USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 982 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 SER OG : rot -36:sc= 0.201 USER MOD Single : A 7 THR OG1 : rot 39:sc= 0.15 USER MOD Single : A 8 THR OG1 : rot -150:sc= -0.0316 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -4.38! C(o=-4.4!,f=-4.1!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0635 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -142:sc= -0.115 (180deg=-0.54) USER MOD Single : A 35 SER OG : rot 180:sc= 0.00958 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.0185 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -5.28! C(o=-5.3!,f=-14!) USER MOD Single : A 48 GLN :FLIP amide:sc= -0.462 F(o=-2.8!,f=-0.46) USER MOD Single : A 52 ASN : amide:sc= -5.27! C(o=-5.3!,f=-11!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.271 K(o=-0.27,f=-2.7!) USER MOD Single : A 64 SER OG : rot 160:sc= -0.933 USER MOD Single : B 5 SER OG : rot -27:sc= 0.202 USER MOD Single : B 7 THR OG1 : rot 38:sc= 0.107 USER MOD Single : B 8 THR OG1 : rot -159:sc= -0.0198 USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD Single : B 23 HIS :FLIP no HD1:sc= -3.77! C(o=-4.3!,f=-3.8!) USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 TYR OH : rot 180:sc= 0 USER MOD Single : B 29 TYR OH : rot 180:sc= 0 USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.0688 USER MOD Single : B 31 SER OG : rot 180:sc= 0 USER MOD Single : B 33 LYS NZ :NH3+ -142:sc= -0.0646 (180deg=-0.487) USER MOD Single : B 35 SER OG : rot 180:sc= 0.00213 USER MOD Single : B 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 43 THR OG1 : rot 180:sc= -0.0389 USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 ASN : amide:sc= -5.45! C(o=-5.5!,f=-14!) USER MOD Single : B 48 GLN :FLIP amide:sc= -0.481 F(o=-2.6!,f=-0.48) USER MOD Single : B 52 ASN : amide:sc= -5.15! C(o=-5.1!,f=-12!) USER MOD Single : B 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 61 TYR OH : rot 180:sc= 0 USER MOD Single : B 63 ASN : amide:sc= -0.224 K(o=-0.22,f=-2.7!) USER MOD Single : B 64 SER OG : rot 160:sc= -0.945 USER MOD ----------------------------------------------------------------- ATOM 58 N SER A 5 11.952 -6.305 -3.121 1.00 0.00 N ATOM 59 CA SER A 5 13.002 -5.381 -3.635 1.00 0.00 C ATOM 60 C SER A 5 12.343 -4.273 -4.459 1.00 0.00 C ATOM 61 O SER A 5 12.733 -3.126 -4.399 1.00 0.00 O ATOM 62 CB SER A 5 13.980 -6.158 -4.516 1.00 0.00 C ATOM 63 OG SER A 5 13.259 -6.857 -5.520 1.00 0.00 O ATOM 0 HA SER A 5 13.542 -4.941 -2.796 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.694 -5.475 -4.975 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.554 -6.859 -3.910 1.00 0.00 H new ATOM 0 HG SER A 5 12.410 -7.178 -5.150 1.00 0.00 H new ATOM 69 N ASP A 6 11.345 -4.609 -5.226 1.00 0.00 N ATOM 70 CA ASP A 6 10.654 -3.582 -6.056 1.00 0.00 C ATOM 71 C ASP A 6 9.319 -3.232 -5.402 1.00 0.00 C ATOM 72 O ASP A 6 9.176 -3.310 -4.197 1.00 0.00 O ATOM 73 CB ASP A 6 10.426 -4.150 -7.464 1.00 0.00 C ATOM 74 CG ASP A 6 9.482 -5.354 -7.395 1.00 0.00 C ATOM 75 OD1 ASP A 6 9.131 -5.751 -6.295 1.00 0.00 O ATOM 76 OD2 ASP A 6 9.130 -5.865 -8.446 1.00 0.00 O ATOM 0 H ASP A 6 10.976 -5.556 -5.315 1.00 0.00 H new ATOM 0 HA ASP A 6 11.262 -2.680 -6.130 1.00 0.00 H new ATOM 0 HB2 ASP A 6 10.003 -3.382 -8.111 1.00 0.00 H new ATOM 0 HB3 ASP A 6 11.378 -4.448 -7.904 1.00 0.00 H new ATOM 81 N THR A 7 8.344 -2.835 -6.171 1.00 0.00 N ATOM 82 CA THR A 7 7.043 -2.473 -5.562 1.00 0.00 C ATOM 83 C THR A 7 6.241 -3.744 -5.267 1.00 0.00 C ATOM 84 O THR A 7 6.626 -4.832 -5.641 1.00 0.00 O ATOM 85 CB THR A 7 6.255 -1.573 -6.519 1.00 0.00 C ATOM 86 OG1 THR A 7 5.044 -1.170 -5.897 1.00 0.00 O ATOM 87 CG2 THR A 7 5.937 -2.341 -7.804 1.00 0.00 C ATOM 0 H THR A 7 8.394 -2.747 -7.186 1.00 0.00 H new ATOM 0 HA THR A 7 7.220 -1.935 -4.630 1.00 0.00 H new ATOM 0 HB THR A 7 6.851 -0.694 -6.763 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.209 -0.985 -4.949 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.376 -1.698 -8.483 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.866 -2.651 -8.282 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.341 -3.222 -7.564 1.00 0.00 H new ATOM 95 N THR A 8 5.129 -3.610 -4.600 1.00 0.00 N ATOM 96 CA THR A 8 4.302 -4.808 -4.283 1.00 0.00 C ATOM 97 C THR A 8 2.812 -4.434 -4.368 1.00 0.00 C ATOM 98 O THR A 8 2.365 -3.554 -3.659 1.00 0.00 O ATOM 99 CB THR A 8 4.626 -5.291 -2.868 1.00 0.00 C ATOM 100 OG1 THR A 8 6.035 -5.361 -2.703 1.00 0.00 O ATOM 101 CG2 THR A 8 4.018 -6.678 -2.652 1.00 0.00 C ATOM 0 H THR A 8 4.757 -2.723 -4.261 1.00 0.00 H new ATOM 0 HA THR A 8 4.521 -5.602 -4.996 1.00 0.00 H new ATOM 0 HB THR A 8 4.209 -4.594 -2.141 1.00 0.00 H new ATOM 0 HG1 THR A 8 6.254 -6.067 -2.060 1.00 0.00 H new ATOM 0 HG21 THR A 8 4.248 -7.023 -1.644 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.937 -6.625 -2.779 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.435 -7.375 -3.378 1.00 0.00 H new ATOM 109 N PRO A 9 2.081 -5.108 -5.233 1.00 0.00 N ATOM 110 CA PRO A 9 0.643 -4.841 -5.406 1.00 0.00 C ATOM 111 C PRO A 9 -0.102 -5.083 -4.092 1.00 0.00 C ATOM 112 O PRO A 9 0.004 -6.133 -3.489 1.00 0.00 O ATOM 113 CB PRO A 9 0.186 -5.840 -6.480 1.00 0.00 C ATOM 114 CG PRO A 9 1.423 -6.673 -6.905 1.00 0.00 C ATOM 115 CD PRO A 9 2.617 -6.179 -6.097 1.00 0.00 C ATOM 0 HA PRO A 9 0.443 -3.809 -5.695 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.597 -6.490 -6.089 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.234 -5.314 -7.337 1.00 0.00 H new ATOM 0 HG2 PRO A 9 1.250 -7.734 -6.722 1.00 0.00 H new ATOM 0 HG3 PRO A 9 1.611 -6.560 -7.973 1.00 0.00 H new ATOM 0 HD2 PRO A 9 3.051 -6.984 -5.504 1.00 0.00 H new ATOM 0 HD3 PRO A 9 3.405 -5.802 -6.749 1.00 0.00 H new ATOM 123 N CYS A 10 -0.851 -4.114 -3.639 1.00 0.00 N ATOM 124 CA CYS A 10 -1.596 -4.282 -2.360 1.00 0.00 C ATOM 125 C CYS A 10 -2.591 -3.139 -2.203 1.00 0.00 C ATOM 126 O CYS A 10 -2.352 -2.026 -2.626 1.00 0.00 O ATOM 127 CB CYS A 10 -0.599 -4.284 -1.192 1.00 0.00 C ATOM 128 SG CYS A 10 -1.471 -4.289 0.399 1.00 0.00 S ATOM 0 H CYS A 10 -0.979 -3.213 -4.100 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.140 -5.227 -2.366 1.00 0.00 H new ATOM 0 HB2 CYS A 10 0.047 -5.159 -1.261 1.00 0.00 H new ATOM 0 HB3 CYS A 10 0.045 -3.407 -1.256 1.00 0.00 H new ATOM 133 N CYS A 11 -3.711 -3.413 -1.598 1.00 0.00 N ATOM 134 CA CYS A 11 -4.726 -2.350 -1.414 1.00 0.00 C ATOM 135 C CYS A 11 -4.295 -1.450 -0.246 1.00 0.00 C ATOM 136 O CYS A 11 -3.656 -1.888 0.689 1.00 0.00 O ATOM 137 CB CYS A 11 -6.101 -3.004 -1.147 1.00 0.00 C ATOM 138 SG CYS A 11 -7.231 -1.863 -0.293 1.00 0.00 S ATOM 0 H CYS A 11 -3.964 -4.328 -1.224 1.00 0.00 H new ATOM 0 HA CYS A 11 -4.811 -1.735 -2.310 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -6.545 -3.317 -2.092 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -5.966 -3.902 -0.545 1.00 0.00 H new ATOM 143 N PHE A 12 -4.659 -0.199 -0.295 1.00 0.00 N ATOM 144 CA PHE A 12 -4.298 0.735 0.808 1.00 0.00 C ATOM 145 C PHE A 12 -5.560 1.053 1.614 1.00 0.00 C ATOM 146 O PHE A 12 -5.501 1.366 2.786 1.00 0.00 O ATOM 147 CB PHE A 12 -3.718 2.024 0.216 1.00 0.00 C ATOM 148 CG PHE A 12 -3.437 3.020 1.317 1.00 0.00 C ATOM 149 CD1 PHE A 12 -2.875 2.589 2.541 1.00 0.00 C ATOM 150 CD2 PHE A 12 -3.732 4.388 1.120 1.00 0.00 C ATOM 151 CE1 PHE A 12 -2.613 3.524 3.566 1.00 0.00 C ATOM 152 CE2 PHE A 12 -3.468 5.323 2.144 1.00 0.00 C ATOM 153 CZ PHE A 12 -2.908 4.892 3.368 1.00 0.00 C ATOM 0 H PHE A 12 -5.194 0.219 -1.056 1.00 0.00 H new ATOM 0 HA PHE A 12 -3.552 0.278 1.458 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -2.800 1.803 -0.328 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.418 2.451 -0.502 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.646 1.544 2.692 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.160 4.718 0.185 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.187 3.194 4.502 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.694 6.368 1.992 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.706 5.607 4.151 1.00 0.00 H new ATOM 163 N ALA A 13 -6.702 0.967 0.988 1.00 0.00 N ATOM 164 CA ALA A 13 -7.977 1.254 1.703 1.00 0.00 C ATOM 165 C ALA A 13 -9.132 0.635 0.930 1.00 0.00 C ATOM 166 O ALA A 13 -9.113 0.563 -0.284 1.00 0.00 O ATOM 167 CB ALA A 13 -8.179 2.767 1.812 1.00 0.00 C ATOM 0 H ALA A 13 -6.807 0.709 0.007 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.938 0.828 2.706 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.113 2.973 2.336 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.349 3.206 2.365 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -8.220 3.202 0.813 1.00 0.00 H new ATOM 173 N TYR A 14 -10.137 0.180 1.619 1.00 0.00 N ATOM 174 CA TYR A 14 -11.287 -0.442 0.908 1.00 0.00 C ATOM 175 C TYR A 14 -12.434 0.568 0.821 1.00 0.00 C ATOM 176 O TYR A 14 -12.693 1.307 1.750 1.00 0.00 O ATOM 177 CB TYR A 14 -11.784 -1.721 1.620 1.00 0.00 C ATOM 178 CG TYR A 14 -11.017 -1.980 2.900 1.00 0.00 C ATOM 179 CD1 TYR A 14 -11.430 -1.373 4.107 1.00 0.00 C ATOM 180 CD2 TYR A 14 -9.882 -2.822 2.886 1.00 0.00 C ATOM 181 CE1 TYR A 14 -10.711 -1.610 5.299 1.00 0.00 C ATOM 182 CE2 TYR A 14 -9.161 -3.057 4.078 1.00 0.00 C ATOM 183 CZ TYR A 14 -9.575 -2.451 5.285 1.00 0.00 C ATOM 184 OH TYR A 14 -8.870 -2.679 6.449 1.00 0.00 O ATOM 0 H TYR A 14 -10.214 0.210 2.636 1.00 0.00 H new ATOM 0 HA TYR A 14 -10.950 -0.725 -0.089 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -12.846 -1.624 1.845 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -11.677 -2.575 0.952 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -12.296 -0.728 4.118 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -9.566 -3.286 1.964 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.029 -1.148 6.222 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -8.293 -3.700 4.066 1.00 0.00 H new ATOM 0 HH TYR A 14 -8.119 -3.281 6.264 1.00 0.00 H new ATOM 194 N ILE A 15 -13.122 0.605 -0.288 1.00 0.00 N ATOM 195 CA ILE A 15 -14.249 1.566 -0.432 1.00 0.00 C ATOM 196 C ILE A 15 -15.435 1.087 0.404 1.00 0.00 C ATOM 197 O ILE A 15 -15.397 0.034 1.009 1.00 0.00 O ATOM 198 CB ILE A 15 -14.664 1.647 -1.902 1.00 0.00 C ATOM 199 CG1 ILE A 15 -14.854 0.233 -2.455 1.00 0.00 C ATOM 200 CG2 ILE A 15 -13.577 2.367 -2.701 1.00 0.00 C ATOM 201 CD1 ILE A 15 -15.756 0.285 -3.690 1.00 0.00 C ATOM 0 H ILE A 15 -12.951 0.011 -1.099 1.00 0.00 H new ATOM 0 HA ILE A 15 -13.934 2.551 -0.087 1.00 0.00 H new ATOM 0 HB ILE A 15 -15.600 2.199 -1.986 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -13.888 -0.200 -2.715 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -15.297 -0.410 -1.695 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -13.873 2.424 -3.748 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -13.442 3.374 -2.306 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -12.640 1.816 -2.619 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -15.892 -0.722 -4.084 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -16.725 0.701 -3.415 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -15.294 0.914 -4.451 1.00 0.00 H new ATOM 213 N ALA A 16 -16.491 1.849 0.437 1.00 0.00 N ATOM 214 CA ALA A 16 -17.683 1.439 1.228 1.00 0.00 C ATOM 215 C ALA A 16 -18.816 1.068 0.271 1.00 0.00 C ATOM 216 O ALA A 16 -19.739 1.829 0.059 1.00 0.00 O ATOM 217 CB ALA A 16 -18.121 2.599 2.122 1.00 0.00 C ATOM 0 H ALA A 16 -16.580 2.740 -0.051 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.437 0.579 1.850 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -18.994 2.301 2.703 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -17.308 2.864 2.799 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -18.373 3.460 1.503 1.00 0.00 H new ATOM 223 N ARG A 17 -18.748 -0.096 -0.315 1.00 0.00 N ATOM 224 CA ARG A 17 -19.811 -0.521 -1.266 1.00 0.00 C ATOM 225 C ARG A 17 -19.423 -1.881 -1.873 1.00 0.00 C ATOM 226 O ARG A 17 -18.558 -1.937 -2.724 1.00 0.00 O ATOM 227 CB ARG A 17 -19.935 0.515 -2.384 1.00 0.00 C ATOM 228 CG ARG A 17 -21.325 1.153 -2.341 1.00 0.00 C ATOM 229 CD ARG A 17 -21.654 1.753 -3.709 1.00 0.00 C ATOM 230 NE ARG A 17 -22.129 0.675 -4.623 1.00 0.00 N ATOM 231 CZ ARG A 17 -23.116 0.905 -5.445 1.00 0.00 C ATOM 232 NH1 ARG A 17 -24.322 1.086 -4.980 1.00 0.00 N ATOM 233 NH2 ARG A 17 -22.898 0.951 -6.731 1.00 0.00 N ATOM 0 H ARG A 17 -17.998 -0.773 -0.175 1.00 0.00 H new ATOM 0 HA ARG A 17 -20.763 -0.606 -0.743 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -19.168 1.281 -2.270 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -19.771 0.042 -3.352 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -22.071 0.406 -2.071 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -21.358 1.928 -1.575 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -22.420 2.521 -3.606 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -20.772 2.237 -4.128 1.00 0.00 H new ATOM 0 HE ARG A 17 -21.683 -0.242 -4.606 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -24.492 1.048 -3.975 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -25.094 1.266 -5.622 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -21.956 0.807 -7.094 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -23.670 1.131 -7.373 1.00 0.00 H new ATOM 247 N PRO A 18 -20.061 -2.945 -1.425 1.00 0.00 N ATOM 248 CA PRO A 18 -19.762 -4.291 -1.936 1.00 0.00 C ATOM 249 C PRO A 18 -19.853 -4.328 -3.462 1.00 0.00 C ATOM 250 O PRO A 18 -20.868 -4.001 -4.043 1.00 0.00 O ATOM 251 CB PRO A 18 -20.827 -5.200 -1.306 1.00 0.00 C ATOM 252 CG PRO A 18 -21.700 -4.322 -0.373 1.00 0.00 C ATOM 253 CD PRO A 18 -21.119 -2.903 -0.395 1.00 0.00 C ATOM 0 HA PRO A 18 -18.750 -4.607 -1.682 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -21.440 -5.664 -2.079 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -20.358 -6.007 -0.744 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -22.736 -4.317 -0.711 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -21.698 -4.721 0.641 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -21.883 -2.166 -0.643 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -20.713 -2.626 0.578 1.00 0.00 H new ATOM 261 N LEU A 19 -18.796 -4.733 -4.116 1.00 0.00 N ATOM 262 CA LEU A 19 -18.820 -4.801 -5.604 1.00 0.00 C ATOM 263 C LEU A 19 -19.518 -6.106 -6.022 1.00 0.00 C ATOM 264 O LEU A 19 -19.093 -7.167 -5.617 1.00 0.00 O ATOM 265 CB LEU A 19 -17.388 -4.810 -6.154 1.00 0.00 C ATOM 266 CG LEU A 19 -16.511 -3.818 -5.383 1.00 0.00 C ATOM 267 CD1 LEU A 19 -15.104 -3.816 -5.983 1.00 0.00 C ATOM 268 CD2 LEU A 19 -17.109 -2.415 -5.487 1.00 0.00 C ATOM 0 H LEU A 19 -17.918 -5.019 -3.683 1.00 0.00 H new ATOM 0 HA LEU A 19 -19.351 -3.935 -5.999 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -16.968 -5.813 -6.076 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -17.397 -4.550 -7.213 1.00 0.00 H new ATOM 0 HG LEU A 19 -16.463 -4.114 -4.335 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -14.477 -3.111 -5.437 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -14.676 -4.816 -5.909 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -15.156 -3.520 -7.031 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -16.483 -1.711 -4.938 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -17.157 -2.117 -6.534 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -18.113 -2.415 -5.063 1.00 0.00 H new ATOM 280 N PRO A 20 -20.565 -6.014 -6.817 1.00 0.00 N ATOM 281 CA PRO A 20 -21.290 -7.216 -7.263 1.00 0.00 C ATOM 282 C PRO A 20 -20.326 -8.189 -7.943 1.00 0.00 C ATOM 283 O PRO A 20 -19.661 -7.849 -8.901 1.00 0.00 O ATOM 284 CB PRO A 20 -22.339 -6.699 -8.258 1.00 0.00 C ATOM 285 CG PRO A 20 -22.251 -5.151 -8.274 1.00 0.00 C ATOM 286 CD PRO A 20 -21.104 -4.740 -7.339 1.00 0.00 C ATOM 0 HA PRO A 20 -21.750 -7.757 -6.436 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -22.154 -7.103 -9.253 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -23.337 -7.022 -7.964 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -22.069 -4.789 -9.286 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -23.191 -4.711 -7.942 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -20.340 -4.177 -7.875 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -21.462 -4.102 -6.531 1.00 0.00 H new ATOM 294 N ARG A 21 -20.236 -9.397 -7.444 1.00 0.00 N ATOM 295 CA ARG A 21 -19.305 -10.398 -8.049 1.00 0.00 C ATOM 296 C ARG A 21 -19.470 -10.420 -9.573 1.00 0.00 C ATOM 297 O ARG A 21 -18.554 -10.750 -10.302 1.00 0.00 O ATOM 298 CB ARG A 21 -19.592 -11.794 -7.468 1.00 0.00 C ATOM 299 CG ARG A 21 -20.948 -12.317 -7.960 1.00 0.00 C ATOM 300 CD ARG A 21 -22.077 -11.581 -7.240 1.00 0.00 C ATOM 301 NE ARG A 21 -23.302 -12.429 -7.234 1.00 0.00 N ATOM 302 CZ ARG A 21 -23.861 -12.774 -8.361 1.00 0.00 C ATOM 303 NH1 ARG A 21 -23.416 -13.809 -9.020 1.00 0.00 N ATOM 304 NH2 ARG A 21 -24.865 -12.085 -8.829 1.00 0.00 N ATOM 0 H ARG A 21 -20.769 -9.733 -6.642 1.00 0.00 H new ATOM 0 HA ARG A 21 -18.279 -10.116 -7.812 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -18.802 -12.485 -7.761 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -19.587 -11.748 -6.379 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -21.035 -12.172 -9.037 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -21.024 -13.389 -7.775 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -21.779 -11.348 -6.218 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -22.281 -10.633 -7.737 1.00 0.00 H new ATOM 0 HE ARG A 21 -23.703 -12.740 -6.349 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -22.631 -14.348 -8.654 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -23.853 -14.079 -9.901 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -25.213 -11.276 -8.314 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -25.302 -12.355 -9.710 1.00 0.00 H new ATOM 318 N ALA A 22 -20.628 -10.067 -10.058 1.00 0.00 N ATOM 319 CA ALA A 22 -20.844 -10.063 -11.532 1.00 0.00 C ATOM 320 C ALA A 22 -20.032 -8.931 -12.158 1.00 0.00 C ATOM 321 O ALA A 22 -19.331 -9.121 -13.132 1.00 0.00 O ATOM 322 CB ALA A 22 -22.331 -9.857 -11.830 1.00 0.00 C ATOM 0 H ALA A 22 -21.432 -9.782 -9.499 1.00 0.00 H new ATOM 0 HA ALA A 22 -20.522 -11.016 -11.952 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -22.489 -9.854 -12.908 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -22.908 -10.666 -11.381 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -22.657 -8.904 -11.413 1.00 0.00 H new ATOM 328 N HIS A 23 -20.117 -7.754 -11.604 1.00 0.00 N ATOM 329 CA HIS A 23 -19.345 -6.612 -12.166 1.00 0.00 C ATOM 330 C HIS A 23 -17.850 -6.900 -12.035 1.00 0.00 C ATOM 331 O HIS A 23 -17.053 -6.426 -12.818 1.00 0.00 O ATOM 332 CB HIS A 23 -19.683 -5.333 -11.397 1.00 0.00 C ATOM 333 CG HIS A 23 -21.153 -5.039 -11.523 1.00 0.00 C ATOM 334 ND1 HIS A 23 -21.676 -3.771 -11.299 1.00 0.00 N ATOM 335 CD2 HIS A 23 -22.228 -5.837 -11.838 1.00 0.00 C ATOM 336 CE1 HIS A 23 -23.002 -3.839 -11.476 1.00 0.00 C ATOM 337 NE2 HIS A 23 -23.392 -5.079 -11.807 1.00 0.00 N ATOM 0 H HIS A 23 -20.687 -7.534 -10.787 1.00 0.00 H new ATOM 0 HA HIS A 23 -19.605 -6.482 -13.217 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -19.414 -5.447 -10.347 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -19.101 -4.498 -11.787 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -22.175 -6.890 -12.073 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -23.673 -3.000 -11.366 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -24.342 -5.398 -11.996 1.00 0.00 H new ATOM 345 N ILE A 24 -17.458 -7.677 -11.059 1.00 0.00 N ATOM 346 CA ILE A 24 -16.006 -7.977 -10.908 1.00 0.00 C ATOM 347 C ILE A 24 -15.620 -9.115 -11.855 1.00 0.00 C ATOM 348 O ILE A 24 -16.455 -9.879 -12.298 1.00 0.00 O ATOM 349 CB ILE A 24 -15.676 -8.411 -9.480 1.00 0.00 C ATOM 350 CG1 ILE A 24 -16.382 -7.510 -8.463 1.00 0.00 C ATOM 351 CG2 ILE A 24 -14.163 -8.334 -9.275 1.00 0.00 C ATOM 352 CD1 ILE A 24 -15.987 -7.912 -7.040 1.00 0.00 C ATOM 0 H ILE A 24 -18.072 -8.111 -10.369 1.00 0.00 H new ATOM 0 HA ILE A 24 -15.450 -7.069 -11.143 1.00 0.00 H new ATOM 0 HB ILE A 24 -16.023 -9.433 -9.329 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -16.116 -6.468 -8.642 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -17.462 -7.588 -8.585 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -13.917 -8.642 -8.259 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -13.666 -8.995 -9.985 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -13.826 -7.310 -9.435 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -16.495 -7.265 -6.325 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -16.276 -8.948 -6.861 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -14.908 -7.810 -6.919 1.00 0.00 H new ATOM 364 N LYS A 25 -14.357 -9.242 -12.157 1.00 0.00 N ATOM 365 CA LYS A 25 -13.910 -10.340 -13.062 1.00 0.00 C ATOM 366 C LYS A 25 -12.914 -11.245 -12.323 1.00 0.00 C ATOM 367 O LYS A 25 -12.699 -12.381 -12.695 1.00 0.00 O ATOM 368 CB LYS A 25 -13.234 -9.740 -14.296 1.00 0.00 C ATOM 369 CG LYS A 25 -14.271 -8.985 -15.131 1.00 0.00 C ATOM 370 CD LYS A 25 -14.870 -9.929 -16.176 1.00 0.00 C ATOM 371 CE LYS A 25 -14.369 -9.534 -17.566 1.00 0.00 C ATOM 372 NZ LYS A 25 -12.957 -9.980 -17.732 1.00 0.00 N ATOM 0 H LYS A 25 -13.614 -8.632 -11.816 1.00 0.00 H new ATOM 0 HA LYS A 25 -14.774 -10.929 -13.369 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -12.434 -9.064 -13.993 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.776 -10.529 -14.892 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -15.058 -8.593 -14.486 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -13.806 -8.130 -15.622 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -14.589 -10.959 -15.955 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -15.958 -9.882 -16.143 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -14.997 -9.988 -18.333 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -14.438 -8.454 -17.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.617 -9.711 -18.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.363 -9.527 -17.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.905 -11.013 -17.626 1.00 0.00 H new ATOM 386 N GLU A 26 -12.300 -10.744 -11.283 1.00 0.00 N ATOM 387 CA GLU A 26 -11.312 -11.551 -10.517 1.00 0.00 C ATOM 388 C GLU A 26 -11.019 -10.809 -9.211 1.00 0.00 C ATOM 389 O GLU A 26 -11.746 -9.919 -8.830 1.00 0.00 O ATOM 390 CB GLU A 26 -10.013 -11.725 -11.334 1.00 0.00 C ATOM 391 CG GLU A 26 -9.815 -10.562 -12.321 1.00 0.00 C ATOM 392 CD GLU A 26 -10.169 -11.008 -13.743 1.00 0.00 C ATOM 393 OE1 GLU A 26 -10.613 -12.134 -13.904 1.00 0.00 O ATOM 394 OE2 GLU A 26 -9.991 -10.213 -14.652 1.00 0.00 O ATOM 0 H GLU A 26 -12.445 -9.798 -10.930 1.00 0.00 H new ATOM 0 HA GLU A 26 -11.712 -12.544 -10.310 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.160 -11.780 -10.658 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.048 -12.667 -11.881 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.441 -9.718 -12.030 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.781 -10.218 -12.287 1.00 0.00 H new ATOM 401 N TYR A 27 -9.961 -11.140 -8.528 1.00 0.00 N ATOM 402 CA TYR A 27 -9.641 -10.425 -7.270 1.00 0.00 C ATOM 403 C TYR A 27 -8.166 -10.671 -6.959 1.00 0.00 C ATOM 404 O TYR A 27 -7.497 -11.387 -7.681 1.00 0.00 O ATOM 405 CB TYR A 27 -10.573 -10.934 -6.155 1.00 0.00 C ATOM 406 CG TYR A 27 -10.101 -12.279 -5.638 1.00 0.00 C ATOM 407 CD1 TYR A 27 -10.501 -13.462 -6.298 1.00 0.00 C ATOM 408 CD2 TYR A 27 -9.250 -12.352 -4.512 1.00 0.00 C ATOM 409 CE1 TYR A 27 -10.055 -14.718 -5.831 1.00 0.00 C ATOM 410 CE2 TYR A 27 -8.802 -13.609 -4.045 1.00 0.00 C ATOM 411 CZ TYR A 27 -9.206 -14.793 -4.704 1.00 0.00 C ATOM 412 OH TYR A 27 -8.773 -16.020 -4.248 1.00 0.00 O ATOM 0 H TYR A 27 -9.305 -11.876 -8.789 1.00 0.00 H new ATOM 0 HA TYR A 27 -9.800 -9.350 -7.357 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -10.599 -10.213 -5.338 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -11.591 -11.021 -6.536 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -11.149 -13.406 -7.161 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -8.942 -11.448 -4.008 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -10.363 -15.622 -6.336 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -8.151 -13.665 -3.185 1.00 0.00 H new ATOM 0 HH TYR A 27 -8.196 -15.893 -3.466 1.00 0.00 H new ATOM 422 N PHE A 28 -7.635 -10.081 -5.926 1.00 0.00 N ATOM 423 CA PHE A 28 -6.195 -10.305 -5.650 1.00 0.00 C ATOM 424 C PHE A 28 -5.925 -10.268 -4.141 1.00 0.00 C ATOM 425 O PHE A 28 -5.471 -9.278 -3.605 1.00 0.00 O ATOM 426 CB PHE A 28 -5.377 -9.223 -6.389 1.00 0.00 C ATOM 427 CG PHE A 28 -3.989 -9.090 -5.798 1.00 0.00 C ATOM 428 CD1 PHE A 28 -3.211 -10.243 -5.553 1.00 0.00 C ATOM 429 CD2 PHE A 28 -3.509 -7.819 -5.416 1.00 0.00 C ATOM 430 CE1 PHE A 28 -1.950 -10.123 -4.928 1.00 0.00 C ATOM 431 CE2 PHE A 28 -2.246 -7.698 -4.799 1.00 0.00 C ATOM 432 CZ PHE A 28 -1.467 -8.850 -4.552 1.00 0.00 C ATOM 0 H PHE A 28 -8.125 -9.467 -5.275 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.897 -11.290 -6.009 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.303 -9.478 -7.446 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.895 -8.266 -6.328 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.580 -11.216 -5.843 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.109 -6.939 -5.596 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -1.355 -11.004 -4.738 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.875 -6.724 -4.515 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.502 -8.758 -4.076 1.00 0.00 H new ATOM 442 N TYR A 29 -6.177 -11.345 -3.451 1.00 0.00 N ATOM 443 CA TYR A 29 -5.913 -11.355 -1.989 1.00 0.00 C ATOM 444 C TYR A 29 -4.455 -10.984 -1.733 1.00 0.00 C ATOM 445 O TYR A 29 -3.546 -11.500 -2.353 1.00 0.00 O ATOM 446 CB TYR A 29 -6.195 -12.740 -1.416 1.00 0.00 C ATOM 447 CG TYR A 29 -5.939 -12.735 0.070 1.00 0.00 C ATOM 448 CD1 TYR A 29 -4.651 -13.038 0.566 1.00 0.00 C ATOM 449 CD2 TYR A 29 -6.987 -12.426 0.966 1.00 0.00 C ATOM 450 CE1 TYR A 29 -4.411 -13.031 1.957 1.00 0.00 C ATOM 451 CE2 TYR A 29 -6.745 -12.419 2.359 1.00 0.00 C ATOM 452 CZ TYR A 29 -5.458 -12.721 2.854 1.00 0.00 C ATOM 453 OH TYR A 29 -5.222 -12.712 4.214 1.00 0.00 O ATOM 0 H TYR A 29 -6.552 -12.213 -3.835 1.00 0.00 H new ATOM 0 HA TYR A 29 -6.566 -10.630 -1.504 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -7.228 -13.024 -1.616 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -5.561 -13.482 -1.902 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -3.850 -13.275 -0.119 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -7.972 -12.195 0.587 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -3.427 -13.263 2.336 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -7.545 -12.182 3.045 1.00 0.00 H new ATOM 0 HH TYR A 29 -6.047 -12.478 4.688 1.00 0.00 H new ATOM 463 N THR A 30 -4.234 -10.085 -0.823 1.00 0.00 N ATOM 464 CA THR A 30 -2.837 -9.660 -0.511 1.00 0.00 C ATOM 465 C THR A 30 -2.223 -10.621 0.509 1.00 0.00 C ATOM 466 O THR A 30 -2.817 -10.929 1.523 1.00 0.00 O ATOM 467 CB THR A 30 -2.836 -8.240 0.066 1.00 0.00 C ATOM 468 OG1 THR A 30 -4.161 -7.848 0.388 1.00 0.00 O ATOM 469 CG2 THR A 30 -2.257 -7.273 -0.969 1.00 0.00 C ATOM 0 H THR A 30 -4.960 -9.621 -0.277 1.00 0.00 H new ATOM 0 HA THR A 30 -2.250 -9.675 -1.429 1.00 0.00 H new ATOM 0 HB THR A 30 -2.227 -8.220 0.970 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.153 -6.940 0.758 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.255 -6.262 -0.561 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.236 -7.568 -1.212 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.867 -7.299 -1.872 1.00 0.00 H new ATOM 477 N SER A 31 -1.036 -11.097 0.248 1.00 0.00 N ATOM 478 CA SER A 31 -0.381 -12.036 1.202 1.00 0.00 C ATOM 479 C SER A 31 -0.103 -11.312 2.522 1.00 0.00 C ATOM 480 O SER A 31 -0.767 -10.354 2.865 1.00 0.00 O ATOM 481 CB SER A 31 0.935 -12.534 0.601 1.00 0.00 C ATOM 482 OG SER A 31 1.065 -13.929 0.833 1.00 0.00 O ATOM 0 H SER A 31 -0.491 -10.876 -0.586 1.00 0.00 H new ATOM 0 HA SER A 31 -1.039 -12.885 1.388 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.959 -12.329 -0.469 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.775 -12.001 1.046 1.00 0.00 H new ATOM 0 HG SER A 31 1.907 -14.248 0.446 1.00 0.00 H new ATOM 488 N GLY A 32 0.871 -11.762 3.268 1.00 0.00 N ATOM 489 CA GLY A 32 1.183 -11.098 4.566 1.00 0.00 C ATOM 490 C GLY A 32 2.295 -10.067 4.365 1.00 0.00 C ATOM 491 O GLY A 32 3.020 -9.738 5.284 1.00 0.00 O ATOM 0 H GLY A 32 1.463 -12.559 3.035 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.291 -10.612 4.960 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.492 -11.842 5.301 1.00 0.00 H new ATOM 495 N LYS A 33 2.434 -9.548 3.176 1.00 0.00 N ATOM 496 CA LYS A 33 3.499 -8.535 2.928 1.00 0.00 C ATOM 497 C LYS A 33 3.058 -7.189 3.504 1.00 0.00 C ATOM 498 O LYS A 33 3.586 -6.723 4.494 1.00 0.00 O ATOM 499 CB LYS A 33 3.739 -8.399 1.423 1.00 0.00 C ATOM 500 CG LYS A 33 3.913 -9.786 0.804 1.00 0.00 C ATOM 501 CD LYS A 33 4.779 -9.682 -0.453 1.00 0.00 C ATOM 502 CE LYS A 33 3.882 -9.632 -1.692 1.00 0.00 C ATOM 503 NZ LYS A 33 3.236 -10.960 -1.890 1.00 0.00 N ATOM 0 H LYS A 33 1.858 -9.781 2.367 1.00 0.00 H new ATOM 0 HA LYS A 33 4.424 -8.852 3.410 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.900 -7.884 0.956 1.00 0.00 H new ATOM 0 HB3 LYS A 33 4.627 -7.794 1.239 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.378 -10.461 1.523 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.940 -10.208 0.554 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.401 -8.788 -0.405 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.453 -10.536 -0.514 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.122 -8.860 -1.573 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.471 -9.367 -2.