USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 438 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 15 THR OG1 : rot 128:sc= 1.73 USER MOD Set 1.2: A 17 SER OG : rot 79:sc= 1.59 USER MOD Set 1.3: A 21 GLN : amide:sc= 0.019 K(o=3.3,f=1.8) USER MOD Single : A 1 THR N :NH3+ 179:sc= -0.041 (180deg=-0.0482) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -51:sc= 0.443 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HD1:sc= -0.426 K(o=-0.43,f=-1.7) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -122:sc= 0.519 USER MOD Single : A 47 GLN : amide:sc= -0.0344 X(o=-0.034,f=-0.23) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot -24:sc= 0.773 USER MOD Single : A 58 TYR OH : rot 180:sc= -0.0239 USER MOD Single : A 60 SER OG : rot 180:sc= 0.0643 USER MOD Single : A 62 SER OG : rot 180:sc= 0.00695 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 1.422 28.126 2.645 1.00 0.00 N ATOM 2 CA THR A 1 0.278 27.901 1.743 1.00 0.00 C ATOM 3 C THR A 1 0.557 26.756 0.762 1.00 0.00 C ATOM 4 O THR A 1 0.937 26.979 -0.385 1.00 0.00 O ATOM 5 CB THR A 1 -0.203 29.206 1.085 1.00 0.00 C ATOM 6 OG1 THR A 1 -1.210 28.952 0.125 1.00 0.00 O ATOM 7 CG2 THR A 1 0.932 30.001 0.445 1.00 0.00 C ATOM 0 H1 THR A 1 1.209 28.918 3.285 1.00 0.00 H new ATOM 0 H2 THR A 1 1.598 27.267 3.204 1.00 0.00 H new ATOM 0 H3 THR A 1 2.267 28.353 2.083 1.00 0.00 H new ATOM 0 HA THR A 1 -0.570 27.567 2.341 1.00 0.00 H new ATOM 0 HB THR A 1 -0.616 29.814 1.890 1.00 0.00 H new ATOM 0 HG1 THR A 1 -1.499 29.798 -0.277 1.00 0.00 H new ATOM 0 HG21 THR A 1 0.532 30.911 -0.003 1.00 0.00 H new ATOM 0 HG22 THR A 1 1.666 30.264 1.206 1.00 0.00 H new ATOM 0 HG23 THR A 1 1.410 29.397 -0.326 1.00 0.00 H new ATOM 17 N LYS A 2 0.370 25.517 1.233 1.00 0.00 N ATOM 18 CA LYS A 2 0.468 24.306 0.429 1.00 0.00 C ATOM 19 C LYS A 2 -0.227 23.158 1.164 1.00 0.00 C ATOM 20 O LYS A 2 -0.443 23.239 2.373 1.00 0.00 O ATOM 21 CB LYS A 2 1.932 23.976 0.090 1.00 0.00 C ATOM 22 CG LYS A 2 2.824 23.810 1.329 1.00 0.00 C ATOM 23 CD LYS A 2 4.235 23.328 0.961 1.00 0.00 C ATOM 24 CE LYS A 2 4.993 24.331 0.081 1.00 0.00 C ATOM 25 NZ LYS A 2 6.398 23.929 -0.107 1.00 0.00 N ATOM 0 H LYS A 2 0.141 25.331 2.209 1.00 0.00 H new ATOM 0 HA LYS A 2 -0.037 24.463 -0.524 1.00 0.00 H new ATOM 0 HB2 LYS A 2 1.963 23.058 -0.496 1.00 0.00 H new ATOM 0 HB3 LYS A 2 2.339 24.769 -0.538 1.00 0.00 H new ATOM 0 HG2 LYS A 2 2.892 24.761 1.857 1.00 0.00 H new ATOM 0 HG3 LYS A 2 2.364 23.097 2.014 1.00 0.00 H new ATOM 0 HD2 LYS A 2 4.803 23.150 1.874 1.00 0.00 H new ATOM 0 HD3 LYS A 2 4.164 22.374 0.439 1.00 0.00 H new ATOM 0 HE2 LYS A 2 4.503 24.409 -0.889 1.00 0.00 H new ATOM 0 HE3 LYS A 2 4.954 25.320 0.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 6.882 24.628 -0.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 6.871 23.879 0.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 6.434 22.996 -0.565 1.00 0.00 H new ATOM 39 N SER A 3 -0.578 22.103 0.420 1.00 0.00 N ATOM 40 CA SER A 3 -1.251 20.912 0.923 1.00 0.00 C ATOM 41 C SER A 3 -0.409 19.672 0.616 1.00 0.00 C ATOM 42 O SER A 3 0.585 19.753 -0.106 1.00 0.00 O ATOM 43 CB SER A 3 -2.643 20.814 0.283 1.00 0.00 C ATOM 44 OG SER A 3 -2.545 20.721 -1.124 1.00 0.00 O ATOM 0 H SER A 3 -0.393 22.059 -0.582 1.00 0.00 H new ATOM 0 HA SER A 3 -1.369 20.976 2.005 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.167 19.942 0.674 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.235 21.689 0.553 1.00 0.00 H new ATOM 0 HG SER A 3 -3.443 20.658 -1.511 1.00 0.00 H new ATOM 50 N THR A 4 -0.818 18.521 1.162 1.00 0.00 N ATOM 51 CA THR A 4 -0.210 17.232 0.875 1.00 0.00 C ATOM 52 C THR A 4 -1.265 16.133 1.010 1.00 0.00 C ATOM 53 O THR A 4 -2.082 16.156 1.930 1.00 0.00 O ATOM 54 CB THR A 4 1.019 16.991 1.769 1.00 0.00 C ATOM 55 OG1 THR A 4 1.607 15.753 1.425 1.00 0.00 O ATOM 56 CG2 THR A 4 0.700 16.995 3.270 1.00 0.00 C ATOM 0 H THR A 4 -1.592 18.466 1.824 1.00 0.00 H new ATOM 0 HA THR A 4 0.156 17.218 -0.151 1.00 0.00 H new ATOM 0 HB THR A 4 1.703 17.821 1.591 1.00 0.00 H new ATOM 0 HG1 THR A 4 2.392 15.595 1.990 1.00 0.00 H new ATOM 0 HG21 THR A 4 1.614 16.819 3.837 1.00 0.00 H new ATOM 0 HG22 THR A 4 0.280 17.961 3.550 1.00 0.00 H new ATOM 0 HG23 THR A 4 -0.021 16.208 3.491 1.00 0.00 H new ATOM 64 N THR A 5 -1.244 15.185 0.068 1.00 0.00 N ATOM 65 CA THR A 5 -2.112 14.015 0.022 1.00 0.00 C ATOM 66 C THR A 5 -1.495 13.007 -0.958 1.00 0.00 C ATOM 67 O THR A 5 -2.169 12.472 -1.838 1.00 0.00 O ATOM 68 CB THR A 5 -3.554 14.433 -0.336 1.00 0.00 C ATOM 69 OG1 THR A 5 -4.385 13.295 -0.433 1.00 0.00 O ATOM 70 CG2 THR A 5 -3.652 15.256 -1.630 1.00 0.00 C ATOM 0 H THR A 5 -0.591 15.218 -0.715 1.00 0.00 H new ATOM 0 HA THR A 5 -2.185 13.531 0.996 1.00 0.00 H new ATOM 0 HB THR A 5 -3.891 15.079 0.475 1.00 0.00 H new ATOM 0 HG1 THR A 5 -3.971 12.637 -1.030 1.00 0.00 H new ATOM 0 HG21 THR A 5 -4.694 15.514 -1.819 1.00 0.00 H new ATOM 0 HG22 THR A 5 -3.065 16.169 -1.526 1.00 0.00 H new ATOM 0 HG23 THR A 5 -3.267 14.670 -2.464 1.00 0.00 H new ATOM 78 N THR A 6 -0.185 12.778 -0.817 1.00 0.00 N ATOM 79 CA THR A 6 0.625 12.059 -1.785 1.00 0.00 C ATOM 80 C THR A 6 0.503 10.545 -1.607 1.00 0.00 C ATOM 81 O THR A 6 -0.104 10.062 -0.652 1.00 0.00 O ATOM 82 CB THR A 6 2.083 12.522 -1.647 1.00 0.00 C ATOM 83 OG1 THR A 6 2.568 12.247 -0.348 1.00 0.00 O ATOM 84 CG2 THR A 6 2.224 14.020 -1.940 1.00 0.00 C ATOM 0 H THR A 6 0.346 13.097 -0.007 1.00 0.00 H new ATOM 0 HA THR A 6 0.266 12.282 -2.790 1.00 0.00 H new ATOM 0 HB THR A 6 2.673 11.970 -2.379 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.498 12.546 -0.276 1.00 0.00 H new ATOM 0 HG21 THR A 6 3.268 14.315 -1.833 1.00 0.00 H new ATOM 0 HG22 THR A 6 1.891 14.225 -2.958 1.00 0.00 H new ATOM 0 HG23 THR A 6 1.613 14.587 -1.238 1.00 0.00 H new ATOM 92 N ALA A 7 1.121 9.803 -2.533 1.00 0.00 N ATOM 93 CA ALA A 7 1.328 8.369 -2.417 1.00 0.00 C ATOM 94 C ALA A 7 2.030 8.065 -1.095 1.00 0.00 C ATOM 95 O ALA A 7 3.129 8.565 -0.861 1.00 0.00 O ATOM 96 CB ALA A 7 2.171 7.886 -3.600 1.00 0.00 C ATOM 0 H ALA A 7 1.495 10.197 -3.396 1.00 0.00 H new ATOM 0 HA ALA A 7 0.371 7.848 -2.431 1.00 0.00 H new ATOM 0 HB1 ALA A 7 2.330 6.811 -3.519 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.650 8.106 -4.532 1.00 0.00 H new ATOM 0 HB3 ALA A 7 3.134 8.397 -3.593 1.00 0.00 H new ATOM 102 N CYS A 8 1.382 7.276 -0.229 1.00 0.00 N ATOM 103 CA CYS A 8 1.901 6.954 1.091 1.00 0.00 C ATOM 104 C CYS A 8 1.577 5.528 1.497 1.00 0.00 C ATOM 105 O CYS A 8 0.759 4.854 0.874 1.00 0.00 O ATOM 106 CB CYS A 8 1.439 7.965 2.138 1.00 0.00 C ATOM 107 SG CYS A 8 -0.335 8.286 2.336 1.00 0.00 