USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 649 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 SER OG : rot -164:sc= 1.24 USER MOD Set 1.2: A 76 ASN : amide:sc= -0.0339 K(o=1.2,f=-0.092!) USER MOD Single : A 14 SER OG : rot -48:sc= 1.29 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.0953 K(o=-0.095,f=-1.1) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.172 USER MOD Single : A 31 GLN : amide:sc= -0.0992 X(o=-0.099,f=-0.16) USER MOD Single : A 33 LYS NZ :NH3+ 163:sc= 1.22 (180deg=1.16) USER MOD Single : A 37 SER OG : rot -94:sc= 0.576 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot -93:sc= 1.07 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot 144:sc= -0.557 USER MOD Single : A 64 TYR OH : rot -125:sc= 0.254 USER MOD Single : A 65 GLN : amide:sc= -0.0589 X(o=-0.059,f=-0.062) USER MOD Single : A 67 GLN : amide:sc= 0.298 K(o=0.3,f=-0.55) USER MOD Single : A 69 THR OG1 : rot -5:sc= 0.721 USER MOD Single : A 74 MET CE :methyl -156:sc= -0.102 (180deg=-1.03) USER MOD Single : A 78 ASN : amide:sc= -0.178 K(o=-0.18,f=-4.4!) USER MOD Single : A 83 SER OG : rot -163:sc= 1.22 USER MOD Single : A 91 ASN : amide:sc= 0.228 K(o=0.23,f=-0.4) USER MOD ----------------------------------------------------------------- ATOM 120 N PRO A 9 11.674 4.051 -8.714 1.00 0.00 N ATOM 121 CA PRO A 9 10.699 5.125 -8.858 1.00 0.00 C ATOM 122 C PRO A 9 9.437 4.633 -9.556 1.00 0.00 C ATOM 123 O PRO A 9 8.383 5.263 -9.469 1.00 0.00 O ATOM 124 CB PRO A 9 11.447 6.159 -9.705 1.00 0.00 C ATOM 125 CG PRO A 9 12.400 5.347 -10.515 1.00 0.00 C ATOM 126 CD PRO A 9 12.858 4.262 -9.577 1.00 0.00 C ATOM 0 HA PRO A 9 10.355 5.527 -7.905 1.00 0.00 H new ATOM 0 HB2 PRO A 9 10.764 6.723 -10.340 1.00 0.00 H new ATOM 0 HB3 PRO A 9 11.971 6.882 -9.080 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.916 4.930 -11.398 1.00 0.00 H new ATOM 0 HG3 PRO A 9 13.238 5.950 -10.865 1.00 0.00 H new ATOM 0 HD2 PRO A 9 13.134 3.354 -10.113 1.00 0.00 H new ATOM 0 HD3 PRO A 9 13.730 4.569 -8.999 1.00 0.00 H new ATOM 134 N ALA A 10 9.551 3.504 -10.247 1.00 0.00 N ATOM 135 CA ALA A 10 8.403 2.888 -10.901 1.00 0.00 C ATOM 136 C ALA A 10 7.388 2.391 -9.880 1.00 0.00 C ATOM 137 O ALA A 10 6.180 2.466 -10.104 1.00 0.00 O ATOM 138 CB ALA A 10 8.856 1.744 -11.797 1.00 0.00 C ATOM 0 H ALA A 10 10.428 2.997 -10.369 1.00 0.00 H new ATOM 0 HA ALA A 10 7.918 3.647 -11.515 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.988 1.294 -12.279 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.536 2.126 -12.558 1.00 0.00 H new ATOM 0 HB3 ALA A 10 9.368 0.992 -11.196 1.00 0.00 H new ATOM 144 N VAL A 11 7.886 1.883 -8.758 1.00 0.00 N ATOM 145 CA VAL A 11 7.024 1.465 -7.658 1.00 0.00 C ATOM 146 C VAL A 11 6.301 2.656 -7.042 1.00 0.00 C ATOM 147 O VAL A 11 5.083 2.630 -6.864 1.00 0.00 O ATOM 148 CB VAL A 11 7.852 0.752 -6.572 1.00 0.00 C ATOM 149 CG1 VAL A 11 6.999 0.490 -5.340 1.00 0.00 C ATOM 150 CG2 VAL A 11 8.419 -0.547 -7.123 1.00 0.00 C ATOM 0 H VAL A 11 8.883 1.751 -8.586 1.00 0.00 H new ATOM 0 HA VAL A 11 6.281 0.777 -8.062 1.00 0.00 H new ATOM 0 HB VAL A 11 8.681 1.396 -6.278 1.00 0.00 H new ATOM 0 HG11 VAL A 11 7.599 -0.014 -4.583 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.634 1.437 -4.942 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.152 -0.141 -5.611 1.00 0.00 H new ATOM 0 HG21 VAL A 11 9.003 -1.046 -6.350 1.00 0.00 H new ATOM 0 HG22 VAL A 11 7.602 -1.197 -7.436 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.059 -0.331 -7.979 1.00 0.00 H new ATOM 160 N ASP A 12 7.058 3.698 -6.717 1.00 0.00 N ATOM 161 CA ASP A 12 6.483 4.926 -6.183 1.00 0.00 C ATOM 162 C ASP A 12 5.454 5.514 -7.140 1.00 0.00 C ATOM 163 O ASP A 12 4.400 5.991 -6.718 1.00 0.00 O ATOM 164 CB ASP A 12 7.580 5.958 -5.907 1.00 0.00 C ATOM 165 CG ASP A 12 7.041 7.252 -5.314 1.00 0.00 C ATOM 166 OD1 ASP A 12 6.562 7.220 -4.205 1.00 0.00 O ATOM 167 OD2 ASP A 12 7.113 8.260 -5.974 1.00 0.00 O ATOM 0 H ASP A 12 8.073 3.716 -6.814 1.00 0.00 H new ATOM 0 HA ASP A 12 5.983 4.676 -5.247 1.00 0.00 H new ATOM 0 HB2 ASP A 12 8.312 5.528 -5.223 1.00 0.00 H new ATOM 0 HB3 ASP A 12 8.104 6.181 -6.836 1.00 0.00 H new ATOM 172 N ARG A 13 5.765 5.478 -8.431 1.00 0.00 N ATOM 173 CA ARG A 13 4.861 5.992 -9.453 1.00 0.00 C ATOM 174 C ARG A 13 3.531 5.249 -9.435 1.00 0.00 C ATOM 175 O ARG A 13 2.466 5.861 -9.511 1.00 0.00 O ATOM 176 CB ARG A 13 5.488 5.870 -10.834 1.00 0.00 C ATOM 177 CG ARG A 13 4.654 6.445 -11.968 1.00 0.00 C ATOM 178 CD ARG A 13 5.417 6.493 -13.241 1.00 0.00 C ATOM 179 NE ARG A 13 4.640 7.086 -14.317 1.00 0.00 N ATOM 180 CZ ARG A 13 4.394 8.404 -14.447 1.00 0.00 C ATOM 181 NH1 ARG A 13 4.870 9.251 -13.561 1.00 0.00 N ATOM 182 NH2 ARG A 13 3.675 8.845 -15.463 1.00 0.00 N ATOM 0 H ARG A 13 6.638 5.097 -8.795 1.00 0.00 H new ATOM 0 HA ARG A 13 4.679 7.043 -9.230 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.456 6.372 -10.823 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.677 4.816 -11.039 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.758 5.840 -12.104 1.00 0.00 H new ATOM 0 HG3 ARG A 13 4.324 7.449 -11.704 1.00 0.00 H new ATOM 0 HD2 ARG A 13 6.332 7.068 -13.095 1.00 0.00 H new ATOM 0 HD3 ARG A 13 5.716 5.484 -13.523 1.00 0.00 H new ATOM 0 HE ARG A 13 4.254 6.460 -15.023 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.425 8.910 -12.776 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.684 10.249 -13.659 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.306 8.188 -16.150 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.489 9.843 -15.561 1.00 0.00 H new ATOM 196 N SER A 14 3.600 3.925 -9.334 1.00 0.00 N ATOM 197 CA SER A 14 2.402 3.094 -9.330 1.00 0.00 C ATOM 198 C SER A 14 1.596 3.296 -8.053 1.00 0.00 C ATOM 199 O SER A 14 0.382 3.094 -8.036 1.00 0.00 O ATOM 200 CB SER A 14 2.780 1.633 -9.474 1.00 0.00 C ATOM 201 OG SER A 14 3.419 1.163 -8.319 1.00 0.00 O ATOM 0 H SER A 14 4.474 3.405 -9.254 1.00 0.00 H new ATOM 0 HA SER A 14 1.783 3.392 -10.176 1.00 0.00 H new ATOM 0 HB2 SER A 14 1.886 1.040 -9.666 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.437 1.507 -10.334 1.00 0.00 H new ATOM 0 HG SER A 14 4.123 1.792 -8.056 1.00 0.00 H new ATOM 207 N LEU A 15 2.279 3.695 -6.986 1.00 0.00 N ATOM 208 CA LEU A 15 1.620 3.974 -5.715 1.00 0.00 C ATOM 209 C LEU A 15 0.918 5.326 -5.744 1.00 0.00 C ATOM 210 O LEU A 15 -0.104 5.520 -5.086 1.00 0.00 O ATOM 211 CB LEU A 15 2.641 3.946 -4.571 1.00 0.00 C ATOM 212 CG LEU A 15 3.228 2.568 -4.238 1.00 0.00 C ATOM 213 CD1 LEU A 15 4.350 2.726 -3.221 1.00 0.00 C ATOM 214 CD2 LEU A 15 2.129 1.663 -3.704 1.00 0.00 C ATOM 0 H LEU A 15 3.290 3.833 -6.976 1.00 0.00 H new ATOM 0 HA LEU A 15 0.870 3.200 -5.550 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.461 4.619 -4.823 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.166 4.345 -3.675 1.00 0.00 H new ATOM 0 HG LEU A 15 3.641 2.112 -5.138 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.767 1.747 -2.984 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.131 3.362 -3.637 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.956 3.182 -2.313 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.546 0.684 -3.468 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.702 2.103 -2.803 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.350 1.553 -4.458 1.00 0.00 H new ATOM 226 N ARG A 16 1.473 6.259 -6.510 1.00 0.00 N ATOM 227 CA ARG A 16 0.883 7.585 -6.651 1.00 0.00 C