USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 587 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 72 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 74 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 37 THR OG1 : rot -140:sc= 0.191 USER MOD Set 2.2: A 40 THR OG1 : rot 80:sc= 1.77 USER MOD Set 2.3: A 41 ASN : amide:sc= -2.23! C(o=-0.27!,f=-4.1!) USER MOD Set 3.1: A 23 GLN : amide:sc= -1.22 K(o=-7.7,f=-19!) USER MOD Set 3.2: A 28 GLN : amide:sc= -1.54 K(o=-7.7,f=-16!) USER MOD Set 3.3: A 31 HIS : no HD1:sc= -2.35! C(o=-7.7!,f=-10!) USER MOD Set 3.4: A 33 HIS : +bothHN:sc= -2.61 K(o=-7.7,f=-14!) USER MOD Set 4.1: A 16 THR OG1 : rot 175:sc= 0.761 USER MOD Set 4.2: A 18 THR OG1 : rot -36:sc= 1.55 USER MOD Set 4.3: A 20 THR OG1 : rot 76:sc= 1.31 USER MOD Set 4.4: A 67 ASN : amide:sc= 0.0591 K(o=3.7,f=-7!) USER MOD Single : A 1 CYS N :NH3+ -146:sc= 1.08 (180deg=-0.207) USER MOD Single : A 2 MET CE :methyl -177:sc= 0 (180deg=-0.0247) USER MOD Single : A 5 ASN : amide:sc= -2.23 K(o=-2.2,f=-3.2!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot -147:sc= -0.265 USER MOD Single : A 12 LYS NZ :NH3+ -170:sc=-0.00822 (180deg=-0.121) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 158:sc= 1.34 (180deg=0.988) USER MOD Single : A 49 ASN : amide:sc= 0.618 K(o=0.62,f=-5.1!) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.0388 USER MOD Single : A 53 ASN : amide:sc= 0.257 K(o=0.26,f=-12!) USER MOD Single : A 64 TYR OH : rot 129:sc= -1.33! USER MOD Single : A 65 THR OG1 : rot -98:sc= -0.0989! USER MOD Single : A 66 THR OG1 : rot -69:sc= 0.249 USER MOD Single : A 70 LYS NZ :NH3+ -147:sc= 0.936 (180deg=-0.0395) USER MOD Single : A 79 GLN : amide:sc= -2.89! C(o=-2.9!,f=-15!) USER MOD ----------------------------------------------------------------- ATOM 50 N CYS A 1 5.074 30.226 2.866 1.00 0.00 N ATOM 51 CA CYS A 1 6.138 30.424 3.819 1.00 0.00 C ATOM 52 C CYS A 1 5.580 30.262 5.226 1.00 0.00 C ATOM 53 O CYS A 1 4.390 30.479 5.459 1.00 0.00 O ATOM 54 CB CYS A 1 6.778 31.804 3.623 1.00 0.00 C ATOM 55 SG CYS A 1 5.678 33.067 2.881 1.00 0.00 S ATOM 0 H1 CYS A 1 5.454 29.772 2.011 1.00 0.00 H new ATOM 0 H2 CYS A 1 4.342 29.617 3.285 1.00 0.00 H new ATOM 0 H3 CYS A 1 4.658 31.145 2.614 1.00 0.00 H new ATOM 0 HA CYS A 1 6.918 29.679 3.665 1.00 0.00 H new ATOM 0 HB2 CYS A 1 7.124 32.168 4.590 1.00 0.00 H new ATOM 0 HB3 CYS A 1 7.658 31.693 2.990 1.00 0.00 H new ATOM 60 N MET A 2 6.425 29.862 6.159 1.00 0.00 N ATOM 61 CA MET A 2 5.972 29.607 7.525 1.00 0.00 C ATOM 62 C MET A 2 6.232 30.774 8.452 1.00 0.00 C ATOM 63 O MET A 2 7.208 31.490 8.309 1.00 0.00 O ATOM 64 CB MET A 2 6.602 28.327 8.084 1.00 0.00 C ATOM 65 CG MET A 2 8.095 28.190 7.834 1.00 0.00 C ATOM 66 SD MET A 2 9.086 28.798 9.203 1.00 0.00 S ATOM 67 CE MET A 2 10.737 28.387 8.640 1.00 0.00 C ATOM 0 H MET A 2 7.421 29.706 6.004 1.00 0.00 H new ATOM 0 HA MET A 2 4.891 29.473 7.473 1.00 0.00 H new ATOM 0 HB2 MET A 2 6.423 28.290 9.159 1.00 0.00 H new ATOM 0 HB3 MET A 2 6.094 27.468 7.646 1.00 0.00 H new ATOM 0 HG2 MET A 2 8.335 27.142 7.655 1.00 0.00 H new ATOM 0 HG3 MET A 2 8.359 28.737 6.929 1.00 0.00 H new ATOM 0 HE1 MET A 2 11.461 28.655 9.409 1.00 0.00 H new ATOM 0 HE2 MET A 2 10.798 27.317 8.442 1.00 0.00 H new ATOM 0 HE3 MET A 2 10.958 28.939 7.726 1.00 0.00 H new ATOM 77 N PHE A 3 5.335 30.949 9.406 1.00 0.00 N ATOM 78 CA PHE A 3 5.373 32.065 10.321 1.00 0.00 C ATOM 79 C PHE A 3 5.880 31.556 11.652 1.00 0.00 C ATOM 80 O PHE A 3 5.149 30.883 12.377 1.00 0.00 O ATOM 81 CB PHE A 3 3.970 32.658 10.495 1.00 0.00 C ATOM 82 CG PHE A 3 3.333 33.144 9.219 1.00 0.00 C ATOM 83 CD1 PHE A 3 2.709 32.257 8.356 1.00 0.00 C ATOM 84 CD2 PHE A 3 3.346 34.491 8.889 1.00 0.00 C ATOM 85 CE1 PHE A 3 2.113 32.701 7.191 1.00 0.00 C ATOM 86 CE2 PHE A 3 2.751 34.941 7.726 1.00 0.00 C ATOM 87 CZ PHE A 3 2.135 34.044 6.876 1.00 0.00 C ATOM 0 H PHE A 3 4.554 30.312 9.565 1.00 0.00 H new ATOM 0 HA PHE A 3 6.028 32.845 9.933 1.00 0.00 H new ATOM 0 HB2 PHE A 3 3.324 31.904 10.944 1.00 0.00 H new ATOM 0 HB3 PHE A 3 4.026 33.489 11.198 1.00 0.00 H new ATOM 0 HD1 PHE A 3 2.688 31.205 8.597 1.00 0.00 H new ATOM 0 HD2 PHE A 3 3.827 35.197 9.549 1.00 0.00 H new ATOM 0 HE1 PHE A 3 1.631 31.998 6.528 1.00 0.00 H new ATOM 0 HE2 PHE A 3 2.768 35.993 7.482 1.00 0.00 H new ATOM 0 HZ PHE A 3 1.671 34.393 5.966 1.00 0.00 H new ATOM 97 N GLY A 4 7.125 31.833 11.964 1.00 0.00 N ATOM 98 CA GLY A 4 7.698 31.262 13.134 1.00 0.00 C ATOM 99 C GLY A 4 7.954 29.797 12.928 1.00 0.00 C ATOM 100 O GLY A 4 8.811 29.420 12.122 1.00 0.00 O ATOM 0 H GLY A 4 7.742 32.442 11.426 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.631 31.771 13.375 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.028 31.405 13.982 1.00 0.00 H new ATOM 104 N ASN A 5 7.131 28.992 13.593 1.00 0.00 N ATOM 105 CA ASN A 5 7.229 27.539 13.571 1.00 0.00 C ATOM 106 C ASN A 5 6.589 26.985 12.314 1.00 0.00 C ATOM 107 O ASN A 5 7.004 25.962 11.796 1.00 0.00 O ATOM 108 CB ASN A 5 6.500 26.943 14.779 1.00 0.00 C ATOM 109 CG ASN A 5 7.107 27.345 16.105 1.00 0.00 C ATOM 110 OD1 ASN A 5 8.303 27.606 16.208 1.00 0.00 O ATOM 111 ND2 ASN A 5 6.278 27.386 17.135 1.00 0.00 N ATOM 0 H ASN A 5 6.365 29.338 14.171 1.00 0.00 H new ATOM 0 HA ASN A 5 8.286 27.273 13.599 1.00 0.00 H new ATOM 0 HB2 ASN A 5 5.456 27.257 14.755 1.00 0.00 H new ATOM 0 HB3 ASN A 5 6.508 25.856 14.699 1.00 0.00 H new ATOM 0 HD21 ASN A 5 6.625 27.642 18.059 1.00 0.00 H new ATOM 0 HD22 ASN A 5 5.292 27.162 17.005 1.00 0.00 H new ATOM 118 N GLY A 6 5.552 27.658 11.836 1.00 0.00 N ATOM 119 CA GLY A 6 4.803 27.135 10.717 1.00 0.00 C ATOM 120 C GLY A 6 3.427 26.696 11.147 1.00 0.00 C ATOM 121 O GLY A 6 2.766 25.903 10.473 1.00 0.00 O ATOM 0 H GLY A 6 5.219 28.550 12.201 1.00 0.00 H new ATOM 0 HA2 GLY A 6 4.720 27.897 9.942 1.00 0.00 H new ATOM 0 HA3 GLY A 6 5.337 26.292 10.279 1.00 0.00 H new ATOM 125 N LYS A 7 3.005 27.223 12.280 1.00 0.00 N ATOM 126 CA LYS A 7 1.704 26.926 12.842 1.00 0.00 C ATOM 127 C LYS A 7 0.608 27.476 11.930 1.00 0.00 C ATOM 128 O LYS A 7 -0.367 26.789 11.622 1.00 0.00 O ATOM 129 CB LYS A 7 1.628 27.544 14.235 1.00 0.00 C ATOM 130 CG LYS A 7 2.663 26.984 15.198 1.00 0.00 C ATOM 131 CD LYS A 7 2.676 27.725 16.526 1.00 0.00 C ATOM 132 CE LYS A 7 2.997 29.202 16.348 1.00 0.00 C ATOM 133 NZ LYS A 7 3.195 29.890 17.653 1.00 0.00 N ATOM 0 H LYS A 7 3.559 27.872 12.839 1.00 0.00 H new ATOM 0 HA LYS A 7 1.558 25.849 12.922 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.763 28.623 14.154 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.632 27.377 14.645 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.457 25.928 15.375 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.651 27.044 14.741 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.705 27.620 17.010 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.413 27.270 17.188 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.897 29.307 15.742 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.187 29.686 15.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.412 30.894 17.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.328 29.812 18.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.984 29.445 18.164 1.00 0.00 H new ATOM 147 N GLY A 8 0.799 28.711 11.481 1.00 0.00 N ATOM 148 CA GLY A 8 -0.083 29.308 10.509 1.00 0.00 C ATOM 149 C GLY A 8 0.558 29.332 9.140 1.00 0.00 C ATOM 150 O GLY A 8 0.271 30.203 8.320 1.00 0.00 O ATOM 0 H GLY A 8 1.564 29.314 11.782 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -1.017 28.748 10.468 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -0.334 30.324 10.815 1.00 0.00 H new ATOM 154 N TYR A 9 1.458 28.382 8.911 1.00 0.00 N ATOM 155 CA TYR A 9 2.090 28.202 7.613 1.00 0.00 C ATOM 156 C TYR A 9 1.048 27.784 6.583 1.00 0.00 C ATOM 157 O TYR A 9 0.622 26.633 6.553 1.00 0.00 O ATOM 158 CB TYR A 9 3.186 27.137 7.731 1.00 0.00 C ATOM 159 CG TYR A 9 3.701 26.603 6.417 1.00 0.00 C ATOM 160 CD1 TYR A 9 3.814 27.414 5.302 1.00 0.00 C ATOM 161 CD2 TYR A 9 4.041 25.267 6.292 1.00 0.00 C ATOM 162 CE1 TYR A 9 4.253 26.911 4.101 1.00 0.00 C ATOM 163 CE2 TYR A 9 4.473 24.752 5.091 1.00 0.00 C ATOM 164 CZ TYR A 9 4.574 25.580 3.995 1.00 0.00 C ATOM 165 OH TYR A 9 4.968 25.075 2.783 1.00 0.00 O ATOM 0 H TYR A 9 1.768 27.717 9.620 1.00 0.00 H new ATOM 0 HA TYR A 9 2.538 29.141 7.287 1.00 0.00 H new ATOM 0 HB2 TYR A 9 4.023 27.559 8.288 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.800 26.304 8.318 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.553 28.459 5.377 1.00 0.00 H new ATOM 0 HD2 TYR A 9 3.966 24.618 7.152 1.00 0.00 H new ATOM 0 HE1 TYR A 9 4.345 27.560 3.243 1.00 0.00 H new ATOM 0 HE2 TYR A 9 4.731 23.706 5.009 1.00 0.00 H new ATOM 0 HH TYR A 9 4.660 24.148 2.699 1.00 0.00 H new ATOM 175 N ARG A 10 0.617 28.725 5.761 1.00 0.00 N ATOM 176 CA ARG A 10 -0.416 28.456 4.764 1.00 0.00 C ATOM 177 C ARG A 10 0.203 28.288 3.377 1.00 0.00 C ATOM 178 O ARG A 10 -0.229 28.914 2.410 1.00 0.00 O ATOM 179 CB ARG A 10 -1.446 29.593 4.756 1.00 0.00 C ATOM 180 CG ARG A 10 -2.691 29.362 5.624 1.00 