATOM 648 N ARG A 49 -6.020 1.334 -3.682 1.00 0.00 N ATOM 649 CA ARG A 49 -5.932 1.054 -5.110 1.00 0.00 C ATOM 650 C ARG A 49 -5.871 2.347 -5.916 1.00 0.00 C ATOM 651 O ARG A 49 -5.591 2.330 -7.114 1.00 0.00 O ATOM 652 CB ARG A 49 -7.127 0.214 -5.565 1.00 0.00 C ATOM 653 CG ARG A 49 -7.267 -1.102 -4.819 1.00 0.00 C ATOM 654 CD ARG A 49 -7.560 -2.252 -5.769 1.00 0.00 C ATOM 655 NE ARG A 49 -8.644 -1.934 -6.693 1.00 0.00 N ATOM 656 CZ ARG A 49 -8.776 -2.489 -7.893 1.00 0.00 C ATOM 657 NH1 ARG A 49 -7.895 -3.387 -8.312 1.00 0.00 N ATOM 658 NH2 ARG A 49 -9.791 -2.147 -8.675 1.00 0.00 N ATOM 0 H ARG A 49 -6.951 1.598 -3.361 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.015 0.492 -5.286 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -8.040 0.795 -5.433 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.031 0.009 -6.631 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -6.350 -1.309 -4.268 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.069 -1.022 -4.085 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -6.660 -2.493 -6.335 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.822 -3.140 -5.194 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.339 -1.247 -6.401 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -7.114 -3.653 -7.713 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -7.999 -3.812 -9.234 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.471 -1.457 -8.355 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -9.891 -2.574 -9.596 1.00 0.00 H new ATOM 672 N ALA A 50 -6.134 3.466 -5.251 1.00 0.00 N ATOM 673 CA ALA A 50 -6.108 4.767 -5.910 1.00 0.00 C ATOM 674 C ALA A 50 -6.177 5.903 -4.893 1.00 0.00 C ATOM 675 O ALA A 50 -5.947 5.695 -3.702 1.00 0.00 O ATOM 676 CB ALA A 50 -7.248 4.873 -6.911 1.00 0.00 C ATOM 0 H ALA A 50 -6.367 3.499 -4.259 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.163 4.858 -6.445 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.217 5.849 -7.396 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.146 4.091 -7.663 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.200 4.756 -6.393 1.00 0.00 H new ATOM 682 N ARG A 51 -6.493 7.105 -5.368 1.00 0.00 N ATOM 683 CA ARG A 51 -6.589 8.270 -4.499 1.00 0.00 C ATOM 684 C ARG A 51 -7.658 9.233 -5.001 1.00 0.00 C ATOM 685 O ARG A 51 -8.756 9.295 -4.450 1.00 0.00 O ATOM 686 CB ARG A 51 -5.239 8.987 -4.419 1.00 0.00 C ATOM 687 CG ARG A 51 -4.403 8.858 -5.682 1.00 0.00 C ATOM 688 CD ARG A 51 -4.106 10.217 -6.295 1.00 0.00 C ATOM 689 NE ARG A 51 -2.863 10.787 -5.785 1.00 0.00 N ATOM 690 CZ ARG A 51 -2.608 12.091 -5.759 1.00 0.00 C ATOM 691 NH1 ARG A 51 -3.506 12.953 -6.218 1.00 0.00 N ATOM 692 NH2 ARG A 51 -1.456 12.534 -5.275 1.00 0.00 N ATOM 0 H ARG A 51 -6.687 7.296 -6.351 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.870 7.927 -3.503 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.410 10.044 -4.214 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.674 8.586 -3.577 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.467 8.350 -5.450 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -4.931 