S ATOM 0 H CYS A 8 0.480 6.845 -0.432 1.00 0.00 H new ATOM 0 HA CYS A 8 2.987 7.024 1.034 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.823 7.636 3.104 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.921 8.916 1.911 1.00 0.00 H new ATOM 112 N CYS A 9 2.282 5.075 2.534 1.00 0.00 N ATOM 113 CA CYS A 9 2.357 3.682 2.939 1.00 0.00 C ATOM 114 C CYS A 9 3.143 3.589 4.245 1.00 0.00 C ATOM 115 O CYS A 9 4.106 4.328 4.430 1.00 0.00 O ATOM 116 CB CYS A 9 3.077 2.908 1.834 1.00 0.00 C ATOM 117 SG CYS A 9 3.286 1.135 2.067 1.00 0.00 S ATOM 0 H CYS A 9 2.832 5.692 3.131 1.00 0.00 H new ATOM 0 HA CYS A 9 1.362 3.265 3.095 1.00 0.00 H new ATOM 0 HB2 CYS A 9 2.532 3.064 0.903 1.00 0.00 H new ATOM 0 HB3 CYS A 9 4.065 3.349 1.702 1.00 0.00 H new ATOM 122 N ASP A 10 2.743 2.677 5.138 1.00 0.00 N ATOM 123 CA ASP A 10 3.318 2.542 6.470 1.00 0.00 C ATOM 124 C ASP A 10 4.227 1.314 6.495 1.00 0.00 C ATOM 125 O ASP A 10 5.441 1.452 6.630 1.00 0.00 O ATOM 126 CB ASP A 10 2.191 2.435 7.504 1.00 0.00 C ATOM 127 CG ASP A 10 2.735 2.169 8.904 1.00 0.00 C ATOM 128 OD1 ASP A 10 3.351 3.055 9.491 1.00 0.00 O ATOM 129 OD2 ASP A 10 2.491 0.928 9.412 1.00 0.00 O ATOM 0 H ASP A 10 2.000 2.005 4.948 1.00 0.00 H new ATOM 0 HA ASP A 10 3.917 3.417 6.720 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.611 3.358 7.508 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.510 1.633 7.219 1.00 0.00 H new ATOM 135 N PHE A 11 3.646 0.119 6.341 1.00 0.00 N ATOM 136 CA PHE A 11 4.399 -1.113 6.198 1.00 0.00 C ATOM 137 C PHE A 11 4.750 -1.280 4.723 1.00 0.00 C ATOM 138 O PHE A 11 3.874 -1.577 3.912 1.00 0.00 O ATOM 139 CB PHE A 11 3.569 -2.303 6.682 1.00 0.00 C ATOM 140 CG PHE A 11 3.038 -2.232 8.101 1.00 0.00 C ATOM 141 CD1 PHE A 11 3.917 -2.030 9.182 1.00 0.00 C ATOM 142 CD2 PHE A 11 1.663 -2.407 8.346 1.00 0.00 C ATOM 143 CE1 PHE A 11 3.423 -2.015 10.499 1.00 0.00 C ATOM 144 CE2 PHE A 11 1.169 -2.385 9.660 1.00 0.00 C ATOM 145 CZ PHE A 11 2.047 -2.180 10.738 1.00 0.00 C ATOM 0 H PHE A 11 2.635 -0.012 6.313 1.00 0.00 H new ATOM 0 HA PHE A 11 5.306 -1.071 6.800 1.00 0.00 H new ATOM 0 HB2 PHE A 11 2.721 -2.423 6.007 1.00 0.00 H new ATOM 0 HB3 PHE A 11 4.179 -3.202 6.592 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.972 -1.886 9.000 1.00 0.00 H new ATOM 0 HD2 PHE A 11 0.985 -2.559 7.519 1.00 0.00 H new ATOM 0 HE1 PHE A 11 4.101 -1.877 11.328 1.00 0.00 H new ATOM 0 HE2 PHE A 11 0.114 -2.526 9.842 1.00 0.00 H new ATOM 0 HZ PHE A 11 1.666 -2.149 11.748 1.00 0.00 H new ATOM 155 N CYS A 12 6.029 -1.085 4.389 1.00 0.00 N ATOM 156 CA CYS A 12 6.559 -1.170 3.036 1.00 0.00 C ATOM 157 C CYS A 12 7.714 -2.178 2.952 1.00 0.00 C ATOM 158 O CYS A 12 8.832 -1.802 2.599 1.00 0.00 O ATOM 159 CB CYS A 12 6.979 0.231 2.577 1.00 0.00 C ATOM 160 SG CYS A 12 8.231 1.064 3.588 1.00 0.00 S ATOM 0 H CYS A 12 6.743 -0.856 5.080 1.00 0.00 H new ATOM 0 HA CYS A 12 5.785 -1.539 2.363 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.356 0.158 1.557 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.090 0.861 2.545 1.00 0.00 H new ATOM 165 N PRO A 13 7.479 -3.466 3.255 1.00 0.00 N ATOM 166 CA PRO A 13 8.511 -4.489 3.180 1.00 0.00 C ATOM 167 C PRO A 13 8.865 -4.807 1.725 1.00 0.00 C ATOM 168 O PRO A 13 8.087 -4.533 0.809 1.00 0.00 O ATOM 169 CB PRO A 13 7.919 -5.710 3.887 1.00 0.00 C ATOM 170 CG PRO A 13 6.425 -5.565 3.605 1.00 0.00 C ATOM 171 CD PRO A 13 6.218 -4.053 3.683 1.00 0.00 C ATOM 0 HA PRO A 13 9.440 -4.164 3.649 1.00 0.00 H new ATOM 0 HB2 PRO A 13 8.318 -6.643 3.488 1.00 0.00 H new ATOM 0 HB3 PRO A 13 8.133 -5.703 4.956 1.00 0.00 H new ATOM 0 HG2 PRO A 13 6.157 -5.961 2.626 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.820 -6.096 4.340 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.398 -3.735 3.039 1.00 0.00 H new ATOM 0 HD3 PRO A 13 5.965 -3.743 4.697 1.00 0.00 H new ATOM 179 N CYS A 14 10.052 -5.393 1.527 1.00 0.00 N ATOM 180 CA CYS A 14 10.548 -5.805 0.226 1.00 0.00 C ATOM 181 C CYS A 14 11.018 -7.253 0.275 1.00 0.00 C ATOM 182 O CYS A 14 11.345 -7.774 1.340 1.00 0.00 O ATOM 183 CB CYS A 14 11.691 -4.885 -0.215 1.00 0.00 C ATOM 184 SG CYS A 14 11.390 -3.098 -0.085 1.00 0.00 S ATOM 0 H CYS A 14 10.701 -5.594 2.288 1.00 0.00 H new ATOM 0 HA CYS A 14 9.739 -5.730 -0.501 1.00 0.00 H new ATOM 0 HB2 CYS A 14 12.572 -5.127 0.380 1.00 0.00 H new ATOM 0 HB3 CYS A 14 11.933 -5.115 -1.252 1.00 0.00 H new ATOM 189 N THR A 15 11.052 -7.896 -0.896 1.00 0.00 N ATOM 190 CA THR A 15 11.529 -9.258 -1.048 1.00 0.00 C ATOM 191 C THR A 15 13.055 -9.302 -0.933 1.00 0.00 C ATOM 192 O THR A 15 13.721 -8.267 -0.898 1.00 0.00 O ATOM 193 CB THR A 15 11.061 -9.821 -2.399 1.00 0.00 C ATOM 194 OG1 THR A 15 11.596 -9.060 -3.460 1.00 0.00 O ATOM 195 CG2 THR A 15 9.534 -9.852 -2.507 1.00 0.00 C ATOM 0 H THR A 15 10.743 -7.473 -1.771 1.00 0.00 H new ATOM 0 HA THR A 15 11.115 -9.877 -0.252 1.00 0.00 H new ATOM 0 HB THR A 15 11.424 -10.847 -2.465 1.00 0.00 H new ATOM 0 HG1 THR A 15 12.044 -9.656 -4.097 1.00 0.00 H new ATOM 0 HG21 THR A 15 9.246 -10.257 -3.477 1.00 0.00 H new ATOM 0 HG22 THR A 15 9.126 -10.481 -1.716 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.141 -8.840 -2.405 1.00 0.00 H new ATOM 203 N ARG A 16 13.598 -10.523 -0.912 1.00 0.00 N ATOM 204 CA ARG A 16 15.030 -10.793 -0.877 1.00 0.00 C ATOM 205 C ARG A 16 15.543 -11.294 -2.231 1.00 0.00 C ATOM 206 O ARG A 16 16.678 -11.756 -2.332 1.00 0.00 O ATOM 207 CB ARG A 16 15.323 -11.809 0.229 1.00 0.00 C ATOM 208 CG ARG A 16 14.622 -13.159 0.030 1.00 0.00 C ATOM 209 CD ARG A 16 15.023 -14.137 1.138 1.00 0.00 C ATOM 210 NE ARG A 16 14.347 -15.430 0.967 1.00 0.00 N ATOM 211 CZ ARG A 16 14.532 -16.503 1.755 1.00 0.00 C ATOM 212 NH1 ARG A 16 15.403 -16.463 2.773 1.00 0.00 N ATOM 213 NH2 ARG A 16 13.837 -17.624 1.518 1.00 0.00 N ATOM 0 H ARG A 16 13.033 -11.372 -0.919 1.00 0.00 H new ATOM 0 HA ARG A 16 15.557 -9.863 -0.664 1.00 0.00 H new ATOM 0 HB2 ARG A 16 16.399 -11.973 0.283 1.00 0.00 H new ATOM 0 HB3 ARG A 16 15.016 -11.388 1.187 1.00 0.00 H new ATOM 0 HG2 ARG A 16 13.541 -13.019 0.034 1.00 0.00 H new ATOM 0 HG3 ARG A 16 14.886 -13.573 -0.943 1.00 0.00 H new ATOM 0 HD2 ARG A 16 16.103 -14.283 1.126 1.00 0.00 H new ATOM 0 HD3 ARG A 16 14.769 -13.715 2.110 1.00 0.00 H new ATOM 0 HE ARG A 16 13.689 -15.520 0.193 1.00 0.00 H new ATOM 0 HH11 ARG A 16 15.934 -15.612 2.957 1.00 0.00 H new ATOM 0 HH12 ARG A 16 15.535 -17.284 3.364 1.00 0.00 H new ATOM 0 HH21 ARG A 16 13.173 -17.659 0.744 1.00 0.00 H new ATOM 0 HH22 ARG A 16 13.972 -18.443 2.111 1.00 0.00 H new ATOM 227 N SER A 17 14.709 -11.205 -3.271 1.00 0.00 N ATOM 228 CA SER A 17 15.041 -11.615 -4.620 