0.00 C ATOM 181 CD ARG A 10 -2.379 29.174 7.108 1.00 0.00 C ATOM 182 NE ARG A 10 -1.779 27.874 7.389 1.00 0.00 N ATOM 183 CZ ARG A 10 -2.104 27.093 8.411 1.00 0.00 C ATOM 184 NH1 ARG A 10 -3.160 27.366 9.169 1.00 0.00 N ATOM 185 NH2 ARG A 10 -1.378 26.014 8.650 1.00 0.00 N ATOM 0 H ARG A 10 0.964 29.684 5.761 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.919 27.526 5.027 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.955 30.507 5.091 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.767 29.762 3.728 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.366 30.210 5.508 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.220 28.482 5.259 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.702 29.962 7.437 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.297 29.280 7.686 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.055 27.541 6.752 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.733 28.185 8.969 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -3.397 26.756 9.951 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.581 25.793 8.053 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.615 25.403 9.432 1.00 0.00 H new ATOM 199 N GLY A 11 1.208 27.426 3.294 1.00 0.00 N ATOM 200 CA GLY A 11 1.925 27.227 2.048 1.00 0.00 C ATOM 201 C GLY A 11 1.622 25.888 1.406 1.00 0.00 C ATOM 202 O GLY A 11 0.659 25.215 1.789 1.00 0.00 O ATOM 0 H GLY A 11 1.542 26.857 4.072 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.666 28.026 1.353 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.996 27.302 2.234 1.00 0.00 H new ATOM 206 N LYS A 12 2.459 25.476 0.460 1.00 0.00 N ATOM 207 CA LYS A 12 2.167 24.324 -0.373 1.00 0.00 C ATOM 208 C LYS A 12 3.424 23.522 -0.648 1.00 0.00 C ATOM 209 O LYS A 12 3.459 22.710 -1.575 1.00 0.00 O ATOM 210 CB LYS A 12 1.574 24.812 -1.687 1.00 0.00 C ATOM 211 CG LYS A 12 2.530 25.705 -2.461 1.00 0.00 C ATOM 212 CD LYS A 12 1.796 26.558 -3.468 1.00 0.00 C ATOM 213 CE LYS A 12 1.099 25.714 -4.526 1.00 0.00 C ATOM 214 NZ LYS A 12 2.068 24.958 -5.363 1.00 0.00 N ATOM 0 H LYS A 12 3.349 25.929 0.253 1.00 0.00 H new ATOM 0 HA LYS A 12 1.460 23.678 0.147 1.00 0.00 H new ATOM 0 HB2 LYS A 12 1.306 23.953 -2.302 1.00 0.00 H new ATOM 0 HB3 LYS A 12 0.653 25.359 -1.485 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.074 26.346 -1.767 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.270 25.090 -2.974 1.00 0.00 H new ATOM 0 HD2 LYS A 12 1.060 27.175 -2.953 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.499 27.237 -3.950 1.00 0.00 H new ATOM 0 HE2 LYS A 12 0.417 25.016 -4.041 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.495 26.359 -5.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 1.571 24.533 -6.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 2.805 25.604 -5.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 2.507 24.207 -4.793 1.00 0.00 H new ATOM 228 N ARG A 13 4.459 23.757 0.144 1.00 0.00 N ATOM 229 CA ARG A 13 5.676 22.987 0.012 1.00 0.00 C ATOM 230 C ARG A 13 5.352 21.544 0.359 1.00 0.00 C ATOM 231 O ARG A 13 4.629 21.285 1.312 1.00 0.00 O ATOM 232 CB ARG A 13 6.769 23.520 0.937 1.00 0.00 C ATOM 233 CG ARG A 13 7.107 24.989 0.738 1.00 0.00 C ATOM 234 CD ARG A 13 8.133 25.209 -0.363 1.00 0.00 C ATOM 235 NE ARG A 13 8.416 26.635 -0.551 1.00 0.00 N ATOM 236 CZ ARG A 13 9.590 27.133 -0.927 1.00 0.00 C ATOM 237 NH1 ARG A 13 10.636 26.334 -1.123 1.00 0.00 N ATOM 238 NH2 ARG A 13 9.715 28.443 -1.103 1.00 0.00 N ATOM 0 H ARG A 13 4.477 24.467 0.876 1.00 0.00 H new ATOM 0 HA ARG A 13 6.051 23.063 -1.009 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.457 23.369 1.971 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.673 22.929 0.788 1.00 0.00 H new ATOM 0 HG2 ARG A 13 6.197 25.538 0.496 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.489 25.400 1.673 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.055 24.683 -0.114 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.765 24.783 -1.296 1.00 0.00 H new ATOM 0 HE ARG A 13 7.656 27.294 -0.381 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.542 25.328 -0.985 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.532 26.728 -1.411 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.915 29.057 -0.950 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.611 28.836 -1.391 1.00 0.00 H new ATOM 252 N VAL A 14 5.860 20.617 -0.421 1.00 0.00 N ATOM 253 CA VAL A 14 5.493 19.210 -0.279 1.00 0.00 C ATOM 254 C VAL A 14 6.717 18.326 -0.428 1.00 0.00 C ATOM 255 O VAL A 14 6.676 17.256 -1.037 1.00 0.00 O ATOM 256 CB VAL A 14 4.419 18.802 -1.313 1.00 0.00 C ATOM 257 CG1 VAL A 14 3.055 19.323 -0.903 1.00 0.00 C ATOM 258 CG2 VAL A 14 4.774 19.332 -2.686 1.00 0.00 C ATOM 0 H VAL A 14 6.532 20.804 -1.165 1.00 0.00 H new ATOM 0 HA VAL A 14 5.074 19.076 0.718 1.00 0.00 H new ATOM 0 HB VAL A 14 4.385 17.713 -1.350 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.314 19.025 -1.644 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.784 18.909 0.068 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.086 20.411 -0.838 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.006 19.035 -3.400 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.836 20.420 -2.651 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.736 18.924 -2.996 1.00 0.00 H new ATOM 268 N THR A 15 7.804 18.788 0.150 1.00 0.00 N ATOM 269 CA THR A 15 9.074 18.118 0.065 1.00 0.00 C ATOM 270 C THR A 15 9.852 18.445 1.334 1.00 0.00 C ATOM 271 O THR A 15 9.859 19.596 1.790 1.00 0.00 O ATOM 272 CB THR A 15 9.842 18.558 -1.215 1.00 0.00 C ATOM 273 OG1 THR A 15 10.163 17.412 -2.007 1.00 0.00 O ATOM 274 CG2 THR A 15 11.110 19.341 -0.904 1.00 0.00 C ATOM 0 H THR A 15 7.827 19.649 0.697 1.00 0.00 H new ATOM 0 HA THR A 15 8.938 17.039 -0.013 1.00 0.00 H new ATOM 0 HB THR A 15 9.182 19.226 -1.769 1.00 0.00 H new ATOM 0 HG1 THR A 15 10.645 17.695 -2.812 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.603 19.621 -1.835 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.854 20.241 -0.345 1.00 0.00 H new ATOM 0 HG23 THR A 15 11.783 18.723 -0.309 1.00 0.00 H new ATOM 282 N THR A 16 10.460 17.436 1.920 1.00 0.00 N ATOM 283 CA THR A 16 11.147 17.585 3.186 1.00 0.00 C ATOM 284 C THR A 16 12.471 18.330 3.035 1.00 0.00 C ATOM 285 O THR A 16 12.781 18.867 1.967 1.00 0.00 O ATOM 286 CB THR A 16 11.417 16.207 3.801 1.00 0.00 C ATOM 287 OG1 THR A 16 12.155 15.410 2.867 1.00 0.00 O ATOM 288 CG2 THR A 16 10.114 15.506 4.153 1.00 0.00 C ATOM 0 H THR A 16 10.492 16.492 1.534 1.00 0.00 H new ATOM 0 HA THR A 16 10.499 18.171 3.838 1.00 0.00 H new ATOM 0 HB THR A 16 11.994 16.339 4.716 1.00 0.00 H new ATOM 0 HG1 THR A 16 12.400 14.558 3.286 1.00 0.00 H new ATOM 0 HG21 THR A 16 10.332 14.530 4.588 1.00 0.00 H new ATOM 0 HG22 THR A 16 9.560 16.108 4.873 1.00 0.00 H new ATOM 0 HG23 THR A 16 9.516 15.376 3.251 1.00 0.00 H new ATOM 296 N VAL A 17 13.260 18.346 4.099 1.00 0.00 N ATOM 297 CA VAL A 17 14.583 18.941 4.059 1.00 0.00 C ATOM 298 C VAL A 17 15.496 18.170 3.117 1.00 0.00 C ATOM 299 O VAL A 17 16.519 18.678 2.655 1.00 0.00 O ATOM 300 CB VAL A 17 15.235 19.013 5.449 1.00 0.00 C ATOM 301 CG1 VAL A 17 14.537 20.054 6.312 1.00 0.00 C ATOM 302 CG2 VAL A 17 15.223 17.650 6.129 1.00 0.00 C ATOM 0 H VAL A 17 13.003 17.951 5.004 1.00 0.00 H new ATOM 0 HA VAL A 17 14.451 19.959 3.693 1.00 0.00 H new ATOM 0 HB VAL A 17 16.275 19.314 5.322 1.00 0.00 H new ATOM 0 HG11 VAL A 17 15.012 20.091 7.292 1.00 0.00 H new ATOM 0 HG12 VAL A 17 14.612 21.031 5.835 1.00 0.00 H new ATOM 0 HG13 VAL A 17 13.487 19.786 6.427 1.00 0.00 H new ATOM 0 HG21 VAL A 17 15.690 17.729 7.111 1.00 0.00 H new ATOM 0 HG22 VAL A 17 14.194 17.309 6.243 1.00 0.00 H new ATOM 0 HG23 VAL A 17 15.776 16.935 5.520 1.00 0.00 H new ATOM 312 N THR A 18 15.100 16.943 2.828 1.00 0.00 N ATOM 313 CA THR A 18 15.835 16.086 1.916 1.00 0.00 C ATOM 314 C THR A 18 15.259 16.237 0.522 1.00 0.00 C ATOM 315 O THR A 18 15.855 15.833 -0.478 1.00 0.00 O ATOM 316 CB THR A 18 15.703 14.613 2.337 1.00 0.00 C ATOM 317 OG1 THR A 18 14.361 14.165 2.098 1.00 0.00 O ATOM 318 CG2 THR A 18 16.025 14.442 3.812 1.00 0.00 C ATOM 0 H THR A 18 14.261 16.514 3.218 1.00 0.00 H new ATOM 0 HA THR A 18 16.886 16.375 1.935 1.00 0.00 H new ATOM 0 HB THR A 18 16.408 14.024 1.751 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.735 14.896 2.280 1.00 0.00 H new ATOM 0 HG21 THR A 18 15.925 13.392 4.087 1.00 0.00 H new ATOM 0 HG22 THR A 18 17.047 14.771 4.002 1.00 0.00 H new ATOM 0 HG23 THR A 18 15.335 15.040 4.407 1.00 0.00 H new ATOM 326 N GLY A 19 14.095 16.861 0.479 1.00 0.00 N ATOM 327 CA GLY A 19 13.335 16.952 -0.743 1.00 0.00 C ATOM 328 C GLY A 19 12.547 15.691 -1.012 1.00 0.00 C ATOM 329 O GLY A 19 12.173 15.418 -2.152 1.00 0.00 O ATOM 0 H GLY A 19 13.659 17.312 1.283 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.653 17.800 -0.684 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.010 17.143 -1.577 1.00 0.00 H new ATOM 333 N THR A 20 12.310 14.899 0.029 1.00 0.00 N ATOM 334 CA THR A 20 11.374 13.795 -0.082 1.00 0.00 C ATOM 335 C THR A 20 9.948 14.332 -0.058 