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.188 -11.175 -2.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.794 -11.693 -1.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.274 -10.941 -1.495 1.00 0.00 H new ATOM 517 N CYS A 34 2.088 -6.561 2.898 1.00 0.00 N ATOM 518 CA CYS A 34 1.614 -5.246 3.420 1.00 0.00 C ATOM 519 C CYS A 34 0.693 -5.480 4.620 1.00 0.00 C ATOM 520 O CYS A 34 0.231 -6.578 4.855 1.00 0.00 O ATOM 521 CB CYS A 34 0.855 -4.479 2.327 1.00 0.00 C ATOM 522 SG CYS A 34 -0.392 -5.546 1.558 1.00 0.00 S ATOM 0 H CYS A 34 1.604 -6.899 2.066 1.00 0.00 H new ATOM 0 HA CYS A 34 2.476 -4.654 3.727 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.375 -3.600 2.757 1.00 0.00 H new ATOM 0 HB3 CYS A 34 1.555 -4.123 1.571 1.00 0.00 H new ATOM 527 N SER A 35 0.426 -4.455 5.384 1.00 0.00 N ATOM 528 CA SER A 35 -0.461 -4.621 6.570 1.00 0.00 C ATOM 529 C SER A 35 -1.904 -4.287 6.186 1.00 0.00 C ATOM 530 O SER A 35 -2.686 -3.841 7.003 1.00 0.00 O ATOM 531 CB SER A 35 0.000 -3.681 7.686 1.00 0.00 C ATOM 532 OG SER A 35 1.336 -3.271 7.438 1.00 0.00 O ATOM 0 H SER A 35 0.784 -3.511 5.238 1.00 0.00 H new ATOM 0 HA SER A 35 -0.410 -5.653 6.917 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.655 -2.811 7.737 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.064 -4.185 8.650 1.00 0.00 H new ATOM 0 HG SER A 35 1.631 -2.668 8.152 1.00 0.00 H new ATOM 538 N ASN A 36 -2.268 -4.503 4.951 1.00 0.00 N ATOM 539 CA ASN A 36 -3.660 -4.203 4.520 1.00 0.00 C ATOM 540 C ASN A 36 -4.236 -5.419 3.781 1.00 0.00 C ATOM 541 O ASN A 36 -4.536 -5.332 2.606 1.00 0.00 O ATOM 542 CB ASN A 36 -3.655 -2.991 3.587 1.00 0.00 C ATOM 543 CG ASN A 36 -4.063 -1.741 4.368 1.00 0.00 C ATOM 544 OD1 ASN A 36 -3.228 -0.931 4.718 1.00 0.00 O ATOM 545 ND2 ASN A 36 -5.320 -1.550 4.661 1.00 0.00 N ATOM 0 H ASN A 36 -1.659 -4.875 4.222 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.274 -3.984 5.393 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.663 -2.855 3.156 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -4.343 -3.155 2.758 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.601 -0.721 5.184 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.021 -2.230 4.367 1.00 0.00 H new ATOM 552 N PRO A 37 -4.375 -6.525 4.485 1.00 0.00 N ATOM 553 CA PRO A 37 -4.914 -7.758 3.889 1.00 0.00 C ATOM 554 C PRO A 37 -6.318 -7.508 3.338 1.00 0.00 C ATOM 555 O PRO A 37 -7.100 -6.782 3.918 1.00 0.00 O ATOM 556 CB PRO A 37 -4.961 -8.769 5.044 1.00 0.00 C ATOM 557 CG PRO A 37 -4.384 -8.075 6.304 1.00 0.00 C ATOM 558 CD PRO A 37 -4.013 -6.636 5.915 1.00 0.00 C ATOM 0 HA PRO A 37 -4.306 -8.116 3.058 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -5.985 -9.097 5.223 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.380 -9.658 4.798 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.117 -8.076 7.111 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -3.508 -8.611 6.668 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.558 -5.910 6.518 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.951 -6.446 6.070 1.00 0.00 H new ATOM 566 N ALA A 38 -6.640 -8.104 2.221 1.00 0.00 N ATOM 567 CA ALA A 38 -7.992 -7.908 1.619 1.00 0.00 C ATOM 568 C ALA A 38 -8.073 -8.718 0.314 1.00 0.00 C ATOM 569 O ALA A 38 -7.543 -9.807 0.227 1.00 0.00 O ATOM 570 CB ALA A 38 -8.199 -6.411 1.335 1.00 0.00 C ATOM 0 H ALA A 38 -6.021 -8.722 1.696 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.770 -8.250 2.301 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -9.184 -6.257 0.895 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.126 -5.850 2.267 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.433 -6.063 0.642 1.00 0.00 H new ATOM 576 N VAL A 39 -8.706 -8.194 -0.706 1.00 0.00 N ATOM 577 CA VAL A 39 -8.791 -8.921 -2.003 1.00 0.00 C ATOM 578 C VAL A 39 -8.973 -7.864 -3.070 1.00 0.00 C ATOM 579 O VAL A 39 -10.060 -7.375 -3.304 1.00 0.00 O ATOM 580 CB VAL A 39 -9.971 -9.897 -2.028 1.00 0.00 C ATOM 581 CG1 VAL A 39 -9.560 -11.210 -1.367 1.00 0.00 C ATOM 582 CG2 VAL A 39 -11.164 -9.299 -1.283 1.00 0.00 C ATOM 0 H VAL A 39 -9.170 -7.286 -0.692 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.891 -9.514 -2.164 1.00 0.00 H new ATOM 0 HB VAL A 39 -10.257 -10.083 -3.063 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -10.400 -11.905 -1.385 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.719 -11.643 -1.909 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.267 -11.021 -0.334 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -11.997 -10.001 -1.307 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -10.885 -9.102 -0.248 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -11.462 -8.366 -1.762 1.00 0.00 H new ATOM 592 N VAL A 40 -7.907 -7.482 -3.689 1.00 0.00 N ATOM 593 CA VAL A 40 -7.998 -6.423 -4.712 1.00 0.00 C ATOM 594 C VAL A 40 -8.856 -6.912 -5.869 1.00 0.00 C ATOM 595 O VAL A 40 -8.485 -7.798 -6.612 1.00 0.00 O ATOM 596 CB VAL A 40 -6.579 -6.048 -5.148 1.00 0.00 C ATOM 597 CG1 VAL A 40 -6.524 -5.651 -6.623 1.00 0.00 C ATOM 598 CG2 VAL A 40 -6.132 -4.858 -4.306 1.00 0.00 C ATOM 0 H VAL A 40 -6.972 -7.858 -3.531 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.476 -5.528 -4.315 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.930 -6.912 -5.009 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.500 -5.392 -6.892 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -6.861 -6.486 -7.237 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.172 -4.791 -6.793 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.122 -4.567 -4.594 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.811 -4.021 -4.469 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.143 -5.134 -3.252 1.00 0.00 H new ATOM 608 N PHE A 41 -10.002 -6.331 -6.024 1.00 0.00 N ATOM 609 CA PHE A 41 -10.884 -6.753 -7.120 1.00 0.00 C ATOM 610 C PHE A 41 -10.386 -6.190 -8.433 1.00 0.00 C ATOM 611 O PHE A 41 -9.826 -5.119 -8.515 1.00 0.00 O ATOM 612 CB PHE A 41 -12.311 -6.263 -6.861 1.00 0.00 C ATOM 613 CG PHE A 41 -13.035 -7.221 -5.942 1.00 0.00 C ATOM 614 CD1 PHE A 41 -13.009 -8.610 -6.197 1.00 0.00 C ATOM 615 CD2 PHE A 41 -13.785 -6.719 -4.858 1.00 0.00 C ATOM 616 CE1 PHE A 41 -13.732 -9.496 -5.365 1.00 0.00 C ATOM 617 CE2 PHE A 41 -14.514 -7.602 -4.032 1.00 0.00 C ATOM 618 CZ PHE A 41 -14.490 -8.991 -4.285 1.00 0.00 C ATOM 0 H PHE A 41 -10.363 -5.580 -5.435 1.00 0.00 H new ATOM 0 HA PHE A 41 -10.881 -7.842 -7.173 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -12.286 -5.269 -6.415 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -12.850 -6.176 -7.804 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -12.437 -8.996 -7.028 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -13.802 -5.658 -4.660 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -13.705 -10.559 -5.555 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -15.091 -7.214 -3.205 1.00 0.00 H new ATOM 0 HZ PHE A 41 -15.050 -9.666 -3.654 1.00 0.00 H new ATOM 628 N VAL A 42 -10.612 -6.932 -9.457 1.00 0.00 N ATOM 629 CA VAL A 42 -10.210 -6.524 -10.821 1.00 0.00 C ATOM 630 C VAL A 42 -11.497 -6.658 -11.650 1.00 0.00 C ATOM 631 O VAL A 42 -11.764 -7.681 -12.248 1.00 0.00 O ATOM 632 CB VAL A 42 -9.110 -7.453 -11.357 1.00 0.00 C ATOM 633 CG1 VAL A 42 -7.820 -6.655 -11.492 1.00 0.00 C ATOM 634 CG2 VAL A 42 -8.845 -8.620 -10.403 1.00 0.00 C ATOM 0 H VAL A 42 -11.076 -7.839 -9.410 1.00 0.00 H new ATOM 0 HA VAL A 42 -9.800 -5.515 -10.856 1.00 0.00 H new ATOM 0 HB VAL A 42 -9.440 -7.851 -12.317 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.030 -7.302 -11.872 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.975 -5.827 -12.184 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.531 -6.263 -10.517 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -8.061 -9.256 -10.815 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.527 -8.233 -9.435 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -9.758 -9.203 -10.279 1.00 0.00 H new ATOM 644 N THR A 43 -12.344 -5.663 -11.593 1.00 0.00 N ATOM 645 CA THR A 43 -13.685 -5.754 -12.272 1.00 0.00 C ATOM 646 C THR A 43 -13.644 -5.393 -13.755 1.00 0.00 C ATOM 647 O THR A 43 -12.624 -5.477 -14.405 1.00 0.00 O ATOM 648 CB THR A 43 -14.664 -4.816 -11.550 1.00 0.00 C ATOM 649 OG1 THR A 43 -14.408 -3.475 -11.939 1.00 0.00 O ATOM 650 CG2 THR A 43 -14.494 -4.948 -10.033 1.00 0.00 C ATOM 0 H THR A 43 -12.170 -4.785 -11.105 1.00 0.00 H new ATOM 0 HA THR A 43 -14.006 -6.794 -12.214 1.00 0.00 H new ATOM 0 HB THR A 43 -15.684 -5.088 -11.820 1.00 0.00 H new ATOM 0 HG1 THR A 43 -15.033 -2.876 -11.480 1.00 0.00 H new ATOM 0 HG21 THR A 43 -15.192 -4.279 -9.529 1.00 0.00 H new ATOM 0 HG22 THR A 43 -14.695 -5.976 -9.732 1.00 0.00 H new ATOM 0 HG23 THR A 43 -13.474 -4.682 -9.757 1.00 0.00 H new ATOM 658 N ARG A 44 -14.786 -5.022 -14.299 1.00 0.00 N ATOM 659 CA ARG A 44 -14.866 -4.673 -15.745 1.00 0.00 C ATOM 660 C ARG A 44 -13.726 -3.717 -16.092 1.00 0.00 C ATOM 661 O ARG A 44 -12.829 -4.062 -16.836 1.00 0.00 O ATOM 662 CB ARG A 44 -16.226 -4.028 -16.064 1.00 0.00 C ATOM 663 CG ARG A 44 -16.691 -3.126 -14.911 1.00 0.00 C ATOM 664 CD ARG A 44 -16.901 -1.702 -15.430 1.00 0.00 C ATOM 665 NE ARG A 44 -18.361 -1.421 -15.526 1.00 0.00 N ATOM 666 CZ ARG A 44 -18.777 -0.207 -15.763 1.00 0.00 C ATOM 667 NH1 ARG A 44 -18.998 0.612 -14.771 1.00 0.00 N ATOM 668 NH2 ARG A 44 -18.980 0.186 -16.991 1.00 0.00 N ATOM 0 H ARG A 44 -15.668 -4.948 -13.792 1.00 0.00 H new ATOM 0 HA ARG A 44 -14.772 -5.579 -16.344 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -16.149 -3.443 -16.980 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -16.968 -4.806 -16.244 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -17.618 -3.510 -14.486 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -15.950 -3.128 -14.112 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -16.425 -0.985 -14.761 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -16.432 -1.586 -16.407 1.00 0.00 H new ATOM 0 HE ARG A 44 -19.035 -2.177 -15.407 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -18.846 0.303 -13.811 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -19.323 1.561 -14.956 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -18.814 -0.456 -17.766 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -19.305 1.135 -17.176 1.00 0.00 H new ATOM 682 N LYS A 45 -13.704 -2.543 -15.512 1.00 0.00 N ATOM 683 CA LYS A 45 -12.556 -1.623 -15.774 1.00 0.00 C ATOM 684 C LYS A 45 -11.297 -2.399 -15.382 1.00 0.00 C ATOM 685 O LYS A 45 -10.238 -2.257 -15.959 1.00 0.00 O ATOM 686 CB LYS A 45 -12.686 -0.361 -14.919 1.00 0.00 C ATOM 687 CG LYS A 45 -11.456 0.524 -15.128 1.00 0.00 C ATOM 688 CD LYS A 45 -11.789 1.964 -14.731 1.00 0.00 C ATOM 689 CE LYS A 45 -10.716 2.905 -15.282 1.00 0.00 C ATOM 690 NZ LYS A 45 -9.588 2.993 -14.312 1.00 0.00 N ATOM 0 H LYS A 45 -14.419 -2.186 -14.878 1.00 0.00 H new ATOM 0 HA LYS A 45 -12.524 -1.309 -16.817 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.590 0.184 -15.191 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -12.780 -0.630 -13.867 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.623 0.154 -14.530 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.141 0.487 -16.171 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -12.768 2.243 -15.121 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -11.842 2.051 -13.646 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -10.355 2.540 -16.244 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -11.139 3.895 -15.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.858 3.633 -14.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.939 3.360 -13.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.179 2.048 -14.168 1.00 0.00 H new ATOM 704 N ASN A 46 -11.459 -3.266 -14.415 1.00 0.00 N ATOM 705 CA ASN A 46 -10.363 -4.142 -13.950 1.00 0.00 C ATOM 706 C ASN A 46 -9.324 -3.370 -13.189 1.00 0.00 C ATOM 707 O ASN A 46 -8.257 -3.881 -12.910 1.00 0.00 O ATOM 708 CB ASN A 46 -9.719 -4.844 -15.143 1.00 0.00 C ATOM 709 CG ASN A 46 -10.021 -6.343 -15.091 1.00 0.00 C ATOM 710 OD1 ASN A 46 -10.338 -6.875 -14.047 1.00 0.00 O ATOM 711 ND2 ASN A 46 -9.931 -7.052 -16.182 1.00 0.00 N ATOM 0 H ASN A 46 -12.339 -3.400 -13.918 1.00 0.00 H new ATOM 0 HA ASN A 46 -10.790 -4.884 -13.275 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.098 -4.420 -16.073 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -8.641 -4.681 -15.134 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -10.127 -8.053 -16.158 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -9.665 -6.606 -17.060 1.00 0.00 H new ATOM 718 N ARG A 47 -9.636 -2.183 -12.759 1.00 0.00 N ATOM 719 CA ARG A 47 -8.655 -1.460 -11.908 1.00 0.00 C ATOM 720 C ARG A 47 -8.425 -2.392 -10.730 1.00 0.00 C ATOM 721 O ARG A 47 -9.202 -3.311 -10.544 1.00 0.00 O ATOM 722 CB ARG A 47 -9.224 -0.126 -11.409 1.00 0.00 C ATOM 723 CG ARG A 47 -10.727 -0.250 -11.139 1.00 0.00 C ATOM 724 CD ARG A 47 -11.078 0.507 -9.856 1.00 0.00 C ATOM 725 NE ARG A 47 -12.366 1.233 -10.044 1.00 0.00 N ATOM 726 CZ ARG A 47 -12.804 2.035 -9.112 1.00 0.00 C ATOM 727 NH1 ARG A 47 -12.331 3.248 -9.019 1.00 0.00 N ATOM 728 NH2 ARG A 47 -13.713 1.624 -8.273 1.00 0.00 N ATOM 0 H ARG A 47 -10.508 -1.690 -12.954 1.00 0.00 H new ATOM 0 HA ARG A 47 -7.743 -1.222 -12.455 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -8.709 0.177 -10.498 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -9.045 0.652 -12.151 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -11.293 0.154 -11.979 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -11.005 -1.300 -11.042 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -11.159 -0.189 -9.021 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -10.284 1.211 -9.608 1.00 0.00 H new ATOM 0 HE ARG A 47 -12.905 1.103 -10.900 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -11.619 3.569 -9.675 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -12.674 3.874 -8.291 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -14.082 0.676 -8.345 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -14.055 2.251 -7.545 1.00 0.00 H new ATOM 742 N GLN A 48 -7.397 -2.232 -9.963 1.00 0.00 N ATOM 743 CA GLN A 48 -7.227 -3.190 -8.857 1.00 0.00 C ATOM 744 C GLN A 48 -7.985 -2.679 -7.648 1.00 0.00 C ATOM 745 O GLN A 48 -7.434 -2.305 -6.634 1.00 0.00 O ATOM 746 CB GLN A 48 -5.757 -3.432 -8.572 1.00 0.00 C ATOM 747 CG GLN A 48 -5.361 -4.695 -9.337 1.00 0.00 C ATOM 748 CD GLN A 48 -3.878 -4.999 -9.121 1.00 0.00 C ATOM 749 OE1 GLN A 48 -3.516 -5.738 -8.108 1.00 0.00 O flip ATOM 750 NE2 GLN A 48 -3.039 -4.557 -9.880 1.00 0.00 N flip ATOM 0 H GLN A 48 -6.688 -1.504 -10.048 1.00 0.00 H new ATOM 0 HA GLN A 48 -7.641 -4.160 -9.132 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.156 -2.581 -8.893 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.586 -3.558 -7.503 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.965 -5.537 -9.001 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.562 -4.563 -10.400 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -3.321 -3.979 -10.672 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -2.052 -4.763 -9.726 1.00 0.00 H new ATOM 759 N VAL A 49 -9.276 -2.672 -7.794 1.00 0.00 N ATOM 760 CA VAL A 49 -10.191 -2.203 -6.725 1.00 0.00 C ATOM 761 C VAL A 49 -9.796 -2.874 -5.402 1.00 0.00 C ATOM 762 O VAL A 49 -8.918 -3.713 -5.359 1.00 0.00 O ATOM 763 CB VAL A 49 -11.657 -2.554 -7.069 1.00 0.00 C ATOM 764 CG1 VAL A 49 -12.542 -1.375 -6.665 1.00 0.00 C ATOM 765 CG2 VAL A 49 -11.867 -2.841 -8.585 1.00 0.00 C ATOM 0 H VAL A 49 -9.750 -2.984 -8.642 1.00 0.00 H new ATOM 0 HA VAL A 49 -10.109 -1.120 -6.635 1.00 0.00 H new ATOM 0 HB VAL A 49 -11.918 -3.462 -6.526 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -13.582 -1.603 -6.900 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -12.443 -1.196 -5.594 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -12.234 -0.484 -7.212 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -12.914 -3.082 -8.768 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -11.591 -1.960 -9.164 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -11.243 -3.683 -8.886 1.00 0.00 H new ATOM 775 N CYS A 50 -10.422 -2.504 -4.323 1.00 0.00 N ATOM 776 CA CYS A 50 -10.065 -3.108 -3.010 1.00 0.00 C ATOM 777 C CYS A 50 -11.289 -3.766 -2.378 1.00 0.00 C ATOM 778 O CYS A 50 -12.406 -3.326 -2.559 1.00 0.00 O ATOM 779 CB CYS A 50 -9.570 -2.004 -2.080 1.00 0.00 C ATOM 780 SG CYS A 50 -9.018 -2.727 -0.524 1.00 0.00 S ATOM 0 H CYS A 50 -11.167 -1.808 -4.292 1.00 0.00 H new ATOM 0 HA CYS A 50 -9.292 -3.861 -3.163 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -8.752 -1.459 -2.550 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -10.368 -1.285 -1.896 1.00 0.00 H new ATOM 785 N ALA A 51 -11.084 -4.807 -1.617 1.00 0.00 N ATOM 786 CA ALA A 51 -12.232 -5.477 -0.952 1.00 0.00 C ATOM 787 C ALA A 51 -11.752 -6.151 0.322 1.00 0.00 C ATOM 788 O ALA A 51 -11.081 -7.163 0.318 1.00 0.00 O ATOM 789 CB ALA A 51 -12.867 -6.501 -1.889 1.00 0.00 C ATOM 0 H ALA A 51 -10.171 -5.220 -1.429 1.00 0.00 H new ATOM 0 HA ALA A 51 -12.987 -4.732 -0.702 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -13.706 -6.983 -1.387 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -13.222 -5.999 -2.789 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -12.127 -7.253 -2.161 1.00 0.00 H new ATOM 795 N ASN A 52 -12.108 -5.557 1.409 1.00 0.00 N ATOM 796 CA ASN A 52 -11.731 -6.058 2.747 1.00 0.00 C ATOM 797 C ASN A 52 -11.869 -7.589 2.847 1.00 0.00 C ATOM 798 O ASN A 52 -12.753 -8.163 2.249 1.00 0.00 O ATOM 799 CB ASN A 52 -12.705 -5.397 3.709 1.00 0.00 C ATOM 800 CG ASN A 52 -12.471 -5.894 5.138 1.00 0.00 C ATOM 801 OD1 ASN A 52 -13.038 -6.888 5.547 1.00 0.00 O ATOM 802 ND2 ASN A 52 -11.654 -5.241 5.917 1.00 0.00 N ATOM 0 H ASN A 52 -12.670 -4.706 1.428 1.00 0.00 H new ATOM 0 HA ASN A 52 -10.689 -5.825 2.967 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -12.585 -4.314 3.670 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -13.729 -5.615 3.405 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -11.490 -5.564 6.870 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -11.179 -4.407 5.573 1.00 0.00 H new ATOM 809 N PRO A 53 -10.993 -8.217 3.612 1.00 0.00 N ATOM 810 CA PRO A 53 -11.031 -9.678 3.793 1.00 0.00 C ATOM 811 C PRO A 53 -12.181 -10.086 4.722 1.00 0.00 C ATOM 812 O PRO A 53 -12.877 -11.051 4.475 1.00 0.00 O ATOM 813 CB PRO A 53 -9.699 -10.017 4.474 1.00 0.00 C ATOM 814 CG PRO A 53 -9.062 -8.685 4.938 1.00 0.00 C ATOM 815 CD PRO A 53 -9.893 -7.541 4.336 1.00 0.00 C ATOM 0 HA PRO A 53 -11.179 -10.195 2.845 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -9.861 -10.681 5.323 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -9.037 -10.539 3.783 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -9.055 -8.622 6.026 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -8.025 -8.620 4.608 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -10.277 -6.880 5.112 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -9.294 -6.928 3.663 1.00 0.00 H new ATOM 823 N GLU A 54 -12.363 -9.377 5.807 1.00 0.00 N ATOM 824 CA GLU A 54 -13.441 -9.747 6.772 1.00 0.00 C ATOM 825 C GLU A 54 -14.669 -8.845 6.608 1.00 0.00 C ATOM 826 O GLU A 54 -15.185 -8.311 7.570 1.00 0.00 O ATOM 827 CB GLU A 54 -12.906 -9.609 8.199 1.00 0.00 C ATOM 828 CG GLU A 54 -11.543 -10.297 8.302 1.00 0.00 C ATOM 829 CD GLU A 54 -11.725 -11.811 8.174 1.00 0.00 C ATOM 830 OE1 GLU A 54 -12.726 -12.311 8.660 1.00 0.00 O ATOM 831 OE2 GLU A 54 -10.860 -12.443 7.590 1.00 0.00 O ATOM 0 H GLU A 54 -11.812 -8.559 6.066 1.00 0.00 H new ATOM 0 HA GLU A 54 -13.741 -10.776 6.573 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.815 -8.556 8.464 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -13.605 -10.056 8.906 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.879 -9.932 7.518 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.073 -10.056 9.255 1.00 0.00 H new ATOM 838 N LYS A 55 -15.160 -8.692 5.412 1.00 0.00 N ATOM 839 CA LYS A 55 -16.376 -7.849 5.209 1.00 0.00 C ATOM 840 C LYS A 55 -17.542 -8.753 4.796 1.00 0.00 C ATOM 841 O LYS A 55 -18.487 -8.319 4.169 1.00 0.00 O ATOM 842 CB LYS A 55 -16.119 -6.801 4.125 1.00 0.00 C ATOM 843 CG LYS A 55 -16.377 -5.403 4.690 1.00 0.00 C ATOM 844 CD LYS A 55 -15.853 -4.352 3.708 1.00 0.00 C ATOM 845 CE LYS A 55 -16.801 -3.151 3.692 1.00 0.00 C ATOM 846 NZ LYS A 55 -16.027 -1.903 3.947 1.00 0.00 N ATOM 0 H LYS A 55 -14.775 -9.112 4.566 1.00 0.00 H new ATOM 0 HA LYS A 55 -16.620 -7.332 6.137 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -15.092 -6.876 3.769 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -16.768 -6.983 3.268 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -17.444 -5.258 4.859 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -15.883 -5.292 5.656 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -14.852 -4.035 3.999 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -15.774 -4.780 2.709 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -17.308 -3.087 2.729 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -17.574 -3.274 4.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -16.671 -1.087 3.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -15.563 -1.966 4.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -15.306 -1.785 3.207 1.00 0.00 H new ATOM 860 N LYS A 56 -17.477 -10.009 5.158 1.00 0.00 N ATOM 861 CA LYS A 56 -18.571 -10.964 4.814 1.00 0.00 C ATOM 862 C LYS A 56 -18.733 -11.087 3.292 1.00 0.00 C ATOM 863 O LYS A 56 -18.159 -11.958 2.673 1.00 0.00 O ATOM 864 CB LYS A 56 -19.884 -10.483 5.438 1.00 0.00 C ATOM 865 CG LYS A 56 -19.863 -10.756 6.943 1.00 0.00 C ATOM 866 CD LYS A 56 -20.717 -11.987 7.249 1.00 0.00 C ATOM 867 CE LYS A 56 -20.861 -12.144 8.764 1.00 0.00 C ATOM 868 NZ LYS A 56 -22.061 -11.393 9.229 1.00 0.00 N ATOM 0 H LYS A 56 -16.703 -10.417 5.683 1.00 0.00 H new ATOM 0 HA LYS A 56 -18.313 -11.946 5.211 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -20.018 -9.417 5.253 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -20.728 -10.996 4.976 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -18.839 -10.917 7.280 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -20.245 -9.891 7.486 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -21.700 -11.885 6.788 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -20.256 -12.878 6.822 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -20.955 -13.198 9.024 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -19.968 -11.771 9.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -22.160 -11.499 10.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -21.953 -10.386 8.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -22.909 -11.769 8.759 1.00 0.00 H new ATOM 882 N TRP A 57 -19.529 -10.243 2.692 1.00 0.00 N ATOM 883 CA TRP A 57 -19.757 -10.325 1.216 1.00 0.00 C ATOM 884 C TRP A 57 -18.435 -10.503 0.448 1.00 0.00 C ATOM 885 O TRP A 57 -18.359 -11.282 -0.480 1.00 0.00 O ATOM 886 CB TRP A 57 -20.496 -9.063 0.758 1.00 0.00 C ATOM 887 CG TRP A 57 -19.614 -7.885 0.876 1.00 0.00 C ATOM 888 CD1 TRP A 57 -19.668 -6.926 1.826 1.00 0.00 C ATOM 889 CD2 TRP A 57 -18.623 -7.479 -0.069 1.00 0.00 C ATOM 890 NE1 TRP A 57 -18.740 -5.947 1.515 1.00 0.00 N ATOM 891 CE2 TRP A 57 -18.053 -6.253 0.360 1.00 0.00 C ATOM 892 CE3 TRP A 57 -18.162 -8.069 -1.258 1.00 0.00 C ATOM 893 CZ2 TRP A 57 -17.038 -5.630 -0.380 1.00 0.00 C ATOM 894 CZ3 TRP A 57 -17.168 -7.449 -2.013 1.00 0.00 C ATOM 895 CH2 TRP A 57 -16.597 -6.229 -1.577 1.00 0.00 C ATOM 0 H TRP A 57 -20.036 -9.494 3.163 1.00 0.00 H new ATOM 0 HA TRP A 57 -20.366 -11.203 0.999 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -20.824 -9.179 -0.275 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -21.392 -8.918 1.362 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -20.325 -6.924 2.684 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -18.584 -5.106 2.070 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -18.580 -9.008 -1.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -16.600 -4.704 -0.037 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -16.832 -7.901 -2.934 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -15.822 -5.757 -2.163 1.00 0.00 H new ATOM 906 N VAL A 58 -17.399 -9.800 0.808 1.00 0.00 N ATOM 907 CA VAL A 58 -16.104 -9.955 0.066 1.00 0.00 C ATOM 908 C VAL A 58 -15.715 -11.429 -0.059 1.00 0.00 C ATOM 909 O VAL A 58 -15.458 -11.910 -1.137 1.00 0.00 O ATOM 910 CB VAL A 58 -14.969 -9.237 0.795 1.00 0.00 C ATOM 911 CG1 VAL A 58 -15.018 -7.746 0.485 1.00 0.00 C ATOM 912 CG2 VAL A 58 -15.091 -9.453 2.293 1.00 0.00 C ATOM 0 H VAL A 58 -17.385 -9.129 1.576 1.00 0.00 H new ATOM 0 HA VAL A 58 -16.253 -9.521 -0.923 1.00 0.00 H new ATOM 0 HB VAL A 58 -14.017 -9.645 0.454 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -14.207 -7.239 1.007 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -14.909 -7.594 -0.589 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -15.973 -7.337 0.815 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -14.277 -8.937 2.802 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -16.045 -9.058 2.641 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -15.038 -10.519 2.512 1.00 0.00 H new ATOM 922 N ARG A 59 -15.635 -12.141 1.037 1.00 0.00 N ATOM 923 CA ARG A 59 -15.232 -13.576 0.968 1.00 0.00 C ATOM 924 C ARG A 59 -16.317 -14.379 0.248 1.00 0.00 C ATOM 925 O ARG A 59 -16.036 -15.321 -0.465 1.00 0.00 O ATOM 926 CB ARG A 59 -15.042 -14.125 2.384 1.00 0.00 C ATOM 927 CG ARG A 59 -16.277 -13.809 3.230 1.00 0.00 C ATOM 928 CD ARG A 59 -16.238 -14.630 4.521 1.00 0.00 C ATOM 929 NE ARG A 59 -15.913 -16.049 4.200 1.00 0.00 N ATOM 930 CZ ARG A 59 -16.844 -16.960 4.259 1.00 0.00 C ATOM 931 NH1 ARG A 59 -17.943 -16.814 3.571 1.00 0.00 N ATOM 932 NH2 ARG A 59 -16.677 -18.017 5.005 1.00 0.00 N ATOM 0 H ARG A 59 -15.831 -11.790 1.974 1.00 0.00 H new ATOM 0 HA ARG A 59 -14.294 -13.662 0.419 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -14.880 -15.202 2.348 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -14.155 -13.684 2.839 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -16.307 -12.745 3.464 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -17.183 -14.038 2.669 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -15.492 -14.220 5.202 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -17.200 -14.573 5.030 1.00 0.00 H new ATOM 0 HE ARG A 59 -14.963 -16.307 3.934 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -18.073 -15.988 2.987 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -18.672 -17.526 3.617 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -15.818 -18.131 5.543 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -17.406 -18.729 5.051 1.00 0.00 H new ATOM 946 N GLU A 60 -17.552 -13.999 0.416 1.00 0.00 N ATOM 947 CA GLU A 60 -18.654 -14.727 -0.276 1.00 0.00 C ATOM 948 C GLU A 60 -18.694 -14.295 -1.746 1.00 0.00 C ATOM 949 O GLU A 60 -19.454 -14.816 -2.539 1.00 0.00 O ATOM 950 CB GLU A 60 -19.988 -14.391 0.393 1.00 0.00 C ATOM 951 CG GLU A 60 -20.428 -15.561 1.276 1.00 0.00 C ATOM 952 CD GLU A 60 -21.955 -15.643 1.293 1.00 0.00 C ATOM 953 OE1 GLU A 60 -22.507 -16.242 0.385 1.00 0.00 O ATOM 954 OE2 GLU A 60 -22.547 -15.106 2.215 1.00 0.00 O ATOM 0 H GLU A 60 -17.847 -13.217 1.001 1.00 0.00 H new ATOM 0 HA GLU A 60 -18.481 -15.801 -0.213 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -19.888 -13.487 0.993 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -20.745 -14.189 -0.364 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -20.008 -16.493 0.899 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -20.049 -15.428 2.289 1.00 0.00 H new ATOM 961 N TYR A 61 -17.876 -13.344 -2.111 1.00 0.00 N ATOM 962 CA TYR A 61 -17.843 -12.860 -3.513 1.00 0.00 C ATOM 963 C TYR A 61 -16.646 -13.494 -4.219 1.00 0.00 C ATOM 964 O TYR A 61 -16.677 -13.763 -5.404 1.00 0.00 O ATOM 965 CB TYR A 61 -17.691 -11.336 -3.490 1.00 0.00 C ATOM 966 CG TYR A 61 -19.052 -10.687 -3.384 1.00 0.00 C ATOM 967 CD1 TYR A 61 -20.043 -11.245 -2.541 1.00 0.00 C ATOM 968 CD2 TYR A 61 -19.320 -9.496 -4.091 1.00 0.00 C ATOM 969 CE1 TYR A 61 -21.297 -10.611 -2.407 1.00 0.00 C ATOM 970 CE2 TYR A 61 -20.578 -8.864 -3.961 1.00 0.00 C ATOM 971 CZ TYR A 61 -21.565 -9.421 -3.117 1.00 0.00 C ATOM 972 OH TYR A 61 -22.790 -8.799 -2.984 1.00 0.00 O ATOM 0 H TYR A 61 -17.221 -12.878 -1.484 1.00 0.00 H new ATOM 0 HA TYR A 61 -18.757 -13.129 -4.042 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -17.068 -11.036 -2.647 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -17.186 -10.998 -4.395 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -19.839 -12.157 -2.000 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -18.564 -9.067 -4.732 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -22.051 -11.036 -1.761 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -20.785 -7.955 -4.507 1.00 0.00 H new ATOM 0 HH TYR A 61 -22.809 -7.992 -3.540 1.00 0.00 H new ATOM 982 N ILE A 62 -15.592 -13.743 -3.489 1.00 0.00 N ATOM 983 CA ILE A 62 -14.388 -14.369 -4.096 1.00 0.00 C ATOM 984 C ILE A 62 -14.754 -15.758 -4.629 1.00 0.00 C ATOM 985 O ILE A 62 -14.428 -16.113 -5.745 1.00 0.00 O ATOM 986 CB ILE A 62 -13.295 -14.499 -3.027 1.00 0.00 C ATOM 987 CG1 ILE A 62 -12.845 -13.106 -2.577 1.00 0.00 C ATOM 988 CG2 ILE A 62 -12.096 -15.252 -3.602 1.00 0.00 C ATOM 989 CD1 ILE A 62 -12.351 -12.306 -3.783 1.00 0.00 C ATOM 0 H ILE A 62 -15.516 -13.537 -2.493 1.00 0.00 H new ATOM 0 HA ILE A 62 -14.023 -13.751 -4.917 1.00 0.00 H new ATOM 0 HB ILE A 62 -13.696 -15.048 -2.175 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -13.673 -12.584 -2.097 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -12.050 -13.192 -1.836 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -11.323 -15.342 -2.839 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -12.409 -16.246 -3.920 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -11.700 -14.706 -4.458 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -12.032 -11.316 -3.457 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -11.510 -12.824 -4.244 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -13.158 -12.207 -4.509 1.00 0.00 H new ATOM 1001 N ASN A 63 -15.427 -16.548 -3.837 1.00 0.00 N ATOM 1002 CA ASN A 63 -15.810 -17.914 -4.295 1.00 0.00 C ATOM 1003 C ASN A 63 -16.927 -17.814 -5.335 1.00 0.00 C ATOM 1004 O ASN A 63 -16.992 -18.592 -6.266 1.00 0.00 O ATOM 1005 CB ASN A 63 -16.301 -18.731 -3.098 1.00 0.00 C ATOM 1006 CG ASN A 63 -15.711 -20.141 -3.162 1.00 0.00 C ATOM 1007 OD1 ASN A 63 -15.140 -20.528 -4.163 1.00 0.00 O ATOM 1008 ND2 ASN A 63 -15.827 -20.932 -2.130 1.00 0.00 N ATOM 0 H ASN A 63 -15.728 -16.307 -2.893 1.00 0.00 H new ATOM 0 HA ASN A 63 -14.944 -18.402 -4.742 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -16.007 -18.245 -2.168 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -17.390 -18.781 -3.101 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -15.439 -21.875 -2.164 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -16.306 -20.607 -1.290 1.00 0.00 H new ATOM 1015 N SER A 64 -17.809 -16.864 -5.184 1.00 0.00 N ATOM 1016 CA SER A 64 -18.922 -16.719 -6.166 1.00 0.00 C ATOM 1017 C SER A 64 -18.372 -16.223 -7.507 1.00 0.00 C ATOM 1018 O SER A 64 -19.019 -16.334 -8.529 1.00 0.00 O ATOM 1019 CB SER A 64 -19.943 -15.713 -5.631 1.00 0.00 C ATOM 1020 OG SER A 64 -20.826 -15.334 -6.677 1.00 0.00 O ATOM 0 H SER A 64 -17.808 -16.183 -4.425 1.00 0.00 H new ATOM 0 HA SER A 64 -19.402 -17.687 -6.311 1.00 0.00 H new ATOM 0 HB2 SER A 64 -20.505 -16.152 -4.807 1.00 0.00 H new ATOM 0 HB3 SER A 64 -19.432 -14.835 -5.236 1.00 0.00 H new ATOM 0 HG SER A 64 -21.647 -14.962 -6.293 1.00 0.00 H new ATOM 1026 N LEU A 65 -17.187 -15.673 -7.515 1.00 0.00 N ATOM 1027 CA LEU A 65 -16.606 -15.171 -8.793 1.00 0.00 C ATOM 1028 C LEU A 65 -16.621 -16.288 -9.840 1.00 0.00 C ATOM 1029 O LEU A 65 -17.113 -16.116 -10.937 1.00 0.00 O ATOM 1030 CB LEU A 65 -15.166 -14.716 -8.555 1.00 0.00 C ATOM 1031 CG LEU A 65 -15.146 -13.219 -8.242 1.00 0.00 C ATOM 1032 CD1 LEU A 65 -13.724 -12.796 -7.864 1.00 0.00 C ATOM 1033 CD2 LEU A 65 -15.602 -12.435 -9.474 1.00 0.00 C ATOM 0 H LEU A 65 -16.597 -15.550 -6.692 1.00 0.00 H new ATOM 0 HA LEU A 65 -17.199 -14.330 -9.153 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -14.729 -15.276 -7.729 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -14.559 -14.922 -9.436 1.00 0.00 H new ATOM 0 HG LEU A 65 -15.819 -13.012 -7.410 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -13.709 -11.729 -7.641 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -13.399 -13.355 -6.986 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -13.050 -13.002 -8.695 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -15.588 -11.368 -9.252 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -14.929 -12.641 -10.306 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -16.614 -12.736 -9.743 1.00 0.00 H new ATOM 1147 N SER B 5 -9.086 3.257 -3.089 1.00 0.00 N ATOM 1148 CA SER B 5 -10.162 2.274 -3.397 1.00 0.00 C ATOM 1149 C SER B 5 -9.555 1.061 -4.102 1.00 0.00 C ATOM 1150 O SER B 5 -9.939 -0.064 -3.862 1.00 0.00 O ATOM 1151 CB SER B 5 -11.201 2.927 -4.310 1.00 0.00 C ATOM 1152 OG SER B 5 -10.553 3.477 -5.449 1.00 0.00 O ATOM 0 HA SER B 5 -10.641 1.955 -2.471 1.00 0.00 H new ATOM 0 HB2 SER B 5 -11.942 2.190 -4.620 1.00 0.00 H new ATOM 0 HB3 SER B 5 -11.735 3.708 -3.770 1.00 0.00 H new ATOM 0 HG SER B 5 -9.630 3.712 -5.219 1.00 0.00 H new ATOM 1158 N ASP B 6 -8.609 1.283 -4.971 1.00 0.00 N ATOM 1159 CA ASP B 6 -7.971 0.146 -5.694 1.00 0.00 C ATOM 1160 C ASP B 6 -6.595 -0.117 -5.089 1.00 0.00 C ATOM 1161 O ASP B 6 -6.372 0.125 -3.919 1.00 0.00 O ATOM 1162 CB ASP B 6 -7.841 0.510 -7.180 1.00 0.00 C ATOM 1163 CG ASP B 6 -6.900 1.709 -7.343 1.00 0.00 C ATOM 1164 OD1 ASP B 6 -6.477 2.252 -6.335 1.00 0.00 O ATOM 1165 OD2 ASP B 6 -6.621 2.066 -8.477 1.00 0.00 O ATOM 0 H ASP B 6 -8.248 2.206 -5.213 1.00 0.00 H new ATOM 0 HA ASP B 6 -8.579 -0.754 -5.600 1.00 0.00 H new ATOM 0 HB2 ASP B 6 -7.458 -0.343 -7.740 1.00 0.00 H new ATOM 0 HB3 ASP B 6 -8.822 0.748 -7.592 1.00 0.00 H new ATOM 1170 N THR B 7 -5.671 -0.622 -5.858 1.00 0.00 N ATOM 1171 CA THR B 7 -4.331 -0.902 -5.292 1.00 0.00 C ATOM 1172 C THR B 7 -3.517 0.392 -5.232 1.00 0.00 C ATOM 1173 O THR B 7 -3.930 1.421 -5.730 1.00 0.00 O ATOM 1174 CB THR B 7 -3.605 -1.931 -6.164 1.00 0.00 C ATOM 1175 OG1 THR B 7 -2.353 -2.250 -5.574 1.00 0.00 O ATOM 1176 CG2 THR B 7 -3.376 -1.352 -7.564 1.00 0.00 C ATOM 0 H THR B 7 -5.788 -0.850 -6.845 1.00 0.00 H new ATOM 0 HA THR B 7 -4.443 -1.303 -4.285 1.00 0.00 H new ATOM 0 HB THR B 7 -4.213 -2.832 -6.242 1.00 0.00 H new ATOM 0 HG1 THR B 7 -2.449 -2.280 -4.599 1.00 0.00 H new ATOM 0 HG21 THR B 7 -2.859 -2.087 -8.182 1.00 0.00 H new ATOM 0 HG22 THR B 7 -4.336 -1.107 -8.018 1.00 0.00 H new ATOM 0 HG23 THR B 7 -2.769 -0.450 -7.490 1.00 0.00 H new ATOM 1184 N THR B 8 -2.363 0.349 -4.627 1.00 0.00 N ATOM 1185 CA THR B 8 -1.522 1.575 -4.537 1.00 0.00 C ATOM 1186 C THR B 8 -0.040 1.184 -4.668 1.00 0.00 C ATOM 1187 O THR B 8 0.458 0.409 -3.875 1.00 0.00 O ATOM 1188 CB THR B 8 -1.752 2.253 -3.184 1.00 0.00 C ATOM 1189 OG1 THR B 8 -3.146 2.352 -2.936 1.00 0.00 O ATOM 1190 CG2 THR B 8 -1.137 3.653 -3.206 1.00 0.00 C ATOM 0 H THR B 8 -1.966 -0.483 -4.191 1.00 0.00 H new ATOM 0 HA THR B 8 -1.792 2.263 -5.338 1.00 0.00 H new ATOM 0 HB THR B 8 -1.284 1.663 -2.396 1.00 0.00 H new ATOM 0 HG1 THR B 8 -3.311 3.053 -2.272 1.00 0.00 H new ATOM 0 HG21 THR B 8 -1.300 4.137 -2.243 1.00 0.00 H new ATOM 0 HG22 THR B 8 -0.067 3.577 -3.398 1.00 0.00 H new ATOM 0 HG23 THR B 8 -1.605 4.244 -3.993 1.00 0.00 H new ATOM 1198 N PRO B 9 0.629 1.726 -5.667 1.00 0.00 N ATOM 1199 CA PRO B 9 2.052 1.428 -5.897 1.00 0.00 C ATOM 1200 C PRO B 9 2.886 1.850 -4.686 1.00 0.00 C ATOM 1201 O PRO B 9 2.818 2.977 -4.234 1.00 0.00 O ATOM 1202 CB PRO B 9 2.430 2.262 -7.133 1.00 0.00 C ATOM 1203 CG PRO B 9 1.165 3.036 -7.583 1.00 0.00 C ATOM 1204 CD PRO B 9 0.031 2.668 -6.633 1.00 0.00 C ATOM 0 HA PRO B 9 2.235 0.364 -6.047 1.00 0.00 H new ATOM 0 HB2 PRO B 9 3.238 2.954 -6.895 1.00 0.00 H new ATOM 0 HB3 PRO B 9 2.789 1.617 -7.935 1.00 0.00 H new ATOM 0 HG2 PRO B 9 1.347 4.110 -7.562 1.00 0.00 H new ATOM 0 HG3 PRO B 9 0.903 2.777 -8.609 1.00 0.00 H new ATOM 0 HD2 PRO B 9 -0.364 3.551 -6.130 1.00 0.00 H new ATOM 0 HD3 PRO B 9 -0.799 2.209 -7.169 1.00 0.00 H new ATOM 1212 N CYS B 10 3.668 0.952 -4.151 1.00 0.00 N ATOM 1213 CA CYS B 10 4.500 1.297 -2.963 1.00 0.00 C ATOM 1214 C CYS B 10 5.509 0.185 -2.717 1.00 0.00 C ATOM 1215 O CYS B 10 5.253 -0.974 -2.975 1.00 0.00 O ATOM 1216 CB CYS B 10 3.585 1.463 -1.742 1.00 0.00 C ATOM 1217 SG CYS B 10 4.562 1.686 -0.228 1.00 0.00 S ATOM 0 H CYS B 10 3.767 -0.006 -4.486 1.00 0.00 H new ATOM 0 HA CYS B 10 5.036 2.230 -3.138 1.00 0.00 H new ATOM 0 HB2 CYS B 10 2.930 2.322 -1.887 1.00 0.00 H new ATOM 0 HB3 CYS B 10 2.944 0.587 -1.641 1.00 0.00 H new ATOM 1222 N CYS B 11 6.661 0.533 -2.221 1.00 0.00 N ATOM 1223 CA CYS B 11 7.686 -0.502 -1.964 1.00 0.00 C ATOM 1224 C CYS B 11 7.344 -1.225 -0.653 1.00 0.00 C ATOM 1225 O CYS B 11 6.772 -0.656 0.255 1.00 0.00 O ATOM 1226 CB CYS B 11 9.082 0.161 -1.901 1.00 0.00 C ATOM 1227 SG CYS B 11 10.266 -0.846 -0.962 1.00 0.00 S ATOM 0 H CYS B 11 6.933 1.487 -1.984 1.00 0.00 H new ATOM 0 HA CYS B 11 7.701 -1.237 -2.769 1.00 0.00 H new ATOM 0 HB2 CYS B 11 9.457 0.314 -2.913 1.00 0.00 H new ATOM 0 HB3 CYS B 11 8.996 1.145 -1.440 1.00 0.00 H new ATOM 1232 N PHE B 12 7.706 -2.475 -0.552 1.00 0.00 N ATOM 1233 CA PHE B 12 7.426 -3.242 0.692 1.00 0.00 C ATOM 1234 C PHE B 12 8.741 -3.451 1.447 1.00 0.00 C ATOM 1235 O PHE B 12 8.764 -3.597 2.653 1.00 0.00 O ATOM 1236 CB PHE B 12 6.814 -4.599 0.326 1.00 0.00 C ATOM 1237 CG PHE B 12 6.613 -5.432 1.572 1.00 0.00 C ATOM 1238 CD1 PHE B 12 6.132 -4.831 2.758 1.00 0.00 C ATOM 1239 CD2 PHE B 12 6.902 -6.815 1.548 1.00 0.00 C ATOM 1240 CE1 PHE B 12 5.942 -5.613 3.919 1.00 0.00 C ATOM 1241 CE2 PHE B 12 6.710 -7.596 2.709 1.00 0.00 C ATOM 1242 CZ PHE B 12 6.230 -6.996 3.894 1.00 0.00 C ATOM 0 H PHE B 12 8.186 -3.000 -1.283 1.00 0.00 H new ATOM 0 HA PHE B 12 6.725 -2.694 1.321 1.00 0.00 H new ATOM 0 HB2 PHE B 12 5.860 -4.452 -0.180 1.00 0.00 H new ATOM 0 HB3 PHE B 12 7.467 -5.125 -0.371 1.00 0.00 H new ATOM 0 HD1 PHE B 12 5.910 -3.774 2.776 1.00 0.00 H new ATOM 0 HD2 PHE B 12 7.269 -7.275 0.642 1.00 0.00 H new ATOM 0 HE1 PHE B 12 5.577 -5.154 4.826 1.00 0.00 H new ATOM 0 HE2 PHE B 12 6.930 -8.653 2.691 1.00 0.00 H new ATOM 0 HZ PHE B 12 6.083 -7.594 4.781 1.00 0.00 H new ATOM 1252 N ALA B 13 9.838 -3.459 0.739 1.00 0.00 N ATOM 1253 CA ALA B 13 11.160 -3.649 1.400 1.00 0.00 C ATOM 1254 C ALA B 13 12.257 -3.151 0.471 1.00 0.00 C ATOM 1255 O ALA B 13 12.155 -3.248 -0.736 1.00 0.00 O ATOM 1256 CB ALA B 13 11.375 -5.133 1.705 1.00 0.00 C ATOM 0 H ALA B 13 9.875 -3.342 -0.274 1.00 0.00 H new ATOM 0 HA ALA B 13 11.188 -3.087 2.333 1.00 0.00 H new ATOM 0 HB1 ALA B 13 12.343 -5.269 2.188 1.00 0.00 H new ATOM 0 HB2 ALA B 13 10.585 -5.486 2.368 1.00 0.00 H new ATOM 0 HB3 ALA B 13 11.350 -5.703 0.776 1.00 0.00 H new ATOM 1262 N TYR B 14 13.305 -2.608 1.022 1.00 0.00 N ATOM 1263 CA TYR B 14 14.401 -2.097 0.155 1.00 0.00 C ATOM 1264 C TYR B 14 15.543 -3.115 0.133 1.00 0.00 C ATOM 1265 O TYR B 14 15.868 -3.719 1.136 1.00 0.00 O ATOM 1266 CB TYR B 14 14.939 -0.734 0.648 1.00 0.00 C ATOM 1267 CG TYR B 14 14.257 -0.296 1.927 1.00 0.00 C ATOM 1268 CD1 TYR B 14 14.754 -0.728 3.178 1.00 0.00 C ATOM 1269 CD2 TYR B 14 13.120 0.542 1.871 1.00 0.00 C ATOM 1270 CE1 TYR B 14 14.114 -0.323 4.371 1.00 0.00 C ATOM 1271 CE2 TYR B 14 12.478 0.945 3.064 1.00 0.00 C ATOM 1272 CZ TYR B 14 12.976 0.513 4.313 1.00 0.00 C ATOM 1273 OH TYR B 14 12.349 0.905 5.479 1.00 0.00 O ATOM 0 H TYR B 14 13.450 -2.496 2.025 1.00 0.00 H new ATOM 0 HA TYR B 14 13.997 -1.953 -0.847 1.00 0.00 H new ATOM 0 HB2 TYR B 14 16.014 -0.805 0.814 1.00 0.00 H new ATOM 0 HB3 TYR B 14 14.785 0.020 -0.124 1.00 0.00 H new ATOM 0 HD1 TYR B 14 15.623 -1.368 3.222 1.00 0.00 H new ATOM 0 HD2 TYR B 14 12.741 0.875 0.916 1.00 0.00 H new ATOM 0 HE1 TYR B 14 14.494 -0.652 5.327 1.00 0.00 H new ATOM 0 HE2 TYR B 14 11.607 1.583 3.020 1.00 0.00 H new ATOM 0 HH TYR B 14 11.584 1.478 5.262 1.00 0.00 H new ATOM 1283 N ILE B 15 16.156 -3.309 -1.002 1.00 0.00 N ATOM 1284 CA ILE B 15 17.275 -4.287 -1.086 1.00 0.00 C ATOM 1285 C ILE B 15 18.512 -3.703 -0.405 1.00 0.00 C ATOM 1286 O ILE B 15 18.509 -2.577 0.053 1.00 0.00 O ATOM 1287 CB ILE B 15 17.594 -4.573 -2.555 1.00 0.00 C ATOM 1288 CG1 ILE B 15 17.738 -3.251 -3.311 1.00 0.00 C ATOM 1289 CG2 ILE B 15 16.458 -5.393 -3.172 1.00 0.00 C ATOM 1290 CD1 ILE B 15 18.556 -3.477 -4.584 1.00 0.00 C ATOM 0 H ILE B 15 15.930 -2.832 -1.875 1.00 0.00 H new ATOM 0 HA ILE B 15 16.986 -5.213 -0.589 1.00 0.00 H new ATOM 0 HB ILE B 15 18.526 -5.134 -2.623 1.00 0.00 H new ATOM 0 HG12 ILE B 15 16.754 -2.855 -3.564 1.00 0.00 H new ATOM 0 HG13 ILE B 15 18.227 -2.510 -2.679 1.00 0.00 H new ATOM 0 HG21 ILE B 15 16.684 -5.598 -4.219 1.00 0.00 H new ATOM 0 HG22 ILE B 15 16.354 -6.334 -2.632 1.00 0.00 H new ATOM 0 HG23 ILE B 15 15.526 -4.832 -3.105 1.00 0.00 H new ATOM 0 HD11 ILE B 15 18.659 -2.535 -5.123 1.00 0.00 H new ATOM 0 HD12 ILE B 15 19.544 -3.853 -4.319 1.00 0.00 H new ATOM 0 HD13 ILE B 15 18.049 -4.204 -5.218 1.00 0.00 H new ATOM 1302 N ALA B 16 19.572 -4.458 -0.336 1.00 0.00 N ATOM 1303 CA ALA B 16 20.810 -3.947 0.311 1.00 0.00 C ATOM 1304 C ALA B 16 21.878 -3.713 -0.757 1.00 0.00 C ATOM 1305 O ALA B 16 22.802 -4.486 -0.909 1.00 0.00 O ATOM 1306 CB ALA B 16 21.313 -4.974 1.325 1.00 0.00 C ATOM 0 H ALA B 16 19.634 -5.409 -0.701 1.00 0.00 H new ATOM 0 HA ALA B 16 20.597 -3.008 0.823 1.00 0.00 H new ATOM 0 HB1 ALA B 16 22.220 -4.602 1.800 1.00 0.00 H new ATOM 0 HB2 ALA B 16 20.548 -5.141 2.083 1.00 0.00 H new ATOM 0 HB3 ALA B 16 21.530 -5.913 0.815 1.00 0.00 H new ATOM 1312 N ARG B 17 21.753 -2.651 -1.504 1.00 0.00 N ATOM 1313 CA ARG B 17 22.752 -2.360 -2.569 1.00 0.00 C ATOM 1314 C ARG B 17 22.319 -1.095 -3.330 1.00 0.00 C ATOM 1315 O ARG B 17 21.394 -1.150 -4.116 1.00 0.00 O ATOM 1316 CB ARG B 17 22.811 -3.540 -3.543 1.00 0.00 C ATOM 1317 CG ARG B 17 24.204 -4.172 -3.501 1.00 0.00 C ATOM 1318 CD ARG B 17 24.446 -4.959 -4.790 1.00 0.00 C ATOM 1319 NE ARG B 17 24.853 -4.023 -5.877 1.00 0.00 N ATOM 1320 CZ ARG B 17 25.784 -4.371 -6.722 1.00 0.00 C ATOM 1321 NH1 ARG B 17 27.019 -4.493 -6.319 1.00 0.00 N ATOM 1322 NH2 ARG B 17 25.481 -4.596 -7.971 1.00 0.00 N ATOM 0 H ARG B 17 20.998 -1.970 -1.422 1.00 0.00 H new ATOM 0 HA ARG B 17 23.734 -2.205 -2.122 1.00 0.00 H new ATOM 0 HB2 ARG B 17 22.057 -4.281 -3.278 1.00 0.00 H new ATOM 0 HB3 ARG B 17 22.585 -3.202 -4.554 1.00 0.00 H new ATOM 0 HG2 ARG B 17 24.963 -3.398 -3.387 1.00 0.00 H new ATOM 0 HG3 ARG B 17 24.290 -4.832 -2.638 1.00 0.00 H new ATOM 0 HD2 ARG B 17 25.222 -5.708 -4.631 1.00 0.00 H new ATOM 0 HD3 ARG B 17 23.541 -5.494 -5.077 1.00 0.00 H new ATOM 0 HE ARG B 17 24.404 -3.111 -5.960 1.00 0.00 H new ATOM 0 HH11 ARG B 17 27.257 -4.316 -5.343 1.00 0.00 H new ATOM 0 HH12 ARG B 17 27.747 -4.765 -6.980 1.00 0.00 H new ATOM 0 HH21 ARG B 17 24.516 -4.500 -8.287 1.00 0.00 H new ATOM 0 HH22 ARG B 17 26.209 -4.868 -8.631 1.00 0.00 H new ATOM 1336 N PRO B 18 22.988 0.017 -3.083 1.00 0.00 N ATOM 1337 CA PRO B 18 22.648 1.281 -3.756 1.00 0.00 C ATOM 1338 C PRO B 18 22.638 1.103 -5.274 1.00 0.00 C ATOM 1339 O PRO B 18 23.615 0.695 -5.870 1.00 0.00 O ATOM 1340 CB PRO B 18 23.749 2.263 -3.332 1.00 0.00 C ATOM 1341 CG PRO B 18 24.690 1.520 -2.349 1.00 0.00 C ATOM 1342 CD PRO B 18 