USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 397 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 CYS SG : rot -169:sc= 0.0793! USER MOD Set 1.2: A 32 CYS SG : rot 156:sc= 1.57! USER MOD Set 1.3: A 34 CYS SG : rot -104:sc= 0.843 USER MOD Set 1.4: A 38 TYR OH : rot -107:sc= 0.631 USER MOD Set 1.5: A 43 CYS SG : rot 120:sc= -2.14! USER MOD Set 2.1: A 8 CYS SG : rot 140:sc= 0.0792 USER MOD Set 2.2: A 15 TYR OH : rot -173:sc= -1.44! USER MOD Set 2.3: A 21 CYS SG : rot 14:sc= -1.24 USER MOD Single : A 1 ARG N :NH3+ -171:sc= -0.0362 (180deg=-0.143) USER MOD Single : A 2 LYS NZ :NH3+ -123:sc=-0.00102 (180deg=-0.0297) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -119:sc= 0.827 (180deg=-0.323) USER MOD Single : A 14 HIS : no HD1:sc= -0.826 K(o=-0.83,f=-0.084) USER MOD Single : A 18 LYS NZ :NH3+ -150:sc= -0.107 (180deg=-0.382) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.0043) USER MOD Single : A 29 THR OG1 : rot 85:sc= 0.112 USER MOD Single : A 31 SER OG : rot 180:sc= -0.15 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -4.917 16.435 -15.033 1.00 0.00 N ATOM 2 CA ARG A 1 -3.711 17.230 -15.406 1.00 0.00 C ATOM 3 C ARG A 1 -2.623 17.070 -14.341 1.00 0.00 C ATOM 4 O ARG A 1 -1.455 17.280 -14.597 1.00 0.00 O ATOM 5 CB ARG A 1 -4.194 18.678 -15.468 1.00 0.00 C ATOM 6 CG ARG A 1 -4.095 19.190 -16.906 1.00 0.00 C ATOM 7 CD ARG A 1 -2.849 20.066 -17.052 1.00 0.00 C ATOM 8 NE ARG A 1 -1.704 19.154 -16.778 1.00 0.00 N ATOM 9 CZ ARG A 1 -0.524 19.648 -16.521 1.00 0.00 C ATOM 10 NH1 ARG A 1 -0.383 20.550 -15.588 1.00 0.00 N ATOM 11 NH2 ARG A 1 0.516 19.240 -17.196 1.00 0.00 N ATOM 0 H1 ARG A 1 -5.587 16.426 -15.829 1.00 0.00 H new ATOM 0 H2 ARG A 1 -4.634 15.460 -14.808 1.00 0.00 H new ATOM 0 H3 ARG A 1 -5.372 16.864 -14.202 1.00 0.00 H new ATOM 0 HA ARG A 1 -3.278 16.905 -16.352 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -5.224 18.744 -15.118 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -3.592 19.302 -14.807 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -4.045 18.350 -17.599 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -4.987 19.762 -17.162 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -2.782 20.494 -18.052 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -2.867 20.899 -16.349 1.00 0.00 H new ATOM 0 HE ARG A 1 -1.842 18.143 -16.791 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -1.195 20.869 -15.060 1.00 0.00 H new ATOM 0 HH12 ARG A 1 0.539 20.936 -15.387 1.00 0.00 H new ATOM 0 HH21 ARG A 1 0.406 18.535 -17.925 1.00 0.00 H new ATOM 0 HH22 ARG A 1 1.438 19.626 -16.995 1.00 0.00 H new ATOM 27 N LYS A 2 -2.999 16.701 -13.146 1.00 0.00 N ATOM 28 CA LYS A 2 -1.986 16.529 -12.065 1.00 0.00 C ATOM 29 C LYS A 2 -2.491 15.529 -11.022 1.00 0.00 C ATOM 30 O LYS A 2 -3.332 14.698 -11.301 1.00 0.00 O ATOM 31 CB LYS A 2 -1.828 17.918 -11.446 1.00 0.00 C ATOM 32 CG LYS A 2 -3.175 18.383 -10.885 1.00 0.00 C ATOM 33 CD LYS A 2 -3.437 19.826 -11.320 1.00 0.00 C ATOM 34 CE LYS A 2 -3.635 20.704 -10.082 1.00 0.00 C ATOM 35 NZ LYS A 2 -2.271 20.878 -9.513 1.00 0.00 N ATOM 0 H LYS A 2 -3.963 16.511 -12.872 1.00 0.00 H new ATOM 0 HA LYS A 2 -1.040 16.142 -12.443 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -1.081 17.891 -10.653 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -1.471 18.624 -12.196 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -3.974 17.733 -11.242 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -3.171 18.315 -9.797 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -2.600 20.196 -11.912 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -4.321 19.871 -11.956 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -4.078 21.664 -10.346 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -4.305 20.230 -9.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -2.261 20.546 -8.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -1.589 20.326 -10.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -2.008 21.884 -9.542 1.00 0.00 H new ATOM 49 N GLY A 3 -1.985 15.604 -9.822 1.00 0.00 N ATOM 50 CA GLY A 3 -2.439 14.658 -8.762 1.00 0.00 C ATOM 51 C GLY A 3 -1.322 14.463 -7.736 1.00 0.00 C ATOM 52 O GLY A 3 -1.031 15.339 -6.946 1.00 0.00 O ATOM 0 H GLY A 3 -1.278 16.278 -9.529 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -3.332 15.046 -8.273 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -2.709 13.700 -9.207 1.00 0.00 H new ATOM 56 N HIS A 4 -0.693 13.319 -7.740 1.00 0.00 N ATOM 57 CA HIS A 4 0.404 13.067 -6.762 1.00 0.00 C ATOM 58 C HIS A 4 -0.156 13.019 -5.339 1.00 0.00 C ATOM 59 O HIS A 4 -0.377 14.036 -4.713 1.00 0.00 O ATOM 60 CB HIS A 4 1.359 14.251 -6.922 1.00 0.00 C ATOM 61 CG HIS A 4 2.721 13.747 -7.314 1.00 0.00 C ATOM 62 ND1 HIS A 4 3.511 13.005 -6.449 1.00 0.00 N ATOM 63 CD2 HIS A 4 3.447 13.869 -8.473 1.00 0.00 C ATOM 64 CE1 HIS A 4 4.654 12.712 -7.096 1.00 0.00 C ATOM 65 NE2 HIS A 4 4.667 13.214 -8.333 1.00 0.00 N ATOM 0 H HIS A 4 -0.891 12.548 -8.378 1.00 0.00 H new ATOM 0 HA HIS A 4 0.903 12.114 -6.939 1.00 0.00 H new ATOM 0 HB2 HIS A 4 0.981 14.937 -7.680 1.00 0.00 H new ATOM 0 HB3 HIS A 4 1.421 14.811 -5.989 1.00 0.00 H new ATOM 0 HD2 HIS A 4 3.121 14.394 -9.359 1.00 0.00 H new ATOM 0 HE1 HIS A 4 5.463 12.140 -6.666 1.00 0.00 H new ATOM 0 HE2 HIS A 4 5.411 13.135 -9.026 1.00 0.00 H new ATOM 73 N PHE A 5 -0.389 11.843 -4.823 1.00 0.00 N ATOM 74 CA PHE A 5 -0.936 11.729 -3.441 1.00 0.00 C ATOM 75 C PHE A 5 0.195 11.456 -2.446 1.00 0.00 C ATOM 76 O PHE A 5 1.305 11.924 -2.610 1.00 0.00 O ATOM 77 CB PHE A 5 -1.902 10.545 -3.494 1.00 0.00 C ATOM 78 CG PHE A 5 -2.846 10.714 -4.659 1.00 0.00 C ATOM 79 CD1 PHE A 5 -3.945 11.576 -4.551 1.00 0.00 C ATOM 80 CD2 PHE A 5 -2.623 10.011 -5.849 1.00 0.00 C ATOM 81 CE1 PHE A 5 -4.820 11.733 -5.632 1.00 0.00 C ATOM 82 CE2 PHE A 5 -3.500 10.168 -6.930 1.00 0.00 C ATOM 83 CZ PHE A 5 -4.597 11.029 -6.821 1.00 0.00 C ATOM 0 H PHE A 5 -0.224 10.956 -5.299 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.431 12.644 -3.115 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -1.346 9.613 -3.596 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.465 