1.00 0.00 C ATOM 336 O THR A 20 9.576 15.050 0.864 1.00 0.00 O ATOM 337 CB THR A 20 11.541 12.787 1.068 1.00 0.00 C ATOM 338 OG1 THR A 20 12.836 12.172 1.010 1.00 0.00 O ATOM 339 CG2 THR A 20 10.462 11.718 1.002 1.00 0.00 C ATOM 0 H THR A 20 12.748 15.001 0.945 1.00 0.00 H new ATOM 0 HA THR A 20 11.578 13.283 -1.022 1.00 0.00 H new ATOM 0 HB THR A 20 11.445 13.327 2.010 1.00 0.00 H new ATOM 0 HG1 THR A 20 13.513 12.804 1.331 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.596 11.014 1.823 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.481 12.186 1.082 1.00 0.00 H new ATOM 0 HG23 THR A 20 10.534 11.186 0.053 1.00 0.00 H new ATOM 347 N PRO A 21 9.145 14.035 -1.090 1.00 0.00 N ATOM 348 CA PRO A 21 7.728 14.402 -1.115 1.00 0.00 C ATOM 349 C PRO A 21 6.984 13.993 0.143 1.00 0.00 C ATOM 350 O PRO A 21 7.127 12.866 0.632 1.00 0.00 O ATOM 351 CB PRO A 21 7.192 13.604 -2.280 1.00 0.00 C ATOM 352 CG PRO A 21 8.334 13.523 -3.214 1.00 0.00 C ATOM 353 CD PRO A 21 9.545 13.345 -2.335 1.00 0.00 C ATOM 0 HA PRO A 21 7.601 15.482 -1.192 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.862 12.614 -1.967 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.335 14.096 -2.740 1.00 0.00 H new ATOM 0 HG2 PRO A 21 8.221 12.687 -3.904 1.00 0.00 H new ATOM 0 HG3 PRO A 21 8.414 14.427 -3.818 1.00 0.00 H new ATOM 0 HD2 PRO A 21 9.768 12.292 -2.161 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.436 13.791 -2.777 1.00 0.00 H new ATOM 361 N CYS A 22 6.181 14.903 0.641 1.00 0.00 N ATOM 362 CA CYS A 22 5.375 14.645 1.812 1.00 0.00 C ATOM 363 C CYS A 22 4.192 13.760 1.460 1.00 0.00 C ATOM 364 O CYS A 22 3.609 13.870 0.378 1.00 0.00 O ATOM 365 CB CYS A 22 4.889 15.958 2.413 1.00 0.00 C ATOM 366 SG CYS A 22 6.239 17.060 2.925 1.00 0.00 S ATOM 0 H CYS A 22 6.068 15.838 0.249 1.00 0.00 H new ATOM 0 HA CYS A 22 5.988 14.125 2.548 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.265 16.474 1.683 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.258 15.743 3.276 1.00 0.00 H new ATOM 371 N GLN A 23 3.886 12.858 2.369 1.00 0.00 N ATOM 372 CA GLN A 23 2.710 12.020 2.284 1.00 0.00 C ATOM 373 C GLN A 23 1.496 12.860 2.544 1.00 0.00 C ATOM 374 O GLN A 23 1.594 13.940 3.129 1.00 0.00 O ATOM 375 CB GLN A 23 2.765 10.955 3.359 1.00 0.00 C ATOM 376 CG GLN A 23 1.736 9.854 3.227 1.00 0.00 C ATOM 377 CD GLN A 23 1.895 8.860 4.340 1.00 0.00 C ATOM 378 OE1 GLN A 23 2.688 7.951 4.224 1.00 0.00 O ATOM 379 NE2 GLN A 23 1.092 8.979 5.385 1.00 0.00 N ATOM 0 H GLN A 23 4.455 12.685 3.198 1.00 0.00 H new ATOM 0 HA GLN A 23 2.669 11.562 1.296 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.758 10.505 3.352 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.639 11.434 4.330 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.733 10.279 3.250 1.00 0.00 H new ATOM 0 HG3 GLN A 23 1.848 9.355 2.265 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.440 9.761 5.440 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.125 8.289 6.135 1.00 0.00 H new ATOM 388 N ASP A 24 0.353 12.343 2.177 1.00 0.00 N ATOM 389 CA ASP A 24 -0.865 13.038 2.456 1.00 0.00 C ATOM 390 C ASP A 24 -1.147 12.822 3.920 1.00 0.00 C ATOM 391 O ASP A 24 -1.142 11.684 4.398 1.00 0.00 O ATOM 392 CB ASP A 24 -2.028 12.537 1.585 1.00 0.00 C ATOM 393 CG ASP A 24 -1.942 13.011 0.140 1.00 0.00 C ATOM 394 OD1 ASP A 24 -2.464 14.103 -0.172 1.00 0.00 O ATOM 395 OD2 ASP A 24 -1.370 12.282 -0.697 1.00 0.00 O ATOM 0 H ASP A 24 0.245 11.453 1.690 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.763 14.098 2.223 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.044 11.447 1.603 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.969 12.877 2.017 1.00 0.00 H new ATOM 400 N TRP A 25 -1.319 13.913 4.644 1.00 0.00 N ATOM 401 CA TRP A 25 -1.696 13.852 6.047 1.00 0.00 C ATOM 402 C TRP A 25 -2.941 12.997 6.174 1.00 0.00 C ATOM 403 O TRP A 25 -3.164 12.328 7.181 1.00 0.00 O ATOM 404 CB TRP A 25 -1.983 15.254 6.587 1.00 0.00 C ATOM 405 CG TRP A 25 -0.911 16.247 6.274 1.00 0.00 C ATOM 406 CD1 TRP A 25 -0.813 17.010 5.154 1.00 0.00 C ATOM 407 CD2 TRP A 25 0.206 16.601 7.095 1.00 0.00 C ATOM 408 NE1 TRP A 25 0.298 17.796 5.221 1.00 0.00 N ATOM 409 CE2 TRP A 25 0.937 17.575 6.404 1.00 0.00 C ATOM 410 CE3 TRP A 25 0.659 16.191 8.342 1.00 0.00 C ATOM 411 CZ2 TRP A 25 2.095 18.145 6.920 1.00 0.00 C ATOM 412 CZ3 TRP A 25 1.806 16.755 8.861 1.00 0.00 C ATOM 413 CH2 TRP A 25 2.512 17.725 8.151 1.00 0.00 C ATOM 0 H TRP A 25 -1.203 14.859 4.281 1.00 0.00 H new ATOM 0 HA TRP A 25 -0.877 13.421 6.624 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -2.927 15.608 6.172 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -2.111 15.199 7.668 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -1.513 16.996 4.332 1.00 0.00 H new ATOM 0 HE1 TRP A 25 0.604 18.448 4.499 1.00 0.00 H new ATOM 0 HE3 TRP A 25 0.120 15.439 8.899 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 2.645 18.893 6.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 2.162 16.441 9.831 1.00 0.00 H new ATOM 0 HH2 TRP A 25 3.405 18.152 8.582 1.00 0.00 H new ATOM 424 N ALA A 26 -3.735 13.042 5.118 1.00 0.00 N ATOM 425 CA ALA A 26 -4.955 12.266 5.017 1.00 0.00 C ATOM 426 C ALA A 26 -4.702 10.794 4.678 1.00 0.00 C ATOM 427 O ALA A 26 -5.611 9.978 4.812 1.00 0.00 O ATOM 428 CB ALA A 26 -5.885 12.888 3.986 1.00 0.00 C ATOM 0 H ALA A 26 -3.548 13.623 4.301 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.424 12.286 6.001 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.799 12.298 3.917 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.132 13.906 4.286 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.391 12.906 3.015 1.00 0.00 H new ATOM 434 N ALA A 27 -3.491 10.427 4.236 1.00 0.00 N ATOM 435 CA ALA A 27 -3.244 9.067 3.847 1.00 0.00 C ATOM 436 C ALA A 27 -2.414 8.408 4.915 1.00 0.00 C ATOM 437 O ALA A 27 -1.605 9.054 5.544 1.00 0.00 O ATOM 438 CB ALA A 27 -2.530 9.016 2.506 1.00 0.00 C ATOM 0 H ALA A 27 -2.692 11.054 4.146 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.190 8.537 3.737 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.352 7.977 2.228 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.148 9.494 1.746 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.577 9.540 2.581 1.00 0.00 H new ATOM 444 N GLN A 28 -2.606 7.131 5.093 1.00 0.00 N ATOM 445 CA GLN A 28 -1.893 6.356 6.074 1.00 0.00 C ATOM 446 C GLN A 28 -0.867 5.588 5.298 1.00 0.00 C ATOM 447 O GLN A 28 -0.491 4.463 5.625 1.00 0.00 O ATOM 448 CB GLN A 28 -2.846 5.379 6.765 1.00 0.00 C ATOM 449 CG GLN A 28 -3.994 6.047 7.492 1.00 0.00 C ATOM 450 CD GLN A 28 -3.501 6.941 8.596 1.00 0.00 C ATOM 451 OE1 GLN A 28 -3.275 6.485 9.704 1.00 0.00 O ATOM 452 NE2 GLN A 28 -3.321 8.215 8.300 1.00 0.00 N ATOM 0 H GLN A 28 -3.276 6.587 4.550 1.00 0.00 H new ATOM 0 HA GLN A 28 -1.447 6.986 6.843 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -3.251 4.694 6.020 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.280 4.777 7.476 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.583 6.631 6.785 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.656 5.286 7.906 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.523 8.553 7.359 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -2.980 8.861 9.012 1.00 0.00 H new ATOM 461 N GLU A 29 -0.462 6.202 4.214 1.00 0.00 N ATOM 462 CA GLU A 29 0.150 5.473 3.152 1.00 0.00 C ATOM 463 C GLU A 29 1.220 6.248 2.404 1.00 0.00 C ATOM 464 O GLU A 29 0.964 7.342 1.911 1.00 0.00 O ATOM 465 CB GLU A 29 -0.968 5.091 2.219 1.00 0.00 C ATOM 466 CG GLU A 29 -1.869 4.009 2.774 1.00 0.00 C ATOM 467 CD GLU A 29 -2.121 2.882 1.797 1.00 0.00 C ATOM 468 OE1 GLU A 29 -2.918 3.066 0.851 1.00 0.00 O ATOM 469 OE2 GLU A 29 -1.521 1.803 1.974 1.00 0.00 O ATOM 0 H GLU A 29 -0.549 7.205 4.052 1.00 0.00 H new ATOM 0 HA GLU A 29 0.674 4.611 3.565 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.567 5.975 2.000 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.543 4.751 1.274 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.421 3.602 3.680 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.823 4.452 3.061 1.00 0.00 H new ATOM 476 N PRO A 30 2.429 5.667 2.276 1.00 0.00 N ATOM 477 CA PRO A 30 2.753 4.334 2.792 1.00 0.00 C ATOM 478 C PRO A 30 3.186 4.361 4.259 1.00 0.00 C ATOM 479 O PRO A 30 3.926 3.495 4.717 1.00 0.00 O ATOM 480 CB PRO A 30 3.919 3.876 1.902 1.00 0.00 C ATOM 481 CG PRO A 30 4.279 5.046 1.032 1.00 0.00 C ATOM 482 CD PRO A 30 3.578 6.253 1.590 1.00 0.00 C ATOM 0 HA PRO A 30 1.888 3.671 2.763 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.771 3.567 2.508 1.00 0.00 H new ATOM 0 HB3 PRO A 30 3.630 3.017 1.296 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.358 5.199 1.022 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.973 4.867 0.001 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.216 6.812 2.274 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.272 6.943 0.804 1.00 0.00 H new ATOM 490 N HIS A 31 2.719 5.365 4.984 1.00 0.00 N ATOM 491 CA HIS A 31 3.026 5.521 6.392 1.00 0.00 C ATOM 492 C HIS A 31 1.728 5.719 7.133 