1.00 0.00 C ATOM 229 C SER A 17 16.001 -10.633 -5.288 1.00 0.00 C ATOM 230 O SER A 17 16.310 -9.568 -4.754 1.00 0.00 O ATOM 231 CB SER A 17 13.752 -11.771 -5.430 1.00 0.00 C ATOM 232 OG SER A 17 12.963 -10.601 -5.381 1.00 0.00 O ATOM 0 H SER A 17 13.762 -10.835 -3.186 1.00 0.00 H new ATOM 0 HA SER A 17 15.557 -12.574 -4.579 1.00 0.00 H new ATOM 0 HB2 SER A 17 13.998 -12.001 -6.466 1.00 0.00 H new ATOM 0 HB3 SER A 17 13.179 -12.614 -5.044 1.00 0.00 H new ATOM 0 HG SER A 17 13.324 -9.936 -6.004 1.00 0.00 H new ATOM 238 N ILE A 18 16.463 -11.034 -6.473 1.00 0.00 N ATOM 239 CA ILE A 18 17.423 -10.325 -7.299 1.00 0.00 C ATOM 240 C ILE A 18 16.853 -10.199 -8.720 1.00 0.00 C ATOM 241 O ILE A 18 16.905 -11.164 -9.478 1.00 0.00 O ATOM 242 CB ILE A 18 18.779 -11.061 -7.215 1.00 0.00 C ATOM 243 CG1 ILE A 18 19.872 -10.422 -8.089 1.00 0.00 C ATOM 244 CG2 ILE A 18 18.734 -12.572 -7.514 1.00 0.00 C ATOM 245 CD1 ILE A 18 20.123 -8.948 -7.762 1.00 0.00 C ATOM 0 H ILE A 18 16.157 -11.909 -6.899 1.00 0.00 H new ATOM 0 HA ILE A 18 17.602 -9.307 -6.951 1.00 0.00 H new ATOM 0 HB ILE A 18 19.032 -10.946 -6.161 1.00 0.00 H new ATOM 0 HG12 ILE A 18 20.801 -10.978 -7.962 1.00 0.00 H new ATOM 0 HG13 ILE A 18 19.588 -10.511 -9.137 1.00 0.00 H new ATOM 0 HG21 ILE A 18 19.737 -12.990 -7.428 1.00 0.00 H new ATOM 0 HG22 ILE A 18 18.073 -13.064 -6.801 1.00 0.00 H new ATOM 0 HG23 ILE A 18 18.360 -12.732 -8.525 1.00 0.00 H new ATOM 0 HD11 ILE A 18 20.905 -8.559 -8.414 1.00 0.00 H new ATOM 0 HD12 ILE A 18 19.206 -8.380 -7.916 1.00 0.00 H new ATOM 0 HD13 ILE A 18 20.438 -8.854 -6.723 1.00 0.00 H new ATOM 257 N PRO A 19 16.282 -9.044 -9.109 1.00 0.00 N ATOM 258 CA PRO A 19 16.128 -7.816 -8.333 1.00 0.00 C ATOM 259 C PRO A 19 15.071 -7.972 -7.232 1.00 0.00 C ATOM 260 O PRO A 19 14.209 -8.845 -7.335 1.00 0.00 O ATOM 261 CB PRO A 19 15.686 -6.757 -9.346 1.00 0.00 C ATOM 262 CG PRO A 19 14.946 -7.563 -10.412 1.00 0.00 C ATOM 263 CD PRO A 19 15.722 -8.878 -10.440 1.00 0.00 C ATOM 0 HA PRO A 19 17.056 -7.550 -7.827 1.00 0.00 H new ATOM 0 HB2 PRO A 19 15.038 -6.010 -8.887 1.00 0.00 H new ATOM 0 HB3 PRO A 19 16.539 -6.225 -9.767 1.00 0.00 H new ATOM 0 HG2 PRO A 19 13.899 -7.716 -10.149 1.00 0.00 H new ATOM 0 HG3 PRO A 19 14.962 -7.063 -11.381 1.00 0.00 H new ATOM 0 HD2 PRO A 19 15.067 -9.712 -10.694 1.00 0.00 H new ATOM 0 HD3 PRO A 19 16.509 -8.850 -11.193 1.00 0.00 H new ATOM 271 N PRO A 20 15.113 -7.133 -6.182 1.00 0.00 N ATOM 272 CA PRO A 20 14.099 -7.104 -5.144 1.00 0.00 C ATOM 273 C PRO A 20 12.895 -6.278 -5.603 1.00 0.00 C ATOM 274 O PRO A 20 13.045 -5.292 -6.325 1.00 0.00 O ATOM 275 CB PRO A 20 14.783 -6.474 -3.932 1.00 0.00 C ATOM 276 CG PRO A 20 15.779 -5.504 -4.566 1.00 0.00 C ATOM 277 CD PRO A 20 16.185 -6.200 -5.870 1.00 0.00 C ATOM 0 HA PRO A 20 13.716 -8.097 -4.908 1.00 0.00 H new ATOM 0 HB2 PRO A 20 14.070 -5.958 -3.289 1.00 0.00 H new ATOM 0 HB3 PRO A 20 15.283 -7.222 -3.317 1.00 0.00 H new ATOM 0 HG2 PRO A 20 15.325 -4.531 -4.756 1.00 0.00 H new ATOM 0 HG3 PRO A 20 16.639 -5.333 -3.919 1.00 0.00 H new ATOM 0 HD2 PRO A 20 16.317 -5.475 -6.674 1.00 0.00 H new ATOM 0 HD3 PRO A 20 17.134 -6.723 -5.753 1.00 0.00 H new ATOM 285 N GLN A 21 11.703 -6.694 -5.167 1.00 0.00 N ATOM 286 CA GLN A 21 10.432 -6.031 -5.394 1.00 0.00 C ATOM 287 C GLN A 21 9.939 -5.548 -4.033 1.00 0.00 C ATOM 288 O GLN A 21 9.919 -6.325 -3.080 1.00 0.00 O ATOM 289 CB GLN A 21 9.436 -7.029 -6.001 1.00 0.00 C ATOM 290 CG GLN A 21 9.602 -7.192 -7.520 1.00 0.00 C ATOM 291 CD GLN A 21 10.987 -7.688 -7.924 1.00 0.00 C ATOM 292 OE1 GLN A 21 11.706 -7.010 -8.654 1.00 0.00 O ATOM 293 NE2 GLN A 21 11.372 -8.870 -7.444 1.00 0.00 N ATOM 0 H GLN A 21 11.602 -7.548 -4.618 1.00 0.00 H new ATOM 0 HA GLN A 21 10.534 -5.194 -6.085 1.00 0.00 H new ATOM 0 HB2 GLN A 21 9.563 -7.999 -5.521 1.00 0.00 H new ATOM 0 HB3 GLN A 21 8.420 -6.697 -5.785 1.00 0.00 H new ATOM 0 HG2 GLN A 21 8.851 -7.891 -7.888 1.00 0.00 H new ATOM 0 HG3 GLN A 21 9.410 -6.235 -8.005 1.00 0.00 H new ATOM 0 HE21 GLN A 21 10.746 -9.404 -6.841 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.292 -9.241 -7.680 1.00 0.00 H new ATOM 302 N CYS A 22 9.522 -4.282 -3.948 1.00 0.00 N ATOM 303 CA CYS A 22 8.974 -3.692 -2.737 1.00 0.00 C ATOM 304 C CYS A 22 7.470 -3.552 -2.896 1.00 0.00 C ATOM 305 O CYS A 22 6.970 -3.317 -3.995 1.00 0.00 O ATOM 306 CB CYS A 22 9.618 -2.342 -2.449 1.00 0.00 C ATOM 307 SG CYS A 22 11.375 -2.395 -2.013 1.00 0.00 S ATOM 0 H CYS A 22 9.559 -3.633 -4.734 1.00 0.00 H new ATOM 0 HA CYS A 22 9.190 -4.341 -1.889 1.00 0.00 H new ATOM 0 HB2 CYS A 22 9.498 -1.707 -3.327 1.00 0.00 H new ATOM 0 HB3 CYS A 22 9.073 -1.865 -1.634 1.00 0.00 H new ATOM 312 N GLN A 23 6.754 -3.754 -1.790 1.00 0.00 N ATOM 313 CA GLN A 23 5.305 -3.848 -1.763 1.00 0.00 C ATOM 314 C GLN A 23 4.796 -3.196 -0.486 1.00 0.00 C ATOM 315 O GLN A 23 5.543 -3.063 0.480 1.00 0.00 O ATOM 316 CB GLN A 23 4.874 -5.321 -1.805 1.00 0.00 C ATOM 317 CG GLN A 23 5.363 -6.045 -3.064 1.00 0.00 C ATOM 318 CD GLN A 23 4.889 -7.494 -3.080 1.00 0.00 C ATOM 319 OE1 GLN A 23 3.895 -7.819 -3.724 1.00 0.00 O ATOM 320 NE2 GLN A 23 5.603 -8.371 -2.372 1.00 0.00 N ATOM 0 H GLN A 23 7.181 -3.858 -0.870 1.00 0.00 H new ATOM 0 HA GLN A 23 4.887 -3.338 -2.631 1.00 0.00 H new ATOM 0 HB2 GLN A 23 5.260 -5.833 -0.924 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.787 -5.379 -1.757 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.995 -5.529 -3.951 1.00 0.00 H new ATOM 0 HG3 GLN A 23 6.452 -6.014 -3.106 1.00 0.00 H new ATOM 0 HE21 GLN A 23 6.422 -8.059 -1.851 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.329 -9.353 -2.352 1.00 0.00 H new ATOM 329 N CYS A 24 3.514 -2.817 -0.482 1.00 0.00 N ATOM 330 CA CYS A 24 2.856 -2.215 0.664 1.00 0.00 C ATOM 331 C CYS A 24 1.900 -3.220 1.279 1.00 0.00 C ATOM 332 O CYS A 24 0.975 -3.684 0.615 1.00 0.00 O ATOM 333 CB CYS A 24 2.119 -0.947 0.243 1.00 0.00 C ATOM 334 SG CYS A 24 3.241 0.461 0.130 1.00 0.00 S ATOM 0 H CYS A 24 2.902 -2.925 -1.291 1.00 0.00 H new ATOM 0 HA CYS A 24 3.601 -1.937 1.409 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.637 -1.108 -0.721 1.00 0.00 H new ATOM 0 HB3 CYS A 24 1.329 -0.728 0.962 1.00 0.00 H new ATOM 339 N THR A 25 2.130 -3.524 2.560 1.00 0.00 N ATOM 340 CA THR A 25 1.281 -4.387 3.365 1.00 0.00 C ATOM 341 C THR A 25 0.510 -3.552 4.390 1.00 0.00 C ATOM 342 O THR A 25 0.069 -4.082 5.408 1.00 0.00 O ATOM 343 CB THR A 25 2.136 -5.468 4.038 1.00 0.00 C ATOM 344 OG1 THR A 25 3.063 -4.892 4.932 1.00 0.00 O ATOM 345 CG2 THR A 25 2.901 -6.289 2.999 1.00 0.00 C ATOM 0 H THR A 25 2.935 -3.164 3.073 1.00 0.00 H new ATOM 0 HA THR A 25 0.550 -4.885 2.729 1.00 0.00 H new ATOM 0 HB THR A 25 1.457 -6.120 4.587 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.596 -5.599 5.351 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.499 -7.048 3.503 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.194 -6.773 2.325 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.556 -5.632 2.427 1.00 0.00 H new ATOM 353 N ASP A 26 0.337 -2.252 4.119 1.00 0.00 N ATOM 354 CA ASP A 26 -0.543 -1.392 4.885 1.00 0.00 C ATOM 355 C ASP A 26 -1.985 -1.683 4.494 1.00 0.00 C ATOM 356 O ASP A 26 -2.280 -2.070 3.363 1.00 0.00 O ATOM 357 CB ASP A 26 -0.193 0.080 4.666 1.00 0.00 C ATOM 358 CG ASP A 26 -1.084 1.031 5.463 1.00 0.00 C ATOM 359 OD1 ASP A 26 -1.645 1.958 4.885 1.00 0.00 O ATOM 360 OD2 ASP A 26 -1.194 0.774 6.797 1.00 0.00 O ATOM 0 H ASP A 26 0.812 -1.774 3.354 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.416 -1.596 5.948 1.00 0.00 H new ATOM 0 HB2 ASP A 26 0.847 0.246 4.946 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -0.279 0.314 3.605 1.00 0.00 H new ATOM 366 N VAL A 27 -2.864 -1.508 5.478 1.00 0.00 N ATOM 367 CA VAL A 27 -4.276 -1.839 5.405 1.00 0.00 C ATOM 368 C VAL A 27 -5.046 -0.770 6.176 1.00 0.00 C ATOM 369 O VAL A 27 -4.704 -0.474 7.321 1.00 0.00 O ATOM 370 CB VAL A 27 -4.516 -3.245 5.984 1.00 0.00 C ATOM 371 CG1 VAL A 27 -6.006 -3.596 5.904 1.00 0.00 C ATOM 372 CG2 VAL A 27 -3.695 -4.309 5.240 1.00 0.00 C ATOM 0 H VAL A 27 -2.597 -1.116 6.381 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.622 -1.856 4.372 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.195 -3.236 7.025 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.168 -4.592 6.316 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -6.582 -2.869 6.476 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -6.329 -3.577 4.863 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.889 -5.289 5.676 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.978 -4.317 4.188 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.634 -4.077 5.328 1.00 0.00 H new ATOM 382 N ARG A 28 -6.055 -0.164 5.540 1.00 0.00 N ATOM 383 CA ARG A 28 -6.790 0.962 6.100 1.00 0.00 C ATOM 384 C ARG A 28 -8.083 1.173 5.307 1.00 0.00 C ATOM 385 O ARG A 28 -8.579 0.228 4.702 1.00 0.00 O ATOM 386 CB ARG A 28 -5.871 2.199 6.160 1.00 0.00 C ATOM 387 CG ARG A 28 -5.950 2.835 7.554 1.00 0.00 C ATOM 388 CD ARG A 28 -4.981 4.012 7.679 1.00 0.00 C ATOM 389 NE ARG A 28 -5.295 5.058 6.702 1.00 0.00 N ATOM 390 CZ ARG A 28 -6.305 5.936 6.806 1.00 0.00 C ATOM 391 NH1 ARG A 28 -7.055 6.009 7.915 1.00 0.00 N ATOM 392 NH2 ARG A 28 -6.575 6.743 5.775 1.00 0.00 N ATOM 0 H ARG A 28 -6.382 -0.447 4.616 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.095 0.763 7.127 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.843 1.911 5.939 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.170 2.923 5.402 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.968 3.176 7.744 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.718 2.087 8.312 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.032 4.424 8.687 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.959 3.664 7.528 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.699 5.124 5.877 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.863 5.389 8.702 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.817 6.684 7.972 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -6.016 6.687 4.923 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.340 7.415 5.840 1.00 0.00 H new ATOM 406 N GLU A 29 -8.643 2.390 5.320 1.00 0.00 N ATOM 407 CA GLU A 29 -9.861 2.735 4.604 1.00 0.00 C ATOM 408 C GLU A 29 -9.704 2.459 3.107 1.00 0.00 C ATOM 409 O GLU A 29 -10.157 1.424 2.622 1.00 0.00 O ATOM 410 CB GLU A 29 -10.207 4.196 4.933 1.00 0.00 C ATOM 411 CG GLU A 29 -11.433 4.731 4.187 1.00 0.00 C ATOM 412 CD GLU A 29 -12.649 3.816 4.307 1.00 0.00 C ATOM 413 OE1 GLU A 29 -13.118 3.306 3.293 1.00 0.00 O ATOM 414 OE2 GLU A 29 -13.134 3.626 5.568 1.00 0.00 O ATOM 0 H GLU A 29 -8.248 3.172 5.842 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.697 2.112 4.922 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.380 4.285 6.005 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.348 4.824 4.696 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.687 5.717 4.576 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.184 4.859 3.134 1.00 0.00 H new ATOM 422 N LYS A 30 -9.064 3.386 2.388 1.00 0.00 N ATOM 423 CA LYS A 30 -8.782 3.298 0.970 1.00 0.00 C ATOM 424 C LYS A 30 -7.279 3.253 0.694 1.00 0.00 C ATOM 425 O LYS A 30 -6.457 3.496 1.576 1.00 0.00 O ATOM 426 CB LYS A 30 -9.437 4.484 0.260 1.00 0.00 C ATOM 427 CG LYS A 30 -8.984 5.855 0.783 1.00 0.00 C ATOM 428 CD LYS A 30 -9.342 6.988 -0.188 1.00 0.00 C ATOM 429 CE LYS A 30 -10.853 7.205 -0.328 1.00 0.00 C ATOM 430 NZ LYS A 30 -11.146 8.379 -1.171 1.00 0.00 N ATOM 0 H LYS A 30 -8.718 4.250 2.805 1.00 0.00 H new ATOM 0 HA LYS A 30 -9.198 2.367 0.584 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.217 4.423 -0.806 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -10.519 4.406 0.367 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.449 6.046 1.750 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.906 5.843 0.945 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.878 7.913 0.155 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.921 6.765 -1.168 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -11.312 6.317 -0.763 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.297 7.342 0.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -12.176 8.502 -1.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.727 9.228 -0.