10.480 -2.563 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.117 12.119 -3.634 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -1.775 9.348 -5.934 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -5.667 12.397 -5.549 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -3.329 9.624 -7.847 1.00 0.00 H new ATOM 0 HZ PHE A 5 -5.272 11.151 -7.655 1.00 0.00 H new ATOM 93 N SER A 6 -0.077 10.704 -1.415 1.00 0.00 N ATOM 94 CA SER A 6 0.984 10.402 -0.410 1.00 0.00 C ATOM 95 C SER A 6 0.927 8.927 -0.005 1.00 0.00 C ATOM 96 O SER A 6 -0.129 8.326 0.040 1.00 0.00 O ATOM 97 CB SER A 6 0.663 11.299 0.785 1.00 0.00 C ATOM 98 OG SER A 6 1.019 12.639 0.475 1.00 0.00 O ATOM 0 H SER A 6 -0.987 10.285 -1.224 1.00 0.00 H new ATOM 0 HA SER A 6 1.985 10.584 -0.800 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.399 11.239 1.025 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.208 10.960 1.666 1.00 0.00 H new ATOM 0 HG SER A 6 0.813 13.217 1.239 1.00 0.00 H new ATOM 104 N ARG A 7 2.054 8.339 0.288 1.00 0.00 N ATOM 105 CA ARG A 7 2.063 6.902 0.690 1.00 0.00 C ATOM 106 C ARG A 7 1.751 6.769 2.182 1.00 0.00 C ATOM 107 O ARG A 7 2.041 7.649 2.968 1.00 0.00 O ATOM 108 CB ARG A 7 3.481 6.415 0.390 1.00 0.00 C ATOM 109 CG ARG A 7 3.471 5.567 -0.882 1.00 0.00 C ATOM 110 CD ARG A 7 3.560 6.481 -2.106 1.00 0.00 C ATOM 111 NE ARG A 7 3.181 5.619 -3.260 1.00 0.00 N ATOM 112 CZ ARG A 7 4.041 4.770 -3.749 1.00 0.00 C ATOM 113 NH1 ARG A 7 4.208 3.607 -3.180 1.00 0.00 N ATOM 114 NH2 ARG A 7 4.736 5.083 -4.809 1.00 0.00 N ATOM 0 H ARG A 7 2.969 8.790 0.267 1.00 0.00 H new ATOM 0 HA ARG A 7 1.312 6.319 0.157 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.151 7.266 0.267 1.00 0.00 H new ATOM 0 HB3 ARG A 7 3.860 5.829 1.227 1.00 0.00 H new ATOM 0 HG2 ARG A 7 4.309 4.870 -0.874 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.560 4.970 -0.926 1.00 0.00 H new ATOM 0 HD2 ARG A 7 2.887 7.333 -2.012 1.00 0.00 H new ATOM 0 HD3 ARG A 7 4.566 6.882 -2.227 1.00 0.00 H new ATOM 0 HE ARG A 7 2.249 5.693 -3.668 1.00 0.00 H new ATOM 0 HH11 ARG A 7 3.665 3.362 -2.352 1.00 0.00 H new ATOM 0 HH12 ARG A 7 4.881 2.944 -3.564 1.00 0.00 H new ATOM 0 HH21 ARG A 7 4.606 5.991 -5.254 1.00 0.00 H new ATOM 0 HH22 ARG A 7 5.409 4.419 -5.192 1.00 0.00 H new ATOM 128 N CYS A 8 1.160 5.676 2.579 1.00 0.00 N ATOM 129 CA CYS A 8 0.829 5.488 4.020 1.00 0.00 C ATOM 130 C CYS A 8 2.048 4.952 4.778 1.00 0.00 C ATOM 131 O CYS A 8 2.665 3.992 4.361 1.00 0.00 O ATOM 132 CB CYS A 8 -0.304 4.461 4.035 1.00 0.00 C ATOM 133 SG CYS A 8 -1.567 4.974 5.226 1.00 0.00 S ATOM 0 H CYS A 8 0.892 4.905 1.968 1.00 0.00 H new ATOM 0 HA CYS A 8 0.540 6.422 4.502 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -0.741 4.372 3.041 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.085 3.478 4.302 1.00 0.00 H new ATOM 0 HG CYS A 8 -2.747 4.738 4.735 1.00 0.00 H new ATOM 138 N PRO A 9 2.355 5.598 5.871 1.00 0.00 N ATOM 139 CA PRO A 9 3.515 5.183 6.699 1.00 0.00 C ATOM 140 C PRO A 9 3.193 3.894 7.461 1.00 0.00 C ATOM 141 O PRO A 9 2.073 3.424 7.459 1.00 0.00 O ATOM 142 CB PRO A 9 3.704 6.353 7.660 1.00 0.00 C ATOM 143 CG PRO A 9 2.363 7.010 7.745 1.00 0.00 C ATOM 144 CD PRO A 9 1.661 6.761 6.434 1.00 0.00 C ATOM 0 HA PRO A 9 4.409 4.972 6.112 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.037 6.009 8.639 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.460 7.047 7.292 1.00 0.00 H new ATOM 0 HG2 PRO A 9 1.786 6.601 8.574 1.00 0.00 H new ATOM 0 HG3 PRO A 9 2.469 8.079 7.928 1.00 0.00 H new ATOM 0 HD2 PRO A 9 0.600 6.559 6.582 1.00 0.00 H new ATOM 0 HD3 PRO A 9 1.732 7.625 5.774 1.00 0.00 H new ATOM 152 N LYS A 10 4.167 3.321 8.113 1.00 0.00 N ATOM 153 CA LYS A 10 3.919 2.064 8.875 1.00 0.00 C ATOM 154 C LYS A 10 2.928 2.321 10.014 1.00 0.00 C ATOM 155 O LYS A 10 2.242 1.427 10.467 1.00 0.00 O ATOM 156 CB LYS A 10 5.286 1.663 9.432 1.00 0.00 C ATOM 157 CG LYS A 10 5.776 2.736 10.407 1.00 0.00 C ATOM 158 CD LYS A 10 7.296 2.869 10.303 1.00 0.00 C ATOM 159 CE LYS A 10 7.781 3.965 11.255 1.00 0.00 C ATOM 160 NZ LYS A 10 8.833 4.696 10.496 1.00 0.00 N ATOM 0 H LYS A 10 5.125 3.669 8.151 1.00 0.00 H new ATOM 0 HA LYS A 10 3.487 1.281 8.251 1.00 0.00 H new ATOM 0 HB2 LYS A 10 5.216 0.701 9.939 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.001 1.543 8.618 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.301 3.691 10.181 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.493 2.472 11.426 1.00 0.00 H new ATOM 0 HD2 LYS A 10 7.772 1.920 10.551 1.00 0.00 H new ATOM 0 HD3 LYS A 10 7.581 3.110 9.279 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.966 4.630 11.540 1.00 0.00 H new ATOM 0 HE3 LYS A 10 8.182 3.540 12.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 9.215 5.464 11.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 9.599 4.039 10.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 8.421 5.096 9.629 1.00 0.00 H new ATOM 174 N GLN A 11 2.850 3.538 10.478 1.00 0.00 N ATOM 175 CA GLN A 11 1.907 3.857 11.589 1.00 0.00 C ATOM 176 C GLN A 11 0.459 3.605 11.154 1.00 0.00 C ATOM 177 O GLN A 11 -0.450 3.624 11.958 1.00 0.00 O ATOM 178 CB GLN A 11 2.128 5.342 11.877 1.00 0.00 C ATOM 179 CG GLN A 11 1.100 5.823 12.901 1.00 0.00 C ATOM 180 CD GLN A 11 1.633 7.067 13.615 1.00 0.00 C ATOM 181 OE1 GLN A 11 1.472 8.172 13.136 1.00 0.00 O ATOM 182 NE2 GLN A 11 2.269 6.932 14.747 1.00 0.00 N ATOM 0 H GLN A 11 3.399 4.327 10.136 1.00 0.00 H new ATOM 0 HA GLN A 11 2.083 3.237 12.468 1.00 0.00 H new ATOM 0 HB2 GLN A 11 3.137 5.503 12.256 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.037 5.919 10.957 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.157 6.052 12.405 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.896 5.034 13.625 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.404 6.004 15.149 1.00 0.00 H new ATOM 0 HE22 GLN A 11 2.631 7.754 15.230 1.00 0.00 H new ATOM 191 N TYR A 12 0.239 3.370 9.889 1.00 0.00 N ATOM 192 CA TYR A 12 -1.151 3.119 9.411 1.00 0.00 C ATOM 193 C TYR A 12 -1.190 1.874 8.521 1.00 0.00 C ATOM 194 O TYR A 12 -2.211 1.535 7.959 1.00 0.00 O ATOM 195 CB TYR A 12 -1.523 4.364 