24.120 0.111 -2.138 1.00 0.00 C ATOM 0 HA PRO B 18 21.654 1.635 -3.482 1.00 0.00 H new ATOM 0 HB2 PRO B 18 24.304 2.614 -4.202 1.00 0.00 H new ATOM 0 HB3 PRO B 18 23.315 3.142 -2.855 1.00 0.00 H new ATOM 0 HG2 PRO B 18 25.701 1.468 -2.752 1.00 0.00 H new ATOM 0 HG3 PRO B 18 24.752 2.054 -1.401 1.00 0.00 H new ATOM 0 HD2 PRO B 18 24.870 -0.654 -2.341 1.00 0.00 H new ATOM 0 HD3 PRO B 18 23.790 -0.032 -1.109 1.00 0.00 H new ATOM 1350 N LEU B 19 21.538 1.415 -5.906 1.00 0.00 N ATOM 1351 CA LEU B 19 21.464 1.275 -7.387 1.00 0.00 C ATOM 1352 C LEU B 19 22.126 2.505 -8.029 1.00 0.00 C ATOM 1353 O LEU B 19 21.727 3.614 -7.745 1.00 0.00 O ATOM 1354 CB LEU B 19 19.999 1.213 -7.837 1.00 0.00 C ATOM 1355 CG LEU B 19 19.178 0.343 -6.880 1.00 0.00 C ATOM 1356 CD1 LEU B 19 17.734 0.265 -7.380 1.00 0.00 C ATOM 1357 CD2 LEU B 19 19.773 -1.065 -6.827 1.00 0.00 C ATOM 0 H LEU B 19 20.688 1.761 -5.460 1.00 0.00 H new ATOM 0 HA LEU B 19 21.973 0.360 -7.691 1.00 0.00 H new ATOM 0 HB2 LEU B 19 19.581 2.219 -7.872 1.00 0.00 H new ATOM 0 HB3 LEU B 19 19.940 0.808 -8.847 1.00 0.00 H new ATOM 0 HG LEU B 19 19.198 0.782 -5.883 1.00 0.00 H new ATOM 0 HD11 LEU B 19 17.147 -0.354 -6.701 1.00 0.00 H new ATOM 0 HD12 LEU B 19 17.308 1.267 -7.418 1.00 0.00 H new ATOM 0 HD13 LEU B 19 17.718 -0.175 -8.377 1.00 0.00 H new ATOM 0 HD21 LEU B 19 19.187 -1.682 -6.146 1.00 0.00 H new ATOM 0 HD22 LEU B 19 19.753 -1.506 -7.824 1.00 0.00 H new ATOM 0 HD23 LEU B 19 20.803 -1.012 -6.474 1.00 0.00 H new ATOM 1369 N PRO B 20 23.116 2.298 -8.874 1.00 0.00 N ATOM 1370 CA PRO B 20 23.803 3.423 -9.530 1.00 0.00 C ATOM 1371 C PRO B 20 22.790 4.296 -10.273 1.00 0.00 C ATOM 1372 O PRO B 20 22.064 3.830 -11.128 1.00 0.00 O ATOM 1373 CB PRO B 20 24.786 2.769 -10.512 1.00 0.00 C ATOM 1374 CG PRO B 20 24.705 1.234 -10.306 1.00 0.00 C ATOM 1375 CD PRO B 20 23.623 0.962 -9.249 1.00 0.00 C ATOM 0 HA PRO B 20 24.315 4.071 -8.819 1.00 0.00 H new ATOM 0 HB2 PRO B 20 24.532 3.031 -11.539 1.00 0.00 H new ATOM 0 HB3 PRO B 20 25.800 3.126 -10.333 1.00 0.00 H new ATOM 0 HG2 PRO B 20 24.459 0.735 -11.243 1.00 0.00 H new ATOM 0 HG3 PRO B 20 25.667 0.841 -9.979 1.00 0.00 H new ATOM 0 HD2 PRO B 20 22.827 0.335 -9.651 1.00 0.00 H new ATOM 0 HD3 PRO B 20 24.036 0.439 -8.386 1.00 0.00 H new ATOM 1383 N ARG B 21 22.729 5.563 -9.943 1.00 0.00 N ATOM 1384 CA ARG B 21 21.754 6.475 -10.618 1.00 0.00 C ATOM 1385 C ARG B 21 21.817 6.283 -12.138 1.00 0.00 C ATOM 1386 O ARG B 21 20.854 6.509 -12.843 1.00 0.00 O ATOM 1387 CB ARG B 21 22.071 7.937 -10.258 1.00 0.00 C ATOM 1388 CG ARG B 21 23.389 8.381 -10.908 1.00 0.00 C ATOM 1389 CD ARG B 21 24.568 7.745 -10.170 1.00 0.00 C ATOM 1390 NE ARG B 21 25.786 8.580 -10.365 1.00 0.00 N ATOM 1391 CZ ARG B 21 26.268 8.763 -11.564 1.00 0.00 C ATOM 1392 NH1 ARG B 21 25.775 9.697 -12.330 1.00 0.00 N ATOM 1393 NH2 ARG B 21 27.242 8.010 -11.998 1.00 0.00 N ATOM 0 H ARG B 21 23.314 6.006 -9.234 1.00 0.00 H new ATOM 0 HA ARG B 21 20.748 6.234 -10.275 1.00 0.00 H new ATOM 0 HB2 ARG B 21 21.259 8.583 -10.592 1.00 0.00 H new ATOM 0 HB3 ARG B 21 22.139 8.044 -9.175 1.00 0.00 H new ATOM 0 HG2 ARG B 21 23.404 8.089 -11.958 1.00 0.00 H new ATOM 0 HG3 ARG B 21 23.472 9.467 -10.878 1.00 0.00 H new ATOM 0 HD2 ARG B 21 24.341 7.657 -9.108 1.00 0.00 H new ATOM 0 HD3 ARG B 21 24.743 6.736 -10.543 1.00 0.00 H new ATOM 0 HE ARG B 21 26.244 9.009 -9.561 1.00 0.00 H new ATOM 0 HH11 ARG B 21 25.013 10.284 -11.992 1.00 0.00 H new ATOM 0 HH12 ARG B 21 26.152 9.840 -13.267 1.00 0.00 H new ATOM 0 HH21 ARG B 21 27.626 7.279 -11.400 1.00 0.00 H new ATOM 0 HH22 ARG B 21 27.619 8.153 -12.935 1.00 0.00 H new ATOM 1407 N ALA B 22 22.943 5.864 -12.645 1.00 0.00 N ATOM 1408 CA ALA B 22 23.063 5.656 -14.114 1.00 0.00 C ATOM 1409 C ALA B 22 22.221 4.448 -14.522 1.00 0.00 C ATOM 1410 O ALA B 22 21.460 4.501 -15.468 1.00 0.00 O ATOM 1411 CB ALA B 22 24.527 5.405 -14.478 1.00 0.00 C ATOM 0 H ALA B 22 23.784 5.657 -12.106 1.00 0.00 H new ATOM 0 HA ALA B 22 22.709 6.543 -14.639 1.00 0.00 H new ATOM 0 HB1 ALA B 22 24.613 5.253 -15.554 1.00 0.00 H new ATOM 0 HB2 ALA B 22 25.128 6.266 -14.184 1.00 0.00 H new ATOM 0 HB3 ALA B 22 24.885 4.517 -13.956 1.00 0.00 H new ATOM 1417 N HIS B 23 22.347 3.360 -13.815 1.00 0.00 N ATOM 1418 CA HIS B 23 21.551 2.154 -14.166 1.00 0.00 C ATOM 1419 C HIS B 23 20.065 2.458 -13.985 1.00 0.00 C ATOM 1420 O HIS B 23 19.222 1.874 -14.636 1.00 0.00 O ATOM 1421 CB HIS B 23 21.941 0.993 -13.250 1.00 0.00 C ATOM 1422 CG HIS B 23 23.400 0.676 -13.429 1.00 0.00 C ATOM 1423 ND1 HIS B 23 24.448 1.417 -13.921 1.00 0.00 N flip ATOM 1424 CD2 HIS B 23 23.941 -0.552 -13.067 1.00 0.00 C flip ATOM 1425 CE1 HIS B 23 25.613 0.663 -13.864 1.00 0.00 C flip ATOM 1426 NE2 HIS B 23 25.250 -0.517 -13.340 1.00 0.00 N flip ATOM 0 H HIS B 23 22.966 3.255 -13.011 1.00 0.00 H new ATOM 0 HA HIS B 23 21.749 1.881 -15.203 1.00 0.00 H new ATOM 0 HB2 HIS B 23 21.740 1.253 -12.211 1.00 0.00 H new ATOM 0 HB3 HIS B 23 21.337 0.116 -13.481 1.00 0.00 H new ATOM 0 HD2 HIS B 23 23.401 -1.385 -12.642 1.00 0.00 H new ATOM 0 HE1 HIS B 23 26.602 0.963 -14.176 1.00 0.00 H new ATOM 0 HE2 HIS B 23 25.892 -1.291 -13.171 1.00 0.00 H new ATOM 1434 N ILE B 24 19.731 3.369 -13.109 1.00 0.00 N ATOM 1435 CA ILE B 24 18.292 3.690 -12.903 1.00 0.00 C ATOM 1436 C ILE B 24 17.832 4.692 -13.963 1.00 0.00 C ATOM 1437 O ILE B 24 18.629 5.384 -14.566 1.00 0.00 O ATOM 1438 CB ILE B 24 18.070 4.306 -11.525 1.00 0.00 C ATOM 1439 CG1 ILE B 24 18.843 3.523 -10.461 1.00 0.00 C ATOM 1440 CG2 ILE B 24 16.575 4.279 -11.196 1.00 0.00 C ATOM 1441 CD1 ILE B 24 18.592 4.145 -9.084 1.00 0.00 C ATOM 0 H ILE B 24 20.386 3.899 -12.534 1.00 0.00 H new ATOM 0 HA ILE B 24 17.721 2.765 -12.982 1.00 0.00 H new ATOM 0 HB ILE B 24 18.429 5.335 -11.533 1.00 0.00 H new ATOM 0 HG12 ILE B 24 18.529 2.479 -10.463 1.00 0.00 H new ATOM 0 HG13 ILE B 24 19.909 3.535 -10.688 1.00 0.00 H new ATOM 0 HG21 ILE B 24 16.411 4.718 -10.212 1.00 0.00 H new ATOM 0 HG22 ILE B 24 16.027 4.851 -11.945 1.00 0.00 H new ATOM 0 HG23 ILE B 24 16.221 3.248 -11.197 1.00 0.00 H new ATOM 0 HD11 ILE B 24 19.143 3.587 -8.327 1.00 0.00 H new ATOM 0 HD12 ILE B 24 18.928 5.182 -9.086 1.00 0.00 H new ATOM 0 HD13 ILE B 24 17.526 4.109 -8.857 1.00 0.00 H new ATOM 1453 N LYS B 25 16.551 4.782 -14.188 1.00 0.00 N ATOM 1454 CA LYS B 25 16.035 5.749 -15.200 1.00 0.00 C ATOM 1455 C LYS B 25 15.086 6.749 -14.526 1.00 0.00 C ATOM 1456 O LYS B 25 14.834 7.822 -15.037 1.00 0.00 O ATOM 1457 CB LYS B 25 15.279 4.987 -16.292 1.00 0.00 C ATOM 1458 CG LYS B 25 16.260 4.116 -17.079 1.00 0.00 C ATOM 1459 CD LYS B 25 16.785 4.899 -18.284 1.00 0.00 C ATOM 1460 CE LYS B 25 16.196 4.313 -19.570 1.00 0.00 C ATOM 1461 NZ LYS B 25 14.774 4.739 -19.703 1.00 0.00 N ATOM 0 H LYS B 25 15.837 4.228 -13.715 1.00 0.00 H new ATOM 0 HA LYS B 25 16.872 6.289 -15.642 1.00 0.00 H new ATOM 0 HB2 LYS B 25 14.502 4.366 -15.846 1.00 0.00 H new ATOM 0 HB3 LYS B 25 14.781 5.688 -16.961 1.00 0.00 H new ATOM 0 HG2 LYS B 25 17.089 3.814 -16.439 1.00 0.00 H new ATOM 0 HG3 LYS B 25 15.766 3.203 -17.412 1.00 0.00 H new ATOM 0 HD2 LYS B 25 16.514 5.951 -18.194 1.00 0.00 H new ATOM 0 HD3 LYS B 25 17.874 4.852 -18.316 1.00 0.00 H new ATOM 0 HE2 LYS B 25 16.770 4.651 -20.433 1.00 0.00 H new ATOM 0 HE3 LYS B 25 16.261 3.225 -19.550 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 14.373 4.342 -20.576 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 14.231 4.396 -18.885 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 14.725 5.777 -19.741 1.00 0.00 H new ATOM 1475 N GLU B 26 14.552 6.403 -13.384 1.00 0.00 N ATOM 1476 CA GLU B 26 13.614 7.312 -12.671 1.00 0.00 C ATOM 1477 C GLU B 26 13.406 6.755 -11.260 1.00 0.00 C ATOM 1478 O GLU B 26 14.144 5.900 -10.819 1.00 0.00 O ATOM 1479 CB GLU B 26 12.264 7.380 -13.418 1.00 0.00 C ATOM 1480 CG GLU B 26 12.003 6.091 -14.219 1.00 0.00 C ATOM 1481 CD GLU B 26 12.256 6.334 -15.711 1.00 0.00 C ATOM 1482 OE1 GLU B 26 12.674 7.426 -16.058 1.00 0.00 O ATOM 1483 OE2 GLU B 26 12.025 5.418 -16.484 1.00 0.00 O ATOM 0 H GLU B 26 14.730 5.517 -12.911 1.00 0.00 H new ATOM 0 HA GLU B 26 14.025 8.320 -12.626 1.00 0.00 H new ATOM 0 HB2 GLU B 26 11.457 7.536 -12.702 1.00 0.00 H new ATOM 0 HB3 GLU B 26 12.262 8.237 -14.092 1.00 0.00 H new ATOM 0 HG2 GLU B 26 12.651 5.293 -13.858 1.00 0.00 H new ATOM 0 HG3 GLU B 26 10.975 5.761 -14.066 1.00 0.00 H new ATOM 1490 N TYR B 27 12.404 7.198 -10.556 1.00 0.00 N ATOM 1491 CA TYR B 27 12.155 6.660 -9.195 1.00 0.00 C ATOM 1492 C TYR B 27 10.701 6.944 -8.840 1.00 0.00 C ATOM 1493 O TYR B 27 9.979 7.539 -9.618 1.00 0.00 O ATOM 1494 CB TYR B 27 13.123 7.310 -8.191 1.00 0.00 C ATOM 1495 CG TYR B 27 12.693 8.726 -7.872 1.00 0.00 C ATOM 1496 CD1 TYR B 27 13.059 9.789 -8.728 1.00 0.00 C ATOM 1497 CD2 TYR B 27 11.920 8.980 -6.718 1.00 0.00 C ATOM 1498 CE1 TYR B 27 12.651 11.108 -8.427 1.00 0.00 C ATOM 1499 CE2 TYR B 27 11.513 10.299 -6.417 1.00 0.00 C ATOM 1500 CZ TYR B 27 11.878 11.363 -7.272 1.00 0.00 C ATOM 1501 OH TYR B 27 11.481 12.652 -6.977 1.00 0.00 O ATOM 0 H TYR B 27 11.745 7.912 -10.867 1.00 0.00 H new ATOM 0 HA TYR B 27 12.329 5.585 -9.160 1.00 0.00 H new ATOM 0 HB2 TYR B 27 13.155 6.720 -7.275 1.00 0.00 H new ATOM 0 HB3 TYR B 27 14.132 7.315 -8.603 1.00 0.00 H new ATOM 0 HD1 TYR B 27 13.650 9.594 -9.611 1.00 0.00 H new ATOM 0 HD2 TYR B 27 11.640 8.166 -6.066 1.00 0.00 H new ATOM 0 HE1 TYR B 27 12.930 11.922 -9.080 1.00 0.00 H new ATOM 0 HE2 TYR B 27 10.923 10.494 -5.534 1.00 0.00 H new ATOM 0 HH TYR B 27 10.956 12.651 -6.150 1.00 0.00 H new ATOM 1511 N PHE B 28 10.246 6.518 -7.697 1.00 0.00 N ATOM 1512 CA PHE B 28 8.828 6.777 -7.363 1.00 0.00 C ATOM 1513 C PHE B 28 8.659 6.953 -5.847 1.00 0.00 C ATOM 1514 O PHE B 28 8.244 6.050 -5.151 1.00 0.00 O ATOM 1515 CB PHE B 28 7.976 5.604 -7.890 1.00 0.00 C ATOM 1516 CG PHE B 28 6.632 5.554 -7.198 1.00 0.00 C ATOM 1517 CD1 PHE B 28 5.868 6.732 -7.051 1.00 0.00 C ATOM 1518 CD2 PHE B 28 6.187 4.345 -6.623 1.00 0.00 C ATOM 1519 CE1 PHE B 28 4.653 6.698 -6.330 1.00 0.00 C ATOM 1520 CE2 PHE B 28 4.971 4.308 -5.913 1.00 0.00 C ATOM 1521 CZ PHE B 28 4.202 5.485 -5.763 1.00 0.00 C ATOM 0 H PHE B 28 10.785 6.012 -6.994 1.00 0.00 H new ATOM 0 HA PHE B 28 8.495 7.701 -7.836 1.00 0.00 H new ATOM 0 HB2 PHE B 28 7.831 5.710 -8.965 1.00 0.00 H new ATOM 0 HB3 PHE B 28 8.506 4.665 -7.730 1.00 0.00 H new ATOM 0 HD1 PHE B 28 6.211 7.658 -7.489 1.00 0.00 H new ATOM 0 HD2 PHE B 28 6.779 3.448 -6.727 1.00 0.00 H new ATOM 0 HE1 PHE B 28 4.069 7.599 -6.212 1.00 0.00 H new ATOM 0 HE2 PHE B 28 4.626 3.380 -5.483 1.00 0.00 H new ATOM 0 HZ PHE B 28 3.271 5.457 -5.216 1.00 0.00 H new ATOM 1531 N TYR B 29 8.954 8.114 -5.333 1.00 0.00 N ATOM 1532 CA TYR B 29 8.790 8.329 -3.872 1.00 0.00 C ATOM 1533 C TYR B 29 7.354 8.003 -3.468 1.00 0.00 C ATOM 1534 O TYR B 29 6.404 8.433 -4.091 1.00 0.00 O ATOM 1535 CB TYR B 29 9.104 9.779 -3.518 1.00 0.00 C ATOM 1536 CG TYR B 29 8.949 9.983 -2.031 1.00 0.00 C ATOM 1537 CD1 TYR B 29 7.696 10.359 -1.498 1.00 0.00 C ATOM 1538 CD2 TYR B 29 10.055 9.797 -1.174 1.00 0.00 C ATOM 1539 CE1 TYR B 29 7.549 10.547 -0.106 1.00 0.00 C ATOM 1540 CE2 TYR B 29 9.909 9.986 0.218 1.00 0.00 C ATOM 1541 CZ TYR B 29 8.656 10.360 0.753 1.00 0.00 C ATOM 1542 OH TYR B 29 8.512 10.543 2.114 1.00 0.00 O ATOM 0 H TYR B 29 9.299 8.917 -5.858 1.00 0.00 H new ATOM 0 HA TYR B 29 9.478 7.676 -3.335 1.00 0.00 H new ATOM 0 HB2 TYR B 29 10.120 10.027 -3.825 1.00 0.00 H new ATOM 0 HB3 TYR B 29 8.435 10.449 -4.059 1.00 0.00 H new ATOM 0 HD1 TYR B 29 6.851 10.503 -2.155 1.00 0.00 H new ATOM 0 HD2 TYR B 29 11.013 9.510 -1.583 1.00 0.00 H new ATOM 0 HE1 TYR B 29 6.591 10.834 0.302 1.00 0.00 H new ATOM 0 HE2 TYR B 29 10.755 9.845 0.874 1.00 0.00 H new ATOM 0 HH TYR B 29 9.368 10.374 2.559 1.00 0.00 H new ATOM 1552 N THR B 30 7.200 7.243 -2.428 1.00 0.00 N ATOM 1553 CA THR B 30 5.829 6.873 -1.966 1.00 0.00 C ATOM 1554 C THR B 30 5.281 7.970 -1.052 1.00 0.00 C ATOM 1555 O THR B 30 5.941 8.413 -0.132 1.00 0.00 O ATOM 1556 CB THR B 30 5.873 5.547 -1.198 1.00 0.00 C ATOM 1557 OG1 THR B 30 7.221 5.198 -0.913 1.00 0.00 O ATOM 1558 CG2 THR B 30 5.232 4.446 -2.045 1.00 0.00 C ATOM 0 H THR B 30 7.963 6.858 -1.872 1.00 0.00 H new ATOM 0 HA THR B 30 5.181 6.763 -2.835 1.00 0.00 H new ATOM 0 HB THR B 30 5.325 5.657 -0.262 1.00 0.00 H new ATOM 0 HG1 THR B 30 7.243 4.351 -0.421 1.00 0.00 H new ATOM 0 HG21 THR B 30 5.263 3.503 -1.500 1.00 0.00 H new ATOM 0 HG22 THR B 30 4.196 4.708 -2.258 1.00 0.00 H new ATOM 0 HG23 THR B 30 5.780 4.342 -2.981 1.00 0.00 H new ATOM 1566 N SER B 31 4.077 8.410 -1.296 1.00 0.00 N ATOM 1567 CA SER B 31 3.483 9.477 -0.442 1.00 0.00 C ATOM 1568 C SER B 31 3.298 8.945 0.981 1.00 0.00 C ATOM 1569 O SER B 31 3.988 8.041 1.410 1.00 0.00 O ATOM 1570 CB SER B 31 2.127 9.891 -1.018 1.00 0.00 C ATOM 1571 OG SER B 31 2.007 11.306 -0.974 1.00 0.00 O ATOM 0 H SER B 31 3.478 8.076 -2.051 1.00 0.00 H new ATOM 0 HA SER B 31 4.146 10.342 -0.421 1.00 0.00 H new ATOM 0 HB2 SER B 31 2.033 9.539 -2.045 1.00 0.00 H new ATOM 0 HB3 SER B 31 1.321 9.429 -0.448 1.00 0.00 H new ATOM 0 HG SER B 31 1.140 11.572 -1.344 1.00 0.00 H new ATOM 1577 N GLY B 32 2.374 9.499 1.721 1.00 0.00 N ATOM 1578 CA GLY B 32 2.152 9.024 3.116 1.00 0.00 C ATOM 1579 C GLY B 32 1.035 7.978 3.136 1.00 0.00 C ATOM 1580 O GLY B 32 0.373 7.786 4.137 1.00 0.00 O ATOM 0 H GLY B 32 1.765 10.259 1.419 1.00 0.00 H new ATOM 0 HA2 GLY B 32 3.071 8.595 3.515 1.00 0.00 H new ATOM 0 HA3 GLY B 32 1.888 9.864 3.758 1.00 0.00 H new ATOM 1584 N LYS B 33 0.819 7.299 2.043 1.00 0.00 N ATOM 1585 CA LYS B 33 -0.254 6.266 2.011 1.00 0.00 C ATOM 1586 C LYS B 33 0.232 5.011 2.738 1.00 0.00 C ATOM 1587 O LYS B 33 -0.228 4.690 3.816 1.00 0.00 O ATOM 1588 CB LYS B 33 -0.593 5.923 0.559 1.00 0.00 C ATOM 1589 CG LYS B 33 -0.817 7.211 -0.233 1.00 0.00 C ATOM 1590 CD LYS B 33 -1.765 6.937 -1.403 1.00 0.00 C ATOM 1591 CE LYS B 33 -0.953 6.711 -2.680 1.00 0.00 C ATOM 1592 NZ LYS B 33 -0.327 7.994 -3.104 1.00 0.00 N ATOM 0 H LYS B 33 1.338 7.415 1.173 1.00 0.00 H new ATOM 0 HA LYS B 33 -1.146 6.650 2.505 1.00 0.00 H new ATOM 0 HB2 LYS B 33 0.217 5.346 0.113 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -1.487 5.301 0.521 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -1.237 7.980 0.415 1.00 0.00 H new ATOM 0 HG3 LYS B 33 0.135 7.591 -0.604 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -2.378 6.061 -1.190 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -2.446 7.778 -1.537 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -0.184 5.959 -2.506 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -1.598 6.330 -3.471 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -0.348 8.065 -4.141 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -0.854 8.790 -2.692 