ATOM 228 C ARG A 16 -0.032 7.655 -7.866 1.00 0.00 C ATOM 229 O ARG A 16 -0.805 8.601 -8.019 1.00 0.00 O ATOM 230 CB ARG A 16 1.969 8.643 -6.776 1.00 0.00 C ATOM 231 CG ARG A 16 2.774 8.888 -5.510 1.00 0.00 C ATOM 232 CD ARG A 16 3.702 10.037 -5.662 1.00 0.00 C ATOM 233 NE ARG A 16 4.828 9.715 -6.523 1.00 0.00 N ATOM 234 CZ ARG A 16 4.987 10.176 -7.779 1.00 0.00 C ATOM 235 NH1 ARG A 16 4.085 10.977 -8.304 1.00 0.00 N ATOM 236 NH2 ARG A 16 6.048 9.824 -8.483 1.00 0.00 N ATOM 0 H ARG A 16 2.332 6.121 -7.043 1.00 0.00 H new ATOM 0 HA ARG A 16 0.292 7.777 -5.756 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.653 8.349 -7.572 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.508 9.582 -7.083 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.095 9.076 -4.678 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.342 7.992 -5.261 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.161 10.888 -6.075 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.070 10.339 -4.681 1.00 0.00 H new ATOM 0 HE ARG A 16 5.548 9.097 -6.150 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.266 11.249 -7.760 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.205 11.326 -9.255 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.747 9.203 -8.076 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.168 10.173 -9.434 1.00 0.00 H new ATOM 250 N SER A 17 0.059 6.648 -8.728 1.00 0.00 N ATOM 251 CA SER A 17 -0.841 6.532 -9.869 1.00 0.00 C ATOM 252 C SER A 17 -2.164 5.895 -9.464 1.00 0.00 C ATOM 253 O SER A 17 -2.193 4.785 -8.933 1.00 0.00 O ATOM 254 CB SER A 17 -0.190 5.713 -10.967 1.00 0.00 C ATOM 255 OG SER A 17 -1.085 5.485 -12.021 1.00 0.00 O ATOM 0 H SER A 17 0.748 5.899 -8.658 1.00 0.00 H new ATOM 0 HA SER A 17 -1.045 7.536 -10.240 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.692 6.234 -11.340 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.150 4.760 -10.562 1.00 0.00 H new ATOM 0 HG SER A 17 -0.642 4.956 -12.717 1.00 0.00 H new ATOM 261 N VAL A 18 -3.259 6.604 -9.719 1.00 0.00 N ATOM 262 CA VAL A 18 -4.574 6.174 -9.258 1.00 0.00 C ATOM 263 C VAL A 18 -5.547 6.036 -10.421 1.00 0.00 C ATOM 264 O VAL A 18 -5.682 6.944 -11.242 1.00 0.00 O ATOM 265 CB VAL A 18 -5.138 7.181 -8.238 1.00 0.00 C ATOM 266 CG1 VAL A 18 -6.525 6.756 -7.781 1.00 0.00 C ATOM 267 CG2 VAL A 18 -4.192 7.301 -7.052 1.00 0.00 C ATOM 0 H VAL A 18 -3.262 7.479 -10.243 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.457 5.200 -8.784 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.225 8.157 -8.715 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -6.908 7.479 -7.061 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.194 6.711 -8.641 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -6.469 5.773 -7.314 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.597 8.015 -6.334 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.083 6.328 -6.574 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.218 7.647 -7.397 1.00 0.00 H new ATOM 277 N PHE A 19 -6.224 4.895 -10.487 1.00 0.00 N ATOM 278 CA PHE A 19 -7.267 4.679 -11.483 1.00 0.00 C ATOM 279 C PHE A 19 -8.546 5.417 -11.110 1.00 0.00 C ATOM 280 O PHE A 19 -9.045 5.289 -9.991 1.00 0.00 O ATOM 281 CB PHE A 19 -7.560 3.185 -11.635 1.00 0.00 C ATOM 282 CG PHE A 19 -8.722 2.884 -12.538 1.00 0.00 C ATOM 283 CD1 PHE A 19 -8.611 3.043 -13.911 1.00 0.00 C ATOM 284 CD2 PHE A 19 -9.929 2.443 -12.016 1.00 0.00 C ATOM 285 CE1 PHE A 19 -9.680 2.767 -14.743 1.00 0.00 C ATOM 286 CE2 PHE A 19 -10.998 2.165 -12.846 1.00 0.00 C ATOM 287 CZ PHE A 19 -10.873 2.328 -14.211 1.00 0.00 C ATOM 0 H PHE A 19 -6.069 4.104 -9.862 1.00 0.00 H new ATOM 0 HA PHE A 19 -6.905 5.073 -12.433 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -6.671 2.688 -12.024 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -7.758 2.761 -10.650 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -7.679 3.386 -14.335 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -10.034 2.315 -10.949 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -9.580 2.896 -15.811 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -11.932 1.820 -12.427 1.00 0.00 H new ATOM 0 HZ PHE A 19 -11.708 2.112 -14.861 1.00 0.00 H new ATOM 297 N VAL A 20 -9.074 6.190 -12.052 1.00 0.00 N ATOM 298 CA VAL A 20 -10.335 6.893 -11.850 1.00 0.00 C ATOM 299 C VAL A 20 -11.365 6.489 -12.898 1.00 0.00 C ATOM 300 O VAL A 20 -11.126 6.618 -14.099 1.00 0.00 O ATOM 301 CB VAL A 20 -10.115 8.416 -11.912 1.00 0.00 C ATOM 302 CG1 VAL A 20 -11.430 9.153 -11.709 1.00 0.00 C ATOM 303 CG2 VAL A 20 -9.095 8.834 -10.864 1.00 0.00 C ATOM 0 H VAL A 20 -8.647 6.346 -12.965 1.00 0.00 H new ATOM 0 HA VAL A 20 -10.712 6.618 -10.865 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.730 8.678 -12.898 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -11.256 10.228 -11.756 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -12.133 8.865 -12.491 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -11.845 8.895 -10.735 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.944 9.912 -10.913 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.460 8.563 -9.873 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.149 8.326 -11.054 1.00 0.00 H new ATOM 313 N GLY A 21 -12.511 6.000 -12.437 1.00 0.00 N ATOM 314 CA GLY A 21 -13.551 5.511 -13.334 1.00 0.00 C ATOM 315 C GLY A 21 -14.920 6.044 -12.930 1.00 0.00 C ATOM 316 O GLY A 21 -15.040 6.826 -11.987 1.00 0.00 O ATOM 0 H GLY A 21 -12.743 5.932 -11.446 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.326 5.815 -14.356 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.564 4.421 -13.321 1.00 0.00 H new ATOM 320 N ASN A 22 -15.952 5.617 -13.651 1.00 0.00 N ATOM 321 CA ASN A 22 -17.305 6.108 -13.418 1.00 0.00 C ATOM 322 C ASN A 22 -17.372 7.623 -13.555 1.00 0.00 C ATOM 323 O ASN A 22 -18.004 8.302 -12.745 1.00 0.00 O ATOM 324 CB ASN A 22 -17.803 5.672 -12.053 1.00 0.00 C ATOM 325 CG ASN A 22 -17.918 4.178 -11.929 1.00 0.00 C ATOM 326 OD1 ASN A 22 -17.907 3.457 -12.934 1.00 0.00 O ATOM 327 ND2 ASN A 22 -18.028 3.698 -10.717 1.00 0.00 N ATOM 0 H ASN A 22 -15.877 4.931 -14.402 1.00 0.00 H new ATOM 0 HA ASN A 22 -17.955 5.674 -14.178 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -17.124 6.045 -11.286 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -18.776 6.124 -11.864 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -18.109 2.692 -10.572 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -18.033 4.330 -9.917 1.00 0.00 H new ATOM 334 N ILE A 23 -16.716 8.149 -14.583 1.00 0.00 N ATOM 335 CA ILE A 23 -16.696 9.587 -14.825 1.00 0.00 C ATOM 336 C ILE A 23 -17.866 10.015 -15.701 1.00 0.00 C ATOM 337 O ILE A 23 -18.018 9.540 -16.826 1.00 0.00 O ATOM 338 CB ILE A 23 -15.374 10.014 -15.488 1.00 0.00 C ATOM 339 CG1 ILE A 23 -14.188 9.676 -14.582 1.00 0.00 C ATOM 340 CG2 ILE A 23 -15.396 11.501 -15.810 1.00 0.00 C ATOM 341 CD1 ILE A 23 -12.842 9.829 -15.254 1.00 0.00 C ATOM 0 H ILE A 23 -16.190 7.600 -15.263 1.00 0.00 H new ATOM 0 HA ILE A 23 -16.785 10.080 -13.857 1.00 0.00 H new ATOM 0 HB ILE A 23 -15.261 9.463 -16.422 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -14.220 10.320 -13.703 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -14.293 8.650 -14.230 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -14.454 11.786 -16.278 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -16.219 11.713 -16.492 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -15.531 