USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 689 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 HIS : no HD1:sc= -2.16! C(o=-1.8!,f=-3.5!) USER MOD Set 1.2: A 65 TYR OH : rot 111:sc= 0.377 USER MOD Set 2.1: A 24 SER OG : rot -58:sc= 0.0846 USER MOD Set 2.2: A 58 SER OG : rot -160:sc= -0.2 USER MOD Set 3.1: A 52 TYR OH : rot 30:sc= 0 USER MOD Set 3.2: A 68 LYS NZ :NH3+ -116:sc= -0.142 (180deg=-0.776) USER MOD Set 4.1: A 37 THR OG1 : rot 155:sc= -0.202 USER MOD Set 4.2: A 41 ASN :FLIP amide:sc= -1.24 F(o=-5.1!,f=-1.4) USER MOD Set 5.1: A 23 ASN :FLIP amide:sc= -0.648 F(o=-3.9!,f=-1.6) USER MOD Set 5.2: A 91 HIS : no HE2:sc= -0.94 K(o=-1.6,f=-3.6) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 153:sc= -0.175 (180deg=-1.15) USER MOD Single : A 19 ASN : amide:sc= -0.916 K(o=-0.92,f=-3!) USER MOD Single : A 20 THR OG1 : rot 180:sc= -2.1 USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot -130:sc= 0.174 USER MOD Single : A 29 LYS NZ :NH3+ -161:sc= -0.0424 (180deg=-0.495) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -16:sc= 0.802 USER MOD Single : A 45 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 47 ASN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.318 K(o=-0.32,f=-2.1!) USER MOD Single : A 76 LYS NZ :NH3+ -164:sc= -0.0155 (180deg=-0.285) USER MOD Single : A 81 SER OG : rot 180:sc= -0.0436 USER MOD Single : A 86 THR OG1 : rot 55:sc= -1.54! USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 92 HIS : no HD1:sc=-0.00475 X(o=-0.0047,f=0) USER MOD ----------------------------------------------------------------- ATOM 87 N ARG A 7 -15.972 5.449 -16.674 1.00 1.00 N ATOM 88 CA ARG A 7 -16.467 5.229 -15.314 1.00 1.00 C ATOM 89 C ARG A 7 -15.592 4.231 -14.555 1.00 1.00 C ATOM 90 O ARG A 7 -14.969 3.346 -15.143 1.00 1.00 O ATOM 91 CB ARG A 7 -17.915 4.712 -15.375 1.00 1.00 C ATOM 92 CG ARG A 7 -18.745 5.554 -16.363 1.00 1.00 C ATOM 93 CD ARG A 7 -18.770 7.027 -15.930 1.00 1.00 C ATOM 94 NE ARG A 7 -19.100 7.123 -14.512 1.00 1.00 N ATOM 95 CZ ARG A 7 -19.084 8.286 -13.869 1.00 1.00 C ATOM 96 NH1 ARG A 7 -18.753 9.383 -14.495 1.00 1.00 N ATOM 97 NH2 ARG A 7 -19.391 8.322 -12.601 1.00 1.00 N ATOM 0 HA ARG A 7 -16.432 6.178 -14.779 1.00 1.00 H new ATOM 0 HB2 ARG A 7 -17.922 3.667 -15.683 1.00 1.00 H new ATOM 0 HB3 ARG A 7 -18.365 4.755 -14.383 1.00 1.00 H new ATOM 0 HG2 ARG A 7 -18.322 5.471 -17.364 1.00 1.00 H new ATOM 0 HG3 ARG A 7 -19.763 5.167 -16.413 1.00 1.00 H new ATOM 0 HD2 ARG A 7 -17.800 7.487 -16.118 1.00 1.00 H new ATOM 0 HD3 ARG A 7 -19.503 7.576 -16.521 1.00 1.00 H new ATOM 0 HE ARG A 7 -19.349 6.276 -14.001 1.00 1.00 H new ATOM 0 HH11 ARG A 7 -18.505 9.351 -15.484 1.00 1.00 H new ATOM 0 HH12 ARG A 7 -18.743 10.272 -13.995 1.00 1.00 H new ATOM 0 HH21 ARG A 7 -19.640 7.462 -12.112 1.00 1.00 H new ATOM 0 HH22 ARG A 7 -19.382 9.210 -12.099 1.00 1.00 H new ATOM 111 N ASP A 8 -15.537 4.370 -13.236 1.00 1.00 N ATOM 112 CA ASP A 8 -14.748 3.488 -12.374 1.00 1.00 C ATOM 113 C ASP A 8 -13.374 3.165 -12.974 1.00 1.00 C ATOM 114 O ASP A 8 -13.163 2.065 -13.487 1.00 1.00 O ATOM 115 CB ASP A 8 -15.520 2.189 -12.115 1.00 1.00 C ATOM 116 CG ASP A 8 -15.797 1.458 -13.424 1.00 1.00 C ATOM 117 OD1 ASP A 8 -16.752 1.818 -14.092 1.00 1.00 O ATOM 118 OD2 ASP A 8 -15.053 0.542 -13.735 1.00 1.00 O ATOM 0 H ASP A 8 -16.039 5.099 -12.729 1.00 1.00 H new ATOM 0 HA ASP A 8 -14.578 4.015 -11.435 1.00 1.00 H new ATOM 0 HB2 ASP A 8 -14.946 1.546 -11.448 1.00 1.00 H new ATOM 0 HB3 ASP A 8 -16.460 2.413 -11.611 1.00 1.00 H new ATOM 123 N PRO A 9 -12.427 4.063 -12.938 1.00 1.00 N ATOM 124 CA PRO A 9 -11.066 3.815 -13.502 1.00 1.00 C ATOM 125 C PRO A 9 -10.230 2.851 -12.650 1.00 1.00 C ATOM 126 O PRO A 9 -10.410 2.722 -11.439 1.00 1.00 O ATOM 127 CB PRO A 9 -10.438 5.229 -13.570 1.00 1.00 C ATOM 128 CG PRO A 9 -11.104 5.998 -12.468 1.00 1.00 C ATOM 129 CD PRO A 9 -12.534 5.430 -12.361 1.00 1.00 C ATOM 0 HA PRO A 9 -11.109 3.322 -14.473 1.00 1.00 H new ATOM 0 HB2 PRO A 9 -9.358 5.189 -13.428 1.00 1.00 H new ATOM 0 HB3 PRO A 9 -10.615 5.694 -14.540 1.00 1.00 H new ATOM 0 HG2 PRO A 9 -10.565 5.879 -11.528 1.00 1.00 H new ATOM 0 HG3 PRO A 9 -11.123 7.065 -12.692 1.00 1.00 H new ATOM 0 HD2 PRO A 9 -12.874 5.400 -11.326 1.00 1.00 H new ATOM 0 HD3 PRO A 9 -13.248 6.041 -12.914 1.00 1.00 H new ATOM 137 N THR A 10 -9.295 2.165 -13.301 1.00 1.00 N ATOM 138 CA THR A 10 -8.409 1.202 -12.620 1.00 1.00 C ATOM 139 C THR A 10 -7.004 1.780 -12.478 1.00 1.00 C ATOM 140 O THR A 10 -6.204 1.756 -13.412 1.00 1.00 O ATOM 141 CB THR A 10 -8.338 -0.106 -13.428 1.00 1.00 C ATOM 142 OG1 THR A 10 -9.631 -0.697 -13.477 1.00 1.00 O ATOM 143 CG2 THR A 10 -7.355 -1.088 -12.766 1.00 1.00 C ATOM 0 H THR A 10 -9.124 2.253 -14.303 1.00 1.00 H new ATOM 0 HA THR A 10 -8.815 1.000 -11.629 1.00 1.00 H new ATOM 0 HB THR A 10 -7.991 0.117 -14.437 1.00 1.00 H new ATOM 0 HG1 THR A 10 -9.591 -1.530 -13.992 1.00 1.00 H new ATOM 0 HG21 THR A 10 -7.314 -2.009 -13.347 1.00 1.00 H new ATOM 0 HG22 THR A 10 -6.363 -0.639 -12.727 1.00 1.00 H new ATOM 0 HG23 THR A 10 -7.691 -1.312 -11.754 1.00 1.00 H new ATOM 151 N LEU A 11 -6.704 2.305 -11.295 1.00 1.00 N ATOM 152 CA LEU A 11 -5.391 2.897 -11.026 1.00 1.00 C ATOM 153 C LEU A 11 -4.460 1.867 -10.394 1.00 1.00 C ATOM 154 O LEU A 11 -4.874 0.985 -9.640 1.00 1.00 O ATOM 155 CB LEU A 11 -5.551 4.130 -10.103 1.00 1.00 C ATOM 156 CG LEU A 11 -5.893 5.402 -10.925 1.00 1.00 C ATOM 157 CD1 LEU A 11 -4.705 5.834 -11.830 1.00 1.00 C ATOM 158 CD2 LEU A 11 -7.152 5.147 -11.782 1.00 1.00 C ATOM 0 H LEU A 11 -7.349 2.335 -10.505 1.00 1.00 H new ATOM 0 HA LEU A 11 -4.948 3.219 -11.968 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -6.338 3.942 -9.373 1.00 1.00 H new ATOM 0 HB3 LEU A 11 -4.630 4.291 -9.543 1.00 1.00 H new ATOM 0 HG LEU A 11 -6.088 6.215 -10.226 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -4.981 6.727 -12.390 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -3.835 6.049 -11.210 1.00 1.00 H new ATOM 0 HD13 LEU A 11 -4.466 5.029 -12.525 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -7.388 6.042 -12.357 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -6.966 4.317 -12.463 1.00 1.00 H new ATOM 0 HD23 LEU A 11 -7.991 4.902 -11.131 1.00 1.00 H new ATOM 170 N THR A 12 -3.176 1.982 -10.712 1.00 1.00 N ATOM 171 CA THR A 12 -2.154 1.063 -10.188 1.00 1.00 C ATOM 172 C THR A 12 -1.112 1.829 -9.379 1.00 1.00 C ATOM 173 O THR A 12 -0.294 2.574 -9.922 1.00 1.00 O ATOM 174 CB THR A 12 -1.469 0.345 -11.353 1.00 1.00 C ATOM 175 OG1 THR A 12 -2.453 -0.303 -12.146 1.00 1.00 O ATOM 176 CG2 THR A 12 -0.475 -0.699 -10.828 1.00 1.00 C ATOM 0 H THR A 12 -2.810 2.704 -11.333 1.00 1.00 H new ATOM 0 HA THR A 12 -2.637 0.334 -9.537 1.00 1.00 H new ATOM 0 HB THR A 12 -0.928 1.078 -11.952 1.00 1.00 H new ATOM 0 HG1 THR A 12 -2.019 -0.763 -12.895 1.00 1.00 H new ATOM 0 HG21 THR A 12 0.004 -1.201 -11.669 1.00 1.00 H new ATOM 0 HG22 THR A 12 0.284 -0.206 -10.220 1.00 1.00 H new ATOM 0 HG23 THR A 12 -1.005 -1.433 -10.221 1.00 1.00 H new ATOM 184 N LEU A 13 -1.144 1.619 -8.068 1.00 1.00 N ATOM 185 CA LEU A 13 -0.202 2.280 -7.153 1.00 1.00 C ATOM 186 C LEU A 13 0.774 1.252 -6.589 1.00 1.00 C ATOM 187 O LEU A 13 0.377 0.173 -6.150 1.00 1.00 O ATOM 188 CB LEU A 13 -0.974 2.948 -6.001 1.00 1.00 C ATOM 189 CG LEU A 13 -2.079 3.873 -6.550 1.00 1.00 C ATOM 190 CD1 LEU A 13 -2.830 4.499 -5.367 1.00 1.00 C ATOM 191 CD2 LEU A 13 -1.484 4.990 -7.439 1.00 1.00 C ATOM 0 H LEU A 13 -1.810 0.997 -7.608 1.00 1.00 H new ATOM 0 HA LEU A 13 0.353 3.042 -7.701 1.00 1.00 H new ATOM 0 HB2 LEU A 13 -1.417 2.184 -5.362 1.00 1.00 H new ATOM 0 HB3 LEU A 13 -0.286 3.523 -5.381 1.00 1.00 H new ATOM 0 HG LEU A 13 -2.760 3.283 -7.164 1.00 1.00 H new ATOM 0 HD11 LEU A 13 -3.615 5.156 -5.741 1.00 1.00 H new ATOM 0 HD12 LEU A 13 -3.275 3.710 -4.760 1.00 1.00 H new ATOM 0 HD13 LEU A 13 -2.134 5.076 -4.758 1.00 1.00 H new ATOM 0 HD21 LEU A 13 -2.287 5.626 -7.811 1.00 1.00 H new ATOM 0 HD22 LEU A 13 -0.789 5.590 -6.852 1.00 1.00 H new ATOM 0 HD23 LEU A 13 -0.956 4.542 -8.281 1.00 1.00 H new ATOM 203 N SER A 14 2.058 1.596 -6.585 1.00 1.00 N ATOM 204 CA SER A 14 3.093 0.703 -6.061 1.00 1.00 C ATOM 205 C SER A 14 3.125 0.782 -4.544 1.00 1.00 C ATOM 206 O SER A 14 2.558 1.701 -3.953 1.00 1.00 O ATOM 207 CB SER A 14 4.463 1.092 -6.625 1.00 1.00 C ATOM 208 OG SER A 14 4.384 1.156 -8.044 1.00 1.00 O ATOM 0 H SER A 14 2.410 2.486 -6.938 1.00 1.00 H new ATOM 0 HA SER A 14 2.861 -0.318 -6.364 1.00 1.00 H new ATOM 0 HB2 SER A 14 4.775 2.056 -6.222 1.00 1.00 H new ATOM 0 HB3 SER A 14 5.214 0.362 -6.323 1.00 1.00 H new ATOM 0 HG SER A 14 5.258 1.406 -8.409 1.00 1.00 H new ATOM 214 N LEU A 15 3.784 -0.179 -3.903 1.00 1.00 N ATOM 215 CA LEU A 15 3.878 -0.208 -2.431 1.00 1.00 C ATOM 216 C LEU A 15 5.322 0.030 -1.977 1.00 1.00 C ATOM 217 O LEU A 15 6.232 -0.741 -2.282 1.00 1.00 O ATOM 218 CB LEU A 15 3.376 -1.568 -1.915 1.00 1.00 C ATOM 219 CG LEU A 15 3.258 -1.567 -0.372 1.00 1.00 C ATOM 220 CD1 LEU A 15 2.167 -0.573 0.112 1.00 1.00 C ATOM 221 CD2 LEU A 15 2.921 -2.992 0.093 1.00 1.00 C ATOM 0 H LEU A 15 4.262 -0.949 -4.370 1.00 1.00 H new ATOM 0 HA LEU A 15 3.257 0.588 -2.020 1.00 1.00 H new ATOM 0 HB2 LEU A 15 2.405 -1.793 -2.357 1.00 1.00 H new ATOM 0 HB3 LEU A 15 4.060 -2.356 -2.230 1.00 1.00 H new ATOM 0 HG LEU A 15 4.206 -1.244 0.057 1.00 1.00 H new ATOM 0 HD11 LEU A 15 2.110 -0.597 1.200 1.00 1.00 H new ATOM 0 HD12 LEU A 15 2.422 0.435 -0.216 1.00 1.00 H new ATOM 0 HD13 LEU A 15 1.203 -0.858 -0.308 1.00 1.00 H new ATOM 0 HD21 LEU A 15 2.834 -3.009 1.179 1.00 1.00 H new ATOM 0 HD22 LEU A 15 1.977 -3.306 -0.352 1.00 1.00 H new ATOM 0 HD23 LEU A 15 3.713 -3.673 -0.218 1.00 1.00 H new ATOM 233 N ILE A 16 5.527 1.113 -1.233 1.00 1.00 N ATOM 234 CA ILE A 16 6.863 1.480 -0.714 1.00 1.00 C ATOM 235 C ILE A 16 6.814 1.727 0.787 1.00 1.00 C ATOM 236 O ILE A 16 5.753 1.943 1.374 1.00 1.00 O ATOM 237 CB ILE A 16 7.385 2.737 -1.442 1.00 1.00 C ATOM 238 CG1 ILE A 16 6.396 3.948 -1.261 1.00 1.00 C ATOM 239 CG2 ILE A 16 7.535 2.387 -2.936 1.00 1.00 C ATOM 240 CD1 ILE A 16 6.728 4.805 -0.009 1.00 1.00 C ATOM 0 H ILE A 16 4.787 1.763 -0.969 1.00 1.00 H new ATOM 0 HA ILE A 16 7.544 0.649 -0.901 1.00 1.00 H new ATOM 0 HB ILE A 16 8.344 3.037 -1.020 1.00 1.00 H new ATOM 0 HG12 ILE A 16 6.433 4.579 -2.149 1.00 1.00 H new ATOM 0 HG13 ILE A 16 5.376 3.571 -1.179 1.00 1.00 H new ATOM 0 HG21 ILE A 16 7.903 3.258 -3.478 1.00 1.00 H new ATOM 0 HG22 ILE A 16 8.241 1.564 -3.048 1.00 1.00 H new ATOM 0 HG23 ILE A 16 6.567 2.091 -3.339 1.00 1.00 H new ATOM 0 HD11 ILE A 16 6.016 5.627 0.069 1.00 1.00 H new ATOM 0 HD12 ILE A 16 6.664 4.184 0.884 1.00 1.00 H new ATOM 0 HD13 ILE A 16 7.737 5.207 -0.100 1.00 1.00 H new ATOM 252 N ALA A 17 7.977 1.702 1.430 1.00 1.00 N ATOM 253 CA ALA A 17 8.065 1.920 2.876 1.00 1.00 C ATOM 254 C ALA A 17 7.994 3.411 3.211 1.00 1.00 C ATOM 255 O ALA A 17 8.272 4.268 2.373 1.00 1.00 O ATOM 256 CB ALA A 17 9.379 1.343 3.399 1.00 1.00 C ATOM 0 H ALA A 17 8.874 1.533 0.975 1.00 1.00 H new ATOM 0 HA ALA A 17 7.222 1.419 3.352 1.00 1.00 H new ATOM 0 HB1 ALA A 17 9.445 1.505 4.475 1.00 1.00 H new ATOM 0 HB2 ALA A 17 9.416 0.274 3.190 1.00 1.00 H new ATOM 0 HB3 ALA A 17 10.216 1.838 2.906 1.00 1.00 H new ATOM 262 N LYS A 18 7.613 3.718 4.446 1.00 1.00 N ATOM 263 CA LYS A 18 7.504 5.107 4.897 1.00 1.00 C ATOM 264 C LYS A 18 8.875 5.780 4.957 1.00 1.00 C ATOM 265 O LYS A 18 9.018 6.965 4.655 1.00 1.00 O ATOM 266 CB LYS A 18 6.822 5.167 6.287 1.00 1.00 C ATOM 267 CG LYS A 18 6.231 6.582 6.557 1.00 1.00 C ATOM 268 CD LYS A 18 4.822 6.710 5.917 1.00 1.00 C ATOM 269 CE LYS A 18 4.395 8.179 5.839 1.00 1.00 C ATOM 270 NZ LYS A 18 5.407 8.955 5.068 1.00 1.00 N ATOM 0 H LYS A 18 7.374 3.026 5.156 1.00 1.00 H new ATOM 0 HA LYS A 18 6.893 5.647 4.174 1.00 1.00 H new ATOM 0 HB2 LYS A 18 6.029 4.421 6.339 1.00 1.00 H new ATOM 0 HB3 LYS A 18 7.546 4.917 7.063 1.00 1.00 H new ATOM 0 HG2 LYS A 18 6.167 6.758 7.631 1.00 1.00 H new ATOM 0 HG3 LYS A 18 6.894 7.344 6.148 1.00 1.00 H new ATOM 0 HD2 LYS A 18 4.830 6.275 4.918 1.00 1.00 H new ATOM 0 HD3 LYS A 18 4.097 6.146 6.505 1.00 1.00 H new ATOM 0 HE2 LYS A 18 3.419 8.259 5.360 1.00 1.00 H new ATOM 0 HE3 LYS A 18 4.293 8.592 6.843 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 4.950 9.778 4.626 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 6.159 9.279 5.710 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 5.819 8.350 4.329 1.00 1.00 H new ATOM 284 N ASN A 19 9.889 5.017 5.354 1.00 1.00 N ATOM 285 CA ASN A 19 11.241 5.553 5.464 1.00 1.00 C ATOM 286 C ASN A 19 12.244 4.417 5.607 1.00 1.00 C ATOM 287 O ASN A 19 13.363 4.495 5.103 1.00 1.00 O ATOM 288 CB ASN A 19 11.326 6.478 6.682 1.00 1.00 C ATOM 289 CG ASN A 19 12.706 7.122 6.762 1.00 1.00 C ATOM 290 OD1 ASN A 19 13.713 6.422 6.863 1.00 1.00 O ATOM 291 ND2 ASN A 19 12.815 8.423 6.730 1.00 1.00 N ATOM 0 H ASN A 19 9.801 4.032 5.603 1.00 1.00 H new ATOM 0 HA ASN A 19 11.477 6.118 4.562 1.00 1.00 H new ATOM 0 HB2 ASN A 19 10.560 7.251 6.615 1.00 1.00 H new ATOM 0 HB3 ASN A 19 11.128 5.911 7.592 1.00 1.00 H new ATOM 0 HD21 ASN A 19 13.735 8.859 6.789 1.00 1.00 H new ATOM 0 HD22 ASN A 19 11.980 9.003 6.646 1.00 1.00 H new ATOM 298 N THR A 20 11.838 3.355 6.295 1.00 1.00 N ATOM 299 CA THR A 20 12.699 2.189 6.504 1.00 1.00 C ATOM 300 C THR A 20 13.992 2.570 7.238 1.00 1.00 C ATOM 301 O THR A 20 15.051 2.650 6.615 1.00 1.00 O ATOM 302 CB THR A 20 13.060 1.544 5.155 1.00 1.00 C ATOM 303 OG1 THR A 20 11.880 1.342 4.407 1.00 1.00 O ATOM 304 CG2 THR A 20 13.749 0.196 5.377 1.00 1.00 C ATOM 0 H THR A 20 10.914 3.275 6.720 1.00 1.00 H new ATOM 0 HA THR A 20 12.144 1.480 7.118 1.00 1.00 H new ATOM 0 HB THR A 20 13.739 2.206 4.617 1.00 1.00 H new ATOM 0 HG1 THR A 20 12.105 0.933 3.545 1.00 1.00 H new ATOM 0 HG21 THR A 20 13.998 -0.248 4.413 1.00 1.00 H new ATOM 0 HG22 THR A 20 14.661 0.344 5.955 1.00 1.00 H new ATOM 0 HG23 THR A 20 13.079 -0.470 5.921 1.00 1.00 H new ATOM 312 N PRO A 21 13.940 2.786 8.523 1.00 1.00 N ATOM 313 CA PRO A 21 15.153 3.144 9.322 1.00 1.00 C ATOM 314 C PRO A 21 16.244 2.074 9.201 1.00 1.00 C ATOM 315 O PRO A 21 15.958 0.889 9.038 1.00 1.00 O ATOM 316 CB PRO A 21 14.626 3.249 10.781 1.00 1.00 C ATOM 317 CG PRO A 21 13.145 3.466 10.647 1.00 1.00 C ATOM 318 CD PRO A 21 12.733 2.716 9.372 1.00 1.00 C ATOM 0 HA PRO A 21 15.618 4.067 8.977 1.00 1.00 H new ATOM 0 HB2 PRO A 21 14.842 2.341 11.345 1.00 1.00 H new ATOM 0 HB3 PRO A 21 15.099 4.075 11.313 1.00 1.00 H new ATOM 0 HG2 PRO A 21 12.612 3.083 11.517 1.00 1.00 H new ATOM 0 HG3 PRO A 21 12.909 4.528 10.571 1.00 1.00 H new ATOM 0 HD2 PRO A 21 12.453 1.685 9.586 1.00 1.00 H new ATOM 0 HD3 PRO A 21 11.876 3.186 8.890 1.00 1.00 H new ATOM 326 N ALA A 22 17.505 2.490 9.285 1.00 1.00 N ATOM 327 CA ALA A 22 18.638 1.574 9.187 1.00 1.00 C ATOM 328 C ALA A 22 18.494 0.391 10.144 1.00 1.00 C ATOM 329 O ALA A 22 17.444 0.166 10.747 1.00 1.00 O ATOM 330 CB ALA A 22 19.935 2.320 9.499 1.00 1.00 C ATOM 0 H ALA A 22 17.769 3.466 9.422 1.00 1.00 H new ATOM 0 HA ALA A 22 18.662 1.187 8.168 1.00 1.00 H new ATOM 0 HB1 ALA A 22 20.777 1.632 9.425 1.00 1.00 H new ATOM 0 HB2 ALA A 22 20.067 3.134 8.786 1.00 1.00 H new ATOM 0 HB3 ALA A 22 19.887 2.727 10.509 1.00 1.00 H new ATOM 336 N ASN A 23 19.563 -0.385 10.280 1.00 1.00 N ATOM 337 CA ASN A 23 19.578 -1.558 11.161 1.00 1.00 C ATOM 338 C ASN A 23 18.717 -2.685 10.588 1.00 1.00 C ATOM 339 O ASN A 23 19.071 -3.861 10.674 1.00 1.00 O ATOM 340 CB ASN A 23 19.081 -1.178 12.581 1.00 1.00 C ATOM 341 CG ASN A 23 19.579 -2.188 13.618 1.00 1.00 C ATOM 342 OD1 ASN A 23 20.092 -3.318 13.215 1.00 1.00 O flip ATOM 343 ND2 ASN A 23 19.491 -1.943 14.819 1.00 1.00 N flip ATOM 0 H ASN A 23 20.442 -0.224 9.788 1.00 1.00 H new ATOM 0 HA ASN A 23 20.607 -1.912 11.230 1.00 1.00 H new ATOM 0 HB2 ASN A 23 19.434 -0.180 12.840 1.00 1.00 H new ATOM 0 HB3 ASN A 23 17.992 -1.144 12.593 1.00 1.00 H new ATOM 0 HD21 ASN A 23 19.090 -1.059 15.131 1.00 1.00 H new ATOM 0 HD22 ASN A 23 19.819 -2.624 15.504 1.00 1.00 H new ATOM 350 N SER A 24 17.581 -2.325 9.999 1.00 1.00 N ATOM 351 CA SER A 24 16.659 -3.309 9.412 1.00 1.00 C ATOM 352 C SER A 24 16.681 -3.223 7.891 1.00 1.00 C ATOM 353 O SER A 24 16.911 -2.164 7.306 1.00 1.00 O ATOM 354 CB SER A 24 15.234 -3.051 9.924 1.00 1.00 C ATOM 355 OG SER A 24 14.636 -2.017 9.154 1.00 1.00 O ATOM 0 H SER A 24 17.270 -1.357 9.912 1.00 1.00 H new ATOM 0 HA SER A 24 16.979 -4.308 9.709 1.00 1.00 H new ATOM 0 HB2 SER A 24 14.640 -3.962 9.853 1.00 1.00 H new ATOM 0 HB3 SER A 24 15.259 -2.768 10.976 1.00 1.00 H new ATOM 0 HG SER A 24 15.187 -1.208 9.208 1.00 1.00 H new ATOM 361 N MET A 25 16.440 -4.357 7.242 1.00 1.00 N ATOM 362 CA MET A 25 16.427 -4.424 5.776 1.00 1.00 C ATOM 363 C MET A 25 15.324 -5.364 5.298 1.00 1.00 C ATOM 364 O MET A 25 15.303 -6.551 5.624 1.00 1.00 O ATOM 365 CB MET A 25 17.796 -4.904 5.267 1.00 1.00 C ATOM 366 CG MET A 25 17.787 -5.050 3.724 1.00 1.00 C ATOM 367 SD MET A 25 17.269 -6.726 3.260 1.00 1.00 S ATOM 368 CE MET A 25 18.900 -7.515 3.317 1.00 1.00 C ATOM 0 H MET A 25 16.250 -5.246 7.704 1.00 1.00 H new ATOM 0 HA MET A 25 16.228 -3.430 5.376 1.00 1.00 H new ATOM 0 HB2 MET A 25 18.569 -4.196 5.566 1.00 1.00 H new ATOM 0 HB3 MET A 25 18.045 -5.861 5.726 1.00 1.00 H new ATOM 0 HG2 MET A 25 17.110 -4.317 3.285 1.00 1.00 H new ATOM 0 HG3 MET A 25 18.781 -4.845 3.326 1.00 1.00 H new ATOM 0 HE1 MET A 25 18.803 -8.570 3.059 1.00 1.00 H new ATOM 0 HE2 MET A 25 19.566 -7.027 2.605 1.00 1.00 H new ATOM 0 HE3 MET A 25 19.313 -7.424 4.321 1.00 1.00 H new ATOM 378 N ILE A 26 14.396 -4.823 4.513 1.00 1.00 N ATOM 379 CA ILE A 26 13.278 -5.608 4.002 1.00 1.00 C ATOM 380 C ILE A 26 13.744 -6.576 2.914 1.00 1.00 C ATOM 381 O ILE A 26 14.199 -6.173 1.845 1.00 1.00 O ATOM 382 CB ILE A 26 12.210 -4.665 3.415 1.00 1.00 C ATOM 383 CG1 ILE A 26 11.728 -3.670 4.497 1.00 1.00 C ATOM 384 CG2 ILE A 26 11.011 -5.493 2.923 1.00 1.00 C ATOM 385 CD1 ILE A 26 10.903 -2.552 3.850 1.00 1.00 C ATOM 0 H ILE A 26 14.397 -3.847 4.218 1.00 1.00 H new ATOM 0 HA ILE A 26 12.858 -6.183 4.827 1.00 1.00 H new ATOM 0 HB ILE A 26 12.645 -4.111 2.584 1.00 1.00 H new ATOM 0 HG12 ILE A 26 11.127 -4.192 5.242 1.00 1.00 H new ATOM 0 HG13 ILE A 26 12.585 -3.245 5.020 1.00 1.00 H new ATOM 0 HG21 ILE A 26 10.255 -4.827 2.508 1.00 1.00 H new ATOM 0 HG22 ILE A 26 11.342 -6.191 2.154 1.00 1.00 H new ATOM 0 HG23 ILE A 26 10.585 -6.049 3.758 1.00 1.00 H new ATOM 0 HD11 ILE A 26 10.568 -1.856 4.619 1.00 1.00 H new ATOM 0 HD12 ILE A 26 11.517 -2.021 3.123 1.00 1.00 H new ATOM 0 HD13 ILE A 26 10.037 -2.983 3.348 1.00 1.00 H new ATOM 397 N MET A 27 13.613 -7.870 3.192 1.00 1.00 N ATOM 398 CA MET A 27 13.994 -8.912 2.226 1.00 1.00 C ATOM 399 C MET A 27 12.767 -9.344 1.425 1.00 1.00 C ATOM 400 O MET A 27 12.880 -9.967 0.368 1.00 1.00 O ATOM 401 CB MET A 27 14.598 -10.116 2.962 1.00 1.00 C ATOM 402 CG MET A 27 15.944 -9.710 3.571 1.00 1.00 C ATOM 403 SD MET A 27 16.686 -11.127 4.426 1.00 1.00 S ATOM 404 CE MET A 27 17.568 -11.842 3.014 1.00 1.00 C ATOM 0 H MET A 27 13.247 -8.228 4.074 1.00 1.00 H new ATOM 0 HA MET A 27 14.742 -8.511 1.542 1.00 1.00 H new ATOM 0 HB2 MET A 27 13.920 -10.457 3.744 1.00 1.00 H new ATOM 0 HB3 