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 0.659 8.024 -2.775 1.00 0.00 H new ATOM 1606 N CYS B 34 1.161 4.301 2.161 1.00 0.00 N ATOM 1607 CA CYS B 34 1.676 3.070 2.829 1.00 0.00 C ATOM 1608 C CYS B 34 2.673 3.464 3.921 1.00 0.00 C ATOM 1609 O CYS B 34 3.143 4.583 3.969 1.00 0.00 O ATOM 1610 CB CYS B 34 2.363 2.154 1.807 1.00 0.00 C ATOM 1611 SG CYS B 34 3.553 3.095 0.814 1.00 0.00 S ATOM 0 H CYS B 34 1.586 4.518 1.259 1.00 0.00 H new ATOM 0 HA CYS B 34 0.839 2.531 3.273 1.00 0.00 H new ATOM 0 HB2 CYS B 34 2.873 1.341 2.323 1.00 0.00 H new ATOM 0 HB3 CYS B 34 1.616 1.700 1.156 1.00 0.00 H new ATOM 1616 N SER B 35 2.996 2.555 4.801 1.00 0.00 N ATOM 1617 CA SER B 35 3.958 2.882 5.891 1.00 0.00 C ATOM 1618 C SER B 35 5.374 2.491 5.462 1.00 0.00 C ATOM 1619 O SER B 35 6.211 2.161 6.280 1.00 0.00 O ATOM 1620 CB SER B 35 3.577 2.109 7.155 1.00 0.00 C ATOM 1621 OG SER B 35 2.229 1.674 7.056 1.00 0.00 O ATOM 0 H SER B 35 2.635 1.601 4.812 1.00 0.00 H new ATOM 0 HA SER B 35 3.925 3.952 6.094 1.00 0.00 H new ATOM 0 HB2 SER B 35 4.238 1.252 7.283 1.00 0.00 H new ATOM 0 HB3 SER B 35 3.702 2.742 8.033 1.00 0.00 H new ATOM 0 HG SER B 35 1.985 1.177 7.865 1.00 0.00 H new ATOM 1627 N ASN B 36 5.652 2.531 4.189 1.00 0.00 N ATOM 1628 CA ASN B 36 7.015 2.167 3.711 1.00 0.00 C ATOM 1629 C ASN B 36 7.535 3.265 2.773 1.00 0.00 C ATOM 1630 O ASN B 36 7.757 3.015 1.605 1.00 0.00 O ATOM 1631 CB ASN B 36 6.954 0.837 2.958 1.00 0.00 C ATOM 1632 CG ASN B 36 7.419 -0.294 3.878 1.00 0.00 C ATOM 1633 OD1 ASN B 36 6.613 -1.043 4.393 1.00 0.00 O ATOM 1634 ND2 ASN B 36 8.694 -0.448 4.109 1.00 0.00 N ATOM 0 H ASN B 36 4.994 2.800 3.458 1.00 0.00 H new ATOM 0 HA ASN B 36 7.687 2.069 4.564 1.00 0.00 H new ATOM 0 HB2 ASN B 36 5.936 0.647 2.617 1.00 0.00 H new ATOM 0 HB3 ASN B 36 7.585 0.880 2.070 1.00 0.00 H new ATOM 0 HD21 ASN B 36 9.014 -1.198 4.722 1.00 0.00 H new ATOM 0 HD22 ASN B 36 9.370 0.181 3.676 1.00 0.00 H new ATOM 1641 N PRO B 37 7.714 4.458 3.305 1.00 0.00 N ATOM 1642 CA PRO B 37 8.206 5.593 2.507 1.00 0.00 C ATOM 1643 C PRO B 37 9.572 5.262 1.904 1.00 0.00 C ATOM 1644 O PRO B 37 10.394 4.621 2.527 1.00 0.00 O ATOM 1645 CB PRO B 37 8.325 6.756 3.504 1.00 0.00 C ATOM 1646 CG PRO B 37 7.837 6.247 4.885 1.00 0.00 C ATOM 1647 CD PRO B 37 7.447 4.769 4.726 1.00 0.00 C ATOM 0 HA PRO B 37 7.542 5.833 1.676 1.00 0.00 H new ATOM 0 HB2 PRO B 37 9.357 7.101 3.567 1.00 0.00 H new ATOM 0 HB3 PRO B 37 7.724 7.604 3.175 1.00 0.00 H new ATOM 0 HG2 PRO B 37 8.622 6.357 5.633 1.00 0.00 H new ATOM 0 HG3 PRO B 37 6.985 6.833 5.229 1.00 0.00 H new ATOM 0 HD2 PRO B 37 8.034 4.132 5.387 1.00 0.00 H new ATOM 0 HD3 PRO B 37 6.398 4.608 4.976 1.00 0.00 H new ATOM 1655 N ALA B 38 9.816 5.696 0.697 1.00 0.00 N ATOM 1656 CA ALA B 38 11.124 5.410 0.039 1.00 0.00 C ATOM 1657 C ALA B 38 11.113 6.032 -1.369 1.00 0.00 C ATOM 1658 O ALA B 38 10.572 7.099 -1.572 1.00 0.00 O ATOM 1659 CB ALA B 38 11.316 3.888 -0.049 1.00 0.00 C ATOM 0 H ALA B 38 9.161 6.240 0.135 1.00 0.00 H new ATOM 0 HA ALA B 38 11.946 5.837 0.614 1.00 0.00 H new ATOM 0 HB1 ALA B 38 12.270 3.669 -0.529 1.00 0.00 H new ATOM 0 HB2 ALA B 38 11.308 3.462 0.954 1.00 0.00 H new ATOM 0 HB3 ALA B 38 10.507 3.452 -0.635 1.00 0.00 H new ATOM 1665 N VAL B 39 11.680 5.369 -2.346 1.00 0.00 N ATOM 1666 CA VAL B 39 11.675 5.907 -3.734 1.00 0.00 C ATOM 1667 C VAL B 39 11.789 4.713 -4.653 1.00 0.00 C ATOM 1668 O VAL B 39 12.860 4.190 -4.890 1.00 0.00 O ATOM 1669 CB VAL B 39 12.847 6.865 -3.973 1.00 0.00 C ATOM 1670 CG1 VAL B 39 12.474 8.259 -3.475 1.00 0.00 C ATOM 1671 CG2 VAL B 39 14.087 6.369 -3.235 1.00 0.00 C ATOM 0 H VAL B 39 12.149 4.470 -2.236 1.00 0.00 H new ATOM 0 HA VAL B 39 10.763 6.476 -3.916 1.00 0.00 H new ATOM 0 HB VAL B 39 13.064 6.906 -5.040 1.00 0.00 H new ATOM 0 HG11 VAL B 39 13.307 8.941 -3.645 1.00 0.00 H new ATOM 0 HG12 VAL B 39 11.597 8.616 -4.015 1.00 0.00 H new ATOM 0 HG13 VAL B 39 12.251 8.217 -2.409 1.00 0.00 H new ATOM 0 HG21 VAL B 39 14.914 7.056 -3.411 1.00 0.00 H new ATOM 0 HG22 VAL B 39 13.878 6.318 -2.166 1.00 0.00 H new ATOM 0 HG23 VAL B 39 14.355 5.377 -3.600 1.00 0.00 H new ATOM 1681 N VAL B 40 10.686 4.251 -5.140 1.00 0.00 N ATOM 1682 CA VAL B 40 10.713 3.060 -6.008 1.00 0.00 C ATOM 1683 C VAL B 40 11.490 3.379 -7.276 1.00 0.00 C ATOM 1684 O VAL B 40 11.068 4.161 -8.106 1.00 0.00 O ATOM 1685 CB VAL B 40 9.271 2.634 -6.292 1.00 0.00 C ATOM 1686 CG1 VAL B 40 9.122 2.034 -7.690 1.00 0.00 C ATOM 1687 CG2 VAL B 40 8.885 1.575 -5.265 1.00 0.00 C ATOM 0 H VAL B 40 9.762 4.649 -4.974 1.00 0.00 H new ATOM 0 HA VAL B 40 11.220 2.226 -5.523 1.00 0.00 H new ATOM 0 HB VAL B 40 8.628 3.512 -6.232 1.00 0.00 H new ATOM 0 HG11 VAL B 40 8.084 1.744 -7.853 1.00 0.00 H new ATOM 0 HG12 VAL B 40 9.414 2.773 -8.436 1.00 0.00 H new ATOM 0 HG13 VAL B 40 9.762 1.156 -7.779 1.00 0.00 H new ATOM 0 HG21 VAL B 40 7.859 1.252 -5.443 1.00 0.00 H new ATOM 0 HG22 VAL B 40 9.555 0.720 -5.354 1.00 0.00 H new ATOM 0 HG23 VAL B 40 8.964 1.995 -4.262 1.00 0.00 H new ATOM 1697 N PHE B 41 12.624 2.773 -7.429 1.00 0.00 N ATOM 1698 CA PHE B 41 13.430 3.035 -8.630 1.00 0.00 C ATOM 1699 C PHE B 41 12.847 2.297 -9.815 1.00 0.00 C ATOM 1700 O PHE B 41 12.287 1.228 -9.709 1.00 0.00 O ATOM 1701 CB PHE B 41 14.873 2.577 -8.400 1.00 0.00 C ATOM 1702 CG PHE B 41 15.654 3.649 -7.677 1.00 0.00 C ATOM 1703 CD1 PHE B 41 15.610 4.987 -8.124 1.00 0.00 C ATOM 1704 CD2 PHE B 41 16.476 3.299 -6.584 1.00 0.00 C ATOM 1705 CE1 PHE B 41 16.383 5.977 -7.475 1.00 0.00 C ATOM 1706 CE2 PHE B 41 17.255 4.285 -5.941 1.00 0.00 C ATOM 1707 CZ PHE B 41 17.211 5.624 -6.385 1.00 0.00 C ATOM 0 H PHE B 41 13.025 2.106 -6.770 1.00 0.00 H new ATOM 0 HA PHE B 41 13.420 4.106 -8.834 1.00 0.00 H new ATOM 0 HB2 PHE B 41 14.881 1.656 -7.817 1.00 0.00 H new ATOM 0 HB3 PHE B 41 15.348 2.354 -9.355 1.00 0.00 H new ATOM 0 HD1 PHE B 41 14.985 5.255 -8.963 1.00 0.00 H new ATOM 0 HD2 PHE B 41 16.509 2.276 -6.239 1.00 0.00 H new ATOM 0 HE1 PHE B 41 16.341 7.002 -7.812 1.00 0.00 H new ATOM 0 HE2 PHE B 41 17.886 4.014 -5.107 1.00 0.00 H new ATOM 0 HZ PHE B 41 17.809 6.377 -5.893 1.00 0.00 H new ATOM 1717 N VAL B 42 13.003 2.887 -10.944 1.00 0.00 N ATOM 1718 CA VAL B 42 12.512 2.294 -12.209 1.00 0.00 C ATOM 1719 C VAL B 42 13.741 2.304 -13.134 1.00 0.00 C ATOM 1720 O VAL B 42 13.960 3.232 -13.886 1.00 0.00 O ATOM 1721 CB VAL B 42 11.374 3.145 -12.793 1.00 0.00 C ATOM 1722 CG1 VAL B 42 10.082 2.344 -12.730 1.00 0.00 C ATOM 1723 CG2 VAL B 42 11.168 4.434 -11.995 1.00 0.00 C ATOM 0 H VAL B 42 13.466 3.789 -11.055 1.00 0.00 H new ATOM 0 HA VAL B 42 12.105 1.291 -12.076 1.00 0.00 H new ATOM 0 HB VAL B 42 11.638 3.404 -13.818 1.00 0.00 H new ATOM 0 HG11 VAL B 42 9.266 2.937 -13.142 1.00 0.00 H new ATOM 0 HG12 VAL B 42 10.193 1.428 -13.310 1.00 0.00 H new ATOM 0 HG13 VAL B 42 9.860 2.092 -11.693 1.00 0.00 H new ATOM 0 HG21 VAL B 42 10.355 5.010 -12.438 1.00 0.00 H new ATOM 0 HG22 VAL B 42 10.918 4.187 -10.963 1.00 0.00 H new ATOM 0 HG23 VAL B 42 12.084 5.025 -12.015 1.00 0.00 H new ATOM 1733 N THR B 43 14.595 1.323 -12.996 1.00 0.00 N ATOM 1734 CA THR B 43 15.886 1.311 -13.771 1.00 0.00 C ATOM 1735 C THR B 43 15.745 0.746 -15.182 1.00 0.00 C ATOM 1736 O THR B 43 14.682 0.746 -15.766 1.00 0.00 O ATOM 1737 CB THR B 43 16.918 0.479 -12.994 1.00 0.00 C ATOM 1738 OG1 THR B 43 16.646 -0.903 -13.179 1.00 0.00 O ATOM 1739 CG2 THR B 43 16.846 0.815 -11.501 1.00 0.00 C ATOM 0 H THR B 43 14.459 0.523 -12.378 1.00 0.00 H new ATOM 0 HA THR B 43 16.205 2.347 -13.881 1.00 0.00 H new ATOM 0 HB THR B 43 17.916 0.712 -13.365 1.00 0.00 H new ATOM 0 HG1 THR B 43 17.305 -1.435 -12.685 1.00 0.00 H new ATOM 0 HG21 THR B 43 17.581 0.220 -10.958 1.00 0.00 H new ATOM 0 HG22 THR B 43 17.058 1.874 -11.356 1.00 0.00 H new ATOM 0 HG23 THR B 43 15.848 0.590 -11.125 1.00 0.00 H new ATOM 1747 N ARG B 44 16.848 0.295 -15.747 1.00 0.00 N ATOM 1748 CA ARG B 44 16.827 -0.254 -17.133 1.00 0.00 C ATOM 1749 C ARG B 44 15.667 -1.239 -17.263 1.00 0.00 C ATOM 1750 O ARG B 44 14.718 -0.995 -17.980 1.00 0.00 O ATOM 1751 CB ARG B 44 18.156 -0.955 -17.458 1.00 0.00 C ATOM 1752 CG ARG B 44 18.713 -1.677 -16.221 1.00 0.00 C ATOM 1753 CD ARG B 44 18.901 -3.161 -16.539 1.00 0.00 C ATOM 1754 NE ARG B 44 20.354 -3.456 -16.691 1.00 0.00 N ATOM 1755 CZ ARG B 44 20.762 -4.691 -16.782 1.00 0.00 C ATOM 1756 NH1 ARG B 44 21.053 -5.365 -15.704 1.00 0.00 N ATOM 1757 NH2 ARG B 44 20.885 -5.253 -17.955 1.00 0.00 N ATOM 0 H ARG B 44 17.764 0.287 -15.298 1.00 0.00 H new ATOM 0 HA ARG B 44 16.694 0.565 -17.840 1.00 0.00 H new ATOM 0 HB2 ARG B 44 18.006 -1.672 -18.265 1.00 0.00 H new ATOM 0 HB3 ARG B 44 18.881 -0.222 -17.813 1.00 0.00 H new ATOM 0 HG2 ARG B 44 19.664 -1.234 -15.926 1.00 0.00 H new ATOM 0 HG3 ARG B 44 18.031 -1.558 -15.379 1.00 0.00 H new ATOM 0 HD2 ARG B 44 18.476 -3.771 -15.742 1.00 0.00 H new ATOM 0 HD3 ARG B 44 18.369 -3.418 -17.455 1.00 0.00 H new ATOM 0 HE ARG B 44 21.029 -2.692 -16.724 1.00 0.00 H new ATOM 0 HH11 ARG B 44 20.962 -4.926 -14.788 1.00 0.00 H new ATOM 0 HH12 ARG B 44 21.372 -6.331 -15.777 1.00 0.00 H new ATOM 0 HH21 ARG B 44 20.662 -4.726 -18.799 1.00 0.00 H new ATOM 0 HH22 ARG B 44 21.204 -6.219 -18.027 1.00 0.00 H new ATOM 1771 N LYS B 45 15.695 -2.322 -16.527 1.00 0.00 N ATOM 1772 CA LYS B 45 14.535 -3.263 -16.575 1.00 0.00 C ATOM 1773 C LYS B 45 13.302 -2.433 -16.209 1.00 0.00 C ATOM 1774 O LYS B 45 12.206 -2.649 -16.686 1.00 0.00 O ATOM 1775 CB LYS B 45 14.730 -4.393 -15.562 1.00 0.00 C ATOM 1776 CG LYS B 45 13.495 -5.295 -15.561 1.00 0.00 C ATOM 1777 CD LYS B 45 13.865 -6.666 -14.992 1.00 0.00 C ATOM 1778 CE LYS B 45 12.763 -7.671 -15.332 1.00 0.00 C ATOM 1779 NZ LYS B 45 11.701 -7.617 -14.287 1.00 0.00 N ATOM 0 H LYS B 45 16.457 -2.592 -15.905 1.00 0.00 H new ATOM 0 HA LYS B 45 14.431 -3.720 -17.559 1.00 0.00 H new ATOM 0 HB2 LYS B 45 15.617 -4.973 -15.815 1.00 0.00 H new ATOM 0 HB3 LYS B 45 14.892 -3.980 -14.567 1.00 0.00 H new ATOM 0 HG2 LYS B 45 12.702 -4.844 -14.964 1.00 0.00 H new ATOM 0 HG3 LYS B 45 13.109 -5.402 -16.575 1.00 0.00 H new ATOM 0 HD2 LYS B 45 14.817 -6.999 -15.406 1.00 0.00 H new ATOM 0 HD3 LYS B 45 13.993 -6.601 -13.911 1.00 0.00 H new ATOM 0 HE2 LYS B 45 12.338 -7.444 -16.310 1.00 0.00 H new ATOM 0 HE3 LYS B 45 13.179 -8.677 -15.391 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 10.952 -8.300 -14.518 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 12.112 -7.854 -13.362 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 11.297 -6.659 -14.252 1.00 0.00 H new ATOM 1793 N ASN B 46 13.528 -1.441 -15.387 1.00 0.00 N ATOM 1794 CA ASN B 46 12.464 -0.501 -14.975 1.00 0.00 C ATOM 1795 C ASN B 46 11.482 -1.154 -14.045 1.00 0.00 C ATOM 1796 O ASN B 46 10.433 -0.604 -13.770 1.00 0.00 O ATOM 1797 CB ASN B 46 11.736 0.031 -16.210 1.00 0.00 C ATOM 1798 CG ASN B 46 12.036 1.520 -16.389 1.00 0.00 C ATOM 1799 OD1 ASN B 46 12.421 2.192 -15.453 1.00 0.00 O ATOM 1800 ND2 ASN B 46 11.872 2.069 -17.561 1.00 0.00 N ATOM 0 H ASN B 46 14.440 -1.245 -14.975 1.00 0.00 H new ATOM 0 HA ASN B 46 12.933 0.325 -14.441 1.00 0.00 H new ATOM 0 HB2 ASN B 46 12.051 -0.522 -17.095 1.00 0.00 H new ATOM 0 HB3 ASN B 46 10.662 -0.123 -16.104 1.00 0.00 H new ATOM 0 HD21 ASN B 46 12.067 3.062 -17.691 1.00 0.00 H new ATOM 0 HD22 ASN B 46 11.549 1.506 -18.347 1.00 0.00 H new ATOM 1807 N ARG B 47 11.827 -2.271 -13.476 1.00 0.00 N ATOM 1808 CA ARG B 47 10.908 -2.863 -12.469 1.00 0.00 C ATOM 1809 C ARG B 47 10.755 -1.776 -11.420 1.00 0.00 C ATOM 1810 O ARG B 47 11.538 -0.844 -11.416 1.00 0.00 O ATOM 1811 CB ARG B 47 11.516 -4.118 -11.828 1.00 0.00 C ATOM 1812 CG ARG B 47 13.034 -3.965 -11.681 1.00 0.00 C ATOM 1813 CD ARG B 47 13.476 -4.536 -10.332 1.00 0.00 C ATOM 1814 NE ARG B 47 14.751 -5.288 -10.502 1.00 0.00 N ATOM 1815 CZ ARG B 47 15.254 -5.954 -9.499 1.00 0.00 C ATOM 1816 NH1 ARG B 47 14.794 -7.140 -9.207 1.00 0.00 N ATOM 1817 NH2 ARG B 47 16.216 -5.434 -8.787 1.00 0.00 N ATOM 0 H ARG B 47 12.686 -2.791 -13.658 1.00 0.00 H new ATOM 0 HA ARG B 47 9.962 -3.170 -12.915 1.00 0.00 H new ATOM 0 HB2 ARG B 47 11.066 -4.289 -10.850 1.00 0.00 H new ATOM 0 HB3 ARG B 47 11.290 -4.992 -12.440 1.00 0.00 H new ATOM 0 HG2 ARG B 47 13.543 -4.485 -12.492 1.00 0.00 H new ATOM 0 HG3 ARG B 47 13.313 -2.914 -11.752 1.00 0.00 H new ATOM 0 HD2 ARG B 47 13.611 -3.730 -9.611 1.00 0.00 H new ATOM 0 HD3 ARG B 47 12.704 -5.194 -9.934 1.00 0.00 H new ATOM 0 HE ARG B 47 15.231 -5.282 -11.402 1.00 0.00 H new ATOM 0 HH11 ARG B 47 14.041 -7.546 -9.763 1.00 0.00 H new ATOM 0 HH12 ARG B 47 15.187 -7.661 -8.423 1.00 0.00 H new ATOM 0 HH21 ARG B 47 16.575 -4.507 -9.014 1.00 0.00 H new ATOM 0 HH22 ARG B 47 16.609 -5.955 -8.003 1.00 0.00 H new ATOM 1831 N GLN B 48 9.780 -1.821 -10.571 1.00 0.00 N ATOM 1832 CA GLN B 48 9.680 -0.716 -9.600 1.00 0.00 C ATOM 1833 C GLN B 48 10.522 -1.058 -8.387 1.00 0.00 C ATOM 1834 O GLN B 48 10.043 -1.283 -7.295 1.00 0.00 O ATOM 1835 CB GLN B 48 8.232 -0.431 -9.251 1.00 0.00 C ATOM 1836 CG GLN B 48 7.777 0.718 -10.151 1.00 0.00 C ATOM 1837 CD GLN B 48 6.312 1.056 -9.874 1.00 0.00 C ATOM 1838 OE1 GLN B 48 6.019 1.934 -8.954 1.00 0.00 O flip ATOM 1839 NE2 GLN B 48 5.423 0.516 -10.502 1.00 0.00 N flip ATOM 0 H GLN B 48 9.069 -2.550 -10.507 1.00 0.00 H new ATOM 0 HA GLN B 48 10.068 0.205 -10.035 1.00 0.00 H new ATOM 0 HB2 GLN B 48 7.615 -1.315 -9.411 1.00 0.00 H new ATOM 0 HB3 GLN B 48 8.134 -0.160 -8.200 1.00 0.00 H new ATOM 0 HG2 GLN B 48 8.400 1.595 -9.976 1.00 0.00 H new ATOM 0 HG3 GLN B 48 7.903 0.442 -11.198 1.00 0.00 H new ATOM 0 HE21 GLN B 48 5.651 -0.170 -11.221 1.00 0.00 H new ATOM 0 HE22 GLN B 48 4.449 0.749 -10.310 1.00 0.00 H new ATOM 1848 N VAL B 49 11.801 -1.093 -8.618 1.00 0.00 N ATOM 1849 CA VAL B 49 12.786 -1.412 -7.557 1.00 0.00 C ATOM 1850 C VAL B 49 12.478 -0.559 -6.319 1.00 0.00 C ATOM 1851 O VAL B 49 11.604 0.285 -6.339 1.00 0.00 O ATOM 1852 CB VAL B 49 14.225 -1.121 -8.045 1.00 0.00 C ATOM 1853 CG1 VAL B 49 15.139 -2.236 -7.540 1.00 0.00 C ATOM 1854 CG2 VAL B 49 14.332 -1.048 -9.598 1.00 0.00 C ATOM 0 H VAL B 49 12.216 -0.907 -9.531 1.00 0.00 H new ATOM 0 HA VAL B 49 12.714 -2.471 -7.309 1.00 0.00 H new ATOM 0 HB VAL B 49 14.519 -0.147 -7.653 1.00 0.00 H new ATOM 0 HG11 VAL B 49 16.160 -2.049 -7.874 1.00 0.00 H new ATOM 0 HG12 VAL B 49 15.113 -2.263 -6.451 1.00 0.00 H new ATOM 0 HG13 VAL B 49 14.798 -3.193 -7.935 1.00 0.00 H new ATOM 0 HG21 VAL B 49 15.364 -0.842 -9.882 1.00 0.00 H new ATOM 0 HG22 VAL B 49 14.020 -1.999 -10.029 1.00 0.00 H new ATOM 0 HG23 VAL B 49 13.687 -0.252 -9.970 1.00 0.00 H new ATOM 1864 N CYS B 50 13.174 -0.777 -5.240 1.00 0.00 N ATOM 1865 CA CYS B 50 12.899 0.011 -4.007 1.00 0.00 C ATOM 1866 C CYS B 50 14.163 0.738 -3.552 1.00 0.00 C ATOM 1867 O CYS B 50 15.267 0.266 -3.739 1.00 0.00 O ATOM 1868 CB CYS B 50 12.455 -0.942 -2.903 1.00 0.00 C ATOM 1869 SG CYS B 50 12.011 -0.002 -1.430 1.00 0.00 S ATOM 0 H CYS B 50 13.921 -1.466 -5.158 1.00 0.00 H new ATOM 0 HA CYS B 50 12.120 0.744 -4.217 1.00 0.00 H new ATOM 0 HB2 CYS B 50 11.603 -1.532 -3.240 1.00 0.00 H new ATOM 0 HB3 CYS B 50 13.257 -1.643 -2.671 1.00 0.00 H new ATOM 1874 N ALA B 51 14.007 1.877 -2.936 1.00 0.00 N ATOM 1875 CA ALA B 51 15.195 2.626 -2.446 1.00 0.00 C ATOM 1876 C ALA B 51 14.797 3.472 -1.249 1.00 0.00 C ATOM 1877 O ALA B 51 14.121 4.476 -1.349 1.00 0.00 O ATOM 1878 CB ALA B 51 15.762 3.507 -3.556 1.00 0.00 C ATOM 0 H ALA B 51 13.107 2.321 -2.751 1.00 0.00 H new ATOM 0 HA ALA B 51 15.968 1.919 -2.145 1.00 0.00 H new ATOM 0 HB1 ALA B 51 16.631 4.049 -3.182 1.00 0.00 H new ATOM 0 HB2 ALA B 51 16.058 2.884 -4.400 1.00 0.00 H new ATOM 0 HB3 ALA B 51 15.002 4.218 -3.880 1.00 0.00 H new ATOM 1884 N ASN B 52 15.228 3.035 -0.116 1.00 0.00 N ATOM 1885 CA ASN B 52 14.938 3.718 1.163 1.00 0.00 C ATOM 1886 C ASN B 52 15.075 5.248 1.037 1.00 0.00 C ATOM 1887 O ASN B 52 15.914 5.728 0.307 1.00 0.00 O ATOM 1888 CB ASN B 52 15.976 3.193 2.139 1.00 0.00 C ATOM 1889 CG ASN B 52 15.837 3.887 3.496 1.00 0.00 C ATOM 1890 OD1 ASN B 52 16.428 4.924 3.725 1.00 0.00 O ATOM 1891 ND2 ASN B 52 15.077 3.353 4.414 1.00 0.00 N ATOM 0 H ASN B 52 15.796 2.194 -0.017 1.00 0.00 H new ATOM 0 HA ASN B 52 13.915 3.523 1.484 1.00 0.00 H new ATOM 0 HB2 ASN B 52 15.857 2.116 2.261 1.00 0.00 H new ATOM 0 HB3 ASN B 52 16.976 3.360 1.740 1.00 0.00 H new ATOM 0 HD21 ASN B 52 14.980 3.806 5.323 1.00 0.00 H new ATOM 0 HD22 ASN B 52 14.581 2.483 4.222 1.00 0.00 H new ATOM 1898 N PRO B 53 14.250 5.981 1.764 1.00 0.00 N ATOM 1899 CA PRO B 53 14.294 7.452 1.737 1.00 0.00 C ATOM 1900 C PRO B 53 15.502 7.980 2.521 1.00 0.00 C ATOM 1901 O PRO B 53 16.175 8.899 2.098 1.00 0.00 O ATOM 1902 CB PRO B 53 13.008 7.890 2.451 1.00 0.00 C ATOM 1903 CG PRO B 53 12.410 6.639 3.138 1.00 0.00 C ATOM 1904 CD PRO B 53 13.203 5.418 2.648 1.00 0.00 C ATOM 0 HA PRO B 53 14.376 7.831 0.718 1.00 0.00 H new ATOM 0 HB2 PRO B 53 13.222 8.666 3.186 1.00 0.00 H new ATOM 0 HB3 PRO B 53 12.299 8.313 1.739 1.00 0.00 H new ATOM 0 HG2 PRO B 53 12.476 6.729 4.222 1.00 0.00 H new ATOM 0 HG3 PRO B 53 11.354 6.534 2.891 1.00 0.00 H new ATOM 0 HD2 PRO B 53 13.641 4.870 3.482 1.00 0.00 H new ATOM 0 HD3 PRO B 53 12.563 4.720 2.109 1.00 0.00 H new ATOM 1912 N GLU B 54 15.760 7.428 3.682 1.00 0.00 N ATOM 1913 CA GLU B 54 16.898 7.925 4.511 1.00 0.00 C ATOM 1914 C GLU B 54 18.117 7.003 4.395 1.00 0.00 C ATOM 1915 O GLU B 54 18.698 6.606 5.385 1.00 0.00 O ATOM 1916 CB GLU B 54 16.459 7.992 5.976 1.00 0.00 C ATOM 1917 CG GLU B 54 15.103 8.694 6.070 1.00 0.00 C ATOM 1918 CD GLU B 54 15.269 10.173 5.718 1.00 0.00 C ATOM 1919 OE1 GLU B 54 16.298 10.732 6.061 1.00 0.00 O ATOM 1920 OE2 GLU B 54 14.364 10.722 5.112 1.00 0.00 O ATOM 0 H GLU B 54 15.232 6.656 4.089 1.00 0.00 H new ATOM 0 HA GLU B 54 17.180 8.914 4.149 1.00 0.00 H new ATOM 0 HB2 GLU B 54 16.390 6.987 6.392 1.00 0.00 H new ATOM 0 HB3 GLU B 54 17.201 8.531 6.565 1.00 0.00 H new ATOM 0 HG2 GLU B 54 14.391 8.225 5.391 1.00 0.00 H new ATOM 0 HG3 GLU B 54 14.698 8.592 7.077 1.00 0.00 H new ATOM 1927 N LYS B 55 18.528 6.683 3.202 1.00 0.00 N ATOM 1928 CA LYS B 55 19.731 5.813 3.037 1.00 0.00 C ATOM 1929 C LYS B 55 20.862 6.645 2.423 1.00 0.00 C ATOM 1930 O LYS B 55 21.765 6.123 1.801 1.00 0.00 O ATOM 1931 CB LYS B 55 19.405 4.626 2.130 1.00 0.00 C ATOM 1932 CG LYS B 55 19.712 3.318 2.862 1.00 0.00 C ATOM 1933 CD LYS B 55 19.127 2.145 2.073 1.00 0.00 C ATOM 1934 CE LYS B 55 20.077 0.948 2.160 1.00 0.00 C ATOM 1935 NZ LYS B 55 19.327 -0.248 2.637 1.00 0.00 N ATOM 0 H LYS B 55 18.086 6.984 2.333 1.00 0.00 H new ATOM 0 HA LYS B 55 20.040 5.429 4.009 1.00 0.00 H new ATOM 0 HB2 LYS B 55 18.354 4.654 1.841 1.00 0.00 H new ATOM 0 HB3 LYS B 55 19.990 4.686 1.212 1.00 0.00 H new ATOM 0 HG2 LYS B 55 20.789 3.195 2.973 1.00 0.00 H new ATOM 0 HG3 LYS B 55 19.289 3.342 3.866 1.00 0.00 H new ATOM 0 HD2 LYS B 55 18.149 1.876 2.472 1.00 0.00 H new ATOM 0 HD3 LYS B 55 18.979 2.431 1.032 1.00 0.00 H new ATOM 0 HE2 LYS B 55 20.518 0.748 1.183 1.00 0.00 H new ATOM 0 HE3 LYS B 55 20.898 1.171 2.841 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 19.972 -1.062 2.696 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 18.927 -0.054 3.577 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 18.558 -0.464 1.971 1.00 0.00 H new ATOM 1949 N LYS B 56 20.816 7.940 2.608 1.00 0.00 N ATOM 1950 CA LYS B 56 21.879 8.833 2.062 1.00 0.00 C ATOM 1951 C LYS B 56 21.938 8.742 0.530 1.00 0.00 C ATOM 1952 O LYS B 56 21.320 9.519 -0.166 1.00 0.00 O ATOM 1953 CB LYS B 56 23.234 8.438 2.656 1.00 0.00 C ATOM 1954 CG LYS B 56 23.312 8.919 4.107 1.00 0.00 C ATOM 1955 CD LYS B 56 24.179 10.177 4.179 1.00 0.00 C ATOM 1956 CE LYS B 56 24.424 10.544 5.644 1.00 0.00 C ATOM 1957 NZ LYS B 56 25.656 9.859 6.128 1.00 0.00 N ATOM 0 H LYS B 56 20.077 8.421 3.121 1.00 0.00 H new ATOM 0 HA LYS B 56 21.642 9.861 2.336 1.00 0.00 H new ATOM 0 HB2 LYS B 56 23.361 7.356 2.612 1.00 0.00 H new ATOM 0 HB3 LYS B 56 24.042 8.878 2.071 1.00 0.00 H new ATOM 0 HG2 LYS B 56 22.312 9.131 4.486 1.00 0.00 H new ATOM 0 HG3 LYS B 56 23.733 8.137 4.739 1.00 0.00 H new ATOM 0 HD2 LYS B 56 25.129 10.007 3.672 1.00 0.00 H new ATOM 0 HD3 LYS B 56 23.686 11.001 3.664 1.00 0.00 H new ATOM 0 HE2 LYS B 56 24.531 11.624 5.747 1.00 0.00 H new ATOM 0 HE3 LYS B 56 23.569 10.249 6.252 1.00 0.00 H new ATOM 0 HZ1 LYS B 56 25.823 10.108 7.124 1.00 0.00 H new ATOM 0 HZ2 LYS B 56 25.536 8.829 6.044 1.00 0.00 H new ATOM 0 HZ3 LYS B 56 26.469 10.161 5.554 1.00 0.00 H new ATOM 1971 N TRP B 57 22.697 7.819 0.003 1.00 0.00 N ATOM 1972 CA TRP B 57 22.825 7.692 -1.482 1.00 0.00 C ATOM 1973 C TRP B 57 21.453 7.762 -2.177 1.00 0.00 C ATOM 1974 O TRP B 57 21.312 8.391 -3.206 1.00 0.00 O ATOM 1975 CB TRP B 57 23.539 6.377 -1.809 1.00 0.00 C ATOM 1976 CG TRP B 57 22.674 5.230 -1.470 1.00 0.00 C ATOM 1977 CD1 TRP B 57 22.794 4.413 -0.400 1.00 0.00 C ATOM 1978 CD2 TRP B 57 21.621 4.704 -2.278 1.00 0.00 C ATOM 1979 NE1 TRP B 57 21.852 3.404 -0.510 1.00 0.00 N ATOM 1980 CE2 TRP B 57 21.088 3.551 -1.647 1.00 0.00 C ATOM 1981 CE3 TRP B 57 21.077 5.124 -3.504 1.00 0.00 C ATOM 1982 CZ2 TRP B 57 20.028 2.837 -2.221 1.00 0.00 C ATOM 1983 CZ3 TRP B 57 20.037 4.409 -4.097 1.00 0.00 C ATOM 1984 CH2 TRP B 57 19.503 3.266 -3.457 1.00 0.00 C ATOM 0 H TRP B 57 23.239 7.142 0.540 1.00 0.00 H new ATOM 0 HA TRP B 57 23.412 8.529 -1.859 1.00 0.00 H new ATOM 0 HB2 TRP B 57 23.796 6.348 -2.868 1.00 0.00 H new ATOM 0 HB3 TRP B 57 24.474 6.314 -1.252 1.00 0.00 H new ATOM 0 HD1 TRP B 57 23.505 4.528 0.405 1.00 0.00 H new ATOM 0 HE1 TRP B 57 21.738 2.648 0.165 1.00 0.00 H new ATOM 0 HE3 TRP B 57 21.467 6.006 -3.990 1.00 0.00 H new ATOM 0 HZ2 TRP B 57 19.619 1.970 -1.724 1.00 0.00 H new ATOM 0 HZ3 TRP B 57 19.638 4.729 -5.048 1.00 0.00 H new ATOM 0 HH2 TRP B 57 18.692 2.721 -3.916 1.00 0.00 H new ATOM 1995 N VAL B 58 20.445 7.131 -1.643 1.00 0.00 N ATOM 1996 CA VAL B 58 19.103 7.183 -2.310 1.00 0.00 C ATOM 1997 C VAL B 58 18.700 8.625 -2.619 1.00 0.00 C ATOM 1998 O VAL B 58 18.373 8.950 -3.737 1.00 0.00 O ATOM 1999 CB VAL B 58 18.023 6.580 -1.413 1.00 0.00 C ATOM 2000 CG1 VAL B 58 18.061 5.060 -1.515 1.00 0.00 C ATOM 2001 CG2 VAL B 58 18.240 7.001 0.035 1.00 0.00 C ATOM 0 H VAL B 58 20.485 6.585 -0.782 1.00 0.00 H new ATOM 0 HA VAL B 58 19.187 6.611 -3.234 1.00 0.00 H new ATOM 0 HB VAL B 58 17.050 6.943 -1.743 1.00 0.00 H new ATOM 0 HG11 VAL B 58 17.290 4.633 -0.874 1.00 0.00 H new ATOM 0 HG12 VAL B 58 17.882 4.760 -2.548 1.00 0.00 H new ATOM 0 HG13 VAL B 58 19.039 4.698 -1.196 1.00 0.00 H new ATOM 0 HG21 VAL B 58 17.463 6.564 0.661 1.00 0.00 H new ATOM 0 HG22 VAL B 58 19.216 6.654 0.373 1.00 0.00 H new ATOM 0 HG23 VAL B 58 18.196 8.088 0.108 1.00 0.00 H new ATOM 2011 N ARG B 59 18.688 9.483 -1.633 1.00 0.00 N ATOM 2012 CA ARG B 59 18.277 10.896 -1.879 1.00 0.00 C ATOM 2013 C ARG B 59 19.308 11.583 -2.773 1.00 0.00 C ATOM 2014 O ARG B 59 18.978 12.425 -3.585 1.00 0.00 O ATOM 2015 CB ARG B 59 18.178 11.640 -0.545 1.00 0.00 C ATOM 2016 CG ARG B 59 19.470 11.441 0.252 1.00 0.00 C ATOM 2017 CD ARG B 59 19.512 12.436 1.415 1.00 0.00 C ATOM 2018 NE ARG B 59 19.161 13.796 0.920 1.00 0.00 N ATOM 2019 CZ ARG B 59 20.090 14.702 0.788 1.00 0.00 C ATOM 2020 NH1 ARG B 59 21.142 14.455 0.056 1.00 0.00 N ATOM 2021 NH2 ARG B 59 19.969 15.854 1.389 1.00 0.00 N ATOM 0 H ARG B 59 18.945 9.267 -0.670 1.00 0.00 H new ATOM 0 HA ARG B 59 17.306 10.908 -2.374 1.00 0.00 H new ATOM 0 HB2 ARG B 59 18.008 12.702 -0.721 1.00 0.00 H new ATOM 0 HB3 ARG B 59 17.326 11.271 0.026 1.00 0.00 H new ATOM 0 HG2 ARG B 59 19.522 10.420 0.631 1.00 0.00 H new ATOM 0 HG3 ARG B 59 20.335 11.585 -0.395 1.00 0.00 H new ATOM 0 HD2 ARG B 59 18.814 12.130 2.194 1.00 0.00 H new ATOM 0 HD3 ARG B 59 20.506 12.446 1.863 1.00 0.00 H new ATOM 0 HE ARG B 59 18.194 14.019 0.684 1.00 0.00 H new ATOM 0 HH11 ARG B 59 21.237 13.554 -0.412 1.00 0.00 H new ATOM 0 HH12 ARG B 59 21.869 15.163 -0.048 1.00 0.00 H new ATOM 0 HH21 ARG B 59 19.148 16.046 1.962 1.00 0.00 H new ATOM 0 HH22 ARG B 59 20.696 16.562 1.285 1.00 0.00 H new ATOM 2035 N GLU B 60 20.551 11.220 -2.643 1.00 0.00 N ATOM 2036 CA GLU B 60 21.602 11.842 -3.499 1.00 0.00 C ATOM 2037 C GLU B 60 21.546 11.221 -4.900 1.00 0.00 C ATOM 2038 O GLU B 60 22.242 11.638 -5.804 1.00 0.00 O ATOM 2039 CB GLU B 60 22.980 11.595 -2.882 1.00 0.00 C ATOM 2040 CG GLU B 60 23.473 12.876 -2.204 1.00 0.00 C ATOM 2041 CD GLU B 60 24.997 12.954 -2.301 1.00 0.00 C ATOM 2042 OE1 GLU B 60 25.483 13.419 -3.319 1.00 0.00 O ATOM 2043 OE2 GLU B 60 25.653 12.550 -1.355 1.00 0.00 O ATOM 0 H GLU B 60 20.887 10.520 -1.982 1.00 0.00 H new ATOM 0 HA GLU B 60 21.428 12.916 -3.568 1.00 0.00 H new ATOM 0 HB2 GLU B 60 22.925 10.784 -2.155 1.00 0.00 H new ATOM 0 HB3 GLU B 60 23.685 11.284 -3.653 1.00 0.00 H new ATOM 0 HG2 GLU B 60 23.023 13.747 -2.680 1.00 0.00 H new ATOM 0 HG3 GLU B 60 23.164 12.888 -1.159 1.00 0.00 H new ATOM 2050 N TYR B 61 20.716 10.227 -5.084 1.00 0.00 N ATOM 2051 CA TYR B 61 20.597 9.576 -6.413 1.00 0.00 C ATOM 2052 C TYR B 61 19.350 10.116 -7.106 1.00 0.00 C ATOM 2053 O TYR B 61 19.299 10.243 -8.314 1.00 0.00 O ATOM 2054 CB TYR B 61 20.457 8.063 -6.218 1.00 0.00 C ATOM 2055 CG TYR B 61 21.821 7.425 -6.067 1.00 0.00 C ATOM 2056 CD1 TYR B 61 22.852 8.090 -5.361 1.00 0.00 C ATOM 2057 CD2 TYR B 61 22.052 6.143 -6.607 1.00 0.00 C ATOM 2058 CE1 TYR B 61 24.111 7.471 -5.201 1.00 0.00 C ATOM 2059 CE2 TYR B 61 23.313 5.524 -6.449 1.00 0.00 C ATOM 2060 CZ TYR B 61 24.342 6.188 -5.745 1.00 0.00 C ATOM 2061 OH TYR B 61 25.572 5.584 -5.590 1.00 0.00 O ATOM 0 H TYR B 61 20.112 9.838 -4.360 1.00 0.00 H new ATOM 0 HA TYR B 61 21.480 9.784 -7.018 1.00 0.00 H new ATOM 0 HB2 TYR B 61 19.852 7.858 -5.335 1.00 0.00 H new ATOM 0 HB3 TYR B 61 19.936 7.626 -7.070 1.00 0.00 H new ATOM 0 HD1 TYR B 61 22.676 9.071 -4.945 1.00 0.00 H new ATOM 0 HD2 TYR B 61 21.264 5.633 -7.142 1.00 0.00 H new ATOM 0 HE1 TYR B 61 24.898 7.979 -4.663 1.00 0.00 H new ATOM 0 HE2 TYR B 61 23.490 4.544 -6.866 1.00 0.00 H new ATOM 0 HH TYR B 61 25.562 4.705 -6.023 1.00 0.00 H new ATOM 2071 N ILE B 62 18.342 10.442 -6.342 1.00 0.00 N ATOM 2072 CA ILE B 62 17.093 10.983 -6.942 1.00 0.00 C ATOM 2073 C ILE B 62 17.414 12.284 -7.685 1.00 0.00 C ATOM 2074 O ILE B 62 17.009 12.482 -8.813 1.00 0.00 O ATOM 2075 CB ILE B 62 16.076 11.262 -5.828 1.00 0.00 C ATOM 2076 CG1 ILE B 62 15.665 9.945 -5.164 1.00 0.00 C ATOM 2077 CG2 ILE B 62 14.838 11.937 -6.416 1.00 0.00 C ATOM 2078 CD1 ILE B 62 15.083 8.996 -6.214 1.00 0.00 C ATOM 0 H ILE B 62 18.332 10.356 -5.326 1.00 0.00 H new ATOM 0 HA ILE B 62 16.674 10.259 -7.641 1.00 0.00 H new ATOM 0 HB ILE B 62 16.531 11.919 -5.087 1.00 0.00 H new ATOM 0 HG12 ILE B 62 16.528 9.485 -4.683 1.00 0.00 H new ATOM 0 HG13 ILE B 62 14.928 10.135 -4.383 1.00 0.00 H new ATOM 0 HG21 ILE B 62 14.118 12.133 -5.621 1.00 0.00 H new ATOM 0 HG22 ILE B 62 15.125 12.878 -6.886 1.00 0.00 H new ATOM 0 HG23 ILE B 62 14.386 11.282 -7.161 1.00 0.00 H new ATOM 0 HD11 ILE B 62 14.792 8.060 -5.737 1.00 0.00 H new ATOM 0 HD12 ILE B 62 14.209 9.456 -6.675 1.00 0.00 H new ATOM 0 HD13 ILE B 62 15.833 8.795 -6.979 1.00 0.00 H new ATOM 2090 N ASN B 63 18.138 13.172 -7.059 1.00 0.00 N ATOM 2091 CA ASN B 63 18.482 14.459 -7.726 1.00 0.00 C ATOM 2092 C ASN B 63 19.527 14.210 -8.815 1.00 0.00 C ATOM 2093 O ASN B 63 19.526 14.849 -9.848 1.00 0.00 O ATOM 2094 CB ASN B 63 19.048 15.432 -6.690 1.00 0.00 C ATOM 2095 CG ASN B 63 18.449 16.822 -6.912 1.00 0.00 C ATOM 2096 OD1 ASN B 63 17.809 17.069 -7.915 1.00 0.00 O ATOM 2097 ND2 ASN B 63 18.629 17.749 -6.010 1.00 0.00 N ATOM 0 H ASN B 63 18.506 13.061 -6.114 1.00 0.00 H new ATOM 0 HA ASN B 63 17.585 14.885 -8.176 1.00 0.00 H new ATOM 0 HB2 ASN B 63 18.818 15.082 -5.684 1.00 0.00 H new ATOM 0 HB3 ASN B 63 20.134 15.475 -6.772 1.00 0.00 H new ATOM 0 HD21 ASN B 63 18.233 18.679 -6.148 1.00 0.00 H new ATOM 0 HD22 ASN B 63 19.166 17.543 -5.167 1.00 0.00 H new ATOM 2104 N SER B 64 20.422 13.286 -8.593 1.00 0.00 N ATOM 2105 CA SER B 64 21.468 13.000 -9.616 1.00 0.00 C ATOM 2106 C SER B 64 20.832 12.322 -10.834 1.00 0.00 C ATOM 2107 O SER B 64 21.411 12.283 -11.902 1.00 0.00 O ATOM 2108 CB SER B 64 22.527 12.073 -9.014 1.00 0.00 C ATOM 2109 OG SER B 64 23.340 11.547 -10.053 1.00 0.00 O ATOM 0 H SER B 64 20.474 12.717 -7.748 1.00 0.00 H new ATOM 0 HA SER B 64 21.932 13.936 -9.927 1.00 0.00 H new ATOM 0 HB2 SER B 64 23.141 12.620 -8.299 1.00 0.00 H new ATOM 0 HB3 SER B 64 22.047 11.262 -8.467 1.00 0.00 H new ATOM 0 HG SER B 64 24.187 11.228 -9.676 1.00 0.00 H new ATOM 2115 N LEU B 65 19.650 11.785 -10.687 1.00 0.00 N ATOM 2116 CA LEU B 65 18.989 11.111 -11.840 1.00 0.00 C ATOM 2117 C LEU B 65 18.927 12.070 -13.032 1.00 0.00 C ATOM 2118 O LEU B 65 19.344 11.743 -14.125 1.00 0.00 O ATOM 2119 CB LEU B 65 17.570 10.700 -11.444 1.00 0.00 C ATOM 2120 CG LEU B 65 17.579 9.260 -10.925 1.00 0.00 C ATOM 2121 CD1 LEU B 65 16.189 8.901 -10.396 1.00 0.00 C ATOM 2122 CD2 LEU B 65 17.955 8.310 -12.064 1.00 0.00 C ATOM 0 H LEU B 65 19.115 11.784 -9.819 1.00 0.00 H new ATOM 0 HA LEU B 65 19.562 10.226 -12.118 1.00 0.00 H new ATOM 0 HB2 LEU B 65 17.187 11.372 -10.676 1.00 0.00 H new ATOM 0 HB3 LEU B 65 16.903 10.784 -12.302 1.00 0.00 H new ATOM 0 HG LEU B 65 18.308 9.167 -10.120 1.00 0.00 H new ATOM 0 HD11 LEU B 65 16.194 7.876 -10.026 1.00 0.00 H new ATOM 0 HD12 LEU B 65 15.922 9.578 -9.585 1.00 0.00 H new ATOM 0 HD13 LEU B 65 15.459 8.993 -11.200 1.00 0.00 H new ATOM 0 HD21 LEU B 65 17.962 7.284 -11.695 1.00 0.00 H new ATOM 0 HD22 LEU B 65 17.226 8.401 -12.869 1.00 0.00 H new ATOM 0 HD23 LEU B 65 18.945 8.567 -12.440 1.00 0.00 H new