12.070 -14.890 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.052 9.572 -14.549 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -12.789 9.165 -16.117 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -12.714 10.861 -15.582 1.00 0.00 H new ATOM 353 N PRO A 24 -18.692 10.915 -15.178 1.00 0.00 N ATOM 354 CA PRO A 24 -19.846 11.415 -15.915 1.00 0.00 C ATOM 355 C PRO A 24 -19.429 12.016 -17.251 1.00 0.00 C ATOM 356 O PRO A 24 -18.376 12.645 -17.358 1.00 0.00 O ATOM 357 CB PRO A 24 -20.422 12.478 -14.974 1.00 0.00 C ATOM 358 CG PRO A 24 -20.004 12.029 -13.615 1.00 0.00 C ATOM 359 CD PRO A 24 -18.620 11.471 -13.815 1.00 0.00 C ATOM 0 HA PRO A 24 -20.566 10.637 -16.168 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -20.030 13.468 -15.204 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -21.507 12.538 -15.057 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -20.000 12.857 -12.906 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -20.684 11.274 -13.219 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -17.855 12.244 -13.732 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -18.381 10.705 -13.077 1.00 0.00 H new ATOM 367 N TYR A 25 -20.260 11.817 -18.269 1.00 0.00 N ATOM 368 CA TYR A 25 -20.017 12.402 -19.582 1.00 0.00 C ATOM 369 C TYR A 25 -19.986 13.923 -19.511 1.00 0.00 C ATOM 370 O TYR A 25 -19.382 14.581 -20.357 1.00 0.00 O ATOM 371 CB TYR A 25 -21.082 11.939 -20.579 1.00 0.00 C ATOM 372 CG TYR A 25 -22.445 12.549 -20.343 1.00 0.00 C ATOM 373 CD1 TYR A 25 -22.798 13.728 -20.983 1.00 0.00 C ATOM 374 CD2 TYR A 25 -23.344 11.929 -19.487 1.00 0.00 C ATOM 375 CE1 TYR A 25 -24.043 14.286 -20.768 1.00 0.00 C ATOM 376 CE2 TYR A 25 -24.589 12.486 -19.272 1.00 0.00 C ATOM 377 CZ TYR A 25 -24.940 13.660 -19.908 1.00 0.00 C ATOM 378 OH TYR A 25 -26.180 14.215 -19.694 1.00 0.00 O ATOM 0 H TYR A 25 -21.109 11.254 -18.209 1.00 0.00 H new ATOM 0 HA TYR A 25 -19.041 12.060 -19.925 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -20.753 12.186 -21.588 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -21.166 10.853 -20.528 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -22.099 14.210 -21.650 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -23.070 11.011 -18.989 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -24.319 15.204 -21.265 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -25.289 12.003 -18.606 1.00 0.00 H new ATOM 0 HH TYR A 25 -26.686 13.655 -19.069 1.00 0.00 H new ATOM 388 N GLU A 26 -20.641 14.476 -18.496 1.00 0.00 N ATOM 389 CA GLU A 26 -20.643 15.918 -18.280 1.00 0.00 C ATOM 390 C GLU A 26 -19.275 16.410 -17.827 1.00 0.00 C ATOM 391 O GLU A 26 -18.901 17.555 -18.080 1.00 0.00 O ATOM 392 CB GLU A 26 -21.703 16.301 -17.244 1.00 0.00 C ATOM 393 CG GLU A 26 -23.138 16.080 -17.701 1.00 0.00 C ATOM 394 CD GLU A 26 -24.147 16.405 -16.636 1.00 0.00 C ATOM 395 OE1 GLU A 26 -23.756 16.583 -15.508 1.00 0.00 O ATOM 396 OE2 GLU A 26 -25.312 16.474 -16.951 1.00 0.00 O ATOM 0 H GLU A 26 -21.178 13.947 -17.809 1.00 0.00 H new ATOM 0 HA GLU A 26 -20.881 16.396 -19.230 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -21.531 15.724 -16.336 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -21.575 17.352 -16.983 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -23.333 16.695 -18.579 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -23.261 15.041 -18.006 1.00 0.00 H new ATOM 403 N ALA A 27 -18.531 15.538 -17.155 1.00 0.00 N ATOM 404 CA ALA A 27 -17.238 15.907 -16.591 1.00 0.00 C ATOM 405 C ALA A 27 -16.122 15.734 -17.612 1.00 0.00 C ATOM 406 O ALA A 27 -16.206 14.887 -18.501 1.00 0.00 O ATOM 407 CB ALA A 27 -16.949 15.083 -15.345 1.00 0.00 C ATOM 0 H ALA A 27 -18.802 14.569 -16.988 1.00 0.00 H new ATOM 0 HA ALA A 27 -17.280 16.960 -16.314 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -15.980 15.370 -14.936 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -17.725 15.263 -14.601 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -16.934 14.024 -15.604 1.00 0.00 H new ATOM 413 N THR A 28 -15.075 16.542 -17.480 1.00 0.00 N ATOM 414 CA THR A 28 -13.902 16.422 -18.336 1.00 0.00 C ATOM 415 C THR A 28 -12.621 16.693 -17.557 1.00 0.00 C ATOM 416 O THR A 28 -12.656 16.927 -16.349 1.00 0.00 O ATOM 417 CB THR A 28 -13.990 17.384 -19.536 1.00 0.00 C ATOM 418 OG1 THR A 28 -12.939 17.091 -20.466 1.00 0.00 O ATOM 419 CG2 THR A 28 -13.863 18.828 -19.072 1.00 0.00 C ATOM 0 H THR A 28 -15.016 17.288 -16.787 1.00 0.00 H new ATOM 0 HA THR A 28 -13.877 15.397 -18.706 1.00 0.00 H new ATOM 0 HB THR A 28 -14.958 17.251 -20.018 1.00 0.00 H new ATOM 0 HG1 THR A 28 -12.998 17.703 -21.229 1.00 0.00 H new ATOM 0 HG21 THR A 28 -13.927 19.494 -19.933 1.00 0.00 H new ATOM 0 HG22 THR A 28 -14.668 19.058 -18.374 1.00 0.00 H new ATOM 0 HG23 THR A 28 -12.902 18.968 -18.576 1.00 0.00 H new ATOM 427 N GLU A 29 -11.491 16.658 -18.255 1.00 0.00 N ATOM 428 CA GLU A 29 -10.189 16.793 -17.613 1.00 0.00 C ATOM 429 C GLU A 29 -10.045 18.151 -16.938 1.00 0.00 C ATOM 430 O GLU A 29 -9.499 18.254 -15.840 1.00 0.00 O ATOM 431 CB GLU A 29 -9.067 16.599 -18.636 1.00 0.00 C ATOM 432 CG GLU A 29 -8.887 15.163 -19.107 1.00 0.00 C ATOM 433 CD GLU A 29 -7.810 15.019 -20.146 1.00 0.00 C ATOM 434 OE1 GLU A 29 -7.415 16.013 -20.707 1.00 0.00 O ATOM 435 OE2 GLU A 29 -7.381 13.914 -20.380 1.00 0.00 O ATOM 0 H GLU A 29 -11.451 16.537 -19.267 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.114 16.020 -16.848 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.268 17.230 -19.502 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.130 16.946 -18.200 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.646 14.533 -18.251 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.830 14.799 -19.515 1.00 0.00 H new ATOM 442 N GLU A 30 -10.538 19.191 -17.602 1.00 0.00 N ATOM 443 CA GLU A 30 -10.508 20.538 -17.046 1.00 0.00 C ATOM 444 C GLU A 30 -11.270 20.607 -15.729 1.00 0.00 C ATOM 445 O GLU A 30 -10.859 21.302 -14.799 1.00 0.00 O ATOM 446 CB GLU A 30 -11.100 21.539 -18.041 1.00 0.00 C ATOM 447 CG GLU A 30 -11.029 22.991 -17.591 1.00 0.00 C ATOM 448 CD GLU A 30 -9.620 23.508 -17.503 1.00 0.00 C ATOM 449 OE1 GLU A 30 -8.764 22.959 -18.154 1.00 0.00 O ATOM 450 OE2 GLU A 30 -9.399 24.454 -16.784 1.00 0.00 O ATOM 0 H GLU A 30 -10.963 19.126 -18.527 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.466 20.796 -16.854 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -10.576 21.440 -18.992 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -12.143 21.278 -18.223 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.595 23.610 -18.287 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.508 23.088 -16.617 1.00 0.00 H new ATOM 457 N GLN A 31 -12.381 19.883 -15.654 1.00 0.00 N ATOM 458 CA GLN A 31 -13.161 19.801 -14.426 1.00 0.00 C ATOM 459 C GLN A 31 -12.435 18.983 -13.365 1.00 0.00 C ATOM 460 O GLN A 31 -12.483 19.306 -12.178 1.00 0.00 O ATOM 461 CB GLN A 31 -14.538 19.191 -14.704 1.00 0.00 C ATOM 462 CG GLN A 31 -15.472 19.188 -13.506 1.00 0.00 C ATOM 463 CD GLN A 31 -15.809 20.589 -13.033 1.00 0.00 C ATOM 464 OE1 GLN A 31 -16.201 21.450 -13.825 1.00 0.00 O ATOM 465 NE2 GLN A 31 -15.659 20.826 -11.735 1.00 0.00 N ATOM 0 H GLN A 31 -12.762 19.343 -16.431 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.291 20.815 -14.048 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -15.010 19.743 -15.517 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -14.406 