1.00 0.00 C ATOM 493 O HIS A 31 1.095 6.781 7.046 1.00 0.00 O ATOM 494 CB HIS A 31 3.977 6.707 6.633 1.00 0.00 C ATOM 495 CG HIS A 31 5.313 6.538 5.981 1.00 0.00 C ATOM 496 ND1 HIS A 31 5.505 6.683 4.628 1.00 0.00 N ATOM 497 CD2 HIS A 31 6.520 6.213 6.497 1.00 0.00 C ATOM 498 CE1 HIS A 31 6.767 6.446 4.337 1.00 0.00 C ATOM 499 NE2 HIS A 31 7.408 6.161 5.454 1.00 0.00 N ATOM 0 H HIS A 31 2.114 6.096 4.609 1.00 0.00 H new ATOM 0 HA HIS A 31 3.537 4.629 6.755 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.511 7.619 6.259 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.118 6.838 7.706 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.743 6.029 7.538 1.00 0.00 H new ATOM 0 HE1 HIS A 31 7.204 6.479 3.350 1.00 0.00 H new ATOM 0 HE2 HIS A 31 8.401 5.939 5.529 1.00 0.00 H new ATOM 508 N ARG A 32 1.294 4.675 7.805 1.00 0.00 N ATOM 509 CA ARG A 32 0.028 4.715 8.501 1.00 0.00 C ATOM 510 C ARG A 32 0.199 5.556 9.754 1.00 0.00 C ATOM 511 O ARG A 32 1.011 5.232 10.621 1.00 0.00 O ATOM 512 CB ARG A 32 -0.478 3.305 8.857 1.00 0.00 C ATOM 513 CG ARG A 32 0.586 2.221 8.787 1.00 0.00 C ATOM 514 CD ARG A 32 0.800 1.740 7.357 1.00 0.00 C ATOM 515 NE ARG A 32 -0.189 0.734 6.963 1.00 0.00 N ATOM 516 CZ ARG A 32 -0.802 0.693 5.778 1.00 0.00 C ATOM 517 NH1 ARG A 32 -0.642 1.679 4.897 1.00 0.00 N ATOM 518 NH2 ARG A 32 -1.603 -0.325 5.485 1.00 0.00 N ATOM 0 H ARG A 32 1.797 3.791 7.884 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.723 5.158 7.847 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.894 3.325 9.864 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.292 3.043 8.181 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.525 2.605 9.187 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.292 1.380 9.415 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.744 2.590 6.676 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.802 1.321 7.262 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.427 0.012 7.644 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -0.047 2.475 5.125 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -1.115 1.638 3.994 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -1.748 -1.072 6.164 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -2.073 -0.360 4.581 1.00 0.00 H new ATOM 532 N HIS A 33 -0.536 6.645 9.835 1.00 0.00 N ATOM 533 CA HIS A 33 -0.356 7.595 10.927 1.00 0.00 C ATOM 534 C HIS A 33 -1.694 8.203 11.332 1.00 0.00 C ATOM 535 O HIS A 33 -2.158 9.184 10.758 1.00 0.00 O ATOM 536 CB HIS A 33 0.636 8.699 10.526 1.00 0.00 C ATOM 537 CG HIS A 33 0.132 9.554 9.411 1.00 0.00 C ATOM 538 ND1 HIS A 33 -0.101 10.895 9.530 1.00 0.00 N ATOM 539 CD2 HIS A 33 -0.247 9.223 8.181 1.00 0.00 C ATOM 540 CE1 HIS A 33 -0.604 11.361 8.412 1.00 0.00 C ATOM 541 NE2 HIS A 33 -0.700 10.366 7.570 1.00 0.00 N ATOM 0 H HIS A 33 -1.262 6.899 9.165 1.00 0.00 H new ATOM 0 HA HIS A 33 0.054 7.059 11.783 1.00 0.00 H new ATOM 0 HB2 HIS A 33 0.844 9.326 11.393 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.580 8.242 10.229 1.00 0.00 H new ATOM 0 HD1 HIS A 33 0.088 11.451 10.364 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -0.206 8.237 7.743 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.888 12.385 8.221 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -1.054 10.428 6.615 1.00 0.00 H new ATOM 550 N SER A 34 -2.325 7.600 12.297 1.00 0.00 N ATOM 551 CA SER A 34 -3.571 8.125 12.847 1.00 0.00 C ATOM 552 C SER A 34 -3.300 9.358 13.729 1.00 0.00 C ATOM 553 O SER A 34 -4.020 9.623 14.693 1.00 0.00 O ATOM 554 CB SER A 34 -4.262 7.030 13.656 1.00 0.00 C ATOM 555 OG SER A 34 -4.235 5.796 12.955 1.00 0.00 O ATOM 0 H SER A 34 -2.005 6.735 12.732 1.00 0.00 H new ATOM 0 HA SER A 34 -4.221 8.436 12.029 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.768 6.917 14.621 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.294 7.317 13.858 1.00 0.00 H new ATOM 0 HG SER A 34 -4.681 5.106 13.490 1.00 0.00 H new ATOM 561 N ILE A 35 -2.259 10.110 13.371 1.00 0.00 N ATOM 562 CA ILE A 35 -1.784 11.230 14.141 1.00 0.00 C ATOM 563 C ILE A 35 -1.338 12.311 13.183 1.00 0.00 C ATOM 564 O ILE A 35 -0.771 12.015 12.118 1.00 0.00 O ATOM 565 CB ILE A 35 -0.610 10.851 15.072 1.00 0.00 C ATOM 566 CG1 ILE A 35 0.497 10.179 14.260 1.00 0.00 C ATOM 567 CG2 ILE A 35 -1.085 9.953 16.206 1.00 0.00 C ATOM 568 CD1 ILE A 35 1.725 9.828 15.070 1.00 0.00 C ATOM 0 H ILE A 35 -1.721 9.944 12.520 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.598 11.576 14.777 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.208 11.759 15.522 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.101 9.270 13.807 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.789 10.841 13.445 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.241 9.700 16.848 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.842 10.475 16.791 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.513 9.040 15.792 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.464 9.355 14.424 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.148 10.735 15.502 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.449 9.140 15.869 1.00 0.00 H new ATOM 580 N PHE A 36 -1.577 13.545 13.570 1.00 0.00 N ATOM 581 CA PHE A 36 -1.344 14.686 12.725 1.00 0.00 C ATOM 582 C PHE A 36 -1.967 14.489 11.351 1.00 0.00 C ATOM 583 O PHE A 36 -1.313 14.614 10.316 1.00 0.00 O ATOM 584 CB PHE A 36 0.142 15.011 12.645 1.00 0.00 C ATOM 585 CG PHE A 36 0.775 15.212 13.996 1.00 0.00 C ATOM 586 CD1 PHE A 36 0.600 16.398 14.687 1.00 0.00 C ATOM 587 CD2 PHE A 36 1.543 14.215 14.569 1.00 0.00 C ATOM 588 CE1 PHE A 36 1.181 16.588 15.927 1.00 0.00 C ATOM 589 CE2 PHE A 36 2.129 14.397 15.808 1.00 0.00 C ATOM 590 CZ PHE A 36 1.948 15.585 16.488 1.00 0.00 C ATOM 0 H PHE A 36 -1.943 13.782 14.492 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.836 15.549 13.173 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.657 14.203 12.125 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.279 15.913 12.048 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.002 17.185 14.252 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.687 13.283 14.042 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.036 17.518 16.456 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.728 13.611 16.244 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.405 15.730 17.456 1.00 0.00 H new ATOM 600 N THR A 37 -3.233 14.121 11.377 1.00 0.00 N ATOM 601 CA THR A 37 -4.053 14.063 10.186 1.00 0.00 C ATOM 602 C THR A 37 -4.977 15.277 10.145 1.00 0.00 C ATOM 603 O THR A 37 -4.991 16.078 11.083 1.00 0.00 O ATOM 604 CB THR A 37 -4.924 12.795 10.182 1.00 0.00 C ATOM 605 OG1 THR A 37 -5.865 12.851 11.267 1.00 0.00 O ATOM 606 CG2 THR A 37 -4.069 11.544 10.307 1.00 0.00 C ATOM 0 H THR A 37 -3.723 13.853 12.230 1.00 0.00 H new ATOM 0 HA THR A 37 -3.392 14.051 9.319 1.00 0.00 H new ATOM 0 HB THR A 37 -5.459 12.749 9.234 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.948 11.963 11.674 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.711 10.663 10.302 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.375 11.493 9.468 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.508 11.579 11.241 1.00 0.00 H new ATOM 614 N PRO A 38 -5.768 15.440 9.075 1.00 0.00 N ATOM 615 CA PRO A 38 -6.837 16.437 9.047 1.00 0.00 C ATOM 616 C PRO A 38 -7.944 16.099 10.047 1.00 0.00 C ATOM 617 O PRO A 38 -8.822 16.916 10.323 1.00 0.00 O ATOM 618 CB PRO A 38 -7.381 16.356 7.618 1.00 0.00 C ATOM 619 CG PRO A 38 -6.330 15.648 6.835 1.00 0.00 C ATOM 620 CD PRO A 38 -5.668 14.712 7.801 1.00 0.00 C ATOM 0 HA PRO A 38 -6.476 17.429 9.317 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -8.326 15.814 7.587 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.570 17.350 7.213 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -6.766 15.103 5.998 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.611 16.353 6.417 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -6.176 13.748 7.844 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.632 14.514 7.528 1.00 0.00 H new ATOM 628 N GLU A 39 -7.896 14.886 10.588 1.00 0.00 N ATOM 629 CA GLU A 39 -8.901 14.434 11.535 1.00 0.00 C ATOM 630 C GLU A 39 -8.485 14.794 12.953 1.00 0.00 C ATOM 631 O GLU A 39 -9.305 15.228 13.767 1.00 0.00 O ATOM 632 CB GLU A 39 -9.093 12.923 11.421 1.00 0.00 C ATOM 633 CG GLU A 39 -9.627 12.472 10.074 1.00 0.00 C ATOM 634 CD GLU A 39 -9.648 10.964 9.937 1.00 0.00 C ATOM 635 OE1 GLU A 39 -9.976 10.277 10.928 1.00 0.00 O ATOM 636 OE2 GLU A 39 -9.326 10.459 8.840 1.00 0.00 O ATOM 0 H GLU A 39 -7.169 14.200 10.384 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.844 14.930 11.304 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.139 12.430 11.606 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.779 12.594 12.202 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.636 12.861 9.938 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.012 12.898 9.281 1.00 0.00 H new ATOM 643 N THR A 40 -7.205 14.627 13.238 1.00 0.00 N ATOM 644 CA THR A 40 -6.685 14.876 14.572 1.00 0.00 C ATOM 645 C THR A 40 -6.220 16.319 14.723 1.00 0.00 C ATOM 646 O THR A 40 -6.138 16.845 15.836 1.00 0.00 O ATOM 647 CB THR A 40 -5.515 13.932 14.899 1.00 0.00 C ATOM 648 OG1 THR A 40 -4.495 14.059 13.903 1.00 0.00 O ATOM 649 CG2 THR A 40 -5.986 12.487 14.970 1.00 0.00 C ATOM 0 H THR A 40 -6.505 14.319 12.562 1.00 0.00 H new ATOM 0 HA THR A 40 -7.501 14.689 15.271 1.00 0.00 H new ATOM 0 HB THR A 40 -5.111 14.211 15.872 1.00 0.00 H new ATOM 0 HG1 THR A 40 -3.959 14.859 14.084 1.00 0.00 H new ATOM 0 HG21 THR A 40 -5.140 11.840 15.202 1.00 0.00 H new ATOM 0 HG22 THR A 40 -6.743 12.389 15.748 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.413 12.196 14.010 1.00 0.00 H new ATOM 657 N ASN A 41 -5.913 16.964 13.601 1.00 0.00 N ATOM 658 CA ASN A 41 -5.412 18.333 13.629 1.00 0.00 C ATOM 659 C ASN A 41 -6.060 19.188 12.545 1.00 0.00 C ATOM 660 O ASN A 41 -5.379 19.746 11.694 1.00 0.00 O ATOM 661 CB ASN A 41 -3.895 18.342 13.441 1.00 0.00 C ATOM 662 CG ASN A 41 -3.167 17.621 14.548 1.00 0.00 C ATOM 663 OD1 ASN A 41 -2.991 16.403 14.512 1.00 0.00 O ATOM 664 ND2 ASN A 41 -2.717 18.373 15.529 1.00 0.00 N ATOM 0 H ASN A 41 -6.002 16.563 12.667 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.667 18.757 14.600 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -3.649 17.877 12.487 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.545 19.373 13.393 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -2.200 17.950 16.300 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -2.885 19.379 15.519 1.00 0.00 H new ATOM 671 N PRO A 42 -7.382 19.350 12.577 1.00 0.00 N ATOM 672 CA PRO A 42 -8.096 20.108 11.549 1.00 0.00 C ATOM 673 C PRO A 42 -7.957 21.617 11.737 1.00 0.00 C ATOM 674 O PRO A 42 -8.747 22.392 11.205 1.00 0.00 O ATOM 675 CB PRO A 42 -9.547 19.664 11.737 1.00 0.00 C ATOM 676 CG PRO A 42 -9.657 19.272 13.172 1.00 0.00 C ATOM 677 CD PRO A 42 -8.286 18.830 13.616 1.00 0.00 C ATOM 0 HA PRO A 42 -7.706 19.918 10.549 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -10.239 20.471 11.496 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -9.790 18.828 11.081 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -10.006 20.111 13.775 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -10.381 18.467 13.297 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -8.037 19.233 14.598 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -8.223 17.744 13.691 1.00 0.00 H new ATOM 685 N ARG A 43 -6.935 22.035 12.477 1.00 0.00 N ATOM 686 CA ARG A 43 -6.766 23.445 12.790 1.00 0.00 C ATOM 687 C ARG A 43 -5.403 23.969 12.345 1.00 0.00 C ATOM 688 O ARG A 43 -5.158 25.170 12.392 1.00 0.00 O ATOM 689 CB ARG A 43 -6.941 23.700 14.288 1.00 0.00 C ATOM 690 CG ARG A 43 -5.858 23.078 15.158 1.00 0.00 C ATOM 691 CD ARG A 43 -6.183 21.642 15.544 1.00 0.00 C ATOM 692 NE ARG A 43 -5.110 21.044 16.341 1.00 0.00 N ATOM 693 CZ ARG A 43 -5.278 20.044 17.205 1.00 0.00 C ATOM 694 NH1 ARG A 43 -6.472 19.493 17.381 1.00 0.00 N ATOM 695 NH2 ARG A 43 -4.240 19.590 17.899 1.00 0.00 N ATOM 0 H ARG A 43 -6.219 21.422 12.867 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.538 23.981 12.239 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -6.958 24.776 14.462 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.910 23.311 14.600 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.908 23.103 14.625 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -5.732 23.675 16.061 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.114 21.618 16.110 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -6.342 21.049 14.643 1.00 0.00 H new ATOM 0 HE ARG A 43 -4.168 21.419 16.227 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -7.274 19.834 16.852 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -6.588 18.728 18.046 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -3.318 20.007 17.769 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.365 18.824 18.561 1.00 0.00 H new ATOM 709 N ALA A 44 -4.516 23.078 11.922 1.00 0.00 N ATOM 710 CA ALA A 44 -3.194 23.497 11.485 1.00 0.00 C ATOM 711 C ALA A 44 -3.095 23.436 9.970 1.00 0.00 C ATOM 712 O ALA A 44 -2.013 23.540 9.397 1.00 0.00 O ATOM 713 CB ALA A 44 -2.114 22.656 12.145 1.00 0.00 C ATOM 0 H ALA A 44 -4.686 22.073 11.873 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.038 24.531 11.792 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.134 22.988 11.802 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.177 22.767 13.227 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.255 21.608 11.879 1.00 0.00 H new ATOM 719 N GLY A 45 -4.246 23.249 9.339 1.00 0.00 N ATOM 720 CA GLY A 45 -4.343 23.317 7.895 1.00 0.00 C ATOM 721 C GLY A 45 -3.664 22.164 7.200 1.00 0.00 C ATOM 722 O GLY A 45 -2.992 22.350 6.189 1.00 0.00 O ATOM 0 H GLY A 45 -5.128 23.048 9.811 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.394 23.338 7.608 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.901 24.252 7.551 1.00 0.00 H new ATOM 726 N LEU A 46 -3.835 20.970 7.738 1.00 0.00 N ATOM 727 CA LEU A 46 -3.225 19.788 7.158 1.00 0.00 C ATOM 728 C LEU A 46 -4.046 19.294 5.977 1.00 0.00 C ATOM 729 O LEU A 46 -4.835 18.356 6.085 1.00 0.00 O ATOM 730 CB LEU A 46 -3.064 18.689 8.208 1.00 0.00 C ATOM 731 CG LEU A 46 -2.136 19.057 9.374 1.00 0.00 C ATOM 732 CD1 LEU A 46 -2.845 19.902 10.404 1.00 0.00 C ATOM 733 CD2 LEU A 46 -1.556 17.815 10.023 1.00 0.00 C ATOM 0 H LEU A 46 -4.391 20.794 8.575 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.231 20.054 6.798 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.047 18.438 8.607 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.679 17.793 7.722 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.318 19.646 8.959 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.156 20.143 11.214 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.195 20.824 9.940 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.696 19.351 10.803 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.903 18.106 10.846 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.365 17.192 10.405 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.983 17.253 9.286 1.00 0.00 H new ATOM 745 N GLU A 47 -3.864 19.960 4.855 1.00 0.00 N ATOM 746 CA GLU A 47 -4.544 19.623 3.631 1.00 0.00 C ATOM 747 C GLU A 47 -3.603 18.856 2.712 1.00 0.00 C ATOM 748 O GLU A 47 -2.430 19.210 2.585 1.00 0.00 O ATOM 749 CB GLU A 47 -5.051 20.900 2.962 1.00 0.00 C ATOM 750 CG GLU A 47 -4.038 22.032 2.981 1.00 0.00 C ATOM 751 CD GLU A 47 -4.560 23.306 2.357 1.00 0.00 C ATOM 752 OE1 GLU A 47 -4.824 23.314 1.138 1.00 0.00 O ATOM 753 OE2 GLU A 47 -4.699 24.316 3.083 1.00 0.00 O ATOM 0 H GLU A 47 -3.233 20.757 4.771 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.400 18.984 3.847 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.319 20.679 1.929 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.961 21.228 3.464 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.746 22.233 4.012 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.140 21.716 2.451 1.00 0.00 H new ATOM 760 N LYS A 48 -4.118 17.798 2.101 1.00 0.00 N ATOM 761 CA LYS A 48 -3.330 16.934 1.225 1.00 0.00 C ATOM 762 C LYS A 48 -2.008 16.513 1.851 1.00 0.00 C ATOM 763 O LYS A 48 -1.986 15.700 2.768 1.00 0.00 O ATOM 764 CB LYS A 48 -3.059 17.580 -0.128 1.00 0.00 C ATOM 765 CG LYS A 48 -4.136 17.308 -1.153 1.00 0.00 C ATOM 766 CD LYS A 48 -3.623 17.547 -2.564 1.00 0.00 C ATOM 767 CE LYS A 48 -2.373 16.719 -2.860 1.00 0.00 C ATOM 768 NZ LYS A 48 -2.589 15.263 -2.632 1.00 0.00 N ATOM 0 H LYS A 48 -5.093 17.512 2.197 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.941 16.044 1.077 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.960 18.657 0.006 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.105 17.217 -0.510 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.481 16.278 -1.058 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.995 17.951 -0.961 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.404 17.296 -3.282 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.398 18.605 -2.695 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.070 16.881 -3.894 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.554 17.065 -2.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.889 14.719 -3.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.482 15.051 -1.