MET A 27 14.734 -10.949 2.272 1.00 1.00 H new ATOM 0 HG2 MET A 27 16.615 -9.354 2.789 1.00 1.00 H new ATOM 0 HG3 MET A 27 15.803 -8.885 4.270 1.00 1.00 H new ATOM 0 HE1 MET A 27 18.099 -12.739 3.333 1.00 1.00 H new ATOM 0 HE2 MET A 27 16.854 -12.102 2.232 1.00 1.00 H new ATOM 0 HE3 MET A 27 18.283 -11.116 2.626 1.00 1.00 H new ATOM 414 N THR A 28 11.582 -9.006 1.924 1.00 1.00 N ATOM 415 CA THR A 28 10.334 -9.345 1.242 1.00 1.00 C ATOM 416 C THR A 28 10.094 -8.370 0.096 1.00 1.00 C ATOM 417 O THR A 28 10.243 -7.158 0.247 1.00 1.00 O ATOM 418 CB THR A 28 9.161 -9.276 2.232 1.00 1.00 C ATOM 419 OG1 THR A 28 9.430 -10.122 3.340 1.00 1.00 O ATOM 420 CG2 THR A 28 7.866 -9.732 1.548 1.00 1.00 C ATOM 0 H THR A 28 11.458 -8.497 2.799 1.00 1.00 H new ATOM 0 HA THR A 28 10.408 -10.358 0.846 1.00 1.00 H new ATOM 0 HB THR A 28 9.042 -8.247 2.572 1.00 1.00 H new ATOM 0 HG1 THR A 28 8.657 -10.702 3.504 1.00 1.00 H new ATOM 0 HG21 THR A 28 7.041 -9.679 2.259 1.00 1.00 H new ATOM 0 HG22 THR A 28 7.655 -9.083 0.698 1.00 1.00 H new ATOM 0 HG23 THR A 28 7.980 -10.759 1.200 1.00 1.00 H new ATOM 428 N LYS A 29 9.717 -8.879 -1.073 1.00 1.00 N ATOM 429 CA LYS A 29 9.475 -8.018 -2.227 1.00 1.00 C ATOM 430 C LYS A 29 8.109 -7.350 -2.112 1.00 1.00 C ATOM 431 O LYS A 29 7.081 -8.010 -1.975 1.00 1.00 O ATOM 432 CB LYS A 29 9.562 -8.842 -3.522 1.00 1.00 C ATOM 433 CG LYS A 29 10.975 -9.510 -3.651 1.00 1.00 C ATOM 434 CD LYS A 29 10.936 -10.975 -3.177 1.00 1.00 C ATOM 435 CE LYS A 29 12.350 -11.559 -3.212 1.00 1.00 C ATOM 436 NZ LYS A 29 12.862 -11.517 -4.611 1.00 1.00 N ATOM 0 H LYS A 29 9.573 -9.874 -1.246 1.00 1.00 H new ATOM 0 HA LYS A 29 10.237 -7.239 -2.254 1.00 1.00 H new ATOM 0 HB2 LYS A 29 8.788 -9.610 -3.525 1.00 1.00 H new ATOM 0 HB3 LYS A 29 9.377 -8.199 -4.383 1.00 1.00 H new ATOM 0 HG2 LYS A 29 11.308 -9.468 -4.688 1.00 1.00 H new ATOM 0 HG3 LYS A 29 11.701 -8.952 -3.060 1.00 1.00 H new ATOM 0 HD2 LYS A 29 10.533 -11.031 -2.166 1.00 1.00 H new ATOM 0 HD3 LYS A 29 10.274 -11.558 -3.817 1.00 1.00 H new ATOM 0 HE2 LYS A 29 13.008 -10.991 -2.554 1.00 1.00 H new ATOM 0 HE3 LYS A 29 12.342 -12.586 -2.846 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 13.656 -12.181 -4.710 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 12.101 -11.786 -5.267 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 13.186 -10.554 -4.833 1.00 1.00 H new ATOM 450 N LEU A 30 8.109 -6.021 -2.169 1.00 1.00 N ATOM 451 CA LEU A 30 6.872 -5.248 -2.044 1.00 1.00 C ATOM 452 C LEU A 30 5.956 -5.407 -3.290 1.00 1.00 C ATOM 453 O LEU A 30 6.339 -4.956 -4.369 1.00 1.00 O ATOM 454 CB LEU A 30 7.243 -3.771 -1.846 1.00 1.00 C ATOM 455 CG LEU A 30 8.312 -3.639 -0.736 1.00 1.00 C ATOM 456 CD1 LEU A 30 8.605 -2.153 -0.496 1.00 1.00 C ATOM 457 CD2 LEU A 30 7.828 -4.294 0.582 1.00 1.00 C ATOM 0 H LEU A 30 8.948 -5.456 -2.301 1.00 1.00 H new ATOM 0 HA LEU A 30 6.310 -5.622 -1.188 1.00 1.00 H new ATOM 0 HB2 LEU A 30 7.622 -3.354 -2.779 1.00 1.00 H new ATOM 0 HB3 LEU A 30 6.356 -3.197 -1.578 1.00 1.00 H new ATOM 0 HG LEU A 30 9.218 -4.153 -1.059 1.00 1.00 H new ATOM 0 HD11 LEU A 30 9.358 -2.052 0.286 1.00 1.00 H new ATOM 0 HD12 LEU A 30 8.975 -1.702 -1.417 1.00 1.00 H new ATOM 0 HD13 LEU A 30 7.691 -1.647 -0.186 1.00 1.00 H new ATOM 0 HD21 LEU A 30 8.598 -4.187 1.346 1.00 1.00 H new ATOM 0 HD22 LEU A 30 6.914 -3.804 0.917 1.00 1.00 H new ATOM 0 HD23 LEU A 30 7.631 -5.352 0.411 1.00 1.00 H new ATOM 469 N PRO A 31 4.798 -5.994 -3.155 1.00 1.00 N ATOM 470 CA PRO A 31 3.861 -6.169 -4.314 1.00 1.00 C ATOM 471 C PRO A 31 2.976 -4.938 -4.564 1.00 1.00 C ATOM 472 O PRO A 31 2.657 -4.177 -3.650 1.00 1.00 O ATOM 473 CB PRO A 31 3.021 -7.386 -3.880 1.00 1.00 C ATOM 474 CG PRO A 31 2.868 -7.202 -2.400 1.00 1.00 C ATOM 475 CD PRO A 31 4.197 -6.578 -1.922 1.00 1.00 C ATOM 0 HA PRO A 31 4.387 -6.305 -5.259 1.00 1.00 H new ATOM 0 HB2 PRO A 31 2.054 -7.405 -4.383 1.00 1.00 H new ATOM 0 HB3 PRO A 31 3.523 -8.324 -4.117 1.00 1.00 H new ATOM 0 HG2 PRO A 31 2.024 -6.551 -2.171 1.00 1.00 H new ATOM 0 HG3 PRO A 31 2.681 -8.154 -1.904 1.00 1.00 H new ATOM 0 HD2 PRO A 31 4.027 -5.814 -1.163 1.00 1.00 H new ATOM 0 HD3 PRO A 31 4.851 -7.328 -1.478 1.00 1.00 H new ATOM 483 N SER A 32 2.553 -4.747 -5.809 1.00 1.00 N ATOM 484 CA SER A 32 1.694 -3.620 -6.177 1.00 1.00 C ATOM 485 C SER A 32 0.271 -3.819 -5.662 1.00 1.00 C ATOM 486 O SER A 32 -0.064 -4.879 -5.135 1.00 1.00 O ATOM 487 CB SER A 32 1.657 -3.476 -7.700 1.00 1.00 C ATOM 488 OG SER A 32 2.975 -3.228 -8.180 1.00 1.00 O ATOM 0 H SER A 32 2.792 -5.361 -6.588 1.00 1.00 H new ATOM 0 HA SER A 32 2.107 -2.719 -5.723 1.00 1.00 H new ATOM 0 HB2 SER A 32 1.257 -4.383 -8.153 1.00 1.00 H new ATOM 0 HB3 SER A 32 0.994 -2.659 -7.984 1.00 1.00 H new ATOM 0 HG SER A 32 2.956 -3.137 -9.156 1.00 1.00 H new ATOM 494 N VAL A 33 -0.561 -2.795 -5.818 1.00 1.00 N ATOM 495 CA VAL A 33 -1.963 -2.856 -5.368 1.00 1.00 C ATOM 496 C VAL A 33 -2.890 -2.121 -6.349 1.00 1.00 C ATOM 497 O VAL A 33 -2.583 -1.028 -6.824 1.00 1.00 O ATOM 498 CB VAL A 33 -2.076 -2.237 -3.959 1.00 1.00 C ATOM 499 CG1 VAL A 33 -1.403 -0.857 -3.939 1.00 1.00 C ATOM 500 CG2 VAL A 33 -3.558 -2.099 -3.548 1.00 1.00 C ATOM 0 H VAL A 33 -0.297 -1.910 -6.251 1.00 1.00 H new ATOM 0 HA VAL A 33 -2.275 -3.900 -5.333 1.00 1.00 H new ATOM 0 HB VAL A 33 -1.574 -2.894 -3.249 1.00 1.00 H new ATOM 0 HG11 VAL A 33 -1.487 -0.426 -2.941 1.00 1.00 H new ATOM 0 HG12 VAL A 33 -0.350 -0.962 -4.202 1.00 1.00 H new ATOM 0 HG13 VAL A 33 -1.894 -0.202 -4.659 1.00 1.00 H new ATOM 0 HG21 VAL A 33 -3.620 -1.661 -2.552 1.00 1.00 H new ATOM 0 HG22 VAL A 33 -4.075 -1.456 -4.260 1.00 1.00 H new ATOM 0 HG23 VAL A 33 -4.027 -3.083 -3.541 1.00 1.00 H new ATOM 510 N ARG A 34 -4.033 -2.733 -6.640 1.00 1.00 N ATOM 511 CA ARG A 34 -5.028 -2.147 -7.550 1.00 1.00 C ATOM 512 C ARG A 34 -6.106 -1.450 -6.736 1.00 1.00 C ATOM 513 O ARG A 34 -6.671 -2.017 -5.802 1.00 1.00 O ATOM 514 CB ARG A 34 -5.665 -3.255 -8.401 1.00 1.00 C ATOM 515 CG ARG A 34 -6.616 -2.640 -9.431 1.00 1.00 C ATOM 516 CD ARG A 34 -7.205 -3.748 -10.304 1.00 1.00 C ATOM 517 NE ARG A 34 -8.015 -4.646 -9.493 1.00 1.00 N ATOM 518 CZ ARG A 34 -8.560 -5.739 -10.017 1.00 1.00 C ATOM 519 NH1 ARG A 34 -8.373 -6.022 -11.278 1.00 1.00 N ATOM 520 NH2 ARG A 34 -9.285 -6.524 -9.272 1.00 1.00 N ATOM 0 H ARG A 34 -4.300 -3.641 -6.259 1.00 1.00 H new ATOM 0 HA ARG A 34 -4.540 -1.425 -8.205 1.00 1.00 H new ATOM 0 HB2 ARG A 34 -4.888 -3.828 -8.907 1.00 1.00 H new ATOM 0 HB3 ARG A 34 -6.208 -3.950 -7.761 1.00 1.00 H new ATOM 0 HG2 ARG A 34 -7.415 -2.097 -8.926 1.00 1.00 H new ATOM 0 HG3 ARG A 34 -6.082 -1.919 -10.050 1.00 1.00 H new ATOM 0 HD2 ARG A 34 -7.814 -3.313 -11.097 1.00 1.00 H new ATOM 0 HD3 ARG A 34 -6.403 -4.306 -10.788 1.00 1.00 H new ATOM 0 HE ARG A 34 -8.167 -4.433 -8.507 1.00 1.00 H new ATOM 0 HH11 ARG A 34 -7.809 -5.404 -11.861 1.00 1.00 H new ATOM 0 HH12 ARG A 34 -8.791 -6.861 -11.680 1.00 1.00 H new ATOM 0 HH21 ARG A 34 -9.434 -6.299 -8.288 1.00 1.00 H new ATOM 0 HH22 ARG A 34 -9.704 -7.363 -9.672 1.00 1.00 H new ATOM 534 N VAL A 35 -6.390 -0.199 -7.087 1.00 1.00 N ATOM 535 CA VAL A 35 -7.405 0.597 -6.375 1.00 1.00 C ATOM 536 C VAL A 35 -8.470 1.133 -7.330 1.00 1.00 C ATOM 537 O VAL A 35 -8.180 1.664 -8.401 1.00 1.00 O ATOM 538 CB VAL A 35 -6.726 1.772 -5.640 1.00 1.00 C ATOM 539 CG1 VAL A 35 -7.659 2.298 -4.541 1.00 1.00 C ATOM 540 CG2 VAL A 35 -5.419 1.288 -5.003 1.00 1.00 C ATOM 0 H VAL A 35 -5.937 0.292 -7.858 1.00 1.00 H new ATOM 0 HA VAL A 35 -7.897 -0.055 -5.654 1.00 1.00 H new ATOM 0 HB VAL A 35 -6.514 2.570 -6.352 1.00 1.00 H new ATOM 0 HG11 VAL A 35 -7.179 3.128 -4.022 1.00 1.00 H new ATOM 0 HG12 VAL A 35 -8.592 2.641 -4.989 1.00 1.00 H new ATOM 0 HG13 VAL A 35 -7.870 1.499 -3.830 1.00 1.00 H new ATOM 0 HG21 VAL A 35 -4.939 2.117 -4.484 1.00 1.00 H new ATOM 0 HG22 VAL A 35 -5.634 0.490 -4.292 1.00 1.00 H new ATOM 0 HG23 VAL A 35 -4.753 0.912 -5.780 1.00 1.00 H new ATOM 550 N LYS A 36 -9.727 0.993 -6.921 1.00 1.00 N ATOM 551 CA LYS A 36 -10.868 1.459 -7.718 1.00 1.00 C ATOM 552 C LYS A 36 -11.490 2.701 -7.078 1.00 1.00 C ATOM 553 O LYS A 36 -11.474 2.872 -5.860 1.00 1.00 O ATOM 554 CB LYS A 36 -11.915 0.344 -7.802 1.00 1.00 C ATOM 555 CG LYS A 36 -11.311 -0.872 -8.515 1.00 1.00 C ATOM 556 CD LYS A 36 -12.358 -1.984 -8.592 1.00 1.00 C ATOM 557 CE LYS A 36 -11.748 -3.217 -9.255 1.00 1.00 C ATOM 558 NZ LYS A 36 -12.761 -4.311 -9.300 1.00 1.00 N ATOM 0 H LYS A 36 -9.987 0.558 -6.036 1.00 1.00 H new ATOM 0 HA LYS A 36 -10.523 1.717 -8.719 1.00 1.00 H new ATOM 0 HB2 LYS A 36 -12.246 0.065 -6.802 1.00 1.00 H new ATOM 0 HB3 LYS A 36 -12.794 0.696 -8.342 1.00 1.00 H new ATOM 0 HG2 LYS A 36 -10.984 -0.595 -9.517 1.00 1.00 H new ATOM 0 HG3 LYS A 36 -10.430 -1.223 -7.977 1.00 1.00 H new ATOM 0 HD2 LYS A 36 -12.712 -2.234 -7.592 1.00 1.00 H new ATOM 0 HD3 LYS A 36 -13.224 -1.644 -9.160 1.00 1.00 H new ATOM 0 HE2 LYS A 36 -11.416 -2.973 -10.264 1.00 1.00 H new ATOM 0 HE3 LYS A 36 -10.869 -3.544 -8.700 1.00 1.00 H new ATOM 0 HZ1 LYS A 36 -12.345 -5.151 -9.752 1.00 1.00 H new ATOM 0 HZ2 LYS A 36 -13.058 -4.549 -8.332 1.00 1.00 H new ATOM 0 HZ3 LYS A 36 -13.587 -3.997 -9.848 1.00 1.00 H new ATOM 572 N THR A 37 -12.046 3.572 -7.914 1.00 1.00 N ATOM 573 CA THR A 37 -12.682 4.821 -7.436 1.00 1.00 C ATOM 574 C THR A 37 -14.097 4.966 -7.983 1.00 1.00 C ATOM 575 O THR A 37 -14.335 4.801 -9.179 1.00 1.00 O ATOM 576 CB THR A 37 -11.855 6.028 -7.876 1.00 1.00 C ATOM 577 OG1 THR A 37 -11.771 6.057 -9.288 1.00 1.00 O ATOM 578 CG2 THR A 37 -10.445 5.944 -7.286 1.00 1.00 C ATOM 0 H THR A 37 -12.075 3.447 -8.926 1.00 1.00 H new ATOM 0 HA THR A 37 -12.729 4.774 -6.348 1.00 1.00 H new ATOM 0 HB THR A 37 -12.339 6.937 -7.518 1.00 1.00 H new ATOM 0 HG1 THR A 37 -11.610 6.976 -9.587 1.00 1.00 H new ATOM 0 HG21 THR A 37 -9.864 6.809 -7.606 1.00 1.00 H new ATOM 0 HG22 THR A 37 -10.506 5.931 -6.198 1.00 1.00 H new ATOM 0 HG23 THR A 37 -9.959 5.032 -7.633 1.00 1.00 H new ATOM 586 N GLU A 38 -15.042 5.284 -7.102 1.00 1.00 N ATOM 587 CA GLU A 38 -16.431 5.456 -7.512 1.00 1.00 C ATOM 588 C GLU A 38 -16.531 6.534 -8.574 1.00 1.00 C ATOM 589 O GLU A 38 -16.704 6.261 -9.762 1.00 1.00 O ATOM 590 CB GLU A 38 -17.299 5.825 -6.297 1.00 1.00 C ATOM 591 CG GLU A 38 -18.785 5.814 -6.686 1.00 1.00 C ATOM 592 CD GLU A 38 -19.650 6.154 -5.475 1.00 1.00 C ATOM 593 OE1 GLU A 38 -19.140 6.108 -4.366 1.00 1.00 O ATOM 594 OE2 GLU A 38 -20.816 6.459 -5.674 1.00 1.00 O ATOM 0 H GLU A 38 -14.872 5.427 -6.106 1.00 1.00 H new ATOM 0 HA GLU A 38 -16.794 4.517 -7.930 1.00 1.00 H new ATOM 0 HB2 GLU A 38 -17.122 5.118 -5.486 1.00 1.00 H new ATOM 0 HB3 GLU A 38 -17.019 6.811 -5.927 1.00 1.00 H new ATOM 0 HG2 GLU A 38 -18.965 6.534 -7.484 1.00 1.00 H new ATOM 0 HG3 GLU A 38 -19.059 4.833 -7.074 1.00 1.00 H new ATOM 601 N GLY A 39 -16.413 7.787 -8.143 1.00 1.00 N ATOM 602 CA GLY A 39 -16.487 8.921 -9.053 1.00 1.00 C ATOM 603 C GLY A 39 -15.369 8.865 -10.085 1.00 1.00 C ATOM 604 O GLY A 39 -14.416 8.097 -9.950 1.00 1.00 O ATOM 0 H GLY A 39 -16.265 8.041 -7.166 1.00 1.00 H new ATOM 0 HA2 GLY A 39 -17.453 8.925 -9.558 1.00 1.00 H new ATOM 0 HA3 GLY A 39 -16.419 9.851 -8.488 1.00 1.00 H new ATOM 608 N TYR A 40 -15.494 9.683 -11.124 1.00 1.00 N ATOM 609 CA TYR A 40 -14.504 9.736 -12.200 1.00 1.00 C ATOM 610 C TYR A 40 -13.293 10.574 -11.780 1.00 1.00 C ATOM 611 O TYR A 40 -13.261 11.177 -10.707 1.00 1.00 O ATOM 612 CB TYR A 40 -15.154 10.321 -13.472 1.00 1.00 C ATOM 613 CG TYR A 40 -15.979 11.549 -13.118 1.00 1.00 C ATOM 614 CD1 TYR A 40 -17.275 11.389 -12.605 1.00 1.00 C ATOM 615 CD2 TYR A 40 -15.458 12.841 -13.297 1.00 1.00 C ATOM 616 CE1 TYR A 40 -18.045 12.509 -12.273 1.00 1.00 C ATOM 617 CE2 TYR A 40 -16.233 13.962 -12.963 1.00 1.00 C ATOM 618 CZ TYR A 40 -17.524 13.794 -12.451 1.00 1.00 C ATOM 619 OH TYR A 40 -18.286 14.898 -12.121 1.00 1.00 O ATOM 0 H TYR A 40 -16.277 10.325 -11.247 1.00 1.00 H new ATOM 0 HA TYR A 40 -14.155 8.725 -12.411 1.00 1.00 H new ATOM 0 HB2 TYR A 40 -14.383 10.587 -14.195 1.00 1.00 H new ATOM 0 HB3 TYR A 40 -15.788 9.571 -13.944 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -17.680 10.397 -12.466 1.00 1.00 H new ATOM 0 HD2 TYR A 40 -14.461 12.972 -13.692 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -19.042 12.381 -11.879 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -15.832 14.955 -13.101 1.00 1.00 H new ATOM 0 HH TYR A 40 -17.776 15.714 -12.304 1.00 1.00 H new ATOM 629 N ASN A 41 -12.286 10.605 -12.645 1.00 1.00 N ATOM 630 CA ASN A 41 -11.046 11.358 -12.379 1.00 1.00 C ATOM 631 C ASN A 41 -10.769 12.363 -13.509 1.00 1.00 C ATOM 632 O ASN A 41 -10.127 12.010 -14.498 1.00 1.00 O ATOM 633 CB ASN A 41 -9.877 10.373 -12.263 1.00 1.00 C ATOM 634 CG ASN A 41 -10.094 9.464 -11.053 1.00 1.00 C ATOM 635 OD1 ASN A 41 -11.198 8.777 -10.960 1.00 1.00 O flip ATOM 636 ND2 ASN A 41 -9.240 9.388 -10.171 1.00 1.00 N flip ATOM 0 H ASN A 41 -12.295 10.119 -13.542 1.00 1.00 H new ATOM 0 HA ASN A 41 -11.159 11.912 -11.447 1.00 1.00 H new ATOM 0 HB2 ASN A 41 -9.800 9.775 -13.171 1.00 1.00 H new ATOM 0 HB3 ASN A 41 -8.938 10.917 -12.159 1.00 1.00 H new ATOM 0 HD21 ASN A 41 -8.378 9.927 -10.248 1.00 1.00 H new ATOM 0 HD22 ASN A 41 -9.394 8.786 -9.362 1.00 1.00 H new ATOM 643 N PRO A 42 -11.211 13.584 -13.388 1.00 1.00 N ATOM 644 CA PRO A 42 -10.976 14.620 -14.446 1.00 1.00 C ATOM 645 C PRO A 42 -9.497 14.733 -14.824 1.00 1.00 C ATOM 646 O PRO A 42 -9.143 14.879 -15.993 1.00 1.00 O ATOM 647 CB PRO A 42 -11.495 15.931 -13.805 1.00 1.00 C ATOM 648 CG PRO A 42 -12.514 15.482 -12.804 1.00 1.00 C ATOM 649 CD PRO A 42 -11.991 14.144 -12.258 1.00 1.00 C ATOM 0 HA PRO A 42 -11.483 14.375 -15.379 1.00 1.00 H new ATOM 0 HB2 PRO A 42 -10.687 16.486 -13.328 1.00 1.00 H new ATOM 0 HB3 PRO A 42 -11.937 16.590 -14.552 1.00 1.00 H new ATOM 0 HG2 PRO A 42 -12.628 16.214 -12.005 1.00 1.00 H new ATOM 0 HG3 PRO A 42 -13.493 15.361 -13.268 1.00 1.00 H new ATOM 0 HD2 PRO A 42 -11.369 14.288 -11.374 1.00 1.00 H new ATOM 0 HD3 PRO A 42 -12.808 13.483 -11.969 1.00 1.00 H new ATOM 657 N SER A 43 -8.628 14.673 -13.819 1.00 1.00 N ATOM 658 CA SER A 43 -7.190 14.780 -14.048 1.00 1.00 C ATOM 659 C SER A 43 -6.413 14.329 -12.812 1.00 1.00 C ATOM 660 O SER A 43 -6.171 13.137 -12.618 1.00 1.00 O ATOM 661 CB SER A 43 -6.827 16.229 -14.400 1.00 1.00 C ATOM 662 OG SER A 43 -7.435 16.579 -15.637 1.00 1.00 O ATOM 0 H SER A 43 -8.893 14.551 -12.842 1.00 1.00 H new ATOM 0 HA SER A 43 -6.919 14.130 -14.880 1.00 1.00 H new ATOM 0 HB2 SER A 43 -7.165 16.902 -13.612 1.00 1.00 H new ATOM 0 HB3 SER A 43 -5.745 16.338 -14.470 1.00 1.00 H new ATOM 0 HG SER A 43 -7.728 15.766 -16.099 1.00 1.00 H new ATOM 668 N ILE A 44 -6.020 15.289 -11.981 1.00 1.00 N ATOM 669 CA ILE A 44 -5.265 15.001 -10.759 1.00 1.00 C ATOM 670 C ILE A 44 -3.971 14.257 -11.102 1.00 1.00 C ATOM 671 O ILE A 44 -3.951 13.401 -11.986 1.00 1.00 O ATOM 672 CB ILE A 44 -6.126 14.169 -9.789 1.00 1.00 C ATOM 673 CG1 ILE A 44 -7.453 14.906 -9.523 1.00 1.00 C ATOM 674 CG2 ILE A 44 -5.381 13.975 -8.459 1.00 1.00 C ATOM 675 CD1 ILE A 44 -8.398 14.007 -8.718 1.00 1.00 C ATOM 0 H ILE A 44 -6.212 16.280 -12.130 1.00 1.00 H new ATOM 0 HA ILE A 44 -5.005 15.941 -10.273 1.00 1.00 H new ATOM 0 HB ILE A 44 -6.325 13.195 -10.235 1.00 1.00 H new ATOM 0 HG12 ILE A 44 -7.263 15.830 -8.976 1.00 1.00 H new ATOM 0 HG13 ILE A 44 -7.920 15.185 -10.468 1.00 1.00 H new ATOM 0 HG21 ILE A 44 -5.997 13.386 -7.780 1.00 1.00 H new ATOM 0 HG22 ILE A 44 -4.441 13.454 -8.641 1.00 1.00 H new ATOM 0 HG23 ILE A 44 -5.176 14.948 -8.012 1.00 1.00 H new ATOM 0 HD11 ILE A 44 -9.334 14.535 -8.534 1.00 1.00 H new ATOM 0 HD12 ILE A 44 -8.600 13.096 -9.281 1.00 1.00 H new ATOM 0 HD13 ILE A 44 -7.933 13.750 -7.766 1.00 1.00 H new ATOM 687 N ASN A 45 -2.892 14.587 -10.398 1.00 1.00 N ATOM 688 CA ASN A 45 -1.593 13.953 -10.632 1.00 1.00 C ATOM 689 C ASN A 45 -1.475 12.648 -9.842 1.00 1.00 C ATOM 690 O ASN A 45 -1.134 12.648 -8.658 1.00 1.00 O ATOM 691 CB ASN A 45 -0.479 14.920 -10.214 1.00 1.00 C ATOM 692 CG ASN A 45 -0.499 16.160 -11.107 1.00 1.00 C ATOM 693 OD1 ASN A 45 -0.767 16.060 -12.303 1.00 1.00 O ATOM 694 ND2 ASN A 45 -0.228 17.329 -10.592 1.00 1.00 N ATOM 0 H ASN A 45 -2.889 15.290 -9.659 1.00 1.00 H new ATOM 0 HA ASN A 45 -1.500 13.717 -11.692 1.00 1.00 H new ATOM 0 HB2 ASN A 45 -0.611 15.211 -9.172 1.00 1.00 H new ATOM 0 HB3 ASN A 45 0.489 14.425 -10.287 1.00 1.00 H new ATOM 0 HD21 ASN A 45 -0.238 18.161 -11.182 1.00 1.00 H new ATOM 0 HD22 ASN A 45 -0.006 17.410 -9.600 1.00 1.00 H new ATOM 701 N VAL A 46 -1.751 11.527 -10.500 1.00 1.00 N ATOM 702 CA VAL A 46 -1.676 10.202 -9.864 1.00 1.00 C ATOM 703 C VAL A 46 -0.251 9.645 -9.935 1.00 1.00 C ATOM 704 O VAL A 46 0.002 8.504 -9.551 1.00 1.00 O ATOM 705 CB VAL A 46 -2.653 9.240 -10.559 1.00 1.00 C ATOM 706 CG1 VAL A 46 -4.088 9.753 -10.379 1.00 1.00 C ATOM 707 CG2 VAL A 46 -2.326 9.157 -12.056 1.00 1.00 C ATOM 0 H VAL A 46 -2.031 11.503 -11.480 1.00 1.00 H new ATOM 0 HA VAL A 46 -1.951 10.303 -8.814 1.00 1.00 H new ATOM 0 HB VAL A 46 -2.558 8.249 -10.115 1.00 1.00 H new ATOM 0 HG11 VAL A 46 -4.782 9.072 -10.871 1.00 1.00 H new ATOM 0 HG12 VAL A 46 -4.325 9.807 -9.316 1.00 1.00 H new ATOM 0 HG13 VAL A 46 -4.178 10.745 -10.821 1.00 1.00 H new ATOM 0 HG21 VAL A 46 -3.022 8.474 -12.543 1.00 1.00 H new ATOM 0 HG22 VAL A 46 -2.416 10.147 -12.504 1.00 1.00 H new ATOM 0 HG23 VAL A 46 -1.307 8.791 -12.186 1.00 1.00 H new ATOM 717 N ASN A 47 0.677 10.461 -10.423 1.00 1.00 N ATOM 718 CA ASN A 47 2.087 10.051 -10.544 1.00 1.00 C ATOM 719 C ASN A 47 2.890 10.556 -9.345 1.00 1.00 C ATOM 720 O ASN A 47 4.088 10.307 -9.233 1.00 1.00 O ATOM 721 CB ASN A 47 2.673 10.620 -11.844 1.00 1.00 C ATOM 722 CG ASN A 47 2.050 9.930 -13.056 1.00 1.00 C ATOM 723 OD1 ASN A 47 1.527 8.823 -12.942 1.00 1.00 O ATOM 724 ND2 ASN A 47 2.071 10.526 -14.217 1.00 1.00 N ATOM 0 H ASN A 47 0.487 11.411 -10.743 1.00 1.00 H new ATOM 0 HA ASN A 47 2.143 8.963 -10.566 1.00 1.00 H new ATOM 0 HB2 ASN A 47 2.489 11.693 -11.894 1.00 1.00 H new ATOM 0 HB3 ASN A 47 3.754 10.481 -11.854 1.00 1.00 H new ATOM 0 HD21 ASN A 47 1.653 10.073 -15.030 1.00 1.00 H new ATOM 0 HD22 ASN A 47 2.505 11.444 -14.311 1.00 1.00 H new ATOM 731 N GLU A 48 2.207 11.268 -8.453 1.00 1.00 N ATOM 732 CA GLU A 48 2.840 11.832 -7.247 1.00 1.00 C ATOM 733 C GLU A 48 2.167 11.280 -5.993 1.00 1.00 C ATOM 734 O GLU A 48 2.468 11.706 -4.878 1.00 1.00 O ATOM 735 CB GLU A 48 2.725 13.375 -7.294 1.00 1.00 C ATOM 736 CG GLU A 48 3.806 13.966 -8.221 1.00 1.00 C ATOM 737 CD GLU A 48 3.604 13.471 -9.648 1.00 1.00 C ATOM 738 OE1 GLU A 48 2.477 13.173 -9.996 1.00 1.00 O ATOM 739 OE2 GLU A 48 4.583 13.394 -10.371 1.00 1.00 O ATOM 0 H GLU A 48 1.211 11.473 -8.536 1.00 1.00 H new ATOM 0 HA GLU A 48 3.893 11.551 -7.217 1.00 1.00 H new ATOM 0 HB2 GLU A 48 1.735 13.662 -7.650 1.00 1.00 H new ATOM 0 HB3 GLU A 48 2.834 13.785 -6.290 1.00 1.00 H new ATOM 0 HG2 GLU A 48 3.761 15.055 -8.196 1.00 1.00 H new ATOM 0 HG3 GLU A 48 4.796 13.680 -7.866 1.00 1.00 H new ATOM 746 N LEU A 49 1.258 10.328 -6.179 1.00 1.00 N ATOM 747 CA LEU A 49 0.532 9.695 -5.067 1.00 1.00 C ATOM 748 C LEU A 49 0.768 8.189 -5.095 1.00 1.00 C ATOM 749 O LEU A 49 0.592 7.526 -6.119 1.00 1.00 O ATOM 750 CB LEU A 49 -0.965 9.988 -5.197 1.00 1.00 C ATOM 751 CG LEU A 49 -1.203 11.510 -5.301 1.00 1.00 C ATOM 752 CD1 LEU A 49 -2.697 11.761 -5.532 1.00 1.00 C ATOM 753 CD2 LEU A 49 -0.760 12.230 -4.003 1.00 1.00 C ATOM 0 H LEU A 49 1.000 9.970 -7.099 1.00 1.00 H new ATOM 0 HA LEU A 49 0.895 10.098 -4.121 1.00 1.00 H new ATOM 0 HB2 LEU A 49 -1.365 9.489 -6.079 1.00 1.00 H new ATOM 0 HB3 LEU A 49 -1.498 9.587 -4.335 1.00 1.00 H new ATOM 0 HG LEU A 49 -0.615 11.903 -6.131 1.00 1.00 H new ATOM 0 HD11 LEU A 49 -2.878 12.833 -5.607 1.00 1.00 H new ATOM 0 HD12 LEU A 49 -3.009 11.274 -6.456 1.00 1.00 H new ATOM 0 HD13 LEU A 49 -3.268 11.354 -4.697 1.00 1.00 H new ATOM 0 HD21 LEU A 49 -0.938 13.301 -4.102 1.00 1.00 H new ATOM 0 HD22 LEU A 49 -1.332 11.844 -3.159 1.00 1.00 H new ATOM 0 HD23 LEU A 49 0.302 12.053 -3.833 1.00 1.00 H new ATOM 765 N PHE A 50 1.177 7.644 -3.956 1.00 1.00 N ATOM 766 CA PHE A 50 1.467 6.204 -3.843 1.00 1.00 C ATOM 767 C PHE A 50 0.839 5.604 -2.594 1.00 1.00 C ATOM 768 O PHE A 50 0.012 6.214 -1.917 1.00 1.00 O ATOM 769 CB PHE A 50 2.987 5.998 -3.776 1.00 1.00 C ATOM 770 CG PHE A 50 3.646 6.613 -4.997 1.00 1.00 C ATOM 771 CD1 PHE A 50 3.790 5.862 -6.174 1.00 1.00 C ATOM 772 CD2 PHE A 50 4.112 7.936 -4.956 1.00 1.00 C ATOM 773 CE1 PHE A 50 4.404 6.427 -7.297 1.00 1.00 C ATOM 774 CE2 PHE A 50 4.726 8.499 -6.082 1.00 1.00 C ATOM 775 CZ PHE A 50 4.867 7.748 -7.252 1.00 1.00 C ATOM 0 H PHE A 50 1.318 8.170 -3.093 1.00 1.00 H new ATOM 0 HA PHE A 50 1.045 5.706 -4.716 1.00 1.00 H new ATOM 0 HB2 PHE A 50 3.385 6.453 -2.869 1.00 1.00 H new ATOM 0 HB3 PHE A 50 3.217 4.934 -3.725 1.00 1.00 H new ATOM 0 HD1 PHE A 50 3.426 4.846 -6.213 1.00 1.00 H new ATOM 0 HD2 PHE A 50 3.997 8.521 -4.055 1.00 1.00 H new ATOM 0 HE1 PHE A 50 4.521 5.844 -8.199 1.00 1.00 H new ATOM 0 HE2 PHE A 50 5.091 9.515 -6.046 1.00 1.00 H new ATOM 0 HZ PHE A 50 5.333 8.186 -8.122 1.00 1.00 H new ATOM 785 N ALA A 51 1.255 4.375 -2.300 1.00 1.00 N ATOM 786 CA ALA A 51 0.769 3.642 -1.121 1.00 1.00 C ATOM 787 C ALA A 51 1.930 3.413 -0.168 1.00 1.00 C ATOM 788 O ALA A 51 3.046 3.119 -0.596 1.00 1.00 O ATOM 789 CB ALA A 51 0.170 2.300 -1.552 1.00 1.00 C ATOM 0 H ALA A 51 1.931 3.858 -2.862 1.00 1.00 H new ATOM 0 HA ALA A 51 -0.005 4.223 -0.620 1.00 1.00 H new ATOM 0 HB1 ALA A 51 -0.188 1.762 -0.674 1.00 1.00 H new ATOM 0 HB2 ALA A 51 -0.662 2.475 -2.234 1.00 1.00 H new ATOM 0 HB3 ALA A 51 0.933 1.706 -2.055 1.00 1.00 H new ATOM 795 N TYR A 52 1.687 3.555 1.131 1.00 1.00 N ATOM 796 CA TYR A 52 2.760 3.380 2.126 1.00 1.00 C ATOM 797 C TYR A 52 2.274 2.670 3.384 1.00 1.00 C ATOM 798 O TYR A 52 1.102 2.721 3.758 1.00 1.00 O ATOM 799 CB TYR A 52 3.324 4.759 2.487 1.00 1.00 C ATOM 800 CG TYR A 52 2.178 5.680 2.833 1.00 1.00 C ATOM 801 CD1 TYR A 52 1.446 6.282 1.802 1.00 1.00 C ATOM 802 CD2 TYR A 52 1.846 5.939 4.168 1.00 1.00 C ATOM 803 CE1 TYR A 52 0.378 7.127 2.105 1.00 1.00 C ATOM 804 CE2 TYR A 52 0.777 6.787 4.471 1.00 1.00 C ATOM 805 CZ TYR A 52 0.048 7.388 3.437 1.00 1.00 C ATOM 806 OH TYR A 52 -1.012 8.222 3.733 1.00 1.00 O ATOM 0 H TYR A 52 0.774 3.787 1.523 1.00 1.00 H new ATOM 0 HA TYR A 52 3.534 2.751 1.686 1.00 1.00 H new ATOM 0 HB2 TYR A 52 4.010 4.677 3.330 1.00 1.00 H new ATOM 0 HB3 TYR A 52 3.894 5.164 1.651 1.00 1.00 H new ATOM 0 HD1 TYR A 52 1.708 6.092 0.772 1.00 1.00 H new ATOM 0 HD2 TYR A 52 2.416 5.483 4.964 1.00 1.00 H new ATOM 0 HE1 TYR A 52 -0.194 7.580 1.309 1.00 1.00 H new ATOM 0 HE2 TYR A 52 0.514 6.978 5.501 1.00 1.00 H new ATOM 0 HH TYR A 52 -1.683 8.163 3.022 1.00 1.00 H new ATOM 816 N VAL A 53 3.216 2.003 4.043 1.00 1.00 N ATOM 817 CA VAL A 53 2.937 1.266 5.285 1.00 1.00 C ATOM 818 C VAL A 53 3.606 1.979 6.454 1.00 1.00 C ATOM 819 O VAL A 53 4.730 2.466 6.341 1.00 1.00 O ATOM 820 CB VAL A 53 3.467 -0.180 5.174 1.00 1.00 C ATOM 821 CG1 VAL A 53 2.583 -0.973 4.207 1.00 1.00 C ATOM 822 CG2 VAL A 53 4.903 -0.169 4.639 1.00 1.00 C ATOM 0 H VAL A 53 4.189 1.954 3.740 1.00 1.00 H new ATOM 0 HA VAL A 53 1.860 1.230 5.450 1.00 1.00 H new ATOM 0 HB VAL A 53 3.449 -0.643 6.161 1.00 1.00 H new ATOM 0 HG11 VAL A 53 2.956 -1.994 4.127 1.00 1.00 H new ATOM 0 HG12 VAL A 53 1.559 -0.989 4.580 1.00 1.00 H new ATOM 0 HG13 VAL A 53 2.604 -0.501 3.225 1.00 1.00 H new ATOM 0 HG21 VAL A 53 5.271 -1.192 4.563 1.00 1.00 H new ATOM 0 HG22 VAL A 53 4.921 0.297 3.654 1.00 1.00 H new ATOM 0 HG23 VAL A 53 5.540 0.396 5.319 1.00 1.00 H new ATOM 832 N ASP A 54 2.908 2.037 7.584 1.00 1.00 N ATOM 833 CA ASP A 54 3.443 2.711 8.769 1.00 1.00 C ATOM 834 C ASP A 54 4.472 1.830 9.458 1.00 1.00 C ATOM 835 O ASP A 54 4.153 1.048 10.352 1.00 1.00 O ATOM 836 CB ASP A 54 2.300 3.044 9.737 1.00 1.00 C ATOM 837 CG ASP A 54 1.363 4.083 9.115 1.00 1.00 C ATOM 838 OD1 ASP A 54 1.760 4.712 8.146 1.00 1.00 O ATOM 839 OD2 ASP A 54 0.261 4.231 9.617 1.00 1.00 O ATOM 0 H ASP A 54 1.980 1.631 7.707 1.00 1.00 H new ATOM 0 HA ASP A 54 3.930 3.636 8.460 1.00 1.00 H new ATOM 0 HB2 ASP A 54 1.742 2.139 9.977 1.00 1.00 H new ATOM 0 HB3 ASP A 54 2.707 3.426 10.673 1.00 1.00 H new ATOM 844 N LEU A 55 5.723 1.964 9.029 1.00 1.00 N ATOM 845 CA LEU A 55 6.821 1.173 9.599 1.00 1.00 C ATOM 846 C LEU A 55 7.442 1.921 10.776 1.00 1.00 C ATOM 847 O LEU A 55 8.003 1.302 11.680 1.00 1.00 O ATOM 848 CB LEU A 55 7.889 0.880 8.489 1.00 1.00 C ATOM 849 CG LEU A 55 8.218 -0.638 8.405 1.00 1.00 C ATOM 850 CD1 LEU A 55 7.074 -1.399 7.714 1.00 1.00 C ATOM 851 CD2 LEU A 55 9.488 -0.845 7.581 1.00 1.00 C ATOM 0 H LEU A 55 6.007 2.609 8.291 1.00 1.00 H new ATOM 0 HA LEU A 55 6.437 0.222 9.966 1.00 1.00 H new ATOM 0 HB2 LEU A 55 7.518 1.227 7.525 1.00 1.00 H new ATOM 0 HB3 LEU A 55 8.800 1.440 8.701 1.00 1.00 H new ATOM 0 HG LEU A 55 8.353 -1.013 9.419 1.00 1.00 H new ATOM 0 HD11 LEU A 55 7.321 -2.460 7.664 1.00 1.00 H new ATOM 0 HD12 LEU A 55 6.154 -1.267 8.283 1.00 1.00 H new ATOM 0 HD13 LEU A 55 6.936 -1.010 6.705 1.00 1.00 H new ATOM 0 HD21 LEU A 55 9.715 -1.909 7.524 1.00 1.00 H new ATOM 0 HD22 LEU A 55 9.337 -0.452 6.576 1.00 1.00 H new ATOM 0 HD23 LEU A 55 10.318 -0.321 8.055 1.00 1.00 H new ATOM 863 N SER A 56 7.335 3.245 10.759 1.00 1.00 N ATOM 864 CA SER A 56 7.884 4.108 11.819 1.00 1.00 C ATOM 865 C SER A 56 9.105 3.481 12.509 1.00 1.00 C ATOM 866 O SER A 56 10.246 3.681 12.091 1.00 1.00 O ATOM 867 CB SER A 56 6.791 4.400 12.848 1.00 1.00 C ATOM 868 OG SER A 56 7.297 5.283 13.839 1.00 1.00 O ATOM 0 H SER A 56 6.866 3.759 10.013 1.00 1.00 H new ATOM 0 HA SER A 56 8.222 5.035 11.355 1.00 1.00 H new ATOM 0 HB2 SER A 56 5.925 4.844 12.358 1.00 1.00 H new ATOM 0 HB3 SER A 56 6.455 3.472 13.310 1.00 1.00 H new ATOM 0 HG SER A 56 6.596 5.472 14.498 1.00 1.00 H new ATOM 874 N GLY A 57 8.863 2.717 13.567 1.00 1.00 N ATOM 875 CA GLY A 57 9.939 2.059 14.294 1.00 1.00 C ATOM 876 C GLY A 57 10.677 1.060 13.398 1.00 1.00 C ATOM 877 O GLY A 57 11.799 1.322 12.963 1.00 1.00 O ATOM 0 H GLY A 57 7.931 2.538 13.940 1.00 1.00 H new ATOM 0 HA2 GLY A 57 10.640 2.806 14.667 1.00 1.00 H new ATOM 0 HA3 GLY A 57 9.532 1.542 15.163 1.00 1.00 H new ATOM 881 N SER A 58 10.054 -0.086 13.139 1.00 1.00 N ATOM 882 CA SER A 58 10.635 -1.135 12.294 1.00 1.00 C ATOM 883 C SER A 58 11.732 -1.905 13.032 1.00 1.00 C ATOM 884 O SER A 58 12.889 -1.482 13.058 1.00 1.00 O ATOM 885 CB SER A 58 11.186 -0.542 10.982 1.00 1.00 C ATOM 886 OG SER A 58 11.188 -1.551 9.980 1.00 1.00 O ATOM 0 H SER A 58 9.131 -0.318 13.507 1.00 1.00 H new ATOM 0 HA SER A 58 9.837 -1.837 12.050 1.00 1.00 H new ATOM 0 HB2 SER A 58 10.574 0.302 10.664 1.00 1.00 H new ATOM 0 HB3 SER A 58 12.196 -0.163 11.136 1.00 1.00 H new ATOM 0 HG SER A 58 11.808 -1.299 9.264 1.00 1.00 H new ATOM 892 N GLU A 59 11.370 -3.039 13.619 1.00 1.00 N ATOM 893 CA GLU A 59 12.338 -3.875 14.368 1.00 1.00 C ATOM 894 C GLU A 59 12.390 -5.318 13.819 1.00 1.00 C ATOM 895 O GLU A 59 11.369 -5.828 13.355 1.00 1.00 O ATOM 896 CB GLU A 59 11.938 -3.904 15.845 1.00 1.00 C ATOM 897 CG GLU A 59 12.008 -2.483 16.409 1.00 1.00 C ATOM 898 CD GLU A 59 11.574 -2.472 17.870 1.00 1.00 C ATOM 899 OE1 GLU A 59 10.447 -2.852 18.136 1.00 1.00 O ATOM 900 OE2 GLU A 59 12.378 -2.081 18.699 1.00 1.00 O ATOM 0 H GLU A 59 10.421 -3.411 13.599 1.00 1.00 H new ATOM 0 HA GLU A 59 13.329 -3.437 14.251 1.00 1.00 H new ATOM 0 HB2 GLU A 59 10.929 -4.303 15.954 1.00 1.00 H new ATOM 0 HB3 GLU A 59 12.603 -4.563 16.402 1.00 1.00 H new ATOM 0 HG2 GLU A 59 13.025 -2.099 16.322 1.00 1.00 H new ATOM 0 HG3 GLU A 59 11.366 -1.821 15.827 1.00 1.00 H new ATOM 907 N PRO A 60 13.512 -5.981 13.868 1.00 1.00 N ATOM 908 CA PRO A 60 13.621 -7.389 13.354 1.00 1.00 C ATOM 909 C PRO A 60 12.491 -8.307 13.850 1.00 1.00 C ATOM 910 O PRO A 60 12.090 -8.263 15.013 1.00 1.00 O ATOM 911 CB PRO A 60 14.987 -7.877 13.903 1.00 1.00 C ATOM 912 CG PRO A 60 15.811 -6.636 14.060 1.00 1.00 C ATOM 913 CD PRO A 60 14.822 -5.503 14.391 1.00 1.00 C ATOM 0 HA PRO A 60 13.543 -7.416 12.267 1.00 1.00 H new ATOM 0 HB2 PRO A 60 14.867 -8.394 14.855 1.00 1.00 H new ATOM 0 HB3 PRO A 60 15.459 -8.580 13.216 1.00 1.00 H new ATOM 0 HG2 PRO A 60 16.547 -6.755 14.855 1.00 1.00 H new ATOM 0 HG3 PRO A 60 16.363 -6.417 13.146 1.00 1.00 H new ATOM 0 HD2 PRO A 60 14.776 -5.318 15.464 1.00 1.00 H new ATOM 0 HD3 PRO A 60 15.119 -4.567 13.918 1.00 1.00 H new ATOM 921 N GLY A 61 11.986 -9.149 12.954 1.00 1.00 N ATOM 922 CA GLY A 61 10.908 -10.099 13.275 1.00 1.00 C ATOM 923 C GLY A 61 9.904 -10.180 12.124 1.00 1.00 C ATOM 924 O GLY A 61 10.277 -10.255 10.954 1.00 1.00 O ATOM 0 H GLY A 61 12.306 -9.198 11.987 1.00 1.00 H new ATOM 0 HA2 GLY A 61 11.330 -11.085 13.467 1.00 1.00 H new ATOM 0 HA3 GLY A 61 10.400 -9.787 14.187 1.00 1.00 H new ATOM 928 N GLU A 62 8.618 -10.163 12.458 1.00 1.00 N ATOM 929 CA GLU A 62 7.554 -10.224 11.454 1.00 1.00 C ATOM 930 C GLU A 62 6.212 -9.954 12.121 1.00 1.00 C ATOM 931 O GLU A 62 5.983 -10.365 13.259 1.00 1.00 O ATOM 932 CB GLU A 62 7.547 -11.605 10.765 1.00 1.00 C ATOM 933 CG GLU A 62 6.367 -11.741 9.782 1.00 1.00 C ATOM 934 CD GLU A 62 6.420 -10.644 8.723 1.00 1.00 C ATOM 935 OE1 GLU A 62 6.022 -9.531 9.024 1.00 1.00 O ATOM 936 OE2 GLU A 62 6.843 -10.935 7.622 1.00 1.00 O ATOM 0 H GLU A 62 8.283 -10.107 13.420 1.00 1.00 H new ATOM 0 HA GLU A 62 7.733 -9.465 10.693 1.00 1.00 H new ATOM 0 HB2 GLU A 62 8.486 -11.751 10.230 1.00 1.00 H new ATOM 0 HB3 GLU A 62 7.485 -12.389 11.520 1.00 1.00 H new ATOM 0 HG2 GLU A 62 6.398 -12.719 9.302 1.00 1.00 H new ATOM 0 HG3 GLU A 62 5.425 -11.683 10.327 1.00 1.00 H new ATOM 943 N HIS A 63 5.320 -9.268 11.413 1.00 1.00 N ATOM 944 CA HIS A 63 4.007 -8.937 11.984 1.00 1.00 C ATOM 945 C HIS A 63 2.942 -8.729 10.913 1.00 1.00 C ATOM 946 O HIS A 63 3.097 -9.080 9.745 1.00 1.00 O ATOM 947 CB HIS A 63 4.119 -7.649 12.818 1.00 1.00 C ATOM 948 CG HIS A 63 5.201 -7.783 13.853 1.00 1.00 C ATOM 949 ND1 HIS A 63 6.498 -7.350 13.625 1.00 1.00 N ATOM 950 CD2 HIS A 63 5.185 -8.267 15.135 1.00 1.00 C ATOM 951 CE1 HIS A 63 7.203 -7.580 14.748 1.00 1.00 C ATOM 952 NE2 HIS A 63 6.448 -8.139 15.700 1.00 1.00 N ATOM 0 H HIS A 63 5.471 -8.933 10.461 1.00 1.00 H new ATOM 0 HA HIS A 63 3.705 -9.781 12.603 1.00 1.00 H new ATOM 0 HB2 HIS A 63 4.335 -6.804 12.165 1.00 1.00 H new ATOM 0 HB3 HIS A 63 3.166 -7.440 13.305 1.00 1.00 H new ATOM 0 HD2 HIS A 63 4.321 -8.685 15.631 1.00 1.00 H new ATOM 0 HE1 HIS A 63 8.250 -7.342 14.866 1.00 1.00 H new ATOM 0 HE2 HIS A 63 6.737 -8.413 16.639 1.00 1.00 H new ATOM 961 N ASP A 64 1.841 -8.124 11.346 1.00 1.00 N ATOM 962 CA ASP A 64 0.726 -7.820 10.443 1.00 1.00 C ATOM 963 C ASP A 64 0.627 -6.312 10.271 1.00 1.00 C ATOM 964 O ASP A 64 -0.035 -5.610 11.035 1.00 1.00 O ATOM 965 CB ASP A 64 -0.572 -8.361 11.052 1.00 1.00 C ATOM 966 CG ASP A 64 -0.765 -7.818 12.469 1.00 1.00 C ATOM 967 OD1 ASP A 64 0.167 -7.231 12.994 1.00 1.00 O ATOM 968 OD2 ASP A 64 -1.844 -8.002 13.007 1.00 1.00 O ATOM 0 H ASP A 64 1.693 -7.834 12.312 1.00 1.00 H new ATOM 0 HA ASP A 64 0.890 -8.286 9.471 1.00 1.00 H new ATOM 0 HB2 ASP A 64 -1.420 -8.077 10.428 1.00 1.00 H new ATOM 0 HB3 ASP A 64 -0.544 -9.450 11.074 1.00 1.00 H new ATOM 973 N TYR A 65 1.300 -5.796 9.247 1.00 1.00 N ATOM 974 CA TYR A 65 1.303 -4.359 8.981 1.00 1.00 C ATOM 975 C TYR A 65 0.060 -3.935 8.204 1.00 1.00 C ATOM 976 O TYR A 65 -0.314 -4.543 7.200 1.00 1.00 O ATOM 977 CB TYR A 65 2.564 -3.983 8.194 1.00 1.00 C ATOM 978 CG TYR A 65 3.787 -4.281 9.046 1.00 1.00 C ATOM 979 CD1 TYR A 65 4.272 -3.317 9.942 1.00 1.00 C ATOM 980 CD2 TYR A 65 4.425 -5.525 8.949 1.00 1.00 C ATOM 981 CE1 TYR A 65 5.389 -3.597 10.737 1.00 1.00 C ATOM 982 CE2 TYR A 65 5.545 -5.803 9.744 1.00 1.00 C ATOM 983 CZ TYR A 65 6.027 -4.839 10.637 1.00 1.00 C ATOM 984 OH TYR A 65 7.128 -5.114 11.422 1.00 1.00 O ATOM 0 H TYR A 65 1.849 -6.349 8.589 1.00 1.00 H new ATOM 0 HA TYR A 65 1.296 -3.836 9.937 1.00 1.00 H new ATOM 0 HB2 TYR A 65 2.608 -4.547 7.262 1.00 1.00 H new ATOM 0 HB3 TYR A 65 2.540 -2.927 7.927 1.00 1.00 H new ATOM 0 HD1 TYR A 65 3.783 -2.357 10.018 1.00 1.00 H new ATOM 0 HD2 TYR A 65 4.053 -6.270 8.261 1.00 1.00 H new ATOM 0 HE1 TYR A 65 5.759 -2.854 11.428 1.00 1.00 H new ATOM 0 HE2 TYR A 65 6.037 -6.762 9.668 1.00 1.00 H new ATOM 0 HH TYR A 65 6.896 -5.800 12.082 1.00 1.00 H new ATOM 994 N GLU A 66 -0.570 -2.871 8.688 1.00 1.00 N ATOM 995 CA GLU A 66 -1.785 -2.329 8.071 1.00 1.00 C ATOM 996 C GLU A 66 -1.457 -1.557 6.786 1.00 1.00 C ATOM 997 O GLU A 66 -0.362 -1.019 6.625 1.00 1.00 O ATOM 998 CB GLU A 66 -2.508 -1.394 9.085 1.00 1.00 C ATOM 999 CG GLU A 66 -1.488 -0.633 9.955 1.00 1.00 C ATOM 1000 CD GLU A 66 -0.444 0.066 9.084 1.00 1.00 C ATOM 1001 OE1 GLU A 66 -0.797 1.034 8.431 1.00 1.00 O ATOM 1002 OE2 GLU A 66 0.692 -0.382 9.080 1.00 1.00 O ATOM 0 H GLU A 66 -0.259 -2.359 9.514 1.00 1.00 H new ATOM 0 HA GLU A 66 -2.439 -3.160 7.806 1.00 1.00 H new ATOM 0 HB2 GLU A 66 -3.135 -0.683 8.547 1.00 1.00 H new ATOM 0 HB3 GLU A 66 -3.168 -1.983 9.722 1.00 1.00 H new ATOM 0 HG2 GLU A 66 -2.006 0.103 10.570 1.00 1.00 H new ATOM 0 HG3 GLU A 66 -0.994 -1.327 10.635 1.00 1.00 H new ATOM 1009 N VAL A 67 -2.430 -1.497 5.884 1.00 1.00 N ATOM 1010 CA VAL A 67 -2.270 -0.778 4.607 1.00 1.00 C ATOM 1011 C VAL A 67 -2.801 0.648 4.736 1.00 1.00 C ATOM 1012 O VAL A 67 -4.004 0.880 4.850 1.00 1.00 O ATOM 1013 CB VAL A 67 -3.046 -1.506 3.497 1.00 1.00 C ATOM 1014 CG1 VAL A 67 -2.893 -0.761 2.155 1.00 1.00 C ATOM 1015 CG2 VAL A 67 -2.506 -2.936 3.353 1.00 1.00 C ATOM 0 H VAL A 67 -3.343 -1.936 6.006 1.00 1.00 H new ATOM 0 HA VAL A 67 -1.210 -0.748 4.355 1.00 1.00 H new ATOM 0 HB VAL A 67 -4.102 -1.534 3.764 1.00 1.00 H new ATOM 0 HG11 VAL A 67 -3.448 -1.289 1.380 1.00 1.00 H new ATOM 0 HG12 VAL A 67 -3.283 0.252 2.255 1.00 1.00 H new ATOM 0 HG13 VAL A 67 -1.839 -0.718 1.881 1.00 1.00 H new ATOM 0 HG21 VAL A 67 -3.054 -3.455 2.567 1.00 1.00 H new ATOM 0 HG22 VAL A 67 -1.448 -2.901 3.095 1.00 1.00 H new ATOM 0 HG23 VAL A 67 -2.632 -3.469 4.295 1.00 1.00 H new ATOM 1025 N LYS A 68 -1.892 1.617 4.714 1.00 1.00 N ATOM 1026 CA LYS A 68 -2.271 3.042 4.824 1.00 1.00 C ATOM 1027 C LYS A 68 -1.996 3.767 3.496 1.00 1.00 C ATOM 1028 O LYS A 68 -0.863 3.856 3.023 1.00 1.00 O ATOM 1029 CB LYS A 68 -1.482 3.689 5.992 1.00 1.00 C ATOM 1030 CG LYS A 68 -2.273 4.860 6.618 1.00 1.00 C ATOM 1031 CD LYS A 68 -2.607 5.912 5.542 1.00 1.00 C ATOM 1032 CE LYS A 68 -3.023 7.230 6.206 1.00 1.00 C ATOM 1033 NZ LYS A 68 -1.846 7.807 6.912 1.00 1.00 N ATOM 0 H LYS A 68 -0.889 1.454 4.622 1.00 1.00 H new ATOM 0 HA LYS A 68 -3.337 3.127 5.033 1.00 1.00 H new ATOM 0 HB2 LYS A 68 -1.274 2.938 6.754 1.00 1.00 H new ATOM 0 HB3 LYS A 68 -0.520 4.049 5.629 1.00 1.00 H new ATOM 0 HG2 LYS A 68 -3.192 4.487 7.070 1.00 1.00 H new ATOM 0 HG3 LYS A 68 -1.688 5.318 7.416 1.00 1.00 H new ATOM 0 HD2 LYS A 68 -1.741 6.076 4.901 1.00 1.00 H new ATOM 0 HD3 LYS A 68 -3.412 5.548 4.903 1.00 1.00 H new ATOM 0 HE2 LYS A 68 -3.393 7.929 5.456 1.00 1.00 H new ATOM 0 HE3 LYS A 68 -3.837 7.057 6.910 1.00 1.00 H new ATOM 0 HZ1 LYS A 68 -2.034 7.836 7.934 1.00 1.00 H new ATOM 0 HZ2 LYS A 68 -1.009 7.217 6.731 1.00 1.00 H new ATOM 0 HZ3 LYS A 68 -1.671 8.772 6.565 1.00 1.00 H new ATOM 1047 N VAL A 69 -3.058 4.296 2.895 1.00 1.00 N ATOM 1048 CA VAL A 69 -2.946 5.019 1.612 1.00 1.00 C ATOM 1049 C VAL A 69 -3.569 6.406 1.705 1.00 1.00 C ATOM 1050 O VAL A 69 -4.524 6.632 2.448 1.00 1.00 O ATOM 1051 CB VAL A 69 -3.645 4.207 0.509 1.00 1.00 C ATOM 1052 CG1 VAL A 69 -2.932 2.861 0.341 1.00 1.00 C ATOM 1053 CG2 VAL A 69 -5.102 3.946 0.899 1.00 1.00 C ATOM 0 H VAL A 69 -4.007 4.243 3.266 1.00 1.00 H new ATOM 0 HA VAL A 69 -1.889 5.139 1.373 1.00 1.00 H new ATOM 0 HB VAL A 69 -3.610 4.770 -0.424 1.00 1.00 H new ATOM 0 HG11 VAL A 69 -3.425 2.283 -0.440 1.00 1.00 H new ATOM 0 HG12 VAL A 69 -1.892 3.032 0.064 1.00 1.00 H new ATOM 0 HG13 VAL A 69 -2.971 2.309 1.280 1.00 1.00 H new ATOM 0 HG21 VAL A 69 -5.591 3.370 0.113 1.00 1.00 H new ATOM 0 HG22 VAL A 69 -5.134 3.385 1.833 1.00 1.00 H new ATOM 0 HG23 VAL A 69 -5.620 4.896 1.029 1.00 1.00 H new ATOM 1063 N GLU A 70 -3.026 7.334 0.923 1.00 1.00 N ATOM 1064 CA GLU A 70 -3.524 8.710 0.914 1.00 1.00 C ATOM 1065 C GLU A 70 -4.869 8.790 0.150 1.00 1.00 C ATOM 1066 O GLU A 70 -4.913 8.363 -1.004 1.00 1.00 O ATOM 1067 CB GLU A 70 -2.486 9.624 0.245 1.00 1.00 C ATOM 1068 CG GLU A 70 -2.901 11.090 0.391 1.00 1.00 C ATOM 1069 CD GLU A 70 -1.877 11.992 -0.292 1.00 1.00 C ATOM 1070 OE1 GLU A 70 -0.709 11.895 0.047 1.00 1.00 O ATOM 1071 OE2 GLU A 70 -2.279 12.767 -1.142 1.00 1.00 O ATOM 0 H GLU A 70 -2.245 7.162 0.290 1.00 1.00 H new ATOM 0 HA GLU A 70 -3.688 9.037 1.941 1.00 1.00 H new ATOM 0 HB2 GLU A 70 -1.507 9.468 0.699 1.00 1.00 H new ATOM 0 HB3 GLU A 70 -2.392 9.368 -0.810 1.00 1.00 H new ATOM 0 HG2 GLU A 70 -3.885 11.244 -0.051 1.00 1.00 H new ATOM 0 HG3 GLU A 70 -2.981 11.351 1.446 1.00 1.00 H new ATOM 1078 N PRO A 71 -5.920 9.313 0.719 1.00 1.00 N ATOM 1079 CA PRO A 71 -7.236 9.407 0.005 1.00 1.00 C ATOM 1080 C PRO A 71 -7.256 10.535 -1.037 1.00 1.00 C ATOM 1081 O PRO A 71 -6.780 11.643 -0.787 1.00 1.00 O ATOM 1082 CB PRO A 71 -8.243 9.665 1.152 1.00 1.00 C ATOM 1083 CG PRO A 71 -7.455 10.429 2.172 1.00 1.00 C ATOM 1084 CD PRO A 71 -6.017 9.879 2.089 1.00 1.00 C ATOM 0 HA PRO A 71 -7.465 8.510 -0.571 1.00 1.00 H new ATOM 0 HB2 PRO A 71 -9.104 10.237 0.805 1.00 1.00 H new ATOM 0 HB3 PRO A 71 -8.626 8.731 1.563 1.00 1.00 H new ATOM 0 HG2 PRO A 71 -7.477 11.499 1.963 1.00 1.00 H new ATOM 0 HG3 PRO A 71 -7.870 10.291 3.171 1.00 1.00 H new ATOM 0 HD2 PRO A 71 -5.280 10.666 2.247 1.00 1.00 H new ATOM 0 HD3 PRO A 71 -5.838 9.117 2.848 1.00 1.00 H new ATOM 1092 N ILE A 72 -7.829 10.254 -2.203 1.00 1.00 N ATOM 1093 CA ILE A 72 -7.892 11.259 -3.277 1.00 1.00 C ATOM 1094 C ILE A 72 -9.045 12.273 -3.035 1.00 1.00 C ATOM 1095 O ILE A 72 -10.178 11.856 -2.798 1.00 1.00 O ATOM 1096 CB ILE A 72 -8.099 10.559 -4.641 1.00 1.00 C ATOM 1097 CG1 ILE A 72 -7.155 9.337 -4.766 1.00 1.00 C ATOM 1098 CG2 ILE A 72 -7.818 11.552 -5.783 1.00 1.00 C ATOM 1099 CD1 ILE A 72 -5.703 9.715 -4.433 1.00 1.00 C ATOM 0 H ILE A 72 -8.253 9.355 -2.434 1.00 1.00 H new ATOM 0 HA ILE A 72 -6.949 11.806 -3.281 1.00 1.00 H new ATOM 0 HB ILE A 72 -9.131 10.215 -4.707 1.00 1.00 H new ATOM 0 HG12 ILE A 72 -7.490 8.546 -4.095 1.00 1.00 H new ATOM 0 HG13 ILE A 72 -7.206 8.938 -5.779 1.00 1.00 H new ATOM 0 HG21 ILE A 72 -7.965 