18.166 -15.050 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -16.392 18.664 -13.767 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -15.010 18.633 -12.690 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -15.332 20.084 -11.116 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -15.871 21.750 -11.357 1.00 0.00 H new ATOM 474 N LEU A 32 -11.763 17.923 -13.800 1.00 0.00 N ATOM 475 CA LEU A 32 -11.071 17.025 -12.883 1.00 0.00 C ATOM 476 C LEU A 32 -9.890 17.721 -12.218 1.00 0.00 C ATOM 477 O LEU A 32 -9.471 17.343 -11.124 1.00 0.00 O ATOM 478 CB LEU A 32 -10.583 15.778 -13.630 1.00 0.00 C ATOM 479 CG LEU A 32 -11.679 14.815 -14.104 1.00 0.00 C ATOM 480 CD1 LEU A 32 -11.058 13.717 -14.957 1.00 0.00 C ATOM 481 CD2 LEU A 32 -12.397 14.229 -12.897 1.00 0.00 C ATOM 0 H LEU A 32 -11.683 17.664 -14.783 1.00 0.00 H new ATOM 0 HA LEU A 32 -11.777 16.729 -12.107 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.007 16.099 -14.498 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.901 15.231 -12.979 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.408 15.351 -14.712 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.837 13.033 -15.293 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.567 14.162 -15.823 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.324 13.169 -14.366 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -13.176 13.545 -13.234 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.683 13.688 -12.276 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.847 15.033 -12.316 1.00 0.00 H new ATOM 493 N LYS A 33 -9.357 18.739 -12.885 1.00 0.00 N ATOM 494 CA LYS A 33 -8.289 19.552 -12.317 1.00 0.00 C ATOM 495 C LYS A 33 -8.657 20.052 -10.926 1.00 0.00 C ATOM 496 O LYS A 33 -7.876 19.925 -9.983 1.00 0.00 O ATOM 497 CB LYS A 33 -7.969 20.734 -13.233 1.00 0.00 C ATOM 498 CG LYS A 33 -7.245 20.355 -14.518 1.00 0.00 C ATOM 499 CD LYS A 33 -6.992 21.576 -15.390 1.00 0.00 C ATOM 500 CE LYS A 33 -6.296 21.196 -16.688 1.00 0.00 C ATOM 501 NZ LYS A 33 -6.113 22.368 -17.586 1.00 0.00 N ATOM 0 H LYS A 33 -9.648 19.021 -13.821 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.403 18.923 -12.230 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -8.899 21.241 -13.490 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -7.357 21.449 -12.683 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.297 19.875 -14.276 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.838 19.627 -15.071 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.939 22.068 -15.613 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.380 22.294 -14.844 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.324 20.756 -16.463 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.880 20.433 -17.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.400 22.143 -18.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.016 22.595 -18.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.795 23.186 -17.028 1.00 0.00 H new ATOM 515 N ASP A 34 -9.852 20.621 -10.805 1.00 0.00 N ATOM 516 CA ASP A 34 -10.332 21.130 -9.525 1.00 0.00 C ATOM 517 C ASP A 34 -10.720 19.991 -8.591 1.00 0.00 C ATOM 518 O ASP A 34 -10.453 20.043 -7.390 1.00 0.00 O ATOM 519 CB ASP A 34 -11.531 22.058 -9.733 1.00 0.00 C ATOM 520 CG ASP A 34 -11.149 23.384 -10.377 1.00 0.00 C ATOM 521 OD1 ASP A 34 -9.980 23.688 -10.417 1.00 0.00 O ATOM 522 OD2 ASP A 34 -12.029 24.081 -10.822 1.00 0.00 O ATOM 0 H ASP A 34 -10.506 20.741 -11.578 1.00 0.00 H new ATOM 0 HA ASP A 34 -9.519 21.692 -9.066 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -12.269 21.555 -10.358 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -12.006 22.251 -8.771 1.00 0.00 H new ATOM 527 N ILE A 35 -11.350 18.963 -9.148 1.00 0.00 N ATOM 528 CA ILE A 35 -11.808 17.826 -8.359 1.00 0.00 C ATOM 529 C ILE A 35 -10.640 17.113 -7.690 1.00 0.00 C ATOM 530 O ILE A 35 -10.703 16.772 -6.509 1.00 0.00 O ATOM 531 CB ILE A 35 -12.586 16.827 -9.235 1.00 0.00 C ATOM 532 CG1 ILE A 35 -13.914 17.438 -9.691 1.00 0.00 C ATOM 533 CG2 ILE A 35 -12.826 15.530 -8.478 1.00 0.00 C ATOM 534 CD1 ILE A 35 -14.604 16.652 -10.783 1.00 0.00 C ATOM 0 H ILE A 35 -11.555 18.894 -10.145 1.00 0.00 H new ATOM 0 HA ILE A 35 -12.471 18.214 -7.586 1.00 0.00 H new ATOM 0 HB ILE A 35 -11.989 16.603 -10.119 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -14.582 17.514 -8.833 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -13.734 18.453 -10.045 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -13.377 14.835 -9.112 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -11.869 15.088 -8.201 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.404 15.736 -7.577 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -15.537 17.146 -11.053 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -13.956 16.598 -11.658 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -14.817 15.644 -10.427 1.00 0.00 H new ATOM 546 N PHE A 36 -9.574 16.892 -8.452 1.00 0.00 N ATOM 547 CA PHE A 36 -8.416 16.158 -7.955 1.00 0.00 C ATOM 548 C PHE A 36 -7.592 17.011 -6.999 1.00 0.00 C ATOM 549 O PHE A 36 -7.111 16.525 -5.975 1.00 0.00 O ATOM 550 CB PHE A 36 -7.538 15.694 -9.118 1.00 0.00 C ATOM 551 CG PHE A 36 -8.159 14.609 -9.951 1.00 0.00 C ATOM 552 CD1 PHE A 36 -9.278 13.924 -9.501 1.00 0.00 C ATOM 553 CD2 PHE A 36 -7.626 14.271 -11.185 1.00 0.00 C ATOM 554 CE1 PHE A 36 -9.850 12.926 -10.266 1.00 0.00 C ATOM 555 CE2 PHE A 36 -8.196 13.274 -11.953 1.00 0.00 C ATOM 556 CZ PHE A 36 -9.310 12.601 -11.492 1.00 0.00 C ATOM 0 H PHE A 36 -9.488 17.211 -9.417 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.784 15.287 -7.412 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -7.317 16.549 -9.757 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.587 15.337 -8.723 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -9.707 14.174 -8.542 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.754 14.793 -11.551 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -10.721 12.400 -9.903 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.771 13.021 -12.913 1.00 0.00 H new ATOM 0 HZ PHE A 36 -9.757 11.821 -12.091 1.00 0.00 H new ATOM 566 N SER A 37 -7.433 18.286 -7.339 1.00 0.00 N ATOM 567 CA SER A 37 -6.606 19.191 -6.550 1.00 0.00 C ATOM 568 C SER A 37 -7.290 19.560 -5.239 1.00 0.00 C ATOM 569 O SER A 37 -6.633 19.951 -4.274 1.00 0.00 O ATOM 570 CB SER A 37 -6.304 20.447 -7.344 1.00 0.00 C ATOM 571 OG SER A 37 -7.471 21.187 -7.577 1.00 0.00 O ATOM 0 H SER A 37 -7.866 18.716 -8.156 1.00 0.00 H new ATOM 0 HA SER A 37 -5.673 18.678 -6.316 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.583 21.059 -6.802 1.00 0.00 H new ATOM 0 HB3 SER A 37 -5.844 20.178 -8.295 1.00 0.00 H new ATOM 0 HG SER A 37 -7.842 20.947 -8.452 1.00 0.00 H new ATOM 577 N GLU A 38 -8.612 19.434 -5.212 1.00 0.00 N ATOM 578 CA GLU A 38 -9.386 19.737 -4.014 1.00 0.00 C ATOM 579 C GLU A 38 -8.934 18.885 -2.835 1.00 0.00 C ATOM 580 O GLU A 38 -8.807 19.376 -1.713 1.00 0.00 O ATOM 581 CB GLU A 38 -10.878 19.517 -4.272 1.00 0.00 C ATOM 582 CG GLU A 38 -11.778 19.867 -3.096 1.00 0.00 C ATOM 583 CD GLU A 38 -13.238 19.677 -3.400 1.00 0.00 C ATOM 584 OE1 GLU A 38 -13.545 19.161 -4.447 1.00 0.00 O ATOM 585 OE2 GLU A 38 -14.048 20.049 -2.583 1.00 0.00 O ATOM 0 H GLU A 38 -9.171 19.124 -6.007 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.216 20.785 -3.765 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.177 