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.547 15.001 -2.942 1.00 0.00 H new ATOM 782 N ASN A 49 -0.916 17.099 1.372 1.00 0.00 N ATOM 783 CA ASN A 49 0.415 16.716 1.802 1.00 0.00 C ATOM 784 C ASN A 49 1.309 17.936 1.926 1.00 0.00 C ATOM 785 O ASN A 49 2.522 17.816 2.073 1.00 0.00 O ATOM 786 CB ASN A 49 1.033 15.714 0.821 1.00 0.00 C ATOM 787 CG ASN A 49 1.271 16.276 -0.571 1.00 0.00 C ATOM 788 OD1 ASN A 49 0.518 17.123 -1.058 1.00 0.00 O ATOM 789 ND2 ASN A 49 2.330 15.805 -1.225 1.00 0.00 N ATOM 0 H ASN A 49 -0.932 17.848 0.679 1.00 0.00 H new ATOM 0 HA ASN A 49 0.330 16.242 2.780 1.00 0.00 H new ATOM 0 HB2 ASN A 49 1.982 15.363 1.227 1.00 0.00 H new ATOM 0 HB3 ASN A 49 0.378 14.846 0.744 1.00 0.00 H new ATOM 0 HD21 ASN A 49 2.543 16.144 -2.163 1.00 0.00 H new ATOM 0 HD22 ASN A 49 2.929 15.105 -0.788 1.00 0.00 H new ATOM 796 N TYR A 50 0.702 19.112 1.869 1.00 0.00 N ATOM 797 CA TYR A 50 1.449 20.358 2.003 1.00 0.00 C ATOM 798 C TYR A 50 2.024 20.437 3.407 1.00 0.00 C ATOM 799 O TYR A 50 1.305 20.208 4.377 1.00 0.00 O ATOM 800 CB TYR A 50 0.541 21.564 1.754 1.00 0.00 C ATOM 801 CG TYR A 50 -0.358 21.427 0.544 1.00 0.00 C ATOM 802 CD1 TYR A 50 0.144 21.474 -0.750 1.00 0.00 C ATOM 803 CD2 TYR A 50 -1.721 21.260 0.707 1.00 0.00 C ATOM 804 CE1 TYR A 50 -0.694 21.351 -1.845 1.00 0.00 C ATOM 805 CE2 TYR A 50 -2.564 21.134 -0.373 1.00 0.00 C ATOM 806 CZ TYR A 50 -2.050 21.181 -1.647 1.00 0.00 C ATOM 807 OH TYR A 50 -2.894 21.061 -2.728 1.00 0.00 O ATOM 0 H TYR A 50 -0.302 19.232 1.732 1.00 0.00 H new ATOM 0 HA TYR A 50 2.251 20.373 1.265 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -0.079 21.726 2.636 1.00 0.00 H new ATOM 0 HB3 TYR A 50 1.161 22.452 1.633 1.00 0.00 H new ATOM 0 HD1 TYR A 50 1.204 21.609 -0.904 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.133 21.228 1.705 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.290 21.388 -2.846 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.625 20.999 -0.221 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.815 20.947 -2.413 1.00 0.00 H new ATOM 817 N CYS A 51 3.311 20.750 3.512 1.00 0.00 N ATOM 818 CA CYS A 51 3.994 20.776 4.792 1.00 0.00 C ATOM 819 C CYS A 51 3.246 21.633 5.789 1.00 0.00 C ATOM 820 O CYS A 51 2.649 22.647 5.426 1.00 0.00 O ATOM 821 CB CYS A 51 5.412 21.298 4.613 1.00 0.00 C ATOM 822 SG CYS A 51 6.439 20.247 3.545 1.00 0.00 S ATOM 0 H CYS A 51 3.903 20.990 2.717 1.00 0.00 H new ATOM 0 HA CYS A 51 4.032 19.758 5.181 1.00 0.00 H new ATOM 0 HB2 CYS A 51 5.371 22.302 4.191 1.00 0.00 H new ATOM 0 HB3 CYS A 51 5.886 21.383 5.591 1.00 0.00 H new ATOM 827 N ARG A 52 3.274 21.219 7.041 1.00 0.00 N ATOM 828 CA ARG A 52 2.547 21.901 8.093 1.00 0.00 C ATOM 829 C ARG A 52 3.269 21.757 9.402 1.00 0.00 C ATOM 830 O ARG A 52 4.205 20.975 9.517 1.00 0.00 O ATOM 831 CB ARG A 52 1.130 21.345 8.240 1.00 0.00 C ATOM 832 CG ARG A 52 0.164 21.899 7.222 1.00 0.00 C ATOM 833 CD ARG A 52 0.346 23.397 7.093 1.00 0.00 C ATOM 834 NE ARG A 52 -0.715 24.006 6.323 1.00 0.00 N ATOM 835 CZ ARG A 52 -0.628 24.308 5.024 1.00 0.00 C ATOM 836 NH1 ARG A 52 0.480 24.039 4.342 1.00 0.00 N ATOM 837 NH2 ARG A 52 -1.659 24.863 4.405 1.00 0.00 N ATOM 0 H ARG A 52 3.799 20.404 7.356 1.00 0.00 H new ATOM 0 HA ARG A 52 2.484 22.954 7.819 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.162 20.259 8.148 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.761 21.569 9.241 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.327 21.421 6.256 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.860 21.674 7.520 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.377 23.845 8.086 1.00 0.00 H new ATOM 0 HD3 ARG A 52 1.305 23.606 6.619 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.589 24.220 6.803 1.00 0.00 H new ATOM 0 HH11 ARG A 52 1.272 23.599 4.810 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.538 24.273 3.351 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.517 25.059 4.920 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.594 25.094 3.414 1.00 0.00 H new ATOM 851 N ASN A 53 2.846 22.512 10.390 1.00 0.00 N ATOM 852 CA ASN A 53 3.366 22.309 11.719 1.00 0.00 C ATOM 853 C ASN A 53 2.223 22.189 12.710 1.00 0.00 C ATOM 854 O ASN A 53 1.920 23.135 13.430 1.00 0.00 O ATOM 855 CB ASN A 53 4.304 23.436 12.131 1.00 0.00 C ATOM 856 CG ASN A 53 5.323 22.960 13.138 1.00 0.00 C ATOM 857 OD1 ASN A 53 5.142 21.917 13.767 1.00 0.00 O ATOM 858 ND2 ASN A 53 6.375 23.732 13.327 1.00 0.00 N ATOM 0 H ASN A 53 2.156 23.258 10.301 1.00 0.00 H new ATOM 0 HA ASN A 53 3.941 21.383 11.717 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.814 23.827 11.251 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.726 24.257 12.555 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.080 23.473 14.017 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.484 24.588 12.783 1.00 0.00 H new ATOM 865 N PRO A 54 1.568 21.015 12.760 1.00 0.00 N ATOM 866 CA PRO A 54 0.476 20.778 13.693 1.00 0.00 C ATOM 867 C PRO A 54 0.977 20.618 15.120 1.00 0.00 C ATOM 868 O PRO A 54 0.195 20.590 16.071 1.00 0.00 O ATOM 869 CB PRO A 54 -0.184 19.500 13.183 1.00 0.00 C ATOM 870 CG PRO A 54 0.867 18.793 12.401 1.00 0.00 C ATOM 871 CD PRO A 54 1.835 19.843 11.910 1.00 0.00 C ATOM 0 HA PRO A 54 -0.220 21.616 13.733 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.538 18.885 14.010 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -1.050 19.727 12.561 1.00 0.00 H new ATOM 0 HG2 PRO A 54 1.379 18.057 13.021 1.00 0.00 H new ATOM 0 HG3 PRO A 54 0.426 18.253 11.563 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.868 19.508 12.008 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.673 20.071 10.857 1.00 0.00 H new ATOM 879 N ASP A 55 2.288 20.507 15.254 1.00 0.00 N ATOM 880 CA ASP A 55 2.930 20.511 16.557 1.00 0.00 C ATOM 881 C ASP A 55 3.291 21.933 16.909 1.00 0.00 C ATOM 882 O ASP A 55 3.250 22.349 18.066 1.00 0.00 O ATOM 883 CB ASP A 55 4.221 19.693 16.528 1.00 0.00 C ATOM 884 CG ASP A 55 4.724 19.340 17.915 1.00 0.00 C ATOM 885 OD1 ASP A 55 5.448 20.161 18.520 1.00 0.00 O ATOM 886 OD2 ASP A 55 4.405 18.237 18.403 1.00 0.00 O ATOM 0 H ASP A 55 2.933 20.412 14.469 1.00 0.00 H new ATOM 0 HA ASP A 55 2.245 20.079 17.286 1.00 0.00 H new ATOM 0 HB2 ASP A 55 4.052 18.776 15.963 1.00 0.00 H new ATOM 0 HB3 ASP A 55 4.991 20.256 16.000 1.00 0.00 H new ATOM 891 N GLY A 56 3.607 22.680 15.864 1.00 0.00 N ATOM 892 CA GLY A 56 4.265 23.948 16.010 1.00 0.00 C ATOM 893 C GLY A 56 5.629 23.761 16.606 1.00 0.00 C ATOM 894 O GLY A 56 6.072 24.561 17.423 1.00 0.00 O ATOM 0 H GLY A 56 3.411 22.417 14.898 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.349 24.436 15.039 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.670 24.603 16.646 1.00 0.00 H new ATOM 898 N ASP A 57 6.271 22.661 16.208 1.00 0.00 N ATOM 899 CA ASP A 57 7.656 22.396 16.568 1.00 0.00 C ATOM 900 C ASP A 57 8.498 23.640 16.334 1.00 0.00 C ATOM 901 O ASP A 57 8.397 24.272 15.279 1.00 0.00 O ATOM 902 CB ASP A 57 8.222 21.254 15.723 1.00 0.00 C ATOM 903 CG ASP A 57 9.468 20.646 16.334 1.00 0.00 C ATOM 904 OD1 ASP A 57 10.536 21.281 16.275 1.00 0.00 O ATOM 905 OD2 ASP A 57 9.379 19.530 16.893 1.00 0.00 O ATOM 0 H ASP A 57 5.845 21.936 15.631 1.00 0.00 H new ATOM 0 HA ASP A 57 7.687 22.116 17.621 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.463 20.480 15.607 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.454 21.625 14.725 1.00 0.00 H new ATOM 910 N VAL A 58 9.337 23.976 17.305 1.00 0.00 N ATOM 911 CA VAL A 58 10.174 25.168 17.229 1.00 0.00 C ATOM 912 C VAL A 58 11.270 24.991 16.169 1.00 0.00 C ATOM 913 O VAL A 58 12.079 25.888 15.921 1.00 0.00 O ATOM 914 CB VAL A 58 10.808 25.487 18.607 1.00 0.00 C ATOM 915 CG1 VAL A 58 11.454 26.865 18.615 1.00 0.00 C ATOM 916 CG2 VAL A 58 9.763 25.386 19.708 1.00 0.00 C ATOM 0 H VAL A 58 9.457 23.435 18.162 1.00 0.00 H new ATOM 0 HA VAL A 58 9.540 26.007 16.940 1.00 0.00 H new ATOM 0 HB VAL A 58 11.589 24.750 18.793 1.00 0.00 H new ATOM 0 HG11 VAL A 58 11.889 27.057 19.596 1.00 0.00 H new ATOM 0 HG12 VAL A 58 12.236 26.905 17.857 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.700 27.622 18.398 1.00 0.00 H new ATOM 0 HG21 VAL A 58 10.224 25.613 20.669 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.960 26.097 19.514 1.00 0.00 H new ATOM 0 HG23 VAL A 58 9.355 24.375 19.731 1.00 0.00 H new ATOM 926 N GLY A 59 11.268 23.834 15.522 1.00 0.00 N ATOM 927 CA GLY A 59 12.221 23.565 14.481 1.00 0.00 C ATOM 928 C GLY A 59 11.674 23.963 13.134 1.00 0.00 C ATOM 929 O GLY A 59 12.429 24.162 12.181 1.00 0.00 O ATOM 0 H GLY A 59 10.613 23.074 15.707 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.144 24.110 14.678 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.471 22.504 14.477 1.00 0.00 H new ATOM 933 N GLY A 60 10.353 24.084 13.046 1.00 0.00 N ATOM 934 CA GLY A 60 9.755 24.500 11.805 1.00 0.00 C ATOM 935 C GLY A 60 8.764 23.484 11.305 1.00 0.00 C ATOM 936 O GLY A 60 8.557 22.456 11.951 1.00 0.00 O ATOM 0 H GLY A 60 9.698 23.902 13.806 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.256 25.459 11.943 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.533 24.650 11.057 1.00 0.00 H new ATOM 940 N PRO A 61 8.136 23.737 10.155 1.00 0.00 N ATOM 941 CA PRO A 61 7.112 22.859 9.625 1.00 0.00 C ATOM 942 C PRO A 61 7.699 21.581 9.068 1.00 0.00 C ATOM 943 O PRO A 61 8.876 21.513 8.700 1.00 0.00 O ATOM 944 CB PRO A 61 6.464 23.681 8.525 1.00 0.00 C ATOM 945 CG PRO A 61 7.539 24.583 8.067 1.00 0.00 C ATOM 946 CD PRO A 61 8.394 24.880 9.269 1.00 0.00 C ATOM 0 HA PRO A 61 6.407 22.540 10.393 1.00 0.00 H new ATOM 0 HB2 PRO A 61 6.103 23.048 7.715 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.606 24.241 8.898 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.128 24.114 7.279 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.123 25.501 7.651 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.449 24.954 9.004 1.00 0.00 H new ATOM 0 HD3 PRO A 61 8.116 25.824 9.738 1.00 0.00 H new ATOM 954 N TRP A 62 6.858 20.587 8.986 1.00 0.00 N ATOM 955 CA TRP A 62 7.275 19.249 8.680 1.00 0.00 C ATOM 956 C TRP A 62 6.149 18.537 7.971 1.00 0.00 C ATOM 957 O TRP A 62 5.165 19.160 7.565 1.00 0.00 O ATOM 958 CB TRP A 62 7.626 18.521 9.980 1.00 0.00 C ATOM 959 CG TRP A 62 6.519 18.572 10.986 1.00 0.00 C ATOM 960 CD1 TRP A 62 6.154 19.646 11.731 1.00 0.00 C ATOM 961 CD2 TRP A 62 5.633 17.515 11.349 1.00 0.00 C ATOM 962 NE1 TRP A 62 5.081 19.329 12.525 1.00 0.00 N ATOM 963 CE2 TRP A 62 4.751 18.024 12.318 1.00 0.00 C ATOM 964 CE3 TRP A 62 5.497 16.191 10.951 1.00 0.00 C ATOM 965 CZ2 TRP A 62 3.750 17.257 12.894 1.00 0.00 C ATOM 966 CZ3 TRP A 62 4.502 15.427 11.525 1.00 0.00 C ATOM 967 CH2 TRP A 62 3.641 15.962 12.486 1.00 0.00 C ATOM 0 H TRP A 62 5.853 20.686 9.132 1.00 0.00 H new ATOM 0 HA TRP A 62 8.154 19.265 8.035 1.00 0.00 H new ATOM 0 HB2 TRP A 62 7.861 17.480 9.757 1.00 0.00 H new ATOM 0 HB3 TRP A 62 8.523 18.966 10.410 1.00 0.00 H new ATOM 0 HD1 TRP A 62 6.638 20.611 11.703 1.00 0.00 H new ATOM 0 HE1 TRP A 62 4.608 19.966 13.166 1.00 0.00 H new ATOM 0 HE3 TRP A 62 6.157 15.768 10.