8.238 -6.407 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -4.042 10.120 -7.379 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -4.931 10.898 -6.084 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.151 10.149 -5.429 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -4.393 12.615 -6.591 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.309 13.954 -6.198 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.764 11.874 -4.922 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.262 13.535 -5.256 1.00 0.00 H new ATOM 706 N GLY A 52 -7.328 9.978 -6.053 1.00 0.00 N ATOM 707 CA GLY A 52 -8.268 10.929 -6.620 1.00 0.00 C ATOM 708 C GLY A 52 -9.171 11.553 -5.574 1.00 0.00 C ATOM 709 O GLY A 52 -8.701 12.022 -4.538 1.00 0.00 O ATOM 0 H GLY A 52 -6.424 9.939 -6.524 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.717 11.716 -7.134 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.880 10.426 -7.369 1.00 0.00 H new ATOM 713 N ASP A 53 -10.472 11.555 -5.845 1.00 0.00 N ATOM 714 CA ASP A 53 -11.444 12.122 -4.919 1.00 0.00 C ATOM 715 C ASP A 53 -11.622 11.216 -3.705 1.00 0.00 C ATOM 716 O ASP A 53 -12.164 11.632 -2.681 1.00 0.00 O ATOM 717 CB ASP A 53 -12.789 12.325 -5.619 1.00 0.00 C ATOM 718 CG ASP A 53 -12.716 13.366 -6.719 1.00 0.00 C ATOM 719 OD1 ASP A 53 -12.579 14.564 -6.395 1.00 0.00 O ATOM 720 OD2 ASP A 53 -12.798 12.983 -7.905 1.00 0.00 O ATOM 0 H ASP A 53 -10.877 11.170 -6.698 1.00 0.00 H new ATOM 0 HA ASP A 53 -11.070 13.089 -4.581 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -13.123 11.377 -6.041 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.536 12.628 -4.885 1.00 0.00 H new ATOM 725 N ASP A 54 -11.159 9.976 -3.829 1.00 0.00 N ATOM 726 CA ASP A 54 -11.262 9.006 -2.746 1.00 0.00 C ATOM 727 C ASP A 54 -10.444 7.758 -3.060 1.00 0.00 C ATOM 728 O ASP A 54 -9.267 7.670 -2.711 1.00 0.00 O ATOM 729 CB ASP A 54 -12.724 8.623 -2.509 1.00 0.00 C ATOM 730 CG ASP A 54 -13.468 9.655 -1.684 1.00 0.00 C ATOM 731 OD1 ASP A 54 -13.179 9.766 -0.473 1.00 0.00 O ATOM 732 OD2 ASP A 54 -14.339 10.350 -2.247 1.00 0.00 O ATOM 0 H ASP A 54 -10.708 9.619 -4.671 1.00 0.00 H new ATOM 0 HA ASP A 54 -10.865 9.466 -1.841 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -13.225 8.501 -3.470 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -12.766 7.659 -2.003 1.00 0.00 H new ATOM 737 N LEU A 55 -11.076 6.798 -3.726 1.00 0.00 N ATOM 738 CA LEU A 55 -10.412 5.553 -4.095 1.00 0.00 C ATOM 739 C LEU A 55 -9.421 5.119 -3.019 1.00 0.00 C ATOM 740 O LEU A 55 -8.279 5.576 -2.989 1.00 0.00 O ATOM 741 CB LEU A 55 -9.690 5.714 -5.433 1.00 0.00 C ATOM 742 CG LEU A 55 -10.542 6.290 -6.566 1.00 0.00 C ATOM 743 CD1 LEU A 55 -9.922 7.572 -7.100 1.00 0.00 C ATOM 744 CD2 LEU A 55 -10.704 5.269 -7.682 1.00 0.00 C ATOM 0 H LEU A 55 -12.050 6.858 -4.022 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.175 4.781 -4.190 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.825 6.360 -5.286 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.311 4.740 -5.743 1.00 0.00 H