20.114 -5.133 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.038 18.472 -4.538 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.507 19.248 -2.241 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.604 20.904 -2.808 1.00 0.00 H new ATOM 592 N VAL A 39 -8.691 17.605 -3.096 1.00 0.00 N ATOM 593 CA VAL A 39 -8.396 16.649 -2.035 1.00 0.00 C ATOM 594 C VAL A 39 -6.894 16.492 -1.837 1.00 0.00 C ATOM 595 O VAL A 39 -6.448 15.801 -0.921 1.00 0.00 O ATOM 596 CB VAL A 39 -9.014 15.277 -2.365 1.00 0.00 C ATOM 597 CG1 VAL A 39 -10.524 15.394 -2.513 1.00 0.00 C ATOM 598 CG2 VAL A 39 -8.389 14.720 -3.635 1.00 0.00 C ATOM 0 H VAL A 39 -8.693 17.205 -4.034 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.831 17.033 -1.112 1.00 0.00 H new ATOM 0 HB VAL A 39 -8.808 14.590 -1.544 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -10.944 14.415 -2.746 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -10.954 15.760 -1.581 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -10.758 16.090 -3.318 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.831 13.750 -3.863 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.573 15.406 -4.462 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.315 14.605 -3.492 1.00 0.00 H new ATOM 608 N GLY A 40 -6.118 17.137 -2.701 1.00 0.00 N ATOM 609 CA GLY A 40 -4.666 17.146 -2.569 1.00 0.00 C ATOM 610 C GLY A 40 -3.996 17.546 -3.877 1.00 0.00 C ATOM 611 O GLY A 40 -4.507 17.262 -4.960 1.00 0.00 O ATOM 0 H GLY A 40 -6.471 17.661 -3.502 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.374 17.840 -1.781 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.320 16.157 -2.267 1.00 0.00 H new ATOM 615 N PRO A 41 -2.849 18.208 -3.770 1.00 0.00 N ATOM 616 CA PRO A 41 -2.095 18.630 -4.944 1.00 0.00 C ATOM 617 C PRO A 41 -1.870 17.466 -5.901 1.00 0.00 C ATOM 618 O PRO A 41 -1.590 16.345 -5.476 1.00 0.00 O ATOM 619 CB PRO A 41 -0.777 19.131 -4.346 1.00 0.00 C ATOM 620 CG PRO A 41 -1.158 19.641 -2.998 1.00 0.00 C ATOM 621 CD PRO A 41 -2.195 18.665 -2.508 1.00 0.00 C ATOM 0 HA PRO A 41 -2.607 19.388 -5.536 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.042 18.330 -4.275 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.335 19.917 -4.959 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.298 19.677 -2.329 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.560 20.653 -3.055 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.743 17.835 -1.964 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.908 19.138 -1.833 1.00 0.00 H new ATOM 629 N VAL A 42 -1.996 17.739 -7.196 1.00 0.00 N ATOM 630 CA VAL A 42 -1.902 16.696 -8.211 1.00 0.00 C ATOM 631 C VAL A 42 -0.933 17.091 -9.318 1.00 0.00 C ATOM 632 O VAL A 42 -0.856 18.258 -9.702 1.00 0.00 O ATOM 633 CB VAL A 42 -3.289 16.418 -8.821 1.00 0.00 C ATOM 634 CG1 VAL A 42 -3.845 17.675 -9.474 1.00 0.00 C ATOM 635 CG2 VAL A 42 -3.193 15.283 -9.829 1.00 0.00 C ATOM 0 H VAL A 42 -2.164 18.674 -7.567 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.529 15.794 -7.726 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.973 16.121 -8.026 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.825 17.461 -9.900 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.938 18.463 -8.726 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.170 18.003 -10.264 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.177 15.092 -10.256 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.500 15.560 -10.624 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.833 14.383 -9.330 1.00 0.00 H new ATOM 645 N VAL A 43 -0.195 16.111 -9.828 1.00 0.00 N ATOM 646 CA VAL A 43 0.860 16.373 -10.800 1.00 0.00 C ATOM 647 C VAL A 43 0.301 16.426 -12.217 1.00 0.00 C ATOM 648 O VAL A 43 0.412 17.445 -12.900 1.00 0.00 O ATOM 649 CB VAL A 43 1.944 15.282 -10.720 1.00 0.00 C ATOM 650 CG1 VAL A 43 2.974 15.473 -11.823 1.00 0.00 C ATOM 651 CG2 VAL A 43 2.608 15.312 -9.351 1.00 0.00 C ATOM 0 H VAL A 43 -0.308 15.127 -9.584 1.00 0.00 H new ATOM 0 HA VAL A 43 1.299 17.342 -10.560 1.00 0.00 H new ATOM 0 HB VAL A 43 1.476 14.307 -10.860 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.732 14.693 -11.751 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.483 15.413 -12.794 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.446 16.450 -11.715 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.374 14.538 -9.301 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.067 16.287 -9.191 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.859 15.132 -8.579 1.00 0.00 H new ATOM 661 N SER A 44 -0.298 15.324 -12.653 1.00 0.00 N ATOM 662 CA SER A 44 -0.797 15.212 -14.018 1.00 0.00 C ATOM 663 C SER A 44 -1.675 13.979 -14.185 1.00 0.00 C ATOM 664 O SER A 44 -1.466 12.962 -13.523 1.00 0.00 O ATOM 665 CB SER A 44 0.362 15.154 -14.995 1.00 0.00 C ATOM 666 OG SER A 44 -0.097 15.020 -16.312 1.00 0.00 O ATOM 0 H SER A 44 -0.450 14.494 -12.080 1.00 0.00 H new ATOM 0 HA SER A 44 -1.403 16.094 -14.227 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.963 16.059 -14.906 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.011 14.315 -14.745 1.00 0.00 H new ATOM 0 HG SER A 44 0.668 14.987 -16.923 1.00 0.00 H new ATOM 672 N PHE A 45 -2.659 14.074 -15.073 1.00 0.00 N ATOM 673 CA PHE A 45 -3.596 12.981 -15.299 1.00 0.00 C ATOM 674 C PHE A 45 -4.137 13.004 -16.723 1.00 0.00 C ATOM 675 O PHE A 45 -4.163 14.051 -17.370 1.00 0.00 O ATOM 676 CB PHE A 45 -4.757 13.058 -14.306 1.00 0.00 C ATOM 677 CG PHE A 45 -5.547 14.332 -14.395 1.00 0.00 C ATOM 678 CD1 PHE A 45 -6.666 14.416 -15.211 1.00 0.00 C ATOM 679 CD2 PHE A 45 -5.173 15.450 -13.665 1.00 0.00 C ATOM 680 CE1 PHE A 45 -7.394 15.588 -15.294 1.00 0.00 C ATOM 681 CE2 PHE A 45 -5.900 16.622 -13.745 1.00 0.00 C ATOM 682 CZ PHE A 45 -7.011 16.691 -14.561 1.00 0.00 C ATOM 0 H PHE A 45 -2.828 14.899 -15.649 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.056 12.046 -15.149 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -5.426 12.214 -14.477 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.365 12.954 -13.294 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -6.972 13.556 -15.788 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.303 15.404 -13.026 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -8.263 15.640 -15.933 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -5.599 17.484 -13.169 1.00 0.00 H new ATOM 0 HZ PHE A 45 -7.579 17.607 -14.625 1.00 0.00 H new ATOM 692 N ARG A 46 -4.567 11.844 -17.206 1.00 0.00 N ATOM 693 CA ARG A 46 -5.114 11.730 -18.553 1.00 0.00 C ATOM 694 C ARG A 46 -6.275 10.744 -18.595 1.00 0.00 C ATOM 695 O ARG A 46 -6.236 9.698 -17.948 1.00 0.00 O ATOM 696 CB ARG A 46 -4.039 11.285 -19.532 1.00 0.00 C ATOM 697 CG ARG A 46 -2.917 12.288 -19.751 1.00 0.00 C ATOM 698 CD ARG A 46 -3.386 13.481 -20.500 1.00 0.00 C ATOM 699 NE ARG A 46 -2.292 14.381 -20.827 1.00 0.00 N ATOM 700 CZ ARG A 46 -1.816 15.337 -20.006 1.00 0.00 C ATOM 701 NH1 ARG A 46 -2.346 15.504 -18.815 1.00 0.00 N ATOM 702 NH2 ARG A 46 -0.815 16.106 -20.397 1.00 0.00 N ATOM 0 H ARG A 46 -4.547 10.968 -16.684 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.480 12.715 -18.842 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.607 10.351 -19.174 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -4.509 11.072 -20.492 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.513 12.599 -18.787 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -2.104 11.811 -20.298 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.880 13.162 -21.418 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.129 14.013 -19.906 1.00 0.00 H new ATOM 0 HE ARG A 46 -1.854 14.281 -21.743 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -3.118 14.910 -18.512 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -1.986 16.228 -18.193 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -0.403 15.976 -21.321 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.455 16.830 -19.775 1.00 0.00 H new ATOM 716 N LEU A 47 -7.307 11.085 -19.359 1.00 0.00 N ATOM 717 CA LEU A 47 -8.458 10.207 -19.528 1.00 0.00 C ATOM 718 C LEU A 47 -8.319 9.350 -20.780 1.00 0.00 C ATOM 719 O LEU A 47 -7.769 9.793 -21.788 1.00 0.00 O ATOM 720 CB LEU A 47 -9.748 11.033 -19.606 1.00 0.00 C ATOM 721 CG LEU A 47 -10.113 11.819 -18.340 1.00 0.00 C ATOM 722 CD1 LEU A 47 -11.431 12.549 -18.558 1.00 0.00 C ATOM 723 CD2 LEU A 47 -10.205 10.865 -17.159 1.00 0.00 C ATOM 0 H LEU A 47 -7.370 11.965 -19.872 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.504 9.546 -18.663 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.658 11.736 -20.434 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.573 10.362 -19.845 1.00 0.00 H new ATOM 0 HG LEU A 47 -9.342 12.559 -18.125 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -11.691 13.108 -17.659 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -11.331 13.238 -19.397 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -12.216 11.825 -18.775 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -10.464 11.423 -16.260 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -10.972 10.116 -17.355 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -9.244 10.371 -17.015 1.00 0.00 H new ATOM 735 N VAL A 48 -8.821 8.122 -20.709 1.00 0.00 N ATOM 736 CA VAL A 48 -8.833 7.232 -21.863 1.00 0.00 C ATOM 737 C VAL A 48 -10.062 7.470 -22.731 1.00 0.00 C ATOM 738 O VAL A 48 -11.178 7.588 -22.224 1.00 0.00 O ATOM 739 CB VAL A 48 -8.809 5.762 -21.404 1.00 0.00 C ATOM 740 CG1 VAL A 48 -8.914 4.828 -22.601 1.00 0.00 C ATOM 741 CG2 VAL A 48 -7.538 5.486 -20.615 1.00 0.00 C ATOM 0 H VAL A 48 -9.225 7.720 -19.863 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.943 7.445 -22.454 1.00 0.00 H new ATOM 0 HB VAL A 48 -9.667 5.580 -20.757 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.895 3.794 -22.258 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.848 5.018 -23.130 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.074 5.002 -23.273 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.528 4.444 -20.294 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.670 5.680 -21.245 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.504 6.136 -19.740 1.00 0.00 H new ATOM 751 N TYR A 49 -9.851 7.539 -24.041 1.00 0.00 N ATOM 752 CA TYR A 49 -10.928 7.843 -24.975 1.00 0.00 C ATOM 753 C TYR A 49 -10.759 7.075 -26.280 1.00 0.00 C ATOM 754 O TYR A 49 -9.672 6.586 -26.587 1.00 0.00 O ATOM 755 CB TYR A 49 -10.990 9.347 -25.250 1.00 0.00 C ATOM 756 CG TYR A 49 -9.785 9.883 -25.990 1.00 0.00 C ATOM 757 CD1 TYR A 49 -9.816 10.000 -27.372 1.00 0.00 C ATOM 758 CD2 TYR A 49 -8.649 10.257 -25.288 1.00 0.00 C ATOM 759 CE1 TYR A 49 -8.715 10.489 -28.049 1.00 0.00 C ATOM 760 CE2 TYR A 49 -7.549 10.746 -25.964 1.00 0.00 C ATOM 761 CZ TYR A 49 -7.579 10.863 -27.339 1.00 0.00 C ATOM 762 OH TYR A 49 -6.483 11.350 -28.012 1.00 0.00 O ATOM 0 H TYR A 49 -8.943 7.388 -24.480 1.00 0.00 H new ATOM 0 HA TYR A 49 -11.866 7.530 -24.517 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -11.887 9.564 -25.830 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -11.088 9.876 -24.302 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -10.701 9.709 -27.919 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -8.625 10.166 -24.212 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -8.737 10.580 -29.125 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -6.665 11.037 -25.417 1.00 0.00 H new ATOM 0 HH TYR A 49 -5.774 11.566 -27.370 1.00 0.00 H new ATOM 772 N ASP A 50 -11.841 6.972 -27.044 1.00 0.00 N ATOM 773 CA ASP A 50 -11.796 6.329 -28.352 1.00 0.00 C ATOM 774 C ASP A 50 -11.014 7.171 -29.353 1.00 0.00 C ATOM 775 O ASP A 50 -11.427 8.276 -29.706 1.00 0.00 O ATOM 776 CB ASP A 50 -13.212 6.085 -28.879 1.00 0.00 C ATOM 777 CG ASP A 50 -13.231 5.321 -30.196 1.00 0.00 C ATOM 778 OD1 ASP A 50 -12.179 4.952 -30.661 1.00 0.00 O ATOM 779 OD2 ASP A 50 -14.297 5.113 -30.724 1.00 0.00 O ATOM 0 H ASP A 50 -12.760 7.326 -26.780 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.288 5.372 -28.232 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.781 5.529 -28.134 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -13.714 7.043 -29.013 1.00 0.00 H new ATOM 784 N ARG A 51 -9.883 6.642 -29.807 1.00 0.00 N ATOM 785 CA ARG A 51 -9.016 7.365 -30.730 1.00 0.00 C ATOM 786 C ARG A 51 -9.685 7.547 -32.086 1.00 0.00 C ATOM 787 O ARG A 51 -9.336 8.452 -32.844 1.00 0.00 O ATOM 788 CB ARG A 51 -7.697 6.628 -30.913 1.00 0.00 C ATOM 789 CG ARG A 51 -6.792 6.623 -29.691 1.00 0.00 C ATOM 790 CD ARG A 51 -5.549 5.846 -29.932 1.00 0.00 C ATOM 791 NE ARG A 51 -4.698 5.806 -28.754 1.00 0.00 N ATOM 792 CZ ARG A 51 -3.564 5.086 -28.654 1.00 0.00 C ATOM 793 NH1 ARG A 51 -3.159 4.352 -29.667 1.00 0.00 N ATOM 794 NH2 ARG A 51 -2.858 5.117 -27.537 1.00 0.00 N ATOM 0 H ARG A 51 -9.545 5.714 -29.551 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.825 8.348 -30.299 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -7.910 5.597 -31.194 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.157 7.080 -31.745 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.535 7.648 -29.424 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.328 6.198 -28.843 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.808 4.829 -30.228 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -4.999 6.289 -30.762 1.00 0.00 H new ATOM 0 HE ARG A 51 -4.979 6.362 -27.947 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -3.704 4.328 -30.529 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -2.300 3.807 -29.591 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.172 5.686 -26.751 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.999 4.572 -27.461 1.00 0.00 H new ATOM 808 N GLU A 52 -10.649 6.683 -32.386 1.00 0.00 N ATOM 809 CA GLU A 52 -11.322 6.705 -33.678 1.00 0.00 C ATOM 810 C GLU A 52 -12.363 7.816 -33.738 1.00 0.00 C ATOM 811 O GLU A 52 -12.421 8.574 -34.706 1.00 0.00 O ATOM 812 CB GLU A 52 -11.987 5.355 -33.957 1.00 0.00 C ATOM 813 CG GLU A 52 -12.693 5.267 -35.302 1.00 0.00 C ATOM 814 CD GLU A 52 -11.748 5.363 -36.467 1.00 0.00 C ATOM 815 OE1 GLU A 52 -10.584 5.094 -36.287 1.00 0.00 O ATOM 816 OE2 GLU A 52 -12.189 5.704 -37.539 1.00 0.00 O ATOM 0 H GLU A 52 -10.982 5.958 -31.750 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.569 6.898 -34.442 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.229 4.573 -33.907 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -12.710 5.150 -33.167 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -13.238 4.325 -35.360 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -13.431 6.066 -35.372 1.00 0.00 H new ATOM 823 N THR A 53 -13.185 7.907 -32.698 1.00 0.00 N ATOM 824 CA THR A 53 -14.317 8.825 -32.694 1.00 0.00 C ATOM 825 C THR A 53 -14.066 10.006 -31.766 1.00 0.00 C ATOM 826 O THR A 53 -14.606 11.093 -31.969 1.00 0.00 O ATOM 827 CB THR A 53 -15.613 8.105 -32.276 1.00 0.00 C ATOM 828 OG1 THR A 53 -15.477 7.610 -30.937 1.00 0.00 O ATOM 829 CG2 THR A 53 -15.905 6.944 -33.214 1.00 0.00 C ATOM 0 H THR A 53 -13.088 7.355 -31.846 1.00 0.00 H new ATOM 0 HA THR A 53 -14.433 9.198 -33.712 1.00 0.00 H new ATOM 0 HB THR A 53 -16.438 8.816 -32.327 1.00 0.00 H new ATOM 0 HG1 THR A 53 -15.158 6.684 -30.961 1.00 0.00 H new ATOM 0 HG21 THR A 53 -16.824 6.447 -32.903 1.00 0.00 H new ATOM 0 HG22 THR A 53 -16.021 7.318 -34.231 1.00 0.00 H new ATOM 0 HG23 THR A 53 -15.079 6.233 -33.181 1.00 0.00 H new ATOM 837 N GLY A 54 -13.243 9.786 -30.747 1.00 0.00 N ATOM 838 CA GLY A 54 -12.921 10.832 -29.783 1.00 0.00 C ATOM 839 C GLY A 54 -13.790 10.720 -28.537 1.00 0.00 C ATOM 840 O GLY A 54 -13.656 11.510 -27.602 1.00 0.00 O ATOM 0 H GLY A 54 -12.786 8.892 -30.567 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -11.870 10.762 -29.504 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -13.064 11.810 -30.242 1.00 0.00 H new ATOM 844 N LYS A 55 -14.682 9.735 -28.531 1.00 0.00 N ATOM 845 CA LYS A 55 -15.615 9.554 -27.426 1.00 0.00 C ATOM 846 C LYS A 55 -14.905 9.031 -26.184 1.00 0.00 C ATOM 847 O LYS A 55 -14.304 7.957 -26.207 1.00 0.00 O ATOM 848 CB LYS A 55 -16.742 8.601 -27.827 1.00 0.00 C ATOM 849 CG LYS A 55 -17.814 8.410 -26.762 1.00 0.00 C ATOM 850 CD LYS A 55 -18.928 7.499 -27.256 1.00 0.00 C ATOM 851 CE LYS A 55 -19.994 7.298 -26.189 1.00 0.00 C ATOM 852 NZ LYS A 55 -21.091 6.409 -26.659 1.00 0.00 N ATOM 0 H LYS A 55 -14.778 9.049 -29.280 1.00 0.00 H new ATOM 0 HA LYS A 55 -16.042 10.528 -27.189 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -17.213 8.977 -28.736 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -16.311 7.630 -28.069 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -17.366 7.986 -25.864 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -18.230 9.378 -26.484 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -19.382 7.928 -28.150 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -18.511 6.534 -27.542 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -19.538 6.870 -25.296 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -20.408 8.265 -25.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -21.796 6.298 -25.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -21.544 6.829 -27.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -20.701 5.478 -26.908 1.00 0.00 H new ATOM 866 N PRO A 56 -14.976 9.798 -25.101 1.00 0.00 N ATOM 867 CA PRO A 56 -14.385 9.389 -23.833 1.00 0.00 C ATOM 868 C PRO A 56 -14.920 8.034 -23.386 1.00 0.00 C ATOM 869 O PRO A 56 -16.096 7.726 -23.580 1.00 0.00 O ATOM 870 CB PRO A 56 -14.811 10.507 -22.877 1.00 0.00 C ATOM 871 CG PRO A 56 -14.998 11.693 -23.761 1.00 0.00 C ATOM 872 CD PRO A 56 -15.601 11.129 -25.020 1.00 0.00 C ATOM 0 HA PRO A 56 -13.304 9.262 -23.883 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -15.732 10.253 -22.352 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -14.052 10.692 -22.117 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -15.655 12.431 -23.302 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -14.050 12.192 -23.963 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -16.687 11.065 -24.957 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -15.368 11.741 -25.891 1.00 0.00 H new ATOM 880 N LYS A 57 -14.050 7.228 -22.787 1.00 0.00 N ATOM 881 CA LYS A 57 -14.443 5.919 -22.280 1.00 0.00 C ATOM 882 C LYS A 57 -15.069 6.029 -20.896 1.00 0.00 C ATOM 883 O LYS A 57 -15.850 5.169 -20.487 1.00 0.00 O ATOM 884 CB LYS A 57 -13.238 4.977 -22.238 1.00 0.00 C ATOM 885 CG LYS A 57 -12.647 4.650 -23.603 1.00 0.00 C ATOM 886 CD LYS A 57 -13.645 3.899 -24.472 1.00 0.00 C ATOM 887 CE LYS A 57 -13.022 3.478 -25.794 1.00 0.00 C ATOM 888 NZ LYS A 57 -13.989 2.745 -26.657 1.00 0.00 N ATOM 0 H LYS A 57 -13.067 7.459 -22.641 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.190 5.509 -22.960 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.462 5.427 -21.618 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.536 4.048 -21.752 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -12.348 5.572 -24.102 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.746 4.049 -23.477 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -14.003 3.018 -23.940 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.513 4.531 -24.662 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.661 4.361 -26.322 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.156 2.845 -25.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.525 2.476 -27.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.315 1.889 -26.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.804 3.357 -26.863 1.00 0.00 H new ATOM 902 N GLY A 58 -14.723 7.093 -20.179 1.00 0.00 N ATOM 903 CA GLY A 58 -15.327 7.371 -18.881 1.00 0.00 C ATOM 904 C GLY A 58 -14.410 6.943 -17.743 1.00 0.00 C ATOM 905 O GLY A 58 -14.846 6.805 -16.600 1.00 0.00 O ATOM 0 H GLY A 58 -14.027 7.777 -20.475 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -15.541 8.436 -18.798 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -16.279 6.847 -18.801 1.00 0.00 H new ATOM 909 N TYR A 59 -13.138 6.733 -18.063 1.00 0.00 N ATOM 910 CA TYR A 59 -12.140 6.398 -17.054 1.00 0.00 C ATOM 911 C TYR A 59 -10.748 6.838 -17.489 1.00 0.00 C ATOM 912 O TYR A 59 -10.510 7.102 -18.668 1.00 0.00 O ATOM 913 CB TYR A 59 -12.155 4.895 -16.764 1.00 0.00 C ATOM 914 CG TYR A 59 -11.738 4.042 -17.942 1.00 0.00 C ATOM 915 CD1 TYR A 59 -10.393 3.810 -18.190 1.00 0.00 C ATOM 916 CD2 TYR A 59 -12.701 3.492 -18.775 1.00 0.00 C ATOM 917 CE1 TYR A 59 -10.013 3.031 -19.265 1.00 0.00 C ATOM 918 CE2 TYR A 59 -12.321 2.713 -19.850 1.00 0.00 C ATOM 919 CZ TYR A 59 -10.983 2.482 -20.096 1.00 0.00 C ATOM 920 OH TYR A 59 -10.604 1.706 -21.168 1.00 0.00 O ATOM 0 H TYR A 59 -12.773 6.789 -19.014 1.00 0.00 H new ATOM 0 HA TYR A 59 -12.395 6.935 -16.140 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -11.490 4.690 -15.925 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -13.159 4.604 -16.454 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -9.643 4.239 -17.542 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -13.748 3.673 -18.583 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -8.966 2.849 -19.459 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -13.071 2.285 -20.498 1.00 0.00 H new ATOM 0 HH TYR A 59 -11.402 1.398 -21.647 1.00 0.00 H new ATOM 930 N GLY A 60 -9.830 6.914 -16.531 1.00 0.00 N ATOM 931 CA GLY A 60 -8.451 7.287 -16.819 1.00 0.00 C ATOM 932 C GLY A 60 -7.554 7.059 -15.609 1.00 0.00 C ATOM 933 O GLY A 60 -7.908 6.315 -14.694 1.00 0.00 O ATOM 0 H GLY A 60 -10.017 6.722 -15.547 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -8.083 6.704 -17.663 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.409 8.336 -17.114 1.00 0.00 H new ATOM 937 N PHE A 61 -6.392 7.702 -15.610 1.00 0.00 N ATOM 938 CA PHE A 61 -5.440 7.568 -14.514 1.00 0.00 C ATOM 939 C PHE A 61 -4.906 8.927 -14.078 1.00 0.00 C ATOM 940 O PHE A 61 -4.814 9.855 -14.882 1.00 0.00 O ATOM 941 CB PHE A 61 -4.276 6.664 -14.923 1.00 0.00 C ATOM 942 CG PHE A 61 -4.677 5.241 -15.185 1.00 0.00 C ATOM 943 CD1 PHE A 61 -5.069 4.837 -16.453 1.00 0.00 C ATOM 944 CD2 PHE A 61 -4.664 4.302 -14.165 1.00 0.00 C ATOM 945 CE1 PHE A 61 -5.438 3.528 -16.695 1.00 0.00 C ATOM 946 CE2 PHE A 61 -5.032 2.992 -14.404 1.00 0.00 C ATOM 947 CZ PHE A 61 -5.420 2.605 -15.671 