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 3.083 17.670 13.637 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 4.387 14.396 11.226 1.00 0.00 H new ATOM 0 HH2 TRP A 62 2.873 15.336 12.915 1.00 0.00 H new ATOM 978 N CYS A 63 6.301 17.248 7.825 1.00 0.00 N ATOM 979 CA CYS A 63 5.293 16.426 7.209 1.00 0.00 C ATOM 980 C CYS A 63 5.623 14.967 7.436 1.00 0.00 C ATOM 981 O CYS A 63 6.582 14.640 8.128 1.00 0.00 O ATOM 982 CB CYS A 63 5.200 16.736 5.715 1.00 0.00 C ATOM 983 SG CYS A 63 6.710 16.363 4.767 1.00 0.00 S ATOM 0 H CYS A 63 7.129 16.737 8.130 1.00 0.00 H new ATOM 0 HA CYS A 63 4.324 16.641 7.660 1.00 0.00 H new ATOM 0 HB2 CYS A 63 4.371 16.169 5.291 1.00 0.00 H new ATOM 0 HB3 CYS A 63 4.961 17.792 5.591 1.00 0.00 H new ATOM 988 N TYR A 64 4.822 14.096 6.868 1.00 0.00 N ATOM 989 CA TYR A 64 5.147 12.690 6.826 1.00 0.00 C ATOM 990 C TYR A 64 5.688 12.419 5.454 1.00 0.00 C ATOM 991 O TYR A 64 5.279 13.077 4.509 1.00 0.00 O ATOM 992 CB TYR A 64 3.919 11.844 7.131 1.00 0.00 C ATOM 993 CG TYR A 64 3.506 11.949 8.576 1.00 0.00 C ATOM 994 CD1 TYR A 64 4.127 11.171 9.541 1.00 0.00 C ATOM 995 CD2 TYR A 64 2.514 12.830 8.978 1.00 0.00 C ATOM 996 CE1 TYR A 64 3.769 11.264 10.868 1.00 0.00 C ATOM 997 CE2 TYR A 64 2.150 12.930 10.305 1.00 0.00 C ATOM 998 CZ TYR A 64 2.780 12.143 11.245 1.00 0.00 C ATOM 999 OH TYR A 64 2.423 12.233 12.563 1.00 0.00 O ATOM 0 H TYR A 64 3.935 14.339 6.426 1.00 0.00 H new ATOM 0 HA TYR A 64 5.887 12.428 7.582 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.093 12.161 6.494 1.00 0.00 H new ATOM 0 HB3 TYR A 64 4.127 10.802 6.888 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.904 10.481 9.248 1.00 0.00 H new ATOM 0 HD2 TYR A 64 2.019 13.447 8.242 1.00 0.00 H new ATOM 0 HE1 TYR A 64 4.262 10.651 11.608 1.00 0.00 H new ATOM 0 HE2 TYR A 64 1.376 13.621 10.605 1.00 0.00 H new ATOM 0 HH TYR A 64 2.431 13.173 12.841 1.00 0.00 H new ATOM 1009 N THR A 65 6.613 11.502 5.316 1.00 0.00 N ATOM 1010 CA THR A 65 7.298 11.393 4.051 1.00 0.00 C ATOM 1011 C THR A 65 6.718 10.250 3.254 1.00 0.00 C ATOM 1012 O THR A 65 6.206 9.288 3.819 1.00 0.00 O ATOM 1013 CB THR A 65 8.812 11.171 4.231 1.00 0.00 C ATOM 1014 OG1 THR A 65 9.078 9.784 4.444 1.00 0.00 O ATOM 1015 CG2 THR A 65 9.352 11.970 5.407 1.00 0.00 C ATOM 0 H THR A 65 6.903 10.840 6.036 1.00 0.00 H new ATOM 0 HA THR A 65 7.157 12.335 3.520 1.00 0.00 H new ATOM 0 HB THR A 65 9.310 11.511 3.323 1.00 0.00 H new ATOM 0 HG1 THR A 65 9.174 9.613 5.404 1.00 0.00 H new ATOM 0 HG21 THR A 65 10.423 11.792 5.507 1.00 0.00 H new ATOM 0 HG22 THR A 65 9.175 13.032 5.237 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.845 11.660 6.321 1.00 0.00 H new ATOM 1023 N THR A 66 6.752 10.372 1.943 1.00 0.00 N ATOM 1024 CA THR A 66 6.474 9.239 1.086 1.00 0.00 C ATOM 1025 C THR A 66 7.738 8.376 0.933 1.00 0.00 C ATOM 1026 O THR A 66 7.898 7.640 -0.039 1.00 0.00 O ATOM 1027 CB THR A 66 5.971 9.702 -0.296 1.00 0.00 C ATOM 1028 OG1 THR A 66 6.927 10.588 -0.896 1.00 0.00 O ATOM 1029 CG2 THR A 66 4.632 10.418 -0.178 1.00 0.00 C ATOM 0 H THR A 66 6.968 11.239 1.450 1.00 0.00 H new ATOM 0 HA THR A 66 5.688 8.642 1.548 1.00 0.00 H new ATOM 0 HB THR A 66 5.844 8.818 -0.920 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.943 11.434 -0.402 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.300 10.734 -1.167 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.894 9.741 0.253 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.742 11.292 0.464 1.00 0.00 H new ATOM 1037 N ASN A 67 8.618 8.479 1.928 1.00 0.00 N ATOM 1038 CA ASN A 67 9.914 7.811 1.928 1.00 0.00 C ATOM 1039 C ASN A 67 9.906 6.663 2.932 1.00 0.00 C ATOM 1040 O ASN A 67 9.730 6.884 4.128 1.00 0.00 O ATOM 1041 CB ASN A 67 10.991 8.829 2.317 1.00 0.00 C ATOM 1042 CG ASN A 67 12.406 8.315 2.224 1.00 0.00 C ATOM 1043 OD1 ASN A 67 12.661 7.117 2.230 1.00 0.00 O ATOM 1044 ND2 ASN A 67 13.345 9.241 2.173 1.00 0.00 N ATOM 0 H ASN A 67 8.447 9.036 2.765 1.00 0.00 H new ATOM 0 HA ASN A 67 10.122 7.409 0.936 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.894 9.704 1.675 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.806 9.161 3.338 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.328 8.970 2.137 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.088 10.228 2.170 1.00 0.00 H new ATOM 1051 N PRO A 68 10.099 5.422 2.469 1.00 0.00 N ATOM 1052 CA PRO A 68 10.075 4.234 3.334 1.00 0.00 C ATOM 1053 C PRO A 68 11.256 4.159 4.304 1.00 0.00 C ATOM 1054 O PRO A 68 11.436 3.163 5.006 1.00 0.00 O ATOM 1055 CB PRO A 68 10.107 3.058 2.346 1.00 0.00 C ATOM 1056 CG PRO A 68 9.817 3.653 1.008 1.00 0.00 C ATOM 1057 CD PRO A 68 10.328 5.063 1.064 1.00 0.00 C ATOM 0 HA PRO A 68 9.198 4.241 3.982 1.00 0.00 H new ATOM 0 HB2 PRO A 68 11.079 2.565 2.354 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.365 2.304 2.609 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.310 3.090 0.215 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.748 3.633 0.795 1.00 0.00 H new ATOM 0 HD2 PRO A 68 11.382 5.125 0.795 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.786 5.719 0.383 1.00 0.00 H new ATOM 1065 N ARG A 69 12.065 5.202 4.334 1.00 0.00 N ATOM 1066 CA ARG A 69 13.141 5.303 5.301 1.00 0.00 C ATOM 1067 C ARG A 69 12.661 5.889 6.622 1.00 0.00 C ATOM 1068 O ARG A 69 12.933 5.337 7.687 1.00 0.00 O ATOM 1069 CB ARG A 69 14.262 6.165 4.745 1.00 0.00 C ATOM 1070 CG ARG A 69 15.033 5.510 3.616 1.00 0.00 C ATOM 1071 CD ARG A 69 15.533 4.128 4.008 1.00 0.00 C ATOM 1072 NE ARG A 69 16.048 4.090 5.377 1.00 0.00 N ATOM 1073 CZ ARG A 69 17.308 3.810 5.693 1.00 0.00 C ATOM 1074 NH1 ARG A 69 18.221 3.672 4.740 1.00 0.00 N ATOM 1075 NH2 ARG A 69 17.651 3.695 6.967 1.00 0.00 N ATOM 0 H ARG A 69 11.996 5.995 3.696 1.00 0.00 H new ATOM 0 HA ARG A 69 13.506 4.294 5.490 1.00 0.00 H new ATOM 0 HB2 ARG A 69 13.842 7.106 4.388 1.00 0.00 H new ATOM 0 HB3 ARG A 69 14.954 6.410 5.551 1.00 0.00 H new ATOM 0 HG2 ARG A 69 14.394 5.431 2.736 1.00 0.00 H new ATOM 0 HG3 ARG A 69 15.879 6.139 3.340 1.00 0.00 H new ATOM 0 HD2 ARG A 69 14.720 3.409 3.908 1.00 0.00 H new ATOM 0 HD3 ARG A 69 16.319 3.819 3.318 1.00 0.00 H new ATOM 0 HE ARG A 69 15.398 4.291 6.137 1.00 0.00 H new ATOM 0 HH11 ARG A 69 17.957 3.781 3.761 1.00 0.00 H new ATOM 0 HH12 ARG A 69 19.187 3.457 4.987 1.00 0.00 H new ATOM 0 HH21 ARG A 69 16.950 3.821 7.697 1.00 0.00 H new ATOM 0 HH22 ARG A 69 18.616 3.480 7.218 1.00 0.00 H new ATOM 1089 N LYS A 70 11.946 7.002 6.557 1.00 0.00 N ATOM 1090 CA LYS A 70 11.524 7.698 7.766 1.00 0.00 C ATOM 1091 C LYS A 70 10.032 8.017 7.709 1.00 0.00 C ATOM 1092 O LYS A 70 9.470 8.235 6.641 1.00 0.00 O ATOM 1093 CB LYS A 70 12.348 8.982 7.977 1.00 0.00 C ATOM 1094 CG LYS A 70 12.122 10.074 6.932 1.00 0.00 C ATOM 1095 CD LYS A 70 13.014 9.904 5.712 1.00 0.00 C ATOM 1096 CE LYS A 70 14.480 10.186 6.027 1.00 0.00 C ATOM 1097 NZ LYS A 70 14.713 11.591 6.468 1.00 0.00 N ATOM 0 H LYS A 70 11.647 7.441 5.687 1.00 0.00 H new ATOM 0 HA LYS A 70 11.702 7.040 8.616 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.114 9.388 8.961 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.406 8.720 7.983 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.078 10.063 6.619 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.310 11.049 7.383 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.915 8.888 5.330 1.00 0.00 H new ATOM 0 HD3 LYS A 70 12.678 10.576 4.922 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.818 9.504 6.807 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.083 9.982 5.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.651 11.905 6.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 13.982 12.208 6.