8.605 1.00 0.00 C ATOM 196 CG TYR A 12 -2.188 5.373 9.510 1.00 0.00 C ATOM 197 CD1 TYR A 12 -3.525 5.199 9.888 1.00 0.00 C ATOM 198 CD2 TYR A 12 -1.469 6.482 9.971 1.00 0.00 C ATOM 199 CE1 TYR A 12 -4.142 6.134 10.727 1.00 0.00 C ATOM 200 CE2 TYR A 12 -2.086 7.416 10.810 1.00 0.00 C ATOM 201 CZ TYR A 12 -3.423 7.242 11.188 1.00 0.00 C ATOM 202 OH TYR A 12 -4.032 8.164 12.017 1.00 0.00 O ATOM 0 H TYR A 12 0.959 3.341 9.167 1.00 0.00 H new ATOM 0 HA TYR A 12 -1.844 2.942 10.234 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -0.630 4.798 8.154 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -2.194 4.094 7.789 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -4.080 4.344 9.532 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -0.438 6.617 9.679 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -5.173 6.000 11.019 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.531 8.271 11.166 1.00 0.00 H new ATOM 0 HH TYR A 12 -3.393 8.871 12.246 1.00 0.00 H new ATOM 212 N LYS A 13 -0.087 1.190 8.384 1.00 0.00 N ATOM 213 CA LYS A 13 -0.069 -0.030 7.525 1.00 0.00 C ATOM 214 C LYS A 13 -0.527 -1.253 8.323 1.00 0.00 C ATOM 215 O LYS A 13 0.053 -2.317 8.236 1.00 0.00 O ATOM 216 CB LYS A 13 1.391 -0.188 7.097 1.00 0.00 C ATOM 217 CG LYS A 13 1.661 0.683 5.868 1.00 0.00 C ATOM 218 CD LYS A 13 3.115 0.507 5.427 1.00 0.00 C ATOM 219 CE LYS A 13 3.271 -0.830 4.699 1.00 0.00 C ATOM 220 NZ LYS A 13 3.879 -0.483 3.385 1.00 0.00 N ATOM 0 H LYS A 13 0.801 1.422 8.828 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.741 0.059 6.671 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.053 0.101 7.913 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.603 -1.233 6.869 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.988 0.405 5.057 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.465 1.730 6.101 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.409 1.326 4.771 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.775 0.540 6.294 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.908 -1.514 5.261 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.308 -1.324 4.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.236 -0.769 2.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.040 0.543 3.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.786 -0.981 3.280 1.00 0.00 H new ATOM 234 N HIS A 14 -1.573 -1.123 9.089 1.00 0.00 N ATOM 235 CA HIS A 14 -2.050 -2.287 9.887 1.00 0.00 C ATOM 236 C HIS A 14 -2.969 -3.152 9.031 1.00 0.00 C ATOM 237 O HIS A 14 -3.099 -4.341 9.248 1.00 0.00 O ATOM 238 CB HIS A 14 -2.827 -1.677 11.053 1.00 0.00 C ATOM 239 CG HIS A 14 -1.934 -0.743 11.821 1.00 0.00 C ATOM 240 ND1 HIS A 14 -2.352 0.516 12.223 1.00 0.00 N ATOM 241 CD2 HIS A 14 -0.642 -0.869 12.266 1.00 0.00 C ATOM 242 CE1 HIS A 14 -1.329 1.092 12.879 1.00 0.00 C ATOM 243 NE2 HIS A 14 -0.261 0.292 12.934 1.00 0.00 N ATOM 0 H HIS A 14 -2.116 -0.266 9.197 1.00 0.00 H new ATOM 0 HA HIS A 14 -1.233 -2.921 10.232 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -3.698 -1.139 10.680 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.196 -2.465 11.709 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -0.016 -1.737 12.120 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -1.367 2.082 13.309 1.00 0.00 H new ATOM 0 HE2 HIS A 14 0.639 0.489 13.371 1.00 0.00 H new ATOM 251 N TYR A 15 -3.584 -2.572 8.045 1.00 0.00 N ATOM 252 CA TYR A 15 -4.467 -3.375 7.159 1.00 0.00 C ATOM 253 C TYR A 15 -3.608 -4.146 6.153 1.00 0.00 C ATOM 254 O TYR A 15 -4.104 -4.959 5.397 1.00 0.00 O ATOM 255 CB TYR A 15 -5.372 -2.367 6.443 1.00 0.00 C ATOM 256 CG TYR A 15 -4.545 -1.233 5.889 1.00 0.00 C ATOM 257 CD1 TYR A 15 -3.757 -1.431 4.749 1.00 0.00 C ATOM 258 CD2 TYR A 15 -4.565 0.016 6.517 1.00 0.00 C ATOM 259 CE1 TYR A 15 -2.990 -0.377 4.238 1.00 0.00 C ATOM 260 CE2 TYR A 15 -3.800 1.070 6.006 1.00 0.00 C ATOM 261 CZ TYR A 15 -3.011 0.874 4.866 1.00 0.00 C ATOM 262 OH TYR A 15 -2.255 1.912 4.363 1.00 0.00 O ATOM 0 H TYR A 15 -3.515 -1.581 7.813 1.00 0.00 H new ATOM 0 HA TYR A 15 -5.059 -4.103 7.713 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.913 -2.861 5.636 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -6.118 -1.979 7.137 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -3.741 -2.396 4.264 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.172 0.167 7.398 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -2.382 -0.529 3.359 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -3.818 2.035 6.491 1.00 0.00 H new ATOM 0 HH TYR A 15 -2.297 2.675 4.977 1.00 0.00 H new ATOM 272 N CYS A 16 -2.320 -3.902 6.139 1.00 0.00 N ATOM 273 CA CYS A 16 -1.441 -4.633 5.179 1.00 0.00 C ATOM 274 C CYS A 16 0.019 -4.579 5.639 1.00 0.00 C ATOM 275 O CYS A 16 0.503 -3.558 6.083 1.00 0.00 O ATOM 276 CB CYS A 16 -1.611 -3.902 3.847 1.00 0.00 C ATOM 277 SG CYS A 16 -2.964 -4.666 2.917 1.00 0.00 S ATOM 0 H CYS A 16 -1.844 -3.234 6.746 1.00 0.00 H new ATOM 0 HA CYS A 16 -1.707 -5.687 5.103 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -1.824 -2.847 4.022 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.686 -3.949 3.272 1.00 0.00 H new ATOM 0 HG CYS A 16 -2.964 -4.212 1.699 1.00 0.00 H new ATOM 282 N ILE A 17 0.724 -5.674 5.532 1.00 0.00 N ATOM 283 CA ILE A 17 2.152 -5.686 5.962 1.00 0.00 C ATOM 284 C ILE A 17 3.068 -5.416 4.763 1.00 0.00 C ATOM 285 O ILE A 17 3.651 -4.357 4.643 1.00 0.00 O ATOM 286 CB ILE A 17 2.389 -7.093 6.509 1.00 0.00 C ATOM 287 CG1 ILE A 17 1.720 -7.225 7.880 1.00 0.00 C ATOM 288 CG2 ILE A 17 3.892 -7.337 6.651 1.00 0.00 C ATOM 289 CD1 ILE A 17 1.211 -8.657 8.063 1.00 0.00 C ATOM 0 H ILE A 17 0.373 -6.559 5.166 1.00 0.00 H new ATOM 0 HA ILE A 17 2.366 -4.918 6.705 1.00 0.00 H new ATOM 0 HB ILE A 17 1.964 -7.827 5.824 1.00 0.00 H new ATOM 0 HG12 ILE A 17 2.430 -6.976 8.669 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.893 -6.520 7.962 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.062 -8.340 7.041 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.370 -7.241 5.676 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.316 -6.604 7.337 