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.742 8.235 -2.119 1.00 0.00 H new ATOM 444 N CYS A 31 -6.957 2.959 -0.568 1.00 0.00 N ATOM 445 CA CYS A 31 -5.623 2.897 -1.133 1.00 0.00 C ATOM 446 C CYS A 31 -5.252 4.205 -1.835 1.00 0.00 C ATOM 447 O CYS A 31 -6.123 5.003 -2.177 1.00 0.00 O ATOM 448 CB CYS A 31 -5.518 1.690 -2.070 1.00 0.00 C ATOM 449 SG CYS A 31 -6.917 1.303 -3.161 1.00 0.00 S ATOM 0 H CYS A 31 -7.674 2.745 -1.261 1.00 0.00 H new ATOM 0 HA CYS A 31 -4.902 2.767 -0.326 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -4.640 1.836 -2.699 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -5.326 0.811 -1.455 1.00 0.00 H new ATOM 454 N HIS A 32 -3.941 4.427 -2.009 1.00 0.00 N ATOM 455 CA HIS A 32 -3.382 5.693 -2.465 1.00 0.00 C ATOM 456 C HIS A 32 -3.286 5.803 -3.984 1.00 0.00 C ATOM 457 O HIS A 32 -3.514 4.843 -4.718 1.00 0.00 O ATOM 458 CB HIS A 32 -2.031 5.973 -1.796 1.00 0.00 C ATOM 459 CG HIS A 32 -0.926 4.984 -2.069 1.00 0.00 C ATOM 460 ND1 HIS A 32 0.068 5.194 -3.009 1.00 0.00 N ATOM 461 CD2 HIS A 32 -0.667 3.788 -1.456 1.00 0.00 C ATOM 462 CE1 HIS A 32 0.907 4.151 -2.914 1.00 0.00 C ATOM 463 NE2 HIS A 32 0.509 3.283 -1.973 1.00 0.00 N ATOM 0 H HIS A 32 -3.233 3.714 -1.832 1.00 0.00 H new ATOM 0 HA HIS A 32 -4.086 6.465 -2.156 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -1.692 6.959 -2.113 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -2.188 6.020 -0.718 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -1.278 3.320 -0.698 1.00 0.00 H new ATOM 0 HE1 HIS A 32 1.792 4.026 -3.520 1.00 0.00 H new ATOM 0 HE2 HIS A 32 0.980 2.422 -1.695 1.00 0.00 H new ATOM 472 N SER A 33 -2.929 7.015 -4.424 1.00 0.00 N ATOM 473 CA SER A 33 -2.818 7.421 -5.820 1.00 0.00 C ATOM 474 C SER A 33 -1.947 6.472 -6.646 1.00 0.00 C ATOM 475 O SER A 33 -2.268 6.185 -7.798 1.00 0.00 O ATOM 476 CB SER A 33 -2.288 8.857 -5.885 1.00 0.00 C ATOM 477 OG SER A 33 -2.082 9.266 -7.222 1.00 0.00 O ATOM 0 H SER A 33 -2.700 7.773 -3.781 1.00 0.00 H new ATOM 0 HA SER A 33 -3.812 7.375 -6.265 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.995 9.531 -5.401 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.351 8.927 -5.332 1.00 0.00 H new ATOM 0 HG SER A 33 -1.745 10.186 -7.234 1.00 0.00 H new ATOM 483 N ALA A 34 -0.849 5.998 -6.051 1.00 0.00 N ATOM 484 CA ALA A 34 0.160 5.185 -6.721 1.00 0.00 C ATOM 485 C ALA A 34 0.106 3.738 -6.232 1.00 0.00 C ATOM 486 O ALA A 34 1.143 3.121 -5.994 1.00 0.00 O ATOM 487 CB ALA A 34 1.542 5.804 -6.507 1.00 0.00 C ATOM 0 H ALA A 34 -0.636 6.175 -5.069 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.046 5.167 -7.791 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.295 5.195 -7.008 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.557 6.813 -6.920 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.761 5.846 -5.440 1.00 0.00 H new ATOM 493 N CYS A 35 -1.110 3.204 -6.090 1.00 0.00 N ATOM 494 CA CYS A 35 -1.369 1.811 -5.767 1.00 0.00 C ATOM 495 C CYS A 35 -2.257 1.235 -6.870 1.00 0.00 C ATOM 496 O CYS A 35 -3.353 1.737 -7.105 1.00 0.00 O ATOM 497 CB CYS A 35 -1.999 1.728 -4.376 1.00 0.00 C ATOM 498 SG CYS A 35 -2.414 0.073 -3.773 1.00 0.00 S ATOM 0 H CYS A 35 -1.963 3.752 -6.201 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.455 1.219 -5.729 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -1.314 2.189 -3.664 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.909 2.328 -4.377 1.00 0.00 H new ATOM 503 N LYS A 36 -1.763 0.200 -7.563 1.00 0.00 N ATOM 504 CA LYS A 36 -2.305 -0.293 -8.822 1.00 0.00 C ATOM 505 C LYS A 36 -3.120 -1.560 -8.584 1.00 0.00 C ATOM 506 O LYS A 36 -4.200 -1.718 -9.149 1.00 0.00 O ATOM 507 CB LYS A 36 -1.141 -0.621 -9.765 1.00 0.00 C ATOM 508 CG LYS A 36 -0.323 0.614 -10.162 1.00 0.00 C ATOM 509 CD LYS A 36 0.763 0.216 -11.171 1.00 0.00 C ATOM 510 CE LYS A 36 1.629 1.424 -11.543 1.00 0.00 C ATOM 511 NZ LYS A 36 2.656 1.074 -12.542 1.00 0.00 N ATOM 0 H LYS A 36 -0.950 -0.329 -7.247 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.949 0.469 -9.260 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.484 -1.345 -9.284 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.533 -1.095 -10.665 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.977 1.370 -10.597 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.134 1.058 -9.278 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.389 -0.569 -10.747 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.299 -0.195 -12.068 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.995 2.219 -11.936 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.111 1.815 -10.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.222 1.917 -12.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.277 0.334 -12.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.195 0.724 -13.406 1.00 0.00 H new ATOM 525 N SER A 37 -2.609 -2.431 -7.711 1.00 0.00 N ATOM 526 CA SER A 37 -3.327 -3.586 -7.202 1.00 0.00 C ATOM 527 C SER A 37 -3.756 -3.240 -5.784 1.00 0.00 C ATOM 528 O SER A 37 -2.925 -2.946 -4.926 1.00 0.00 O ATOM 529 CB SER A 37 -2.438 -4.830 -7.219 1.00 0.00 C ATOM 530 OG SER A 37 -3.152 -5.950 -6.738 1.00 0.00 O ATOM 0 H SER A 37 -1.665 -2.345 -7.335 1.00 0.00 H new ATOM 0 HA SER A 37 -4.193 -3.814 -7.824 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.088 -5.021 -8.233 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.554 -4.662 -6.604 1.00 0.00 H new ATOM 0 HG SER A 37 -2.572 -6.740 -6.756 1.00 0.00 H new ATOM 536 N CYS A 38 -5.072 -3.233 -5.581 1.00 0.00 N ATOM 537 CA CYS A 38 -5.741 -2.849 -4.353 1.00 0.00 C ATOM 538 C CYS A 38 -6.967 -3.738 -4.208 1.00 0.00 C ATOM 539 O CYS A 38 -7.693 -3.944 -5.180 1.00 0.00 O ATOM 540 CB CYS A 38 -6.118 -1.369 -4.431 1.00 0.00 C ATOM 541 SG CYS A 38 -7.073 -0.741 -3.028 1.00 0.00 S ATOM 0 H CYS A 38 -5.729 -3.510 -6.310 1.00 0.00 H new ATOM 0 HA CYS A 38 -5.099 -2.978 -3.482 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -5.204 -0.782 -4.519 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.692 -1.204 -5.343 1.00 0.00 H new ATOM 546 N LEU A 39 -7.169 -4.300 -3.012 1.00 0.00 N ATOM 547 CA LEU A 39 -8.212 -5.296 -2.783 1.00 0.00 C ATOM 548 C LEU A 39 -8.639 -5.270 -1.322 1.00 0.00 C ATOM 549 O LEU A 39 -7.805 -5.093 -0.434 1.00 0.00 O ATOM 550 CB LEU A 39 -7.718 -6.686 -3.217 1.00 0.00 C ATOM 551 CG LEU A 39 -8.850 -7.716 -3.393 1.00 0.00 C ATOM 552 CD1 LEU A 39 -8.540 -8.632 -4.583 1.00 0.00 C ATOM 553 CD2 LEU A 39 -9.031 -8.587 -2.145 1.00 0.00 C ATOM 0 H LEU A 39 -6.617 -4.077 -2.184 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.088 -5.058 -3.387 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.174 -6.592 -4.157 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.011 -7.059 -2.476 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.770 -7.157 -3.564 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.344 -9.358 -4.702 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.454 -8.034 -5.490 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.601 -9.156 -4.404 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.839 -9.299 -2.312 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.107 -9.128 -1.942 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.276 -7.954 -1.292 1.00 0.00 H new ATOM 565 N CYS A 40 -9.949 -5.416 -1.096 1.00 0.00 N ATOM 566 CA CYS A 40 -10.590 -5.209 0.195 1.00 0.00 C ATOM 567 C CYS A 40 -11.260 -6.487 0.693 1.00 0.00 C ATOM 568 O CYS A 40 -11.538 -7.383 -0.102 1.00 0.00 O ATOM 569 CB CYS A 40 -11.608 -4.058 0.103 1.00 0.00 C ATOM 570 SG CYS A 40 -11.274 -2.647 -1.003 1.00 0.00 S ATOM 0 H CYS A 40 -10.604 -5.689 -1.829 1.00 0.00 H new ATOM 0 HA CYS A 40 -9.820 -4.939 0.918 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -12.562 -4.490 -0.198 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -11.742 -3.660 1.109 1.00 0.00 H new ATOM 575 N THR A 41 -11.517 -6.577 2.007 1.00 0.00 N ATOM 576 CA THR A 41 -12.156 -7.761 2.572 1.00 0.00 C ATOM 577 C THR A 41 -13.663 -7.717 2.314 1.00 0.00 C ATOM 578 O THR A 41 -14.261 -6.643 2.257 1.00 0.00 O ATOM 579 CB THR A 41 -11.807 -7.931 4.058 1.00 0.00 C ATOM 580 OG1 THR A 41 -12.191 -9.221 4.487 1.00 0.00 O ATOM 581 CG2 THR A 41 -12.481 -6.894 4.954 1.00 0.00 C ATOM 0 H THR A 41 -11.293 -5.850 2.686 1.00 0.00 H new ATOM 0 HA THR A 41 -11.767 -8.648 2.072 1.00 0.00 H new ATOM 0 HB THR A 41 -10.730 -7.790 4.146 1.00 0.00 H new ATOM 0 HG1 THR A 41 -11.967 -9.331 5.435 1.00 0.00 H new ATOM 0 HG21 THR A 41 -12.194 -7.068 5.991 1.00 0.00 H new ATOM 0 HG22 THR A 41 -12.167 -5.894 4.654 1.00 0.00 H new ATOM 0 HG23 THR A 41 -13.563 -6.978 4.858 1.00 0.00 H new ATOM 589 N ARG A 42 -14.268 -8.897 2.150 1.00 0.00 N ATOM 590 CA ARG A 42 -15.670 -9.072 1.807 1.00 0.00 C ATOM 591 C ARG A 42 -16.512 -9.251 3.073 1.00 0.00 C ATOM 592 O ARG A 42 -17.410 -10.091 3.112 1.00 0.00 O ATOM 593 CB ARG A 42 -15.800 -10.249 0.826 1.00 0.00 C ATOM 594 CG ARG A 42 -15.248 -11.572 1.371 1.00 0.00 C ATOM 595 CD ARG A 42 -15.529 -12.723 0.400 1.00 0.00 C ATOM 596 NE ARG A 42 -15.123 -14.017 0.967 1.00 0.00 N ATOM 597 CZ ARG A 42 -13.861 -14.470 1.065 1.00 0.00 C ATOM 598 NH1 ARG A 42 -12.830 -13.746 0.607 1.00 0.00 N ATOM 599 NH2 ARG A 42 -13.631 -15.663 1.630 1.00 0.00 N ATOM 0 H ARG A 42 -13.773 -9.782 2.257 1.00 0.00 H new ATOM 0 HA ARG A 42 -16.055 -8.181 1.310 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -16.851 -10.382 0.570 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -15.276 -10.000 -0.097 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -14.174 -11.483 1.534 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -15.701 -11.788 2.339 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -16.592 -12.747 0.160 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -14.995 -12.551 -0.535 1.00 0.00 H new ATOM 0 HE ARG A 42 -15.864 -14.625 1.317 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.997 -12.837 0.176 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.879 -14.104 0.689 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -14.410 -16.220 1.981 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.677 -16.015 1.709 1.00 0.00 H new ATOM 613 N SER A 43 -16.214 -8.472 4.120 1.00 0.00 N ATOM 614 CA SER A 43 -16.842 -8.610 5.421 1.00 0.00 C ATOM 615 C SER A 43 -16.607 -7.351 6.252 1.00 0.00 C ATOM 616 O SER A 43 -16.286 -6.288 5.724 1.00 0.00 O ATOM 617 CB SER A 43 -16.294 -9.866 6.121 1.00 0.00 C ATOM 618 OG SER A 43 -17.054 -10.226 7.258 1.00 0.00 O ATOM 0 H SER A 43 -15.522 -7.724 4.078 1.00 0.00 H new ATOM 0 HA SER A 43 -17.919 -8.728 5.304 1.00 0.00 H new ATOM 0 HB2 SER A 43 -16.285 -10.697 5.416 1.00 0.00 H new ATOM 0 HB3 SER A 43 -15.260 -9.690 6.419 1.00 0.00 H new ATOM 0 HG SER A 43 -16.474 -10.241 8.048 1.00 0.00 H new ATOM 624 N PHE A 44 -16.776 -7.506 7.565 1.00 0.00 N ATOM 625 CA PHE A 44 -16.688 -6.486 8.580 1.00 0.00 C ATOM 626 C PHE A 44 -15.397 -6.701 9.381 1.00 0.00 C ATOM 627 O PHE A 44 -15.136 -7.827 9.804 1.00 0.00 O ATOM 628 CB PHE A 44 -17.928 -6.587 9.480 1.00 0.00 C ATOM 629 CG PHE A 44 -18.482 -7.983 9.722 1.00 0.00 C ATOM 630 CD1 PHE A 44 -17.979 -8.781 10.767 1.00 0.00 C ATOM 631 CD2 PHE A 44 -19.505 -8.484 8.894 1.00 0.00 C ATOM 632 CE1 PHE A 44 -18.487 -10.075 10.974 1.00 0.00 C ATOM 633 CE2 PHE A 44 -20.019 -9.775 9.107 1.00 0.00 C ATOM 634 CZ PHE A 44 -19.509 -10.572 10.147 1.00 0.00 C ATOM 0 H PHE A 44 -16.993 -8.419 7.964 1.00 0.00 H new ATOM 0 HA PHE A 44 -16.658 -5.490 8.139 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -17.685 -6.145 10.446 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -18.718 -5.978 9.041 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -17.201 -8.398 11.411 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -19.896 -7.874 8.093 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -18.091 -10.689 11.770 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -20.806 -10.155 8.472 1.00 0.00 H new ATOM 0 HZ PHE A 44 -19.902 -11.565 10.310 1.00 0.00 H new ATOM 644 N PRO A 45 -14.581 -5.658 9.608 1.00 0.00 N ATOM 645 CA PRO A 45 -14.735 -4.308 9.085 1.00 0.00 C ATOM 646 C PRO A 45 -14.378 -4.299 7.591 1.00 0.00 C ATOM 647 O PRO A 45 -13.496 -5.051 7.179 1.00 0.00 O ATOM 648 CB PRO A 45 -13.751 -3.458 9.892 1.00 0.00 C ATOM 649 CG PRO A 45 -12.625 -4.440 10.214 1.00 0.00 C ATOM 650 CD PRO A 45 -13.365 -5.765 10.397 1.00 0.00 C ATOM 0 HA PRO A 45 -15.753 -3.928 9.174 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -13.390 -2.605 9.317 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -14.210 -3.061 10.797 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -11.894 -4.494 9.407 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -12.084 -4.152 11.115 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -12.754 -6.603 10.060 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -13.596 -5.941 11.448 1.00 0.00 H new ATOM 658 N PRO A 46 -15.040 -3.472 6.766 1.00 0.00 N ATOM 659 CA PRO A 46 -14.741 -3.358 5.347 1.00 0.00 C ATOM 660 C PRO A 46 -13.482 -2.504 5.171 1.00 0.00 C ATOM 661 O PRO A 46 -13.558 -1.297 4.947 1.00 0.00 O ATOM 662 CB PRO A 46 -15.980 -2.705 4.739 1.00 0.00 C ATOM 663 CG PRO A 46 -16.500 -1.813 5.868 1.00 0.00 C ATOM 664 CD PRO A 46 -16.154 -2.608 7.128 1.00 0.00 C ATOM 0 HA PRO A 46 -14.536 -4.312 4.861 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -15.733 -2.125 3.850 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -16.720 -3.447 4.440 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -16.018 -0.835 5.863 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -17.573 -1.640 5.783 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -15.881 -1.942 7.946 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -17.008 -3.194 7.466 1.00 0.00 H new ATOM 672 N GLN A 47 -12.320 -3.152 5.285 1.00 0.00 N ATOM 673 CA GLN A 47 -11.009 -2.546 5.203 1.00 0.00 C ATOM 674 C GLN A 47 -10.375 -2.940 3.874 1.00 0.00 C ATOM 675 O GLN A 47 -10.606 -4.050 3.387 1.00 0.00 O ATOM 676 CB GLN A 47 -10.158 -3.012 6.391 1.00 0.00 C ATOM 677 CG GLN A 47 -10.033 -4.539 6.531 1.00 0.00 C ATOM 678 CD GLN A 47 -8.965 -4.959 7.539 1.00 0.00 C ATOM 679 OE1 GLN A 47 -8.183 -5.866 7.266 1.00 0.00 