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.669 11.641 7.506 1.00 0.00 H new ATOM 1111 N LEU A 71 9.405 8.040 8.875 1.00 0.00 N ATOM 1112 CA LEU A 71 7.967 8.263 8.987 1.00 0.00 C ATOM 1113 C LEU A 71 7.627 9.727 8.787 1.00 0.00 C ATOM 1114 O LEU A 71 6.690 10.066 8.061 1.00 0.00 O ATOM 1115 CB LEU A 71 7.479 7.791 10.363 1.00 0.00 C ATOM 1116 CG LEU A 71 5.996 8.025 10.660 1.00 0.00 C ATOM 1117 CD1 LEU A 71 5.123 7.103 9.826 1.00 0.00 C ATOM 1118 CD2 LEU A 71 5.715 7.831 12.141 1.00 0.00 C ATOM 0 H LEU A 71 9.875 7.905 9.770 1.00 0.00 H new ATOM 0 HA LEU A 71 7.465 7.690 8.207 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.685 6.724 10.454 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.068 8.296 11.129 1.00 0.00 H new ATOM 0 HG LEU A 71 5.753 9.053 10.392 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.074 7.289 10.056 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.302 7.292 8.767 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.366 6.066 10.056 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.656 8.001 12.336 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.979 6.814 12.431 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.309 8.539 12.720 1.00 0.00 H new ATOM 1130 N TYR A 72 8.410 10.590 9.402 1.00 0.00 N ATOM 1131 CA TYR A 72 8.178 12.012 9.299 1.00 0.00 C ATOM 1132 C TYR A 72 9.506 12.738 9.240 1.00 0.00 C ATOM 1133 O TYR A 72 10.524 12.249 9.739 1.00 0.00 O ATOM 1134 CB TYR A 72 7.316 12.521 10.469 1.00 0.00 C ATOM 1135 CG TYR A 72 8.084 13.028 11.680 1.00 0.00 C ATOM 1136 CD1 TYR A 72 8.467 12.170 12.705 1.00 0.00 C ATOM 1137 CD2 TYR A 72 8.405 14.379 11.802 1.00 0.00 C ATOM 1138 CE1 TYR A 72 9.152 12.644 13.814 1.00 0.00 C ATOM 1139 CE2 TYR A 72 9.084 14.855 12.905 1.00 0.00 C ATOM 1140 CZ TYR A 72 9.456 13.988 13.906 1.00 0.00 C ATOM 1141 OH TYR A 72 10.127 14.468 15.009 1.00 0.00 O ATOM 0 H TYR A 72 9.211 10.330 9.977 1.00 0.00 H new ATOM 0 HA TYR A 72 7.625 12.214 8.382 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.678 13.325 10.103 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.658 11.713 10.790 1.00 0.00 H new ATOM 0 HD1 TYR A 72 8.228 11.119 12.637 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.117 15.065 11.019 1.00 0.00 H new ATOM 0 HE1 TYR A 72 9.446 11.966 14.601 1.00 0.00 H new ATOM 0 HE2 TYR A 72 9.323 15.905 12.982 1.00 0.00 H new ATOM 0 HH TYR A 72 10.262 15.434 14.915 1.00 0.00 H new ATOM 1151 N ASP A 73 9.484 13.894 8.625 1.00 0.00 N ATOM 1152 CA ASP A 73 10.688 14.675 8.397 1.00 0.00 C ATOM 1153 C ASP A 73 10.293 16.141 8.310 1.00 0.00 C ATOM 1154 O ASP A 73 9.118 16.448 8.148 1.00 0.00 O ATOM 1155 CB ASP A 73 11.346 14.213 7.092 1.00 0.00 C ATOM 1156 CG ASP A 73 12.824 14.534 7.001 1.00 0.00 C ATOM 1157 OD1 ASP A 73 13.331 15.304 7.842 1.00 0.00 O ATOM 1158 OD2 ASP A 73 13.491 13.987 6.091 1.00 0.00 O ATOM 0 H ASP A 73 8.633 14.326 8.265 1.00 0.00 H new ATOM 0 HA ASP A 73 11.401 14.540 9.210 1.00 0.00 H new ATOM 0 HB2 ASP A 73 11.211 13.136 6.990 1.00 0.00 H new ATOM 0 HB3 ASP A 73 10.831 14.679 6.252 1.00 0.00 H new ATOM 1163 N TYR A 74 11.255 17.033 8.412 1.00 0.00 N ATOM 1164 CA TYR A 74 10.963 18.458 8.399 1.00 0.00 C ATOM 1165 C TYR A 74 11.059 18.976 6.982 1.00 0.00 C ATOM 1166 O TYR A 74 11.726 18.373 6.154 1.00 0.00 O ATOM 1167 CB TYR A 74 11.942 19.217 9.299 1.00 0.00 C ATOM 1168 CG TYR A 74 11.813 18.880 10.774 1.00 0.00 C ATOM 1169 CD1 TYR A 74 12.460 17.771 11.306 1.00 0.00 C ATOM 1170 CD2 TYR A 74 11.040 19.661 11.634 1.00 0.00 C ATOM 1171 CE1 TYR A 74 12.345 17.449 12.644 1.00 0.00 C ATOM 1172 CE2 TYR A 74 10.922 19.341 12.975 1.00 0.00 C ATOM 1173 CZ TYR A 74 11.576 18.235 13.474 1.00 0.00 C ATOM 1174 OH TYR A 74 11.463 17.913 14.807 1.00 0.00 O ATOM 0 H TYR A 74 12.244 16.802 8.505 1.00 0.00 H new ATOM 0 HA TYR A 74 9.954 18.616 8.779 1.00 0.00 H new ATOM 0 HB2 TYR A 74 12.960 19.001 8.975 1.00 0.00 H new ATOM 0 HB3 TYR A 74 11.786 20.288 9.166 1.00 0.00 H new ATOM 0 HD1 TYR A 74 13.064 17.150 10.661 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.526 20.528 11.247 1.00 0.00 H new ATOM 0 HE1 TYR A 74 12.856 16.583 13.039 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.320 19.955 13.628 1.00 0.00 H new ATOM 0 HH TYR A 74 10.887 18.568 15.254 1.00 0.00 H new ATOM 1184 N CYS A 75 10.388 20.079 6.704 1.00 0.00 N ATOM 1185 CA CYS A 75 10.387 20.648 5.364 1.00 0.00 C ATOM 1186 C CYS A 75 11.280 21.876 5.302 1.00 0.00 C ATOM 1187 O CYS A 75 11.752 22.365 6.328 1.00 0.00 O ATOM 1188 CB CYS A 75 8.966 21.006 4.940 1.00 0.00 C ATOM 1189 SG CYS A 75 7.861 19.577 4.816 1.00 0.00 S ATOM 0 H CYS A 75 9.837 20.600 7.386 1.00 0.00 H new ATOM 0 HA CYS A 75 10.780 19.901 4.674 1.00 0.00 H new ATOM 0 HB2 CYS A 75 8.550 21.714 5.657 1.00 0.00 H new ATOM 0 HB3 CYS A 75 9.001 21.512 3.975 1.00 0.00 H new ATOM 1194 N ASP A 76 11.492 22.379 4.100 1.00 0.00 N ATOM 1195 CA ASP A 76 12.389 23.500 3.891 1.00 0.00 C ATOM 1196 C ASP A 76 11.621 24.680 3.304 1.00 0.00 C ATOM 1197 O ASP A 76 11.888 25.128 2.188 1.00 0.00 O ATOM 1198 CB ASP A 76 13.542 23.080 2.968 1.00 0.00 C ATOM 1199 CG ASP A 76 14.614 24.149 2.833 1.00 0.00 C ATOM 1200 OD1 ASP A 76 15.293 24.451 3.835 1.00 0.00 O ATOM 1201 OD2 ASP A 76 14.801 24.671 1.712 1.00 0.00 O ATOM 0 H ASP A 76 11.053 22.027 3.250 1.00 0.00 H new ATOM 0 HA ASP A 76 12.810 23.810 4.847 1.00 0.00 H new ATOM 0 HB2 ASP A 76 13.994 22.166 3.354 1.00 0.00 H new ATOM 0 HB3 ASP A 76 13.143 22.846 1.981 1.00 0.00 H new ATOM 1206 N VAL A 77 10.632 25.157 4.049 1.00 0.00 N ATOM 1207 CA VAL A 77 9.873 26.325 3.637 1.00 0.00 C ATOM 1208 C VAL A 77 10.330 27.561 4.411 1.00 0.00 C ATOM 1209 O VAL A 77 10.458 27.540 5.633 1.00 0.00 O ATOM 1210 CB VAL A 77 8.350 26.113 3.793 1.00 0.00 C ATOM 1211 CG1 VAL A 77 8.005 25.563 5.155 1.00 0.00 C ATOM 1212 CG2 VAL A 77 7.590 27.400 3.527 1.00 0.00 C ATOM 0 H VAL A 77 10.339 24.753 4.939 1.00 0.00 H new ATOM 0 HA VAL A 77 10.068 26.483 2.576 1.00 0.00 H new ATOM 0 HB VAL A 77 8.046 25.377 3.049 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.926 25.426 5.230 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.503 24.604 5.297 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.336 26.261 5.924 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.521 27.222 3.644 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.910 28.164 4.235 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.793 27.739 2.511 1.00 0.00 H new ATOM 1222 N PRO A 78 10.602 28.637 3.668 1.00 0.00 N ATOM 1223 CA PRO A 78 11.119 29.912 4.196 1.00 0.00 C ATOM 1224 C PRO A 78 10.214 30.577 5.208 1.00 0.00 C ATOM 1225 O PRO A 78 9.017 30.292 5.303 1.00 0.00 O ATOM 1226 CB PRO A 78 11.223 30.794 2.944 1.00 0.00 C ATOM 1227 CG PRO A 78 10.331 30.144 1.938 1.00 0.00 C ATOM 1228 CD PRO A 78 10.437 28.684 2.213 1.00 0.00 C ATOM 0 HA PRO A 78 12.055 29.754 4.732 1.00 0.00 H new ATOM 0 HB2 PRO A 78 10.904 31.815 3.153 1.00 0.00 H new ATOM 0 HB3 PRO A 78 12.250 30.848 2.584 1.00 0.00 H new ATOM 0 HG2 PRO A 78 9.303 30.491 2.040 1.00 0.00 H new ATOM 0 HG3 PRO A 78 10.647 30.378 0.921 1.00 0.00 H new ATOM 0 HD2 PRO A 78 9.546 28.146 1.890 1.00 0.00 H new ATOM 0 HD3 PRO A 78 11.285 28.236 1.695 1.00 0.00 H new ATOM 1236 N GLN A 79 10.819 31.476 5.965 1.00 0.00 N ATOM 1237 CA GLN A 79 10.126 32.218 6.987 1.00 0.00 C ATOM 1238 C GLN A 79 9.259 33.309 6.374 1.00 0.00 C ATOM 1239 O GLN A 79 9.756 34.278 5.799 1.00 0.00 O ATOM 1240 CB GLN A 79 11.130 32.815 7.974 1.00 0.00 C ATOM 1241 CG GLN A 79 10.469 33.628 9.052 1.00 0.00 C ATOM 1242 CD GLN A 79 9.462 32.812 9.821 1.00 0.00 C ATOM 1243 OE1 GLN A 79 8.434 33.334 10.221 1.00 0.00 O ATOM 1244 NE2 GLN A 79 9.751 31.521 10.007 1.00 0.00 N ATOM 0 H GLN A 79 11.809 31.708 5.882 1.00 0.00 H new ATOM 0 HA GLN A 79 9.470 31.534 7.526 1.00 0.00 H new ATOM 0 HB2 GLN A 79 11.705 32.011 8.432 1.00 0.00 H new ATOM 0 HB3 GLN A 79 11.837 33.444 7.432 1.00 0.00 H new ATOM 0 HG2 GLN A 79 11.226 34.012 9.736 1.00 0.00 H new ATOM 0 HG3 GLN A 79 9.975 34.492 8.607 1.00 0.00 H new ATOM 0 HE21 GLN A 79 10.626 31.138 9.650 1.00 0.00 H new ATOM 0 HE22 GLN A 79 9.096 30.919 10.506 1.00 0.00 H new ATOM 1253 N CYS A 80 7.959 33.125 6.497 1.00 0.00 N ATOM 1254 CA CYS A 80 6.987 34.069 5.988 1.00 0.00 C ATOM 1255 C CYS A 80 6.919 35.279 6.904 1.00 0.00 C ATOM 1256 O CYS A 80 6.858 36.419 6.452 1.00 0.00 O ATOM 1257 CB CYS A 80 5.614 33.406 5.906 1.00 0.00 C ATOM 1258 SG CYS A 80 4.637 33.854 4.438 1.00 0.00 S ATOM 0 H CYS A 80 7.547 32.312 6.955 1.00 0.00 H new ATOM 0 HA CYS A 80 7.289 34.390 4.991 1.00 0.00 H new ATOM 0 HB2 CYS A 80 5.747 32.324 5.920 1.00 0.00 H new ATOM 0 HB3 CYS A 80 5.045 33.669 6.798 1.00 0.00 H new ATOM 1263 N ALA A 81 6.949 35.014 8.205 1.00 0.00 N ATOM 1264 CA ALA A 81 6.846 36.077 9.203 1.00 0.00 C ATOM 1265 C ALA A 81 8.212 36.677 9.514 1.00 0.00 C ATOM 1266 O ALA A 81 8.698 36.604 10.645 1.00 0.00 O ATOM 1267 CB ALA A 81 6.189 35.559 10.474 1.00 0.00 C ATOM 0 H ALA A 81 7.043 34.076 8.595 1.00 0.00 H new ATOM 0 HA ALA A 81 6.220 36.866 8.786 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.122 36.366 11.204 1.00 0.00 H new ATOM 0 HB2 ALA A 81 5.188 35.194 10.244 1.00 0.00 H new ATOM 0 HB3 ALA A 81 6.786 34.745 10.886 1.00 0.00 H new