11.055 -6.742 1.00 1.00 H new ATOM 0 HG22 ILE A 72 -8.500 12.399 -5.705 1.00 1.00 H new ATOM 0 HG23 ILE A 72 -6.790 11.907 -5.712 1.00 1.00 H new ATOM 0 HD11 ILE A 72 -5.067 8.835 -4.530 1.00 1.00 H new ATOM 0 HD12 ILE A 72 -5.361 10.488 -5.121 1.00 1.00 H new ATOM 0 HD13 ILE A 72 -5.650 10.090 -3.411 1.00 1.00 H new ATOM 1111 N PRO A 73 -8.794 13.554 -3.080 1.00 1.00 N ATOM 1112 CA PRO A 73 -9.872 14.574 -2.846 1.00 1.00 C ATOM 1113 C PRO A 73 -10.891 14.636 -3.991 1.00 1.00 C ATOM 1114 O PRO A 73 -10.586 14.331 -5.144 1.00 1.00 O ATOM 1115 CB PRO A 73 -9.093 15.904 -2.687 1.00 1.00 C ATOM 1116 CG PRO A 73 -7.836 15.706 -3.482 1.00 1.00 C ATOM 1117 CD PRO A 73 -7.492 14.213 -3.359 1.00 1.00 C ATOM 0 HA PRO A 73 -10.479 14.334 -1.973 1.00 1.00 H new ATOM 0 HB2 PRO A 73 -9.670 16.749 -3.063 1.00 1.00 H new ATOM 0 HB3 PRO A 73 -8.871 16.110 -1.640 1.00 1.00 H new ATOM 0 HG2 PRO A 73 -7.984 15.988 -4.524 1.00 1.00 H new ATOM 0 HG3 PRO A 73 -7.027 16.326 -3.096 1.00 1.00 H new ATOM 0 HD2 PRO A 73 -7.043 13.832 -4.276 1.00 1.00 H new ATOM 0 HD3 PRO A 73 -6.777 14.035 -2.556 1.00 1.00 H new ATOM 1125 N ASN A 74 -12.114 15.045 -3.670 1.00 1.00 N ATOM 1126 CA ASN A 74 -13.203 15.173 -4.646 1.00 1.00 C ATOM 1127 C ASN A 74 -13.603 13.815 -5.210 1.00 1.00 C ATOM 1128 O ASN A 74 -14.518 13.710 -6.027 1.00 1.00 O ATOM 1129 CB ASN A 74 -12.800 16.119 -5.791 1.00 1.00 C ATOM 1130 CG ASN A 74 -14.016 16.456 -6.652 1.00 1.00 C ATOM 1131 OD1 ASN A 74 -15.151 16.390 -6.180 1.00 1.00 O ATOM 1132 ND2 ASN A 74 -13.841 16.815 -7.891 1.00 1.00 N ATOM 0 H ASN A 74 -12.385 15.300 -2.720 1.00 1.00 H new ATOM 0 HA ASN A 74 -14.063 15.595 -4.125 1.00 1.00 H new ATOM 0 HB2 ASN A 74 -12.370 17.034 -5.382 1.00 1.00 H new ATOM 0 HB3 ASN A 74 -12.030 15.651 -6.404 1.00 1.00 H new ATOM 0 HD21 ASN A 74 -14.646 17.043 -8.475 1.00 1.00 H new ATOM 0 HD22 ASN A 74 -12.899 16.868 -8.278 1.00 1.00 H new ATOM 1139 N ILE A 75 -12.923 12.759 -4.779 1.00 1.00 N ATOM 1140 CA ILE A 75 -13.219 11.392 -5.245 1.00 1.00 C ATOM 1141 C ILE A 75 -13.280 10.431 -4.057 1.00 1.00 C ATOM 1142 O ILE A 75 -12.689 10.668 -3.004 1.00 1.00 O ATOM 1143 CB ILE A 75 -12.144 10.922 -6.245 1.00 1.00 C ATOM 1144 CG1 ILE A 75 -12.075 11.926 -7.416 1.00 1.00 C ATOM 1145 CG2 ILE A 75 -12.503 9.520 -6.774 1.00 1.00 C ATOM 1146 CD1 ILE A 75 -10.955 11.543 -8.387 1.00 1.00 C ATOM 0 H ILE A 75 -12.159 12.814 -4.105 1.00 1.00 H new ATOM 0 HA ILE A 75 -14.187 11.399 -5.746 1.00 1.00 H new ATOM 0 HB ILE A 75 -11.175 10.872 -5.749 1.00 1.00 H new ATOM 0 HG12 ILE A 75 -13.029 11.946 -7.942 1.00 1.00 H new ATOM 0 HG13 ILE A 75 -11.902 12.931 -7.031 1.00 1.00 H new ATOM 0 HG21 ILE A 75 -11.741 9.191 -7.480 1.00 1.00 H new ATOM 0 HG22 ILE A 75 -12.552 8.819 -5.941 1.00 1.00 H new ATOM 0 HG23 ILE A 75 -13.470 9.557 -7.275 1.00 1.00 H new ATOM 0 HD11 ILE A 75 -10.922 12.262 -9.206 1.00 1.00 H new ATOM 0 HD12 ILE A 75 -10.000 11.547 -7.861 1.00 1.00 H new ATOM 0 HD13 ILE A 75 -11.145 10.547 -8.786 1.00 1.00 H new ATOM 1158 N LYS A 76 -14.006 9.333 -4.238 1.00 1.00 N ATOM 1159 CA LYS A 76 -14.170 8.317 -3.181 1.00 1.00 C ATOM 1160 C LYS A 76 -13.388 7.050 -3.507 1.00 1.00 C ATOM 1161 O LYS A 76 -13.182 6.684 -4.665 1.00 1.00 O ATOM 1162 CB LYS A 76 -15.655 7.971 -3.022 1.00 1.00 C ATOM 1163 CG LYS A 76 -16.419 9.194 -2.512 1.00 1.00 C ATOM 1164 CD LYS A 76 -17.903 8.844 -2.394 1.00 1.00 C ATOM 1165 CE LYS A 76 -18.687 10.073 -1.921 1.00 1.00 C ATOM 1166 NZ LYS A 76 -18.297 10.408 -0.520 1.00 1.00 N ATOM 0 H LYS A 76 -14.495 9.115 -5.106 1.00 1.00 H new ATOM 0 HA LYS A 76 -13.782 8.732 -2.250 1.00 1.00 H new ATOM 0 HB2 LYS A 76 -16.067 7.646 -3.977 1.00 1.00 H new ATOM 0 HB3 LYS A 76 -15.772 7.141 -2.325 1.00 1.00 H new ATOM 0 HG2 LYS A 76 -16.028 9.505 -1.543 1.00 1.00 H new ATOM 0 HG3 LYS A 76 -16.284 10.033 -3.194 1.00 1.00 H new ATOM 0 HD2 LYS A 76 -18.285 8.506 -3.357 1.00 1.00 H new ATOM 0 HD3 LYS A 76 -18.038 8.022 -1.691 1.00 1.00 H new ATOM 0 HE2 LYS A 76 -18.486 10.920 -2.577 1.00 1.00 H new ATOM 0 HE3 LYS A 76 -19.758 9.876 -1.974 1.00 1.00 H new ATOM 0 HZ1 LYS A 76 -19.002 11.052 -0.108 1.00 1.00 H new ATOM 0 HZ2 LYS A 76 -18.252 9.536 0.046 1.00 1.00 H new ATOM 0 HZ3 LYS A 76 -17.365 10.870 -0.520 1.00 1.00 H new ATOM 1180 N ILE A 77 -12.942 6.362 -2.461 1.00 1.00 N ATOM 1181 CA ILE A 77 -12.178 5.116 -2.612 1.00 1.00 C ATOM 1182 C ILE A 77 -13.091 3.912 -2.382 1.00 1.00 C ATOM 1183 O ILE A 77 -13.393 3.552 -1.245 1.00 1.00 O ATOM 1184 CB ILE A 77 -11.014 5.104 -1.599 1.00 1.00 C ATOM 1185 CG1 ILE A 77 -10.164 3.834 -1.805 1.00 1.00 C ATOM 1186 CG2 ILE A 77 -11.538 5.174 -0.134 1.00 1.00 C ATOM 1187 CD1 ILE A 77 -8.892 3.919 -0.957 1.00 1.00 C ATOM 0 H ILE A 77 -13.094 6.643 -1.492 1.00 1.00 H new ATOM 0 HA ILE A 77 -11.775 5.058 -3.623 1.00 1.00 H new ATOM 0 HB ILE A 77 -10.397 5.986 -1.771 1.00 1.00 H new ATOM 0 HG12 ILE A 77 -10.739 2.951 -1.527 1.00 1.00 H new ATOM 0 HG13 ILE A 77 -9.904 3.726 -2.858 1.00 1.00 H new ATOM 0 HG21 ILE A 77 -10.694 5.164 0.555 1.00 1.00 H new ATOM 0 HG22 ILE A 77 -12.109 6.092 0.005 1.00 1.00 H new ATOM 0 HG23 ILE A 77 -12.179 4.315 0.065 1.00 1.00 H new ATOM 0 HD11 ILE A 77 -8.295 3.019 -1.106 1.00 1.00 H new ATOM 0 HD12 ILE A 77 -8.313 4.793 -1.256 1.00 1.00 H new ATOM 0 HD13 ILE A 77 -9.162 4.005 0.096 1.00 1.00 H new ATOM 1199 N VAL A 78 -13.524 3.273 -3.464 1.00 1.00 N ATOM 1200 CA VAL A 78 -14.406 2.108 -3.374 1.00 1.00 C ATOM 1201 C VAL A 78 -13.902 1.133 -2.316 1.00 1.00 C ATOM 1202 O VAL A 78 -14.615 0.815 -1.364 1.00 1.00 O ATOM 1203 CB VAL A 78 -14.485 1.414 -4.748 1.00 1.00 C ATOM 1204 CG1 VAL A 78 -15.353 0.145 -4.675 1.00 1.00 C ATOM 1205 CG2 VAL A 78 -15.092 2.392 -5.759 1.00 1.00 C ATOM 0 H VAL A 78 -13.279 3.541 -4.417 1.00 1.00 H new ATOM 0 HA VAL A 78 -15.402 2.440 -3.082 1.00 1.00 H new ATOM 0 HB VAL A 78 -13.481 1.122 -5.056 1.00 1.00 H new ATOM 0 HG11 VAL A 78 -15.393 -0.326 -5.657 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -14.920 -0.551 -3.956 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -16.362 0.412 -4.360 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -15.154 1.913 -6.736 1.00 1.00 H new ATOM 0 HG22 VAL A 78 -16.091 2.680 -5.432 1.00 1.00 H new ATOM 0 HG23 VAL A 78 -14.463 3.280 -5.829 1.00 1.00 H new ATOM 1215 N GLU A 79 -12.673 0.647 -2.458 1.00 1.00 N ATOM 1216 CA GLU A 79 -12.105 -0.284 -1.486 1.00 1.00 C ATOM 1217 C GLU A 79 -10.648 -0.600 -1.828 1.00 1.00 C ATOM 1218 O GLU A 79 -10.275 -0.752 -2.992 1.00 1.00 O ATOM 1219 CB GLU A 79 -12.903 -1.604 -1.458 1.00 1.00 C ATOM 1220 CG GLU A 79 -12.448 -2.485 -0.277 1.00 1.00 C ATOM 1221 CD GLU A 79 -12.842 -1.854 1.059 1.00 1.00 C ATOM 1222 OE1 GLU A 79 -13.608 -0.901 1.051 1.00 1.00 O ATOM 1223 OE2 GLU A 79 -12.378 -2.342 2.076 1.00 1.00 O ATOM 0 H GLU A 79 -12.052 0.880 -3.233 1.00 1.00 H new ATOM 0 HA GLU A 79 -12.157 0.193 -0.508 1.00 1.00 H new ATOM 0 HB2 GLU A 79 -13.968 -1.390 -1.371 1.00 1.00 H new ATOM 0 HB3 GLU A 79 -12.762 -2.141 -2.396 1.00 1.00 H new ATOM 0 HG2 GLU A 79 -12.897 -3.475 -0.363 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -11.367 -2.621 -0.315 1.00 1.00 H new ATOM 1230 N ILE A 80 -9.819 -0.715 -0.794 1.00 1.00 N ATOM 1231 CA ILE A 80 -8.394 -1.041 -0.964 1.00 1.00 C ATOM 1232 C ILE A 80 -8.154 -2.501 -0.584 1.00 1.00 C ATOM 1233 O ILE A 80 -8.688 -3.002 0.404 1.00 1.00 O ATOM 1234 CB ILE A 80 -7.533 -0.114 -0.078 1.00 1.00 C ATOM 1235 CG1 ILE A 80 -6.020 -0.386 -0.303 1.00 1.00 C ATOM 1236 CG2 ILE A 80 -7.874 -0.341 1.401 1.00 1.00 C ATOM 1237 CD1 ILE A 80 -5.595 -0.058 -1.748 1.00 1.00 C ATOM 0 H ILE A 80 -10.105 -0.588 0.177 1.00 1.00 H new ATOM 0 HA ILE A 80 -8.112 -0.892 -2.006 1.00 1.00 H new ATOM 0 HB ILE A 80 -7.750 0.918 -0.352 1.00 1.00 H new ATOM 0 HG12 ILE A 80 -5.434 0.213 0.394 1.00 1.00 H new ATOM 0 HG13 ILE A 80 -5.801 -1.432 -0.087 1.00 1.00 H new ATOM 0 HG21 ILE A 80 -7.263 0.316 2.020 1.00 1.00 H new ATOM 0 HG22 ILE A 80 -8.928 -0.121 1.569 1.00 1.00 H new ATOM 0 HG23 ILE A 80 -7.673 -1.379 1.666 1.00 1.00 H new ATOM 0 HD11 ILE A 80 -4.531 -0.260 -1.869 1.00 1.00 H new ATOM 0 HD12 ILE A 80 -6.163 -0.676 -2.443 1.00 1.00 H new ATOM 0 HD13 ILE A 80 -5.790 0.994 -1.955 1.00 1.00 H new ATOM 1249 N SER A 81 -7.329 -3.193 -1.362 1.00 1.00 N ATOM 1250 CA SER A 81 -7.039 -4.614 -1.064 1.00 1.00 C ATOM 1251 C SER A 81 -5.599 -5.015 -1.462 1.00 1.00 C ATOM 1252 O SER A 81 -5.175 -4.664 -2.563 1.00 1.00 O ATOM 1253 CB SER A 81 -8.027 -5.506 -1.809 1.00 1.00 C ATOM 1254 OG SER A 81 -9.352 -5.158 -1.424 1.00 1.00 O ATOM 0 H SER A 81 -6.855 -2.818 -2.184 1.00 1.00 H new ATOM 0 HA SER A 81 -7.138 -4.746 0.013 1.00 1.00 H new ATOM 0 HB2 SER A 81 -7.904 -5.385 -2.885 1.00 1.00 H new ATOM 0 HB3 SER A 81 -7.833 -6.554 -1.581 1.00 1.00 H new ATOM 0 HG SER A 81 -9.991 -5.727 -1.901 1.00 1.00 H new ATOM 1260 N PRO A 82 -4.866 -5.722 -0.645 1.00 1.00 N ATOM 1261 CA PRO A 82 -5.282 -6.207 0.715 1.00 1.00 C ATOM 1262 C PRO A 82 -5.378 -5.054 1.724 1.00 1.00 C ATOM 1263 O PRO A 82 -5.236 -3.880 1.385 1.00 1.00 O ATOM 1264 CB PRO A 82 -4.193 -7.236 1.106 1.00 1.00 C ATOM 1265 CG PRO A 82 -2.972 -6.819 0.341 1.00 1.00 C ATOM 1266 CD PRO A 82 -3.487 -6.158 -0.957 1.00 1.00 C ATOM 0 HA PRO A 82 -6.277 -6.651 0.710 1.00 1.00 H new ATOM 0 HB2 PRO A 82 -4.008 -7.226 2.180 1.00 1.00 H new ATOM 0 HB3 PRO A 82 -4.496 -8.250 0.844 1.00 1.00 H new ATOM 0 HG2 PRO A 82 -2.368 -6.121 0.921 1.00 1.00 H new ATOM 0 HG3 PRO A 82 -2.340 -7.678 0.117 1.00 1.00 H new ATOM 0 HD2 PRO A 82 -2.862 -5.313 -1.244 1.00 1.00 H new ATOM 0 HD3 PRO A 82 -3.475 -6.861 -1.790 1.00 1.00 H new ATOM 1274 N ARG A 