new ATOM 0 HG LEU A 55 -11.530 6.526 -6.170 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.541 7.968 -7.905 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.857 8.307 -6.297 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.923 7.362 -7.481 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -11.313 5.695 -8.480 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.723 5.003 -8.077 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -11.192 4.377 -7.291 1.00 0.00 H new ATOM 756 N ASP A 56 -9.869 4.229 -2.140 1.00 0.00 N ATOM 757 CA ASP A 56 -9.028 3.723 -1.062 1.00 0.00 C ATOM 758 C ASP A 56 -8.972 2.205 -1.094 1.00 0.00 C ATOM 759 O ASP A 56 -9.252 1.585 -2.121 1.00 0.00 O ATOM 760 CB ASP A 56 -9.558 4.196 0.291 1.00 0.00 C ATOM 761 CG ASP A 56 -10.046 5.630 0.251 1.00 0.00 C ATOM 762 OD1 ASP A 56 -10.787 5.979 -0.692 1.00 0.00 O ATOM 763 OD2 ASP A 56 -9.687 6.405 1.162 1.00 0.00 O ATOM 0 H ASP A 56 -10.813 3.842 -2.153 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.020 4.112 -1.204 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.374 3.546 0.606 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.771 4.104 1.039 1.00 0.00 H new ATOM 768 N ASP A 57 -8.606 1.612 0.032 1.00 0.00 N ATOM 769 CA ASP A 57 -8.514 0.160 0.126 1.00 0.00 C ATOM 770 C ASP A 57 -7.784 -0.280 1.394 1.00 0.00 C ATOM 771 O ASP A 57 -6.878 0.402 1.872 1.00 0.00 O ATOM 772 CB ASP A 57 -7.797 -0.392 -1.104 1.00 0.00 C ATOM 773 CG ASP A 57 -8.645 -1.386 -1.873 1.00 0.00 C ATOM 774 OD1 ASP A 57 -9.883 -1.224 -1.887 1.00 0.00 O ATOM 775 OD2 ASP A 57 -8.072 -2.326 -2.463 1.00 0.00 O ATOM 0 H ASP A 57 -8.369 2.109 0.890 1.00 0.00 H new ATOM 0 HA ASP A 57 -9.528 -0.237 0.172 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.524 0.433 -1.762 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.870 -0.874 -0.794 1.00 0.00 H new ATOM 780 N TYR A 58 -8.184 -1.435 1.925 1.00 0.00 N ATOM 781 CA TYR A 58 -7.570 -1.986 3.130 1.00 0.00 C ATOM 782 C TYR A 58 -6.512 -3.022 2.786 1.00 0.00 C ATOM 783 O TYR A 58 -6.452 -3.507 1.659 1.00 0.00 O ATOM 784 CB TYR A 58 -8.625 -2.585 4.055 1.00 0.00 C ATOM 785 CG TYR A 58 -9.293 -1.549 4.926 1.00 0.00 C ATOM 786 CD1 TYR A 58 -10.299 -0.737 4.422 1.00 0.00 C ATOM 787 CD2 TYR A 58 -8.903 -1.371 6.248 1.00 0.00 C ATOM 788 CE1 TYR A 58 -10.902 0.223 5.211 1.00 0.00 C ATOM 789 CE2 TYR A 58 -9.500 -0.412 7.043 1.00 0.00 C ATOM 790 CZ TYR A 58 -10.499 0.382 6.520 1.00 0.00 C ATOM 791 OH TYR A 58 -11.096 1.339 7.309 1.00 0.00 O ATOM 0 H TYR A 58 -8.933 -2.008 1.537 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.080 -1.165 3.654 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -9.381 -3.092 3.456 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.160 -3.341 4.688 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -10.616 -0.858 3.396 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -8.121 -1.992 6.660 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -11.685 0.846 4.805 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.186 -0.285 8.069 1.00 0.00 H new ATOM 0 