1.00 0.00 C ATOM 0 H PHE A 61 -6.086 8.323 -16.359 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.966 7.117 -13.673 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.810 7.071 -15.820 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.522 6.680 -14.136 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.086 5.554 -17.260 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -4.362 4.598 -13.171 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.741 3.227 -17.687 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.016 2.271 -13.600 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.709 1.582 -15.860 1.00 0.00 H new ATOM 957 N CYS A 62 -4.556 9.038 -12.801 1.00 0.00 N ATOM 958 CA CYS A 62 -4.115 10.307 -12.235 1.00 0.00 C ATOM 959 C CYS A 62 -2.882 10.121 -11.361 1.00 0.00 C ATOM 960 O CYS A 62 -2.852 9.252 -10.489 1.00 0.00 O ATOM 961 CB CYS A 62 -5.230 10.943 -11.406 1.00 0.00 C ATOM 962 SG CYS A 62 -4.783 12.527 -10.658 1.00 0.00 S ATOM 0 H CYS A 62 -4.569 8.263 -12.138 1.00 0.00 H new ATOM 0 HA CYS A 62 -3.861 10.965 -13.066 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -6.103 11.087 -12.042 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -5.521 10.250 -10.617 1.00 0.00 H new ATOM 0 HG CYS A 62 -5.819 13.312 -10.653 1.00 0.00 H new ATOM 968 N GLU A 63 -1.864 10.942 -11.599 1.00 0.00 N ATOM 969 CA GLU A 63 -0.678 10.958 -10.751 1.00 0.00 C ATOM 970 C GLU A 63 -0.724 12.115 -9.761 1.00 0.00 C ATOM 971 O GLU A 63 -0.748 13.281 -10.155 1.00 0.00 O ATOM 972 CB GLU A 63 0.587 11.056 -11.606 1.00 0.00 C ATOM 973 CG GLU A 63 1.883 11.105 -10.808 1.00 0.00 C ATOM 974 CD GLU A 63 3.101 11.240 -11.678 1.00 0.00 C ATOM 975 OE1 GLU A 63 2.960 11.192 -12.877 1.00 0.00 O ATOM 976 OE2 GLU A 63 4.174 11.393 -11.144 1.00 0.00 O ATOM 0 H GLU A 63 -1.837 11.606 -12.373 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.659 10.025 -10.188 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.622 10.201 -12.281 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.523 11.949 -12.227 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.844 11.944 -10.113 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.969 10.199 -10.209 1.00 0.00 H new ATOM 983 N TYR A 64 -0.737 11.785 -8.474 1.00 0.00 N ATOM 984 CA TYR A 64 -0.832 12.794 -7.426 1.00 0.00 C ATOM 985 C TYR A 64 0.545 13.167 -6.894 1.00 0.00 C ATOM 986 O TYR A 64 1.516 12.437 -7.092 1.00 0.00 O ATOM 987 CB TYR A 64 -1.724 12.299 -6.285 1.00 0.00 C ATOM 988 CG TYR A 64 -3.193 12.232 -6.643 1.00 0.00 C ATOM 989 CD1 TYR A 64 -3.726 11.065 -7.171 1.00 0.00 C ATOM 990 CD2 TYR A 64 -4.006 13.338 -6.444 1.00 0.00 C ATOM 991 CE1 TYR A 64 -5.067 11.004 -7.498 1.00 0.00 C ATOM 992 CE2 TYR A 64 -5.346 13.277 -6.771 1.00 0.00 C ATOM 993 CZ TYR A 64 -5.877 12.116 -7.296 1.00 0.00 C ATOM 994 OH TYR A 64 -7.212 12.056 -7.622 1.00 0.00 O ATOM 0 H TYR A 64 -0.683 10.826 -8.132 1.00 0.00 H new ATOM 0 HA TYR A 64 -1.280 13.687 -7.862 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -1.389 11.308 -5.978 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -1.599 12.958 -5.426 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -3.093 10.204 -7.326 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -3.591 14.247 -6.033 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -5.484 10.097 -7.909 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -5.979 14.138 -6.616 1.00 0.00 H new ATOM 0 HH TYR A 64 -7.433 12.789 -8.233 1.00 0.00 H new ATOM 1004 N GLN A 65 0.624 14.309 -6.219 1.00 0.00 N ATOM 1005 CA GLN A 65 1.902 14.843 -5.764 1.00 0.00 C ATOM 1006 C GLN A 65 2.613 13.861 -4.842 1.00 0.00 C ATOM 1007 O GLN A 65 3.831 13.696 -4.915 1.00 0.00 O ATOM 1008 CB GLN A 65 1.699 16.180 -5.046 1.00 0.00 C ATOM 1009 CG GLN A 65 2.988 16.857 -4.612 1.00 0.00 C ATOM 1010 CD GLN A 65 3.850 17.268 -5.791 1.00 0.00 C ATOM 1011 OE1 GLN A 65 3.399 17.986 -6.687 1.00 0.00 O ATOM 1012 NE2 GLN A 65 5.098 16.814 -5.796 1.00 0.00 N ATOM 0 H GLN A 65 -0.183 14.883 -5.975 1.00 0.00 H new ATOM 0 HA GLN A 65 2.527 15.002 -6.643 1.00 0.00 H new ATOM 0 HB2 GLN A 65 1.152 16.854 -5.705 1.00 0.00 H new ATOM 0 HB3 GLN A 65 1.074 16.017 -4.168 1.00 0.00 H new ATOM 0 HG2 GLN A 65 2.750 17.737 -4.015 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.553 16.180 -3.971 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.429 16.223 -5.034 1.00 0.00 H new ATOM 0 HE22 GLN A 65 5.726 17.057 -6.562 1.00 0.00 H new ATOM 1021 N ASP A 66 1.846 13.210 -3.974 1.00 0.00 N ATOM 1022 CA ASP A 66 2.387 12.182 -3.093 1.00 0.00 C ATOM 1023 C ASP A 66 1.345 11.115 -2.787 1.00 0.00 C ATOM 1024 O ASP A 66 0.199 11.207 -3.229 1.00 0.00 O ATOM 1025 CB ASP A 66 2.888 12.804 -1.788 1.00 0.00 C ATOM 1026 CG ASP A 66 1.773 13.434 -0.964 1.00 0.00 C ATOM 1027 OD1 ASP A 66 0.641 13.051 -1.143 1.00 0.00 O ATOM 1028 OD2 ASP A 66 2.063 14.292 -0.165 1.00 0.00 O ATOM 0 H ASP A 66 0.846 13.377 -3.862 1.00 0.00 H new ATOM 0 HA ASP A 66 3.223 11.710 -3.609 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.383 12.037 -1.193 1.00 0.00 H new ATOM 0 HB3 ASP A 66 3.636 13.563 -2.017 1.00 0.00 H new ATOM 1033 N GLN A 67 1.748 10.102 -2.027 1.00 0.00 N ATOM 1034 CA GLN A 67 0.895 8.947 -1.774 1.00 0.00 C ATOM 1035 C GLN A 67 -0.233 9.295 -0.811 1.00 0.00 C ATOM 1036 O GLN A 67 -1.284 8.655 -0.815 1.00 0.00 O ATOM 1037 CB GLN A 67 1.720 7.784 -1.215 1.00 0.00 C ATOM 1038 CG GLN A 67 2.730 7.211 -2.194 1.00 0.00 C ATOM 1039 CD GLN A 67 3.576 6.113 -1.575 1.00 0.00 C ATOM 1040 OE1 GLN A 67 3.136 5.413 -0.659 1.00 0.00 O ATOM 1041 NE2 GLN A 67 4.797 5.957 -2.073 1.00 0.00 N ATOM 0 H GLN A 67 2.661 10.058 -1.575 1.00 0.00 H new ATOM 0 HA GLN A 67 0.453 8.646 -2.724 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.247 8.123 -0.323 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.042 6.990 -0.903 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.205 6.815 -3.064 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.380 8.010 -2.550 1.00 0.00 H new ATOM 0 HE21 GLN A 67 5.119 6.559 -2.831 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.412 5.235 -1.698 1.00 0.00 H new ATOM 1050 N GLU A 68 -0.008 10.313 0.012 1.00 0.00 N ATOM 1051 CA GLU A 68 -1.011 10.758 0.972 1.00 0.00 C ATOM 1052 C GLU A 68 -2.159 11.477 0.276 1.00 0.00 C ATOM 1053 O GLU A 68 -3.314 11.368 0.687 1.00 0.00 O ATOM 1054 CB GLU A 68 -0.378 11.679 2.017 1.00 0.00 C ATOM 1055 CG GLU A 68 0.621 10.993 2.938 1.00 0.00 C ATOM 1056 CD GLU A 68 0.001 9.902 3.765 1.00 0.00 C ATOM 1057 OE1 GLU A 68 -1.075 10.106 4.274 1.00 0.00 O ATOM 1058 OE2 GLU A 68 0.603 8.861 3.887 1.00 0.00 O ATOM 0 H GLU A 68 0.861 10.846 0.034 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.411 9.874 1.469 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.124 12.500 1.504 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.170 12.119 2.623 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.430 10.573 2.340 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.066 11.736 3.600 1.00 0.00 H new ATOM 1065 N THR A 69 -1.834 12.214 -0.782 1.00 0.00 N ATOM 1066 CA THR A 69 -2.847 12.878 -1.593 1.00 0.00 C ATOM 1067 C THR A 69 -3.569 11.885 -2.494 1.00 0.00 C ATOM 1068 O THR A 69 -4.747 12.057 -2.806 1.00 0.00 O ATOM 1069 CB THR A 69 -2.225 13.996 -2.450 1.00 0.00 C ATOM 1070 OG1 THR A 69 -1.137 13.465 -3.217 1.00 0.00 O ATOM 1071 CG2 THR A 69 -1.715 15.124 -1.566 1.00 0.00 C ATOM 0 H THR A 69 -0.876 12.366 -1.097 1.00 0.