83 -5.629 -5.396 2.984 1.00 1.00 N ATOM 1275 CA ARG A 83 -5.754 -4.391 4.054 1.00 1.00 C ATOM 1276 C ARG A 83 -4.722 -4.670 5.126 1.00 1.00 C ATOM 1277 O ARG A 83 -4.393 -3.817 5.951 1.00 1.00 O ATOM 1278 CB ARG A 83 -7.165 -4.444 4.653 1.00 1.00 C ATOM 1279 CG ARG A 83 -8.198 -4.073 3.578 1.00 1.00 C ATOM 1280 CD ARG A 83 -9.609 -4.205 4.159 1.00 1.00 C ATOM 1281 NE ARG A 83 -9.889 -5.605 4.449 1.00 1.00 N ATOM 1282 CZ ARG A 83 -11.019 -5.985 5.037 1.00 1.00 C ATOM 1283 NH1 ARG A 83 -11.919 -5.100 5.372 1.00 1.00 N ATOM 1284 NH2 ARG A 83 -11.224 -7.250 5.274 1.00 1.00 N ATOM 0 H ARG A 83 -5.751 -6.359 3.297 1.00 1.00 H new ATOM 0 HA ARG A 83 -5.585 -3.396 3.643 1.00 1.00 H new ATOM 0 HB2 ARG A 83 -7.370 -5.443 5.038 1.00 1.00 H new ATOM 0 HB3 ARG A 83 -7.239 -3.756 5.495 1.00 1.00 H new ATOM 0 HG2 ARG A 83 -8.029 -3.053 3.233 1.00 1.00 H new ATOM 0 HG3 ARG A 83 -8.087 -4.725 2.712 1.00 1.00 H new ATOM 0 HD2 ARG A 83 -9.696 -3.610 5.068 1.00 1.00 H new ATOM 0 HD3 ARG A 83 -10.342 -3.816 3.452 1.00 1.00 H new ATOM 0 HE ARG A 83 -9.200 -6.312 4.194 1.00 1.00 H new ATOM 0 HH11 ARG A 83 -11.757 -4.111 5.183 1.00 1.00 H new ATOM 0 HH12 ARG A 83 -12.784 -5.398 5.823 1.00 1.00 H new ATOM 0 HH21 ARG A 83 -10.520 -7.939 5.009 1.00 1.00 H new ATOM 0 HH22 ARG A 83 -12.088 -7.551 5.725 1.00 1.00 H new ATOM 1298 N VAL A 84 -4.199 -5.891 5.124 1.00 1.00 N ATOM 1299 CA VAL A 84 -3.185 -6.326 6.080 1.00 1.00 C ATOM 1300 C VAL A 84 -2.135 -7.157 5.348 1.00 1.00 C ATOM 1301 O VAL A 84 -2.459 -8.008 4.517 1.00 1.00 O ATOM 1302 CB VAL A 84 -3.848 -7.166 7.177 1.00 1.00 C ATOM 1303 CG1 VAL A 84 -2.800 -7.614 8.199 1.00 1.00 C ATOM 1304 CG2 VAL A 84 -4.918 -6.324 7.882 1.00 1.00 C ATOM 0 H VAL A 84 -4.468 -6.612 4.455 1.00 1.00 H new ATOM 0 HA VAL A 84 -2.706 -5.460 6.536 1.00 1.00 H new ATOM 0 HB VAL A 84 -4.307 -8.046 6.727 1.00 1.00 H new ATOM 0 HG11 VAL A 84 -3.280 -8.210 8.975 1.00 1.00 H new ATOM 0 HG12 VAL A 84 -2.038 -8.213 7.700 1.00 1.00 H new ATOM 0 HG13 VAL A 84 -2.334 -6.738 8.651 1.00 1.00 H new ATOM 0 HG21 VAL A 84 -5.392 -6.918 8.663 1.00 1.00 H new ATOM 0 HG22 VAL A 84 -4.454 -5.444 8.327 1.00 1.00 H new ATOM 0 HG23 VAL A 84 -5.670 -6.011 7.158 1.00 1.00 H new ATOM 1314 N VAL A 85 -0.866 -6.919 5.659 1.00 1.00 N ATOM 1315 CA VAL A 85 0.240 -7.658 5.009 1.00 1.00 C ATOM 1316 C VAL A 85 1.304 -8.072 6.019 1.00 1.00 C ATOM 1317 O VAL A 85 1.255 -7.714 7.195 1.00 1.00 O ATOM 1318 CB VAL A 85 0.870 -6.801 3.901 1.00 1.00 C ATOM 1319 CG1 VAL A 85 -0.182 -6.501 2.828 1.00 1.00 C ATOM 1320 CG2 VAL A 85 1.386 -5.481 4.483 1.00 1.00 C ATOM 0 H VAL A 85 -0.567 -6.230 6.349 1.00 1.00 H new ATOM 0 HA VAL A 85 -0.177 -8.565 4.570 1.00 1.00 H new ATOM 0 HB VAL A 85 1.703 -7.349 3.461 1.00 1.00 H new ATOM 0 HG11 VAL A 85 0.264 -5.893 2.041 1.00 1.00 H new ATOM 0 HG12 VAL A 85 -0.544 -7.437 2.402 1.00 1.00 H new ATOM 0 HG13 VAL A 85 -1.015 -5.960 3.277 1.00 1.00 H new ATOM 0 HG21 VAL A 85 1.830 -4.882 3.688 1.00 1.00 H new ATOM 0 HG22 VAL A 85 0.557 -4.932 4.931 1.00 1.00 H new ATOM 0 HG23 VAL A 85 2.138 -5.688 5.245 1.00 1.00 H new ATOM 1330 N THR A 86 2.279 -8.836 5.532 1.00 1.00 N ATOM 1331 CA THR A 86 3.381 -9.329 6.381 1.00 1.00 C ATOM 1332 C THR A 86 4.724 -9.110 5.692 1.00 1.00 C ATOM 1333 O THR A 86 4.910 -9.505 4.542 1.00 1.00 O ATOM 1334 CB THR A 86 3.173 -10.832 6.681 1.00 1.00 C ATOM 1335 OG1 THR A 86 3.967 -11.204 7.795 1.00 1.00 O ATOM 1336 CG2 THR A 86 3.573 -11.704 5.476 1.00 1.00 C ATOM 0 H THR A 86 2.336 -9.131 4.557 1.00 1.00 H new ATOM 0 HA THR A 86 3.382 -8.773 7.318 1.00 1.00 H new ATOM 0 HB THR A 86 2.115 -10.991 6.892 1.00 1.00 H new ATOM 0 HG1 THR A 86 3.761 -10.619 8.554 1.00 1.00 H new ATOM 0 HG21 THR A 86 3.415 -12.755 5.719 1.00 1.00 H new ATOM 0 HG22 THR A 86 2.963 -11.435 4.614 1.00 1.00 H new ATOM 0 HG23 THR A 86 4.625 -11.540 5.241 1.00 1.00 H new ATOM 1344 N LEU A 87 5.662 -8.487 6.398 1.00 1.00 N ATOM 1345 CA LEU A 87 7.003 -8.224 5.838 1.00 1.00 C ATOM 1346 C LEU A 87 8.084 -8.674 6.822 1.00 1.00 C ATOM 1347 O LEU A 87 8.148 -8.196 7.954 1.00 1.00 O ATOM 1348 CB LEU A 87 7.161 -6.721 5.548 1.00 1.00 C ATOM 1349 CG LEU A 87 6.040 -6.222 4.602 1.00 1.00 C ATOM 1350 CD1 LEU A 87 6.081 -4.688 4.538 1.00 1.00 C ATOM 1351 CD2 LEU A 87 6.223 -6.786 3.176 1.00 1.00 C ATOM 0 H LEU A 87 5.530 -8.153 7.353 1.00 1.00 H new ATOM 0 HA LEU A 87 7.113 -8.785 4.910 1.00 1.00 H new ATOM 0 HB2 LEU A 87 7.131 -6.161 6.482 1.00 1.00 H new ATOM 0 HB3 LEU A 87 8.135 -6.534 5.096 1.00 1.00 H new ATOM 0 HG LEU A 87 5.082 -6.565 4.993 1.00 1.00 H new ATOM 0 HD11 LEU A 87 5.294 -4.330 3.874 1.00 1.00 H new ATOM 0 HD12 LEU A 87 5.927 -4.278 5.536 1.00 1.00 H new ATOM 0 HD13 LEU A 87 7.051 -4.365 4.159 1.00 1.00 H new ATOM 0 HD21 LEU A 87 5.422 -6.419 2.534 1.00 1.00 H new ATOM 0 HD22 LEU A 87 7.185 -6.462 2.777 1.00 1.00 H new ATOM 0 HD23 LEU A 87 6.192 -7.875 3.209 1.00 1.00 H new ATOM 1363 N GLN A 88 8.934 -9.592 6.376 1.00 1.00 N ATOM 1364 CA GLN A 88 10.016 -10.113 7.217 1.00 1.00 C ATOM 1365 C GLN A 88 11.241 -9.214 7.118 1.00 1.00 C ATOM 1366 O GLN A 88 11.892 -9.125 6.079 1.00 1.00 O ATOM 1367 CB GLN A 88 10.383 -11.532 6.766 1.00 1.00 C ATOM 1368 CG GLN A 88 9.155 -12.436 6.907 1.00 1.00 C ATOM 1369 CD GLN A 88 9.513 -13.876 6.562 1.00 1.00 C ATOM 1370 OE1 GLN A 88 10.563 -14.372 6.969 1.00 1.00 O ATOM 1371 NE2 GLN A 88 8.685 -14.585 5.845 1.00 1.00 N ATOM 0 H GLN A 88 8.899 -9.993 5.439 1.00 1.00 H new ATOM 0 HA GLN A 88 9.677 -10.136 8.253 1.00 1.00 H new ATOM 0 HB2 GLN A 88 10.725 -11.521 5.731 1.00 1.00 H new ATOM 0 HB3 GLN A 88 11.205 -11.917 7.369 1.00 1.00 H new ATOM 0 HG2 GLN A 88 8.772 -12.384 7.926 1.00 1.00 H new ATOM 0 HG3 GLN A 88 8.360 -12.085 6.250 1.00 1.00 H new ATOM 0 HE21 GLN A 88 7.816 -14.170 5.510 1.00 1.00 H new ATOM 0 HE22 GLN A 88 8.907 -15.555 5.620 1.00 1.00 H new ATOM 1380 N LEU A 89 11.552 -8.540 8.222 1.00 1.00 N ATOM 1381 CA LEU A 89 12.701 -7.638 8.274 1.00 1.00 C ATOM 1382 C LEU A 89 13.980 -8.433 8.493 1.00 1.00 C ATOM 1383 O LEU A 89 13.943 -9.609 8.852 1.00 1.00 O ATOM 1384 CB LEU A 89 12.508 -6.620 9.415 1.00 1.00 C ATOM 1385 CG LEU A 89 11.351 -5.636 9.093 1.00 1.00 C ATOM 1386 CD1 LEU A 89 10.924 -4.915 10.377 1.00 1.00 C ATOM 1387 CD2 LEU A 89 11.802 -4.569 8.079 1.00 1.00 C ATOM 0 H LEU A 89 11.025 -8.601 9.093 1.00 1.00 H new ATOM 0 HA LEU A 89 12.780 -7.104 7.327 1.00 1.00 H new ATOM 0 HB2 LEU A 89 12.294 -7.147 10.345 1.00 1.00 H new ATOM 0 HB3 LEU A 89 13.432 -6.063 9.570 1.00 1.00 H new ATOM 0 HG LEU A 89 10.526 -6.211 8.673 1.00 1.00 H new ATOM 0 HD11 LEU A 89 10.112 -4.224 10.153 1.00 1.00 H new ATOM 0 HD12 LEU A 89 10.586 -5.647 11.110 1.00 1.00 H new ATOM 0 HD13 LEU A 89 11.771 -4.361 10.782 1.00 1.00 H new ATOM 0 HD21 LEU A 89 10.973 -3.892 7.870 1.00 1.00 H new ATOM 0 HD22 LEU A 89 12.637 -4.004 8.493 1.00 1.00 H new ATOM 0 HD23 LEU A 89 12.115 -5.055 7.155 1.00 1.00 H new ATOM 1399 N GLU A 90 15.119 -7.787 8.273 1.00 1.00 N ATOM 1400 CA GLU A 90 16.417 -8.454 8.454 1.00 1.00 C ATOM 1401 C GLU A 90 17.431 -7.511 9.099 1.00 1.00 C ATOM 1402 O GLU A 90 17.631 -6.376 8.666 1.00 1.00 O ATOM 1403 CB GLU A 90 16.941 -8.947 7.096 1.00 1.00 C ATOM 1404 CG GLU A 90 18.145 -9.889 7.291 1.00 1.00 C ATOM 1405 CD GLU A 90 17.698 -11.213 7.919 1.00 1.00 C ATOM 1406 OE1 GLU A 90 16.500 -11.442 7.991 1.00 1.00 O ATOM 1407 OE2 GLU A 90 18.560 -11.971 8.327 1.00 1.00 O ATOM 0 H GLU A 90 15.178 -6.814 7.973 1.00 1.00 H new ATOM 0 HA GLU A 90 16.278 -9.307 9.119 1.00 1.00 H new ATOM 0 HB2 GLU A 90 16.147 -9.468 6.561 1.00 1.00 H new ATOM 0 HB3 GLU A 90 17.234 -8.095 6.482 1.00 1.00 H new ATOM 0 HG2 GLU A 90 18.624 -10.079 6.331 1.00 1.00 H new ATOM 0 HG3 GLU A 90 18.888 -9.411 7.929 1.00 1.00 H new ATOM 1414 N HIS A 91 18.082 -8.010 10.146 1.00 1.00 N ATOM 1415 CA HIS A 91 19.082 -7.228 10.866 1.00 1.00 C ATOM 1416 C HIS A 91 20.385 -7.164 10.072 1.00 1.00 C ATOM 1417 O HIS A 91 20.907 -8.190 9.633 1.00 1.00 O ATOM 1418 CB HIS A 91 19.336 -7.864 12.233 1.00 1.00 C ATOM 1419 CG HIS A 91 20.283 -7.006 13.026 1.00 1.00 C ATOM 1420 ND1 HIS A 91 21.651 -7.027 12.809 1.00 1.00 N ATOM 1421 CD2 HIS A 91 20.075 -6.098 14.034 1.00 1.00 C ATOM 1422 CE1 HIS A 91 22.211 -6.155 13.668 1.00 1.00 C ATOM 1423 NE2 HIS A 91 21.293 -5.562 14.438 1.00 1.00 N ATOM 0 H HIS A 91 17.935 -8.950 10.514 1.00 1.00 H new ATOM 0 HA HIS A 91 18.709 -6.212 10.999 1.00 1.00 H new ATOM 0 HB2 HIS A 91 18.395 -7.977 12.772 1.00 1.00 H new ATOM 0 HB3 HIS A 91 19.754 -8.863 12.108 1.00 1.00 H new ATOM 0 HD1 HIS A 91 22.144 -7.599 12.123 1.00 1.00 H new ATOM 0 HD2 HIS A 91 19.112 -5.839 14.450 1.00 1.00 H new ATOM 0 HE1 HIS A 91 23.271 -5.959 13.728 1.00 1.00 H new ATOM 1432 N HIS A 92 20.910 -5.957 9.891 1.00 1.00 N ATOM 1433 CA HIS A 92 22.149 -5.754 9.144 1.00 1.00 C ATOM 1434 C HIS A 92 23.365 -6.225 9.951 1.00 1.00 C ATOM 1435 O HIS A 92 23.450 -7.384 10.359 1.00 1.00 O ATOM 1436 CB HIS A 92 22.289 -4.262 8.789 1.00 1.00 C ATOM 1437 CG HIS A 92 23.458 -4.058 7.857 1.00 1.00 C ATOM 1438 ND1 HIS A 92 24.425 -3.091 8.083 1.00 1.00 N ATOM 1439 CD2 HIS A 92 23.822 -4.687 6.692 1.00 1.00 C ATOM 1440 CE1 HIS A 92 25.316 -3.165 7.075 1.00 1.00 C ATOM 1441 NE2 HIS A 92 24.994 -4.122 6.199 1.00 1.00 N ATOM 0 H HIS A 92 20.495 -5.099 10.253 1.00 1.00 H new ATOM 0 HA HIS A 92 22.108 -6.346 8.230 1.00 1.00 H new ATOM 0 HB2 HIS A 92 21.373 -3.905 8.319 1.00 1.00 H new ATOM 0 HB3 HIS A 92 22.431 -3.676 9.697 1.00 1.00 H new ATOM 0 HD2 HIS A 92 23.280 -5.498 6.228 1.00 1.00 H new ATOM 0 HE1 HIS A 92 26.184 -2.529 6.986 1.00 1.00 H new ATOM 0 HE2 HIS A 92 25.499 -4.382 5.352 1.00 1.00 H new