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.735 -8.752 9.039 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.487 -8.888 7.282 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.048 -9.352 7.999 1.00 0.00 H new ATOM 301 N LYS A 18 3.200 -6.366 3.877 1.00 0.00 N ATOM 302 CA LYS A 18 4.079 -6.158 2.689 1.00 0.00 C ATOM 303 C LYS A 18 3.277 -5.550 1.534 1.00 0.00 C ATOM 304 O LYS A 18 3.113 -6.150 0.489 1.00 0.00 O ATOM 305 CB LYS A 18 4.592 -7.553 2.318 1.00 0.00 C ATOM 306 CG LYS A 18 3.425 -8.425 1.851 1.00 0.00 C ATOM 307 CD LYS A 18 3.779 -9.900 2.051 1.00 0.00 C ATOM 308 CE LYS A 18 5.170 -10.175 1.477 1.00 0.00 C ATOM 309 NZ LYS A 18 6.012 -10.514 2.658 1.00 0.00 N ATOM 0 H LYS A 18 2.739 -7.275 3.923 1.00 0.00 H new ATOM 0 HA LYS A 18 4.898 -5.470 2.900 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.341 -7.478 1.529 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.080 -8.012 3.178 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.524 -8.177 2.412 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.210 -8.231 0.800 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.756 -10.150 3.112 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.040 -10.532 1.559 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.146 -10.996 0.760 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.560 -9.303 0.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.995 -10.226 2.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.653 -10.013 3.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.977 -11.540 2.826 1.00 0.00 H new ATOM 323 N GLY A 19 2.780 -4.357 1.717 1.00 0.00 N ATOM 324 CA GLY A 19 1.992 -3.701 0.637 1.00 0.00 C ATOM 325 C GLY A 19 1.952 -2.191 0.882 1.00 0.00 C ATOM 326 O GLY A 19 1.812 -1.739 2.001 1.00 0.00 O ATOM 0 H GLY A 19 2.886 -3.808 2.570 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.440 -3.911 -0.334 1.00 0.00 H new ATOM 0 HA3 GLY A 19 0.979 -4.104 0.615 1.00 0.00 H new ATOM 330 N ARG A 20 2.072 -1.407 -0.154 1.00 0.00 N ATOM 331 CA ARG A 20 2.038 0.075 0.026 1.00 0.00 C ATOM 332 C ARG A 20 0.651 0.610 -0.339 1.00 0.00 C ATOM 333 O ARG A 20 0.149 0.369 -1.417 1.00 0.00 O ATOM 334 CB ARG A 20 3.098 0.624 -0.932 1.00 0.00 C ATOM 335 CG ARG A 20 4.210 1.303 -0.129 1.00 0.00 C ATOM 336 CD ARG A 20 5.481 0.452 -0.193 1.00 0.00 C ATOM 337 NE ARG A 20 6.435 1.114 0.739 1.00 0.00 N ATOM 338 CZ ARG A 20 7.625 0.607 0.923 1.00 0.00 C ATOM 339 NH1 ARG A 20 7.767 -0.492 1.611 1.00 0.00 N ATOM 340 NH2 ARG A 20 8.671 1.202 0.419 1.00 0.00 N ATOM 0 H ARG A 20 2.192 -1.726 -1.115 1.00 0.00 H new ATOM 0 HA ARG A 20 2.237 0.372 1.056 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.512 -0.184 -1.535 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.646 1.337 -1.622 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.406 2.298 -0.529 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.898 1.432 0.907 1.00 0.00 H new ATOM 0 HD2 ARG A 20 5.283 -0.576 0.109 1.00 0.00 H new ATOM 0 HD3 ARG A 20 5.881 0.415 -1.206 1.00 0.00 H new ATOM 0 HE ARG A 20 6.160 1.963 1.233 1.00 0.00 H new ATOM 0 HH11 ARG A 20 6.949 -0.956 2.006 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.696 -0.887 1.754 1.00 0.00 H new ATOM 0 HH21 ARG A 20 8.559 2.062 -0.118 1.00 0.00 H new ATOM 0 HH22 ARG A 20 9.601 0.807 0.562 1.00 0.00 H new ATOM 354 N CYS A 21 0.027 1.329 0.552 1.00 0.00 N ATOM 355 CA CYS A 21 -1.331 1.870 0.254 1.00 0.00 C ATOM 356 C CYS A 21 -1.286 3.394 0.110 1.00 0.00 C ATOM 357 O CYS A 21 -0.767 4.093 0.959 1.00 0.00 O ATOM 358 CB CYS A 21 -2.183 1.466 1.459 1.00 0.00 C ATOM 359 SG CYS A 21 -3.744 2.384 1.442 1.00 0.00 S ATOM 0 H CYS A 21 0.397 1.566 1.473 1.00 0.00 H new ATOM 0 HA CYS A 21 -1.732 1.484 -0.683 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.380 0.394 1.433 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.642 1.668 2.383 1.00 0.00 H new ATOM 0 HG CYS A 21 -3.909 2.938 0.278 1.00 0.00 H new ATOM 364 N ARG A 22 -1.830 3.913 -0.956 1.00 0.00 N ATOM 365 CA ARG A 22 -1.827 5.391 -1.155 1.00 0.00 C ATOM 366 C ARG A 22 -3.096 6.001 -0.555 1.00 0.00 C ATOM 367 O ARG A 22 -4.195 5.557 -0.824 1.00 0.00 O ATOM 368 CB ARG A 22 -1.804 5.588 -2.670 1.00 0.00 C ATOM 369 CG ARG A 22 -1.345 7.011 -2.992 1.00 0.00 C ATOM 370 CD ARG A 22 -0.321 6.973 -4.128 1.00 0.00 C ATOM 371 NE ARG A 22 -1.116 6.676 -5.351 1.00 0.00 N ATOM 372 CZ ARG A 22 -0.722 5.742 -6.173 1.00 0.00 C ATOM 373 NH1 ARG A 22 0.539 5.418 -6.237 1.00 0.00 N ATOM 374 NH2 ARG A 22 -1.592 5.132 -6.931 1.00 0.00 N ATOM 0 H ARG A 22 -2.277 3.377 -1.700 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.978 5.873 -0.670 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.132 4.864 -3.131 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -2.796 5.412 -3.086 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.200 7.624 -3.279 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.905 7.471 -2.107 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.203 7.924 -4.219 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.435 6.208 -3.953 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.968 7.202 -5.546 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.219 5.895 -5.644 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.846 4.688 -6.880 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.579 5.385 -6.881 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.285 4.402 -7.574 1.00 0.00 H new ATOM 388 N PHE A 23 -2.957 7.010 0.258 1.00 0.00 N ATOM 389 CA PHE A 23 -4.160 7.640 0.874 1.00 0.00 C ATOM 390 C PHE A 23 -4.453 8.989 0.213 1.00 0.00 C ATOM 391 O PHE A 23 -3.720 9.944 0.380 1.00 0.00 O ATOM 392 CB PHE A 23 -3.797 7.831 2.346 1.00 0.00 C ATOM 393 CG PHE A 23 -5.059 7.858 3.176 1.00 0.00 C ATOM 394 CD1 PHE A 23 -6.053 8.807 2.907 1.00 0.00 C ATOM 395 CD2 PHE A 23 -5.234 6.934 4.212 1.00 0.00 C ATOM 396 CE1 PHE A 23 -7.222 8.831 3.675 1.00 0.00 C ATOM 397 CE2 PHE A 23 -6.404 6.959 4.981 1.00 0.00 C ATOM 398 CZ PHE A 23 -7.398 7.908 4.712 1.00 0.00 C ATOM 0 H PHE A 23 -2.064 7.426 0.523 1.00 0.00 H new ATOM 0 HA PHE A 23 -5.054 7.028 0.750 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -3.147 