O ATOM 680 NE2 GLN A 47 -8.925 -4.316 8.707 1.00 0.00 N ATOM 0 H GLN A 47 -12.277 -4.159 5.444 1.00 0.00 H new ATOM 0 HA GLN A 47 -11.080 -1.459 5.248 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -9.159 -2.586 6.294 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -10.588 -2.610 7.309 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -10.995 -4.951 6.836 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -9.796 -4.970 5.558 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -9.590 -3.567 8.900 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -8.229 -4.573 9.407 1.00 0.00 H new ATOM 689 N CYS A 48 -9.585 -2.027 3.297 1.00 0.00 N ATOM 690 CA CYS A 48 -8.896 -2.251 2.040 1.00 0.00 C ATOM 691 C CYS A 48 -7.385 -2.236 2.195 1.00 0.00 C ATOM 692 O CYS A 48 -6.835 -1.542 3.048 1.00 0.00 O ATOM 693 CB CYS A 48 -9.368 -1.293 0.951 1.00 0.00 C ATOM 694 SG CYS A 48 -9.334 -2.057 -0.686 1.00 0.00 S ATOM 0 H CYS A 48 -9.410 -1.107 3.700 1.00 0.00 H new ATOM 0 HA CYS A 48 -9.163 -3.257 1.717 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -10.382 -0.961 1.175 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -8.735 -0.406 0.950 1.00 0.00 H new ATOM 699 N ARG A 49 -6.741 -3.039 1.348 1.00 0.00 N ATOM 700 CA ARG A 49 -5.312 -3.298 1.338 1.00 0.00 C ATOM 701 C ARG A 49 -4.734 -2.864 -0.005 1.00 0.00 C ATOM 702 O ARG A 49 -5.448 -2.861 -1.009 1.00 0.00 O ATOM 703 CB ARG A 49 -5.040 -4.796 1.510 1.00 0.00 C ATOM 704 CG ARG A 49 -5.941 -5.497 2.532 1.00 0.00 C ATOM 705 CD ARG A 49 -5.417 -6.905 2.828 1.00 0.00 C ATOM 706 NE ARG A 49 -5.073 -7.653 1.608 1.00 0.00 N ATOM 707 CZ ARG A 49 -5.939 -8.117 0.692 1.00 0.00 C ATOM 708 NH1 ARG A 49 -7.261 -7.964 0.851 1.00 0.00 N ATOM 709 NH2 ARG A 49 -5.467 -8.741 -0.397 1.00 0.00 N ATOM 0 H ARG A 49 -7.233 -3.550 0.615 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.852 -2.744 2.157 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.159 -5.286 0.544 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.001 -4.931 1.809 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.979 -4.915 3.453 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -6.960 -5.554 2.149 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.536 -6.833 3.466 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -6.171 -7.458 3.388 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.083 -7.836 1.442 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -7.624 -7.489 1.678 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -7.904 -8.323 0.145 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.462 -8.858 -0.522 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -6.113 -9.098 -1.100 1.00 0.00 H new ATOM 723 N CYS A 50 -3.428 -2.576 -0.029 1.00 0.00 N ATOM 724 CA CYS A 50 -2.646 -2.449 -1.248 1.00 0.00 C ATOM 725 C CYS A 50 -1.862 -3.738 -1.482 1.00 0.00 C ATOM 726 O CYS A 50 -1.651 -4.526 -0.561 1.00 0.00 O ATOM 727 CB CYS A 50 -1.697 -1.250 -1.127 1.00 0.00 C ATOM 728 SG CYS A 50 -2.405 0.301 -1.729 1.00 0.00 S ATOM 0 H CYS A 50 -2.881 -2.423 0.818 1.00 0.00 H new ATOM 0 HA CYS A 50 -3.307 -2.282 -2.098 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -1.412 -1.128 -0.082 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -0.784 -1.463 -1.684 1.00 0.00 H new ATOM 733 N TYR A 51 -1.434 -3.937 -2.732 1.00 0.00 N ATOM 734 CA TYR A 51 -0.591 -5.051 -3.143 1.00 0.00 C ATOM 735 C TYR A 51 0.216 -4.657 -4.390 1.00 0.00 C ATOM 736 O TYR A 51 0.566 -5.511 -5.204 1.00 0.00 O ATOM 737 CB TYR A 51 -1.483 -6.282 -3.398 1.00 0.00 C ATOM 738 CG TYR A 51 -0.911 -7.649 -3.057 1.00 0.00 C ATOM 739 CD1 TYR A 51 0.476 -7.884 -2.971 1.00 0.00 C ATOM 740 CD2 TYR A 51 -1.807 -8.708 -2.818 1.00 0.00 C ATOM 741 CE1 TYR A 51 0.955 -9.149 -2.592 1.00 0.00 C ATOM 742 CE2 TYR A 51 -1.328 -9.979 -2.460 1.00 0.00 C ATOM 743 CZ TYR A 51 0.055 -10.197 -2.336 1.00 0.00 C ATOM 744 OH TYR A 51 0.515 -11.427 -1.967 1.00 0.00 O ATOM 0 H TYR A 51 -1.673 -3.310 -3.500 1.00 0.00 H new ATOM 0 HA TYR A 51 0.123 -5.303 -2.359 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.405 -6.152 -2.830 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.756 -6.286 -4.453 1.00 0.00 H new ATOM 0 HD1 TYR A 51 1.172 -7.090 -3.197 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.870 -8.542 -2.911 1.00 0.00 H new ATOM 0 HE1 TYR A 51 2.018 -9.316 -2.497 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.021 -10.787 -2.280 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.243 -12.032 -1.829 1.00 0.00 H new ATOM 754 N ASP A 52 0.493 -3.356 -4.557 1.00 0.00 N ATOM 755 CA ASP A 52 1.185 -2.817 -5.721 1.00 0.00 C ATOM 756 C ASP A 52 2.672 -3.173 -5.674 1.00 0.00 C ATOM 757 O ASP A 52 3.222 -3.366 -4.591 1.00 0.00 O ATOM 758 CB ASP A 52 0.958 -1.301 -5.798 1.00 0.00 C ATOM 759 CG ASP A 52 1.665 -0.524 -4.688 1.00 0.00 C ATOM 760 OD1 ASP A 52 2.562 0.262 -4.977 1.00 0.00 O ATOM 761 OD2 ASP A 52 1.225 -0.755 -3.418 1.00 0.00 O ATOM 0 H ASP A 52 0.236 -2.644 -3.873 1.00 0.00 H new ATOM 0 HA ASP A 52 0.778 -3.265 -6.628 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.307 -0.938 -6.765 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.112 -1.098 -5.748 1.00 0.00 H new ATOM 767 N ILE A 53 3.311 -3.257 -6.849 1.00 0.00 N ATOM 768 CA ILE A 53 4.703 -3.665 -6.988 1.00 0.00 C ATOM 769 C ILE A 53 5.542 -2.435 -7.318 1.00 0.00 C ATOM 770 O ILE A 53 5.182 -1.651 -8.196 1.00 0.00 O ATOM 771 CB ILE A 53 4.871 -4.727 -8.092 1.00 0.00 C ATOM 772 CG1 ILE A 53 3.835 -5.862 -8.012 1.00 0.00 C ATOM 773 CG2 ILE A 53 6.304 -5.290 -8.063 1.00 0.00 C ATOM 774 CD1 ILE A 53 3.832 -6.601 -6.672 1.00 0.00 C ATOM 0 H ILE A 53 2.863 -3.039 -7.739 1.00 0.00 H new ATOM 0 HA ILE A 53 5.035 -4.110 -6.050 1.00 0.00 H new ATOM 0 HB ILE A 53 4.692 -4.226 -9.044 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.842 -5.449 -8.191 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.031 -6.577 -8.811 1.00 0.00 H new ATOM 0 HG21 ILE A 53 6.416 -6.040 -8.846 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.016 -4.482 -8.230 1.00 0.00 H new ATOM 0 HG23 ILE A 53 6.496 -5.747 -7.092 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.076 -7.386 -6.691 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.812 -7.045 -6.499 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.605 -5.899 -5.870 1.00 0.00 H new ATOM 786 N THR A 54 6.658 -2.282 -6.602 1.00 0.00 N ATOM 787 CA THR A 54 7.608 -1.192 -6.745 1.00 0.00 C ATOM 788 C THR A 54 9.015 -1.749 -6.512 1.00 0.00 C ATOM 789 O THR A 54 9.206 -2.965 -6.507 1.00 0.00 O ATOM 790 CB THR A 54 7.262 -0.072 -5.747 1.00 0.00 C ATOM 791 OG1 THR A 