HH TYR A 58 -10.698 1.320 8.204 1.00 0.00 H new ATOM 801 N CYS A 59 -5.662 -3.334 3.762 1.00 0.00 N ATOM 802 CA CYS A 59 -4.574 -4.282 3.557 1.00 0.00 C ATOM 803 C CYS A 59 -4.791 -5.608 4.291 1.00 0.00 C ATOM 804 O CYS A 59 -4.358 -5.789 5.428 1.00 0.00 O ATOM 805 CB CYS A 59 -3.262 -3.637 3.996 1.00 0.00 C ATOM 806 SG CYS A 59 -2.169 -3.146 2.623 1.00 0.00 S ATOM 0 H CYS A 59 -5.708 -2.943 4.703 1.00 0.00 H new ATOM 0 HA CYS A 59 -4.540 -4.524 2.495 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.487 -2.757 4.598 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.726 -4.334 4.640 1.00 0.00 H new ATOM 811 N ASN A 60 -5.442 -6.535 3.597 1.00 0.00 N ATOM 812 CA ASN A 60 -5.718 -7.878 4.105 1.00 0.00 C ATOM 813 C ASN A 60 -5.228 -8.891 3.073 1.00 0.00 C ATOM 814 O ASN A 60 -5.495 -8.734 1.882 1.00 0.00 O ATOM 815 CB ASN A 60 -7.217 -8.061 4.343 1.00 0.00 C ATOM 816 CG ASN A 60 -7.859 -6.815 4.912 1.00 0.00 C ATOM 817 OD1 ASN A 60 -9.014 -6.507 4.623 1.00 0.00 O ATOM 818 ND2 ASN A 60 -7.109 -6.091 5.729 1.00 0.00 N ATOM 0 H ASN A 60 -5.798 -6.375 2.655 1.00 0.00 H new ATOM 0 HA ASN A 60 -5.203 -8.026 5.054 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.704 -8.322 3.403 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.376 -8.895 5.027 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.485 -5.240 6.146 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.155 -6.385 5.941 1.00 0.00 H new ATOM 825 N GLY A 61 -4.477 -9.901 3.502 1.00 0.00 N ATOM 826 CA GLY A 61 -3.950 -10.859 2.541 1.00 0.00 C ATOM 827 C GLY A 61 -3.097 -10.156 1.501 1.00 0.00 C ATOM 828 O GLY A 61 -2.817 -10.696 0.430 1.00 0.00 O ATOM 0 H GLY A 61 -4.227 -10.073 4.476 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -3.356 -11.612 3.058 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.772 -11.382 2.052 1.00 0.00 H new ATOM 832 N ILE A 62 -2.717 -8.925 1.826 1.00 0.00 N ATOM 833 CA ILE A 62 -1.924 -8.079 0.940 1.00 0.00 C ATOM 834 C ILE A 62 -0.423 -8.312 1.032 1.00 0.00 C ATOM 835 O ILE A 62 0.270 -7.610 1.761 1.00 0.00 O ATOM 836 CB ILE A 62 -2.170 -6.588 1.228 1.00 0.00 C ATOM 837 CG1 ILE A 62 -1.738 -6.172 2.653 1.00 0.00 C ATOM 838 CG2 ILE A 62 -3.628 -6.245 1.014 1.00 0.00 C ATOM 839 CD1 ILE A 62 -1.441 -7.293 3.641 1.00 0.00 C ATOM 0 H ILE A 62 -2.951 -8.484 2.715 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.255 -8.356 -0.061 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.550 -6.029 0.527 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.847 -5.550 2.569 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.524 -5.547 3.076 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.787 -5.187 1.222 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.904 -6.458 -0.019 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.245 -6.843 1.685 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.150 -6.865 4.600 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.332 -7.907 3.773 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.628 -7.910 3.258 1.00 0.00 H new ATOM 851 N SER A 63 0.093 -9.242 0.254 1.00 0.00 N ATOM 852 CA SER A 63 1.528 -9.470 0.244 1.00 0.00 C ATOM 853 C SER A 63 2.180 -8.587 -0.817 1.00 0.00 C ATOM 854 O SER A 63 3.318 -8.819 -1.222 1.00 0.00 O ATOM 855 CB SER A 63 1.838 -10.935 -0.012 1.00 0.00 C ATOM 856 OG SER A 63 1.701 -11.259 -1.385 1.00 0.00 O ATOM 0 H SER A 63 -0.446 -9.843 -0.369 1.00 0.00 H new ATOM 0 HA SER A 63 1.935 -9.209 1.221 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.853 -11.157 0.316 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.168 -11.559 0.580 1.00 0.00 H new ATOM 0 HG SER A 63 1.908 -12.207 -1.520 1.00 0.00 H new ATOM 862 N ALA A 64 1.418 -7.572 -1.240 1.00 0.00 N ATOM 863 CA ALA A 64 1.825 -6.595 -2.245 1.00 0.00 C ATOM 864 C ALA A 64 0.744 -6.455 -3.316 1.00 0.00 C ATOM 865 O ALA A 64 1.041 -6.219 -4.487 1.00 0.00 O ATOM 866 CB ALA A 64 3.157 -6.943 -2.885 1.00 0.00 C ATOM 0 H ALA A 64 0.478 -7.407 -0.881 1.00 0.00 H new ATOM 0 HA ALA A 64 1.954 -5.642 -1.732 1.00 0.00 H new ATOM 0 HB1 ALA A 64 3.414 -6.185 -3.625 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.931 -6.979 -2.118 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.084 -7.915 -3.372 1.00 0.00 H new ATOM 872 N GLY A 65 -0.514 -6.599 -2.897 1.00 0.00 N ATOM 873 CA GLY A 65 -1.634 -6.485 -3.813 1.00 0.00 C ATOM 874 C GLY A 65 -2.862 -5.917 -3.127 1.00 0.00 C ATOM 875 O GLY A 65 -2.846 -4.780 -2.673 1.00 0.00 O ATOM 0 H GLY A 65 -0.776 -6.794 -1.931 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.356 -5.845 -4.650 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.868 -7.466 -4.226 1.00 0.00 H new ATOM 879 N CYS A 66 -3.924 -6.713 -3.043 1.00 0.00 N ATOM 880 CA CYS A 66 -5.166 -6.287 -2.396 1.00 0.00 C ATOM 881 C CYS A 66 -6.132 -7.458 -2.229 1.00 0.00 C ATOM 882 O CYS A 66 -6.291 -8.277 -3.134 1.00 0.00 O ATOM 883 CB CYS A 66 -5.847 -5.170 -3.193 1.00 0.00 C ATOM 884 SG CYS A 66 -5.218 -3.502 -2.866 1.00 0.00 S ATOM 0 H CYS A 66 -3.951 -7.662 -3.416 1.00 0.00 H new ATOM 0 HA CYS A 66 -4.902 -5.907 -1.409 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.734 -5.382 -4.256 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -6.915 -5.188 -2.976 1.00 0.00 H new ATOM 889 N PRO A 67 -6.798 -7.548 -1.063 1.00 0.00 N ATOM 890 CA PRO A 67 -7.759 -8.619 -0.778 1.00 0.00 C ATOM 891 C PRO A 67 -8.884 -8.668 -1.808 1.00 0.00 C ATOM 892 O PRO A 67 -8.745 -8.148 -2.915 1.00 0.00 O ATOM 893 CB PRO A 67 -8.316 -8.257 0.608 1.00 0.00 C ATOM 894 CG PRO A 67 -7.941 -6.830 0.828 1.00 0.00 C ATOM 895 CD PRO A 67 -6.670 -6.613 0.063 1.00 0.00 C ATOM 0 HA PRO A 67 -7.291 -9.603 -0.812 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.397 -8.388 0.643 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -7.892 -8.898 1.381 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -8.727 -6.162 0.476 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -7.798 -6.623 1.889 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -6.575 -5.582 -0.277 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -5.791 -6.830 0.670 1.00 0.00 H new ATOM 903 N ARG A 68 -9.998 -9.296 -1.440 1.00 0.00 N ATOM 904 CA ARG A 68 -11.141 -9.408 -2.340 1.00 0.00 C ATOM 905 C ARG A 68 -12.454 -9.424 -1.564 1.00 0.00 C ATOM 906 O ARG A 68 -13.328 -10.251 -1.824 1.00 0.00 O ATOM 907 CB ARG A 68 -11.027 -10.676 -3.188 1.00 0.00 C ATOM 908 CG ARG A 68 -9.744 -10.756 -3.998 1.00 0.00 C ATOM 909 CD ARG A 68 -9.956 -11.502 -5.305 1.00 0.00 C ATOM 910 NE ARG A 68 -9.135 -12.706 -5.388 1.00 0.00 N ATOM 911 CZ ARG A 68 -9.485 -13.875 -4.860 1.00 0.00 C ATOM 912 NH1 ARG A 68 -10.638 -13.995 -4.214 1.00 0.00 N ATOM 913 NH2 ARG A 68 -8.684 -14.924 -4.978 1.00 0.00 N ATOM 0 H ARG A 68 -10.133 -9.733 -0.528 1.00 0.00 H new ATOM 0 HA ARG A 68 -11.138 -8.536 -2.993 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -11.088 -11.546 -2.534 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -11.878 -10.726 -3.867 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -9.381 -9.750 -4.207 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.973 -11.258 -3.412 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -11.007 -11.773 -5.401 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.719 -10.843 -6.141 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.243 -12.647 -5.879 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -11.257 -13.190 -4.122 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.905 -14.893 -3.810 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.797 -14.835 -5.474 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.954 -15.820 -4.572 1.00 0.00 H new ATOM 927 N ASN A 69 -12.590 -8.505 -0.613 1.00 0.00 N ATOM 928 CA ASN A 69 -13.802 -8.418 0.196 1.00 0.00 C ATOM 929 C ASN A 69 -13.843 -7.127 1.007 1.00 0.00 C ATOM 930 O ASN A 69 -14.613 -6.218 0.696 1.00 0.00 O ATOM 931 CB ASN A 69 -13.923 -9.642 1.108 1.00 0.00 C ATOM 932 CG ASN A 69 -14.500 -10.843 0.385 1.00 0.00 C ATOM 933 OD1 ASN A 69 -13.884 -11.907 0.335 1.00 0.00 O ATOM 934 ND2 ASN A 69 -15.690 -10.676 -0.181 1.00 0.00 N ATOM 0 H ASN A 69 -11.878 -7.811 -0.384 1.00 0.00 H new ATOM 0 HA ASN A 69 -14.657 -8.403 -0.480 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.940 -9.897 1.503 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -14.555 -9.396 1.961 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -16.129 -11.448 -0.682 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -16.165 -9.776 -0.114 1.00 0.00 H new ATOM 941 N PRO A 70 -13.020 -7.023 2.057 1.00 0.00 N ATOM 942 CA PRO A 70 -12.977 -5.829 2.903 1.00 0.00 C ATOM 943 C PRO A 70 -12.272 -4.661 2.223 1.00 0.00 C ATOM 944 O PRO A 70 -11.155 -4.803 1.726 1.00 0.00 O ATOM 945 CB PRO A 70 -12.180 -6.304 4.111 1.00 0.00 C ATOM 946 CG PRO A 70 -11.266 -7.337 3.557 1.00 0.00 C ATOM 947 CD PRO A 70 -12.066 -8.052 2.508 1.00 0.00 C ATOM 0 HA PRO A 70 -13.972 -5.453 3.143 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -11.625 -5.485 4.570 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -12.831 -6.719 4.880 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -10.373 -6.883 3.129 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -10.933 -8.025 4.334 