7.022 2.679 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -3.243 8.760 2.477 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -5.917 9.520 2.107 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -4.467 6.202 4.418 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -7.989 9.562 3.467 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -6.540 6.247 5.781 1.00 0.00 H new ATOM 0 HZ PHE A 23 -8.300 7.928 5.305 1.00 0.00 H new ATOM 408 N VAL A 24 -5.520 9.077 -0.533 1.00 0.00 N ATOM 409 CA VAL A 24 -5.858 10.367 -1.199 1.00 0.00 C ATOM 410 C VAL A 24 -6.540 11.309 -0.205 1.00 0.00 C ATOM 411 O VAL A 24 -7.630 11.041 0.269 1.00 0.00 O ATOM 412 CB VAL A 24 -6.817 9.992 -2.328 1.00 0.00 C ATOM 413 CG1 VAL A 24 -7.133 11.233 -3.165 1.00 0.00 C ATOM 414 CG2 VAL A 24 -6.168 8.930 -3.218 1.00 0.00 C ATOM 0 H VAL A 24 -6.172 8.313 -0.710 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.974 10.884 -1.572 1.00 0.00 H new ATOM 0 HB VAL A 24 -7.739 9.596 -1.903 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -7.817 10.964 -3.970 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.596 11.990 -2.532 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -6.211 11.630 -3.590 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -6.852 8.663 -4.023 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.245 9.325 -3.642 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -5.944 8.044 -2.623 1.00 0.00 H new ATOM 424 N VAL A 25 -5.905 12.406 0.115 1.00 0.00 N ATOM 425 CA VAL A 25 -6.508 13.372 1.081 1.00 0.00 C ATOM 426 C VAL A 25 -7.603 14.193 0.395 1.00 0.00 C ATOM 427 O VAL A 25 -8.764 14.093 0.735 1.00 0.00 O ATOM 428 CB VAL A 25 -5.352 14.275 1.512 1.00 0.00 C ATOM 429 CG1 VAL A 25 -5.836 15.245 2.591 1.00 0.00 C ATOM 430 CG2 VAL A 25 -4.218 13.415 2.073 1.00 0.00 C ATOM 0 H VAL A 25 -4.992 12.675 -0.252 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.972 12.871 1.930 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.991 14.839 0.652 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.012 15.889 2.898 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.646 15.857 2.193 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.196 14.682 3.452 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.393 14.057 2.381 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.580 12.852 2.933 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.872 12.723 1.305 1.00 0.00 H new ATOM 440 N ALA A 26 -7.241 15.004 -0.567 1.00 0.00 N ATOM 441 CA ALA A 26 -8.267 15.826 -1.274 1.00 0.00 C ATOM 442 C ALA A 26 -9.511 14.976 -1.534 1.00 0.00 C ATOM 443 O ALA A 26 -10.623 15.372 -1.244 1.00 0.00 O ATOM 444 CB ALA A 26 -7.610 16.237 -2.592 1.00 0.00 C ATOM 0 H ALA A 26 -6.283 15.132 -0.892 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.581 16.694 -0.695 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.305 16.846 -3.170 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.708 16.813 -2.385 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.348 15.345 -3.162 1.00 0.00 H new ATOM 450 N GLU A 27 -9.323 13.799 -2.060 1.00 0.00 N ATOM 451 CA GLU A 27 -10.480 12.901 -2.320 1.00 0.00 C ATOM 452 C GLU A 27 -10.387 11.688 -1.394 1.00 0.00 C ATOM 453 O GLU A 27 -9.814 10.677 -1.745 1.00 0.00 O ATOM 454 CB GLU A 27 -10.336 12.477 -3.783 1.00 0.00 C ATOM 455 CG GLU A 27 -11.697 12.031 -4.323 1.00 0.00 C ATOM 456 CD GLU A 27 -12.382 13.208 -5.018 1.00 0.00 C ATOM 457 OE1 GLU A 27 -12.776 14.133 -4.326 1.00 0.00 O ATOM 458 OE2 GLU A 27 -12.502 13.166 -6.232 1.00 0.00 O ATOM 0 H GLU A 27 -8.413 13.419 -2.322 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.441 13.382 -2.139 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -9.952 13.306 -4.377 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.615 11.664 -3.867 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.569 11.206 -5.024 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -12.321 11.663 -3.508 1.00 0.00 H new ATOM 465 N GLN A 28 -10.931 11.799 -0.208 1.00 0.00 N ATOM 466 CA GLN A 28 -10.872 10.670 0.773 1.00 0.00 C ATOM 467 C GLN A 28 -10.934 9.318 0.059 1.00 0.00 C ATOM 468 O GLN A 28 -11.997 8.784 -0.191 1.00 0.00 O ATOM 469 CB GLN A 28 -12.099 10.860 1.665 1.00 0.00 C ATOM 470 CG GLN A 28 -13.368 10.799 0.813 1.00 0.00 C ATOM 471 CD GLN A 28 -14.114 12.130 0.909 1.00 0.00 C ATOM 472 OE1 GLN A 28 -14.593 12.496 1.964 1.00 0.00 O ATOM 473 NE2 GLN A 28 -14.234 12.876 -0.155 1.00 0.00 N ATOM 0 H GLN A 28 -11.418 12.631 0.126 1.00 0.00 H new ATOM 0 HA GLN A 28 -9.942 10.675 1.341 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -12.127 10.086 2.432 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -12.041 11.818 2.181 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.111 10.588 -0.225 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -14.009 9.986 1.154 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -13.832 12.569 -1.041 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -14.730 13.766 -0.101 1.00 0.00 H new ATOM 482 N THR A 29 -9.800 8.762 -0.273 1.00 0.00 N ATOM 483 CA THR A 29 -9.796 7.443 -0.973 1.00 0.00 C ATOM 484 C THR A 29 -8.541 6.647 -0.605 1.00 0.00 C ATOM 485 O THR A 29 -7.533 6.729 -1.280 1.00 0.00 O ATOM 486 CB THR A 29 -9.799 7.783 -2.464 1.00 0.00 C ATOM 487 OG1 THR A 29 -11.094 8.228 -2.845 1.00 0.00 O ATOM 488 CG2 THR A 29 -9.424 6.541 -3.273 1.00 0.00 C ATOM 0 H THR A 29 -8.879 9.161 -0.091 1.00 0.00 H new ATOM 0 HA THR A 29 -10.652 6.828 -0.694 1.00 0.00 H new ATOM 0 HB THR A 29 -9.073 8.572 -2.658 1.00 0.00 H new ATOM 0 HG1 THR A 29 -11.180 9.185 -2.654 1.00 0.00 H new ATOM 0 HG21 THR A 29 -9.426 6.784 -4.335 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.430 6.203 -2.981 1.00 0.00 H new ATOM 0 HG23 THR A 29 -10.148 5.749 -3.081 1.00 0.00 H new ATOM 496 N PRO A 30 -8.649 5.899 0.458 1.00 0.00 N ATOM 497 CA PRO A 30 -7.512 5.072 0.927 1.00 0.00 C ATOM 498 C PRO A 30 -7.369 3.818 0.059 1.00 0.00 C ATOM 499 O PRO A 30 -7.971 2.797 0.324 1.00 0.00 O ATOM 500 CB PRO A 30 -7.907 4.699 2.353 1.00 0.00 C ATOM 501 CG PRO A 30 -9.402 4.779 2.382 1.00 0.00 C