54 7.437 -0.530 -4.424 1.00 0.00 O ATOM 792 CG2 THR A 54 5.829 0.438 -5.896 1.00 0.00 C ATOM 0 H THR A 54 6.930 -2.946 -5.877 1.00 0.00 H new ATOM 0 HA THR A 54 7.563 -0.762 -7.746 1.00 0.00 H new ATOM 0 HB THR A 54 7.939 0.754 -5.968 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.363 -1.507 -4.403 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.645 1.226 -5.166 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.687 0.835 -6.901 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.131 -0.382 -5.728 1.00 0.00 H new ATOM 800 N ASP A 55 9.994 -0.862 -6.299 1.00 0.00 N ATOM 801 CA ASP A 55 11.353 -1.218 -5.897 1.00 0.00 C ATOM 802 C ASP A 55 11.838 -0.304 -4.765 1.00 0.00 C ATOM 803 O ASP A 55 13.038 -0.176 -4.531 1.00 0.00 O ATOM 804 CB ASP A 55 12.252 -1.095 -7.131 1.00 0.00 C ATOM 805 CG ASP A 55 13.480 -2.006 -7.115 1.00 0.00 C ATOM 806 OD1 ASP A 55 14.079 -2.212 -8.168 1.00 0.00 O ATOM 807 OD2 ASP A 55 13.833 -2.556 -5.920 1.00 0.00 O ATOM 0 H ASP A 55 9.857 0.143 -6.404 1.00 0.00 H new ATOM 0 HA ASP A 55 11.383 -2.239 -5.517 1.00 0.00 H new ATOM 0 HB2 ASP A 55 11.661 -1.319 -8.019 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.584 -0.061 -7.221 1.00 0.00 H new ATOM 813 N PHE A 56 10.899 0.358 -4.084 1.00 0.00 N ATOM 814 CA PHE A 56 11.150 1.368 -3.072 1.00 0.00 C ATOM 815 C PHE A 56 9.951 1.480 -2.128 1.00 0.00 C ATOM 816 O PHE A 56 8.943 0.799 -2.304 1.00 0.00 O ATOM 817 CB PHE A 56 11.428 2.697 -3.781 1.00 0.00 C ATOM 818 CG PHE A 56 10.452 3.018 -4.898 1.00 0.00 C ATOM 819 CD1 PHE A 56 9.199 3.579 -4.594 1.00 0.00 C ATOM 820 CD2 PHE A 56 10.781 2.723 -6.236 1.00 0.00 C ATOM 821 CE1 PHE A 56 8.269 3.817 -5.619 1.00 0.00 C ATOM 822 CE2 PHE A 56 9.846 2.955 -7.259 1.00 0.00 C ATOM 823 CZ PHE A 56 8.588 3.502 -6.950 1.00 0.00 C ATOM 0 H PHE A 56 9.904 0.192 -4.235 1.00 0.00 H new ATOM 0 HA PHE A 56 12.014 1.095 -2.466 1.00 0.00 H new ATOM 0 HB2 PHE A 56 11.400 3.502 -3.046 1.00 0.00 H new ATOM 0 HB3 PHE A 56 12.438 2.674 -4.191 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.952 3.827 -3.572 1.00 0.00 H new ATOM 0 HD2 PHE A 56 11.753 2.318 -6.476 1.00 0.00 H new ATOM 0 HE1 PHE A 56 7.305 4.244 -5.383 1.00 0.00 H new ATOM 0 HE2 PHE A 56 10.093 2.713 -8.282 1.00 0.00 H new ATOM 0 HZ PHE A 56 7.868 3.680 -7.735 1.00 0.00 H new ATOM 833 N CYS A 57 10.074 2.362 -1.130 1.00 0.00 N ATOM 834 CA CYS A 57 9.043 2.648 -0.139 1.00 0.00 C ATOM 835 C CYS A 57 8.495 4.061 -0.348 1.00 0.00 C ATOM 836 O CYS A 57 9.224 4.958 -0.768 1.00 0.00 O ATOM 837 CB CYS A 57 9.634 2.501 1.267 1.00 0.00 C ATOM 838 SG CYS A 57 8.495 2.857 2.634 1.00 0.00 S ATOM 0 H CYS A 57 10.922 2.911 -0.990 1.00 0.00 H new ATOM 0 HA CYS A 57 8.221 1.941 -0.253 1.00 0.00 H new ATOM 0 HB2 CYS A 57 10.005 1.482 1.382 1.00 0.00 H new ATOM 0 HB3 CYS A 57 10.494 3.165 1.352 1.00 0.00 H new ATOM 843 N TYR A 58 7.209 4.245 -0.032 1.00 0.00 N ATOM 844 CA TYR A 58 6.526 5.529 0.006 1.00 0.00 C ATOM 845 C TYR A 58 6.490 6.028 1.460 1.00 0.00 C ATOM 846 O TYR A 58 6.500 5.209 2.377 1.00 0.00 O ATOM 847 CB TYR A 58 5.108 5.327 -0.539 1.00 0.00 C ATOM 848 CG TYR A 58 5.009 5.076 -2.030 1.00 0.00 C ATOM 849 CD1 TYR A 58 5.312 6.110 -2.935 1.00 0.00 C ATOM 850 CD2 TYR A 58 4.584 3.825 -2.516 1.00 0.00 C ATOM 851 CE1 TYR A 58 5.146 5.911 -4.316 1.00 0.00 C ATOM 852 CE2 TYR A 58 4.416 3.626 -3.898 1.00 0.00 C ATOM 853 CZ TYR A 58 4.696 4.669 -4.798 1.00 0.00 C ATOM 854 OH TYR A 58 4.543 4.468 -6.138 1.00 0.00 O ATOM 0 H TYR A 58 6.596 3.467 0.213 1.00 0.00 H new ATOM 0 HA TYR A 58 7.042 6.272 -0.601 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.654 4.485 -0.016 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.516 6.210 -0.297 1.00 0.00 H new ATOM 0 HD1 TYR A 58 5.673 7.059 -2.567 1.00 0.00 H new ATOM 0 HD2 TYR A 58 4.387 3.017 -1.827 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.364 6.712 -5.007 1.00 0.00 H new ATOM 0 HE2 TYR A 58 4.072 2.672 -4.268 1.00 0.00 H new ATOM 0 HH TYR A 58 4.226 3.555 -6.298 1.00 0.00 H new ATOM 864 N PRO A 59 6.450 7.351 1.703 1.00 0.00 N ATOM 865 CA PRO A 59 6.487 7.919 3.048 1.00 0.00 C ATOM 866 C PRO A 59 5.249 7.528 3.863 1.00 0.00 C ATOM 867 O PRO A 59 4.257 7.069 3.301 1.00 0.00 O ATOM 868 CB PRO A 59 6.586 9.435 2.845 1.00 0.00 C ATOM 869 CG PRO A 59 5.930 9.651 1.482 1.00 0.00 C ATOM 870 CD PRO A 59 6.365 8.408 0.708 1.00 0.00 C ATOM 0 HA PRO A 59 7.332 7.539 3.622 1.00 0.00 H new ATOM 0 HB2 PRO A 59 6.066 9.981 3.632 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.622 9.775 2.851 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.845 9.722 1.560 1.00 0.00 H new ATOM 0 HG3 PRO A 59 6.276 10.568 1.005 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.646 8.158 -0.072 1.00 0.00 H new ATOM 0 HD3 PRO A 59 7.326 8.565 0.217 1.00 0.00 H new ATOM 878 N SER A 60 5.311 7.693 5.191 1.00 0.00 N ATOM 879 CA SER A 60 4.260 7.290 6.111 1.00 0.00 C ATOM 880 C SER A 60 2.916 7.941 5.787 1.00 0.00 C ATOM 881 O SER A 60 2.851 9.117 5.431 1.00 0.00 O ATOM 882 CB SER A 60 4.682 7.561 7.555 1.00 0.00 C ATOM 883 OG SER A 60 5.524 8.692 7.651 1.00 0.00 O ATOM 0 H SER A 60 6.112 8.119 5.657 1.00 0.00 H new ATOM 0 HA SER A 60 4.114 6.217 5.989 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.795 7.714 8.170 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.199 6.688 7.953 1.00 0.00 H new ATOM 0 HG SER A 60 5.773 8.836 8.588 1.00 0.00 H new ATOM 889 N CYS A 61 1.855 7.136 5.902 1.00 0.00 N ATOM 890 CA CYS A 61 0.495 7.499 5.508 1.00 0.00 C ATOM 891 C CYS A 61 -0.349 7.941 6.700 1.00 0.00 C ATOM 892 O CYS A 61 0.129 8.007 7.832 1.00 0.00 O ATOM 893 CB CYS A 61 -0.161 6.313 4.772 1.00 0.00 C ATOM 894 SG CYS A 61 -1.106 6.608 3.242 1.00 0.00 S ATOM 0 H CYS A 61 1.922 6.191 6.281 1.00 0.00 H new ATOM 0 HA CYS A 61 0.551 8.354 4.834 1.00 0.00 H new ATOM 0 HB2 CYS A 61 0.629 5.601 4.534 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -0.831 5.822 5.478 1.00 0.00 H new ATOM 899 N SER A 62 -1.619 8.239 6.412 1.00 0.00 N ATOM 900 CA SER A 62 -2.630 8.606 7.389 1.00 0.00 C ATOM 901 C SER A 62 -3.226 7.360 8.054 1.00 0.00 C ATOM 902 O SER A 62 -4.160 7.542 8.864 1.00 0.00 O ATOM 903 CB SER A 62 -3.701 9.443 6.678 1.00 0.00 C ATOM 904 OG SER A 62 -4.268 8.726 5.598 1.00 0.00 O ATOM 905 OXT SER A 62 -2.750 6.243 7.745 1.00 0.00 O ATOM 0 H SER A 62 -1.977 8.229 5.457 1.00 0.00 H new ATOM 0 HA SER A 62 -2.184 9.198 8.189 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.482 9.719 7.386 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.260 10.370 6.312 1.00 0.00 H new ATOM 0 HG SER A 62 -4.949 9.278 5.161 1.00 0.00 H new TER 911 SER A 62