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -11.436 -8.404 1.691 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -12.577 -8.925 2.915 1.00 0.00 H new ATOM 955 N PHE A 71 -12.930 -3.507 2.205 1.00 0.00 N ATOM 956 CA PHE A 71 -12.364 -2.314 1.585 1.00 0.00 C ATOM 957 C PHE A 71 -13.122 -1.065 2.020 1.00 0.00 C ATOM 958 O PHE A 71 -13.968 -1.119 2.913 1.00 0.00 O ATOM 959 CB PHE A 71 -12.400 -2.439 0.061 1.00 0.00 C ATOM 960 CG PHE A 71 -11.510 -3.523 -0.475 1.00 0.00 C ATOM 961 CD1 PHE A 71 -10.134 -3.367 -0.478 1.00 0.00 C ATOM 962 CD2 PHE A 71 -12.049 -4.697 -0.974 1.00 0.00 C ATOM 963 CE1 PHE A 71 -9.311 -4.362 -0.969 1.00 0.00 C ATOM 964 CE2 PHE A 71 -11.232 -5.696 -1.467 1.00 0.00 C ATOM 965 CZ PHE A 71 -9.861 -5.529 -1.464 1.00 0.00 C ATOM 0 H PHE A 71 -13.855 -3.372 2.612 1.00 0.00 H new ATOM 0 HA PHE A 71 -11.328 -2.223 1.911 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -13.425 -2.633 -0.255 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -12.105 -1.487 -0.380 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -9.699 -2.457 -0.092 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -13.120 -4.833 -0.978 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -8.239 -4.228 -0.966 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -11.665 -6.607 -1.854 1.00 0.00 H new ATOM 0 HZ PHE A 71 -9.220 -6.309 -1.848 1.00 0.00 H new ATOM 975 N HIS A 72 -12.815 0.060 1.382 1.00 0.00 N ATOM 976 CA HIS A 72 -13.470 1.322 1.701 1.00 0.00 C ATOM 977 C HIS A 72 -14.735 1.498 0.867 1.00 0.00 C ATOM 978 O HIS A 72 -15.770 1.929 1.374 1.00 0.00 O ATOM 979 CB HIS A 72 -12.516 2.493 1.457 1.00 0.00 C ATOM 980 CG HIS A 72 -13.212 3.813 1.326 1.00 0.00 C ATOM 981 ND1 HIS A 72 -13.700 4.519 2.407 1.00 0.00 N ATOM 982 CD2 HIS A 72 -13.502 4.556 0.232 1.00 0.00 C ATOM 983 CE1 HIS A 72 -14.261 5.638 1.982 1.00 0.00 C ATOM 984 NE2 HIS A 72 -14.154 5.684 0.667 1.00 0.00 N ATOM 0 H HIS A 72 -12.117 0.123 0.641 1.00 0.00 H new ATOM 0 HA HIS A 72 -13.748 1.305 2.755 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -11.802 2.547 2.279 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -11.943 2.302 0.550 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -13.265 4.308 -0.792 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -14.727 6.387 2.605 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -14.500 6.436 0.070 1.00 0.00 H new ATOM 993 N ALA A 73 -14.641 1.160 -0.415 1.00 0.00 N ATOM 994 CA ALA A 73 -15.776 1.279 -1.322 1.00 0.00 C ATOM 995 C ALA A 73 -15.934 0.021 -2.168 1.00 0.00 C ATOM 996 O ALA A 73 -15.183 -0.125 -3.155 1.00 0.00 O ATOM 997 CB ALA A 73 -15.613 2.500 -2.213 1.00 0.00 C ATOM 998 OXT ALA A 73 -16.807 -0.809 -1.837 1.00 0.00 O ATOM 0 H ALA A 73 -13.790 0.802 -0.849 1.00 0.00 H new ATOM 0 HA ALA A 73 -16.679 1.399 -0.723 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -16.468 2.577 -2.885 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -15.556 3.396 -1.595 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -14.699 2.404 -2.798 1.00 0.00 H new TER 1004 ALA A 73