ATOM 502 CD PRO A 30 -9.829 5.759 1.317 1.00 0.00 C ATOM 0 HA PRO A 30 -6.555 5.590 0.874 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -7.562 3.697 2.608 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -7.462 5.383 3.076 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -9.841 3.799 2.198 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -9.749 5.105 3.363 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -10.687 5.388 0.756 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -10.121 6.715 1.751 1.00 0.00 H new ATOM 510 N SER A 31 -6.574 3.886 -0.974 1.00 0.00 N ATOM 511 CA SER A 31 -6.392 2.693 -1.853 1.00 0.00 C ATOM 512 C SER A 31 -5.177 1.886 -1.391 1.00 0.00 C ATOM 513 O SER A 31 -4.086 2.404 -1.275 1.00 0.00 O ATOM 514 CB SER A 31 -6.158 3.263 -3.251 1.00 0.00 C ATOM 515 OG SER A 31 -4.760 3.314 -3.510 1.00 0.00 O ATOM 0 H SER A 31 -6.043 4.713 -1.248 1.00 0.00 H new ATOM 0 HA SER A 31 -7.251 2.022 -1.828 1.00 0.00 H new ATOM 0 HB2 SER A 31 -6.655 2.643 -3.997 1.00 0.00 H new ATOM 0 HB3 SER A 31 -6.590 4.261 -3.326 1.00 0.00 H new ATOM 0 HG SER A 31 -4.607 3.678 -4.407 1.00 0.00 H new ATOM 521 N CYS A 32 -5.356 0.622 -1.121 1.00 0.00 N ATOM 522 CA CYS A 32 -4.205 -0.207 -0.661 1.00 0.00 C ATOM 523 C CYS A 32 -3.640 -1.033 -1.822 1.00 0.00 C ATOM 524 O CYS A 32 -4.360 -1.719 -2.520 1.00 0.00 O ATOM 525 CB CYS A 32 -4.783 -1.124 0.422 1.00 0.00 C ATOM 526 SG CYS A 32 -3.615 -2.460 0.774 1.00 0.00 S ATOM 0 H CYS A 32 -6.245 0.129 -1.198 1.00 0.00 H new ATOM 0 HA CYS A 32 -3.385 0.404 -0.284 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.981 -0.552 1.329 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.736 -1.538 0.092 1.00 0.00 H new ATOM 0 HG CYS A 32 -3.819 -2.909 1.977 1.00 0.00 H new ATOM 531 N VAL A 33 -2.351 -0.978 -2.024 1.00 0.00 N ATOM 532 CA VAL A 33 -1.730 -1.766 -3.127 1.00 0.00 C ATOM 533 C VAL A 33 -0.742 -2.779 -2.541 1.00 0.00 C ATOM 534 O VAL A 33 0.306 -2.421 -2.041 1.00 0.00 O ATOM 535 CB VAL A 33 -1.000 -0.742 -3.996 1.00 0.00 C ATOM 536 CG1 VAL A 33 -0.222 -1.466 -5.097 1.00 0.00 C ATOM 537 CG2 VAL A 33 -2.021 0.203 -4.633 1.00 0.00 C ATOM 0 H VAL A 33 -1.700 -0.420 -1.471 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.466 -2.326 -3.704 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.307 -0.170 -3.379 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.298 -0.735 -5.716 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.505 -2.141 -4.645 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.914 -2.038 -5.715 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.503 0.934 -5.253 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.713 -0.371 -5.250 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.576 0.720 -3.850 1.00 0.00 H new ATOM 547 N CYS A 34 -1.075 -4.038 -2.590 1.00 0.00 N ATOM 548 CA CYS A 34 -0.163 -5.074 -2.023 1.00 0.00 C ATOM 549 C CYS A 34 0.968 -5.388 -3.005 1.00 0.00 C ATOM 550 O CYS A 34 0.826 -5.230 -4.201 1.00 0.00 O ATOM 551 CB CYS A 34 -1.042 -6.308 -1.813 1.00 0.00 C ATOM 552 SG CYS A 34 -2.611 -5.823 -1.046 1.00 0.00 S ATOM 0 H CYS A 34 -1.939 -4.396 -2.998 1.00 0.00 H new ATOM 0 HA CYS A 34 0.305 -4.741 -1.097 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.230 -6.798 -2.768 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.526 -7.030 -1.180 1.00 0.00 H new ATOM 0 HG CYS A 34 -2.595 -6.142 0.214 1.00 0.00 H new ATOM 557 N ASP A 35 2.091 -5.834 -2.509 1.00 0.00 N ATOM 558 CA ASP A 35 3.227 -6.161 -3.418 1.00 0.00 C ATOM 559 C ASP A 35 2.744 -7.054 -4.565 1.00 0.00 C ATOM 560 O ASP A 35 2.280 -8.157 -4.354 1.00 0.00 O ATOM 561 CB ASP A 35 4.234 -6.909 -2.542 1.00 0.00 C ATOM 562 CG ASP A 35 5.304 -5.935 -2.047 1.00 0.00 C ATOM 563 OD1 ASP A 35 5.087 -4.739 -2.159 1.00 0.00 O ATOM 564 OD2 ASP A 35 6.323 -6.400 -1.563 1.00 0.00 O ATOM 0 H ASP A 35 2.270 -5.986 -1.516 1.00 0.00 H new ATOM 0 HA ASP A 35 3.664 -5.271 -3.870 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.724 -7.367 -1.694 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.697 -7.716 -3.110 1.00 0.00 H new ATOM 569 N GLU A 36 2.846 -6.584 -5.778 1.00 0.00 N ATOM 570 CA GLU A 36 2.391 -7.404 -6.938 1.00 0.00 C ATOM 571 C GLU A 36 2.822 -8.864 -6.764 1.00 0.00 C ATOM 572 O GLU A 36 2.043 -9.777 -6.950 1.00 0.00 O ATOM 573 CB GLU A 36 3.080 -6.784 -8.154 1.00 0.00 C ATOM 574 CG GLU A 36 2.023 -6.282 -9.141 1.00 0.00 C ATOM 575 CD GLU A 36 2.592 -6.318 -10.560 1.00 0.00 C ATOM 576 OE1 GLU A 36 3.715 -5.878 -10.739 1.00 0.00 O ATOM 577 OE2 GLU A 36 1.893 -6.784 -11.445 1.00 0.00 O ATOM 0 H GLU A 36 3.225 -5.667 -6.017 1.00 0.00 H new ATOM 0 HA GLU A 36 1.306 -7.406 -7.038 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.721 -5.960 -7.841 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.722 -7.521 -8.636 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.129 -6.903 -9.080 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.723 -5.266 -8.884 1.00 0.00 H new ATOM 584 N GLY A 37 4.057 -9.091 -6.411 1.00 0.00 N ATOM 585 CA GLY A 37 4.536 -10.491 -6.229 1.00 0.00 C ATOM 586 C GLY A 37 4.322 -10.931 -4.779 1.00 0.00 C ATOM 587 O GLY A 37 5.219 -11.447 -4.140 1.00 0.00 O ATOM 0 H GLY A 37 4.756 -8.368 -6.241 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.000 -11.159 -6.904 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.593 -10.559 -6.487 1.00 0.00 H new ATOM 591 N TYR A 38 3.143 -10.738 -4.253 1.00 0.00 N ATOM 592 CA TYR A 38 2.882 -11.154 -2.843 1.00 0.00 C ATOM 593 C TYR A 38 1.719 -12.155 -2.790 1.00 0.00 C ATOM 594 O TYR A 38 1.062 -12.411 -3.780 1.00 0.00 O ATOM 595 CB TYR A 38 2.550 -9.851 -2.095 1.00 0.00 C ATOM 596 CG TYR A 38 1.054 -9.617 -2.050 1.00 0.00 C ATOM 597 CD1 TYR A 38 0.314 -9.544 -3.237 1.00 0.00 C ATOM 598 CD2 TYR A 38 0.409 -9.473 -0.815 1.00 0.00 C ATOM 599 CE1 TYR A 38 -1.069 -9.327 -3.188 1.00 0.00 C ATOM 600 CE2 TYR A 38 -0.973 -9.259 -0.766 1.00 0.00 C ATOM 601 CZ TYR A 38 -1.712 -9.185 -1.953 1.00 0.00 C ATOM 602 OH TYR A 38 -3.075 -8.972 -1.906 1.00 0.00 O ATOM 0 H TYR A 38 2.351 -10.312 -4.735 1.00 0.00 H new ATOM 0 HA TYR A 38 3.735 -11.660 -2.390 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.945 -9.899 -1.080 1.00 0.00 H new ATOM 0 HB3 TYR A 38 3.039 -9.010 -2.587 1.00 0.00 H new ATOM 0 HD1 TYR A 38 0.810 -9.655 -4.190 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.979 -9.527 0.101 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.639 -9.269 -4.103 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -1.469 -9.151 0.187 1.00 0.00 H new ATOM 0 HH TYR A 38 -3.252 -8.042 -1.654 1.00 0.00 H new ATOM 612 N ILE A 39 1.462 -12.723 -1.642 1.00 0.00 N ATOM 613 CA ILE A 39 0.345 -13.704 -1.528 1.00 0.00 C ATOM 614 C ILE A 39 -0.342 -13.567 -0.166 1.00 0.00 C ATOM 615 O ILE A 39 0.294 -13.307 0.837 1.00 0.00 O ATOM 616 CB ILE A 39 1.005 -15.076 -1.660 1.00 0.00 C ATOM 617 CG1 ILE A 39 1.929 -15.083 -2.880 1.00 0.00 C ATOM 618 CG2 ILE A 39 -0.072 -16.148 -1.832 1.00 0.00 C ATOM 619 CD1 ILE A 39 2.474 -16.495 -3.098 1.00 0.00 C ATOM 0 H ILE A 39 1.977 -12.550 -0.779 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.421 -13.547 -2.288 1.00 0.00 H new ATOM 0 HB ILE A 39 1.586 -15.286 -0.762 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.384 -14.751 -3.764 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.751 -14.383 -2.731 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.400 -17.126 -1.926 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.731 -16.145 -0.963 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.654 -15.938 -2.729 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.132 -16.501 -3.967 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.033 -16.809 -2.217 1.00 0.00 H new ATOM 0 HD13 ILE A 39 1.645 -17.183 -3.266 1.00 0.00 H new ATOM 631 N GLY A 40 -1.634 -13.738 -0.122 1.00 0.00 N ATOM 632 CA GLY A 40 -2.359 -13.618 1.174 1.00 0.00 C ATOM 633 C GLY A 40 -3.366 -12.469 1.094 1.00 0.00 C ATOM 634 O GLY A 40 -3.370 -11.700 0.153 1.00 0.00 O ATOM 0 H GLY A 40 -2.220 -13.956 -0.928 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.874 -14.551 1.402 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.651 -13.439 1.983 1.00 0.00 H new ATOM 638 N ALA A 41 -4.221 -12.345 2.072 1.00 0.00 N ATOM 639 CA ALA A 41 -5.227 -11.245 2.050 1.00 0.00 C ATOM 640 C ALA A 41 -4.649 -9.985 2.698 1.00 0.00 C ATOM 641 O ALA A 41 -4.764 -8.896 2.173 1.00 0.00 O ATOM 642 CB ALA A 41 -6.409 -11.773 2.862 1.00 0.00 C ATOM 0 H ALA A 41 -4.267 -12.958 2.886 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.519 -10.973 1.036 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.195 -11.018 2.893 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.795 -12.680 2.396 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.082 -11.998 3.877 1.00 0.00 H new ATOM 648 N ARG A 42 -4.026 -10.124 3.837 1.00 0.00 N ATOM 649 CA ARG A 42 -3.442 -8.933 4.517 1.00 0.00 C ATOM 650 C ARG A 42 -1.986 -8.738 4.082 1.00 0.00 C ATOM 651 O ARG A 42 -1.253 -7.964 4.663 1.00 0.00 O ATOM 652 CB ARG A 42 -3.520 -9.250 6.010 1.00 0.00 C ATOM 653 CG ARG A 42 -4.984 -9.257 6.453 1.00 0.00 C ATOM 654 CD ARG A 42 -5.173 -8.274 7.610 1.00 0.00 C ATOM 655 NE ARG A 42 -5.062 -6.924 6.990 1.00 0.00 N ATOM 656 CZ ARG A 42 -6.140 -6.271 6.652 1.00 0.00 C ATOM 657 NH1 ARG A 42 -6.846 -5.662 7.565 1.00 0.00 N ATOM 658 NH2 ARG A 42 -6.511 -6.227 5.402 1.00 0.00 N ATOM 0 H ARG A 42 -3.896 -11.010 4.325 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.973 -8.014 4.269 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.063 -10.219 6.211 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.960 -8.509 6.580 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.629 -8.981 5.619 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.276 -10.260 6.763 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.143 -8.410 8.089 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -4.414 -8.419 8.379 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.144 -6.510 6.830 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.555 -5.697 8.542 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -7.689 -5.151 7.302 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.958 -6.703 4.689 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.354 -5.717 5.138 1.00 0.00 H new ATOM 672 N CYS A 43 -1.568 -9.435 3.061 1.00 0.00 N ATOM 673 CA CYS A 43 -0.162 -9.295 2.579 1.00 0.00 C ATOM 674 C CYS A 43 0.813 -9.840 3.627 1.00 0.00 C ATOM 675 O CYS A 43 1.614 -9.113 4.182 1.00 0.00 O ATOM 676 CB CYS A 43 0.055 -7.790 2.377 1.00 0.00 C ATOM 677 SG CYS A 43 -1.399 -7.056 1.584 1.00 0.00 S ATOM 0 H CYS A 43 -2.140 -10.098 2.538 1.00 0.00 H new ATOM 0 HA CYS A 43 0.010 -9.854 1.659 1.00 0.00 H new ATOM 0 HB2 CYS A 43 0.238 -7.308 3.338 1.00 0.00 H new ATOM 0 HB3 CYS A 43 0.939 -7.621 1.762 1.00 0.00 H new ATOM 0 HG CYS A 43 -1.898 -6.138 2.358 1.00 0.00 H new ATOM 682 N GLU A 44 0.754 -11.115 3.898 1.00 0.00 N ATOM 683 CA GLU A 44 1.679 -11.708 4.908 1.00 0.00 C ATOM 684 C GLU A 44 2.607 -12.728 4.242 1.00 0.00 C ATOM 685 O GLU A 44 3.596 -13.145 4.811 1.00 0.00 O ATOM 686 CB GLU A 44 0.767 -12.397 5.925 1.00 0.00 C ATOM 687 CG GLU A 44 -0.120 -11.354 6.608 1.00 0.00 C ATOM 688 CD GLU A 44 -0.587 -11.890 7.963 1.00 0.00 C ATOM 689 OE1 GLU A 44 -1.197 -12.946 7.980 1.00 0.00 O ATOM 690 OE2 GLU A 44 -0.328 -11.234 8.958 1.00 0.00 O ATOM 0 H GLU A 44 0.106 -11.773 3.464 1.00 0.00 H new ATOM 0 HA GLU A 44 2.316 -10.957 5.375 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.149 -13.144 5.427 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.366 -12.923 6.669 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.432 -10.424 6.744 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.980 -11.125 5.979 1.00 0.00 H new ATOM 697 N ARG A 45 2.294 -13.133 3.041 1.00 0.00 N ATOM 698 CA ARG A 45 3.158 -14.128 2.342 1.00 0.00 C ATOM 699 C ARG A 45 3.745 -13.519 1.067 1.00 0.00 C ATOM 700 O ARG A 45 3.436 -12.401 0.701 1.00 0.00 O ATOM 701 CB ARG A 45 2.225 -15.289 2.000 1.00 0.00 C ATOM 702 CG ARG A 45 2.207 -16.289 3.158 1.00 0.00 C ATOM 703 CD ARG A 45 1.529 -17.583 2.704 1.00 0.00 C ATOM 704 NE ARG A 45 0.994 -18.195 3.951 1.00 0.00 N ATOM 705 CZ ARG A 45 1.256 -19.441 4.231 1.00 0.00 C ATOM 706 NH1 ARG A 45 0.894 -20.386 3.406 1.00 0.00 N ATOM 707 NH2 ARG A 45 1.882 -19.745 5.336 1.00 0.00 N ATOM 0 H ARG A 45 1.479 -12.819 2.514 1.00 0.00 H new ATOM 0 HA ARG A 45 4.000 -14.447 2.957 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.218 -14.917 1.812 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.559 -15.781 1.086 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.224 -16.496 3.490 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.674 -15.866 4.010 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.731 -17.381 1.990 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.238 -18.248 2.210 1.00 0.00 H new ATOM 0 HE ARG A 45 0.422 -17.639 4.587 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.406 -20.149 2.542 1.00 0.00 H new ATOM 0 HH12 ARG A 45 1.099 -21.361 3.625 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.166 -19.007 5.981 1.00 0.00 H new ATOM 0 HH22 ARG A 45 2.087 -20.720 5.554 1.00 0.00 H new ATOM 721 N VAL A 46 4.589 -14.244 0.386 1.00 0.00 N ATOM 722 CA VAL A 46 5.196 -13.708 -0.865 1.00 0.00 C ATOM 723 C VAL A 46 5.307 -14.816 -1.917 1.00 0.00 C ATOM 724 O VAL A 46 5.254 -15.989 -1.603 1.00 0.00 O ATOM 725 CB VAL A 46 6.584 -13.221 -0.453 1.00 0.00 C ATOM 726 CG1 VAL A 46 7.430 -14.414 -0.003 1.00 0.00 C ATOM 727 CG2 VAL A 46 7.259 -12.538 -1.644 1.00 0.00 C ATOM 0 H VAL A 46 4.885 -15.186 0.642 1.00 0.00 H new ATOM 0 HA VAL A 46 4.597 -12.911 -1.306 1.00 0.00 H new ATOM 0 HB VAL A 46 6.491 -12.511 0.369 1.00 0.00 H new ATOM 0 HG11 VAL A 46 8.421 -14.067 0.291 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.949 -14.901 0.845 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.523 -15.124 -0.824 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.249 -12.190 -1.351 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.352 -13.248 -2.466 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.657 -11.688 -1.965 1.00 0.00 H new ATOM 737 N ASP A 47 5.462 -14.456 -3.162 1.00 0.00 N ATOM 738 CA ASP A 47 5.578 -15.491 -4.229 1.00 0.00 C ATOM 739 C ASP A 47 6.983 -15.469 -4.834 1.00 0.00 C ATOM 740 O ASP A 47 7.151 -15.445 -6.038 1.00 0.00 O ATOM 741 CB ASP A 47 4.535 -15.101 -5.276 1.00 0.00 C ATOM 742 CG ASP A 47 4.006 -16.362 -5.964 1.00 0.00 C ATOM 743 OD1 ASP A 47 3.667 -17.298 -5.259 1.00 0.00 O ATOM 744 OD2 ASP A 47 3.949 -16.369 -7.183 1.00 0.00 O ATOM 0 H ASP A 47 5.513 -13.490 -3.487 1.00 0.00 H new ATOM 0 HA ASP A 47 5.413 -16.499 -3.848 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.715 -14.560 -4.804 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.977 -14.430 -6.013 1.00 0.00 H new ATOM 749 N LEU A 48 7.994 -15.474 -4.009 1.00 0.00 N ATOM 750 CA LEU A 48 9.389 -15.452 -4.537 1.00 0.00 C ATOM 751 C LEU A 48 10.139 -16.715 -4.105 1.00 0.00 C ATOM 752 O LEU A 48 10.897 -17.287 -4.862 1.00 0.00 O ATOM 753 CB LEU A 48 10.027 -14.211 -3.911 1.00 0.00 C ATOM 754 CG LEU A 48 9.935 -13.040 -4.892 1.00 0.00 C ATOM 755 CD1 LEU A 48 10.818 -13.323 -6.108 1.00 0.00 C ATOM 756 CD2 LEU A 48 8.484 -12.869 -5.347 1.00 0.00 C ATOM 0 H LEU A 48 7.915 -15.492 -2.992 1.00 0.00 H new ATOM 0 HA LEU A 48 9.418 -15.423 -5.626 1.00 0.00 H new ATOM 0 HB2 LEU A 48 9.520 -13.959 -2.979 1.00 0.00 H new ATOM 0 HB3 LEU A 48 11.070 -14.411 -3.663 1.00 0.00 H new ATOM 0 HG LEU A 48 10.273 -12.128 -4.401 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.753 -12.489 -6.807 1.00 0.00 H new ATOM 0 HD12 LEU A 48 11.852 -13.446 -5.786 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.480 -14.235 -6.599 1.00 0.00 H new ATOM 0 HD21 LEU A 48 8.418 -12.035 -6.046 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.147 -13.782 -5.838 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.853 -12.668 -4.482 1.00 0.00 H new ATOM 768 N PHE A 49 9.931 -17.154 -2.894 1.00 0.00 N ATOM 769 CA PHE A 49 10.633 -18.380 -2.415 1.00 0.00 C ATOM 770 C PHE A 49 9.827 -19.629 -2.786 1.00 0.00 C ATOM 771 O PHE A 49 10.303 -20.501 -3.484 1.00 0.00 O ATOM 772 CB PHE A 49 10.710 -18.224 -0.896 1.00 0.00 C ATOM 773 CG PHE A 49 12.130 -18.457 -0.436 1.00 0.00 C ATOM 774 CD1 PHE A 49 13.139 -17.556 -0.798 1.00 0.00 C ATOM 775 CD2 PHE A 49 12.436 -19.572 0.352 1.00 0.00 C ATOM 776 CE1 PHE A 49 14.455 -17.771 -0.370 1.00 0.00 C ATOM 777 CE2 PHE A 49 13.753 -19.788 0.779 1.00 0.00 C ATOM 778 CZ PHE A 49 14.762 -18.887 0.418 1.00 0.00 C ATOM 0 H PHE A 49 9.306 -16.718 -2.216 1.00 0.00 H new ATOM 0 HA PHE A 49 11.620 -18.493 -2.864 1.00 0.00 H new ATOM 0 HB2 PHE A 49 10.382 -17.226 -0.605 1.00 0.00 H new ATOM 0 HB3 PHE A 49 10.039 -18.934 -0.413 1.00 0.00 H new ATOM 0 HD1 PHE A 49 12.902 -16.696 -1.407 1.00 0.00 H new ATOM 0 HD2 PHE A 49 11.657 -20.266 0.631 1.00 0.00 H new ATOM 0 HE1 PHE A 49 15.233 -17.076 -0.648 1.00 0.00 H new ATOM 0 HE2 PHE A 49 13.990 -20.649 1.386 1.00 0.00 H new ATOM 0 HZ PHE A 49 15.777 -19.053 0.747 1.00 0.00 H new ATOM 788 N TYR A 50 8.610 -19.720 -2.323 1.00 0.00 N ATOM 789 CA TYR A 50 7.776 -20.913 -2.650 1.00 0.00 C ATOM 790 C TYR A 50 6.980 -20.668 -3.935 1.00 0.00 C ATOM 791 O TYR A 50 6.150 -21.499 -4.262 1.00 0.00 O ATOM 792 CB TYR A 50 6.833 -21.079 -1.457 1.00 0.00 C ATOM 793 CG TYR A 50 6.757 -22.539 -1.076 1.00 0.00 C ATOM 794 CD1 TYR A 50 7.841 -23.152 -0.437 1.00 0.00 C ATOM 795 CD2 TYR A 50 5.604 -23.278 -1.362 1.00 0.00 C ATOM 796 CE1 TYR A 50 7.772 -24.504 -0.083 1.00 0.00 C ATOM 797 CE2 TYR A 50 5.534 -24.631 -1.009 1.00 0.00 C ATOM 798 CZ TYR A 50 6.618 -25.244 -0.369 1.00 0.00 C ATOM 799 OH TYR A 50 6.549 -26.577 -0.020 1.00 0.00 O ATOM 800 OXT TYR A 50 7.215 -19.652 -4.569 1.00 0.00 O ATOM 0 H TYR A 50 8.157 -19.022 -1.733 1.00 0.00 H new ATOM 0 HA TYR A 50 8.381 -21.804 -2.817 1.00 0.00 H new ATOM 0 HB2 TYR A 50 7.190 -20.490 -0.612 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.841 -20.706 -1.709 1.00 0.00 H new ATOM 0 HD1 TYR A 50 8.731 -22.581 -0.217 1.00 0.00 H new ATOM 0 HD2 TYR A 50 4.768 -22.805 -1.855 1.00 0.00 H new ATOM 0 HE1 TYR A 50 8.608 -24.977 0.411 1.00 0.00 H new ATOM 0 HE2 TYR A 50 4.644 -25.202 -1.230 1.00 0.00 H new ATOM 0 HH TYR A 50 5.680 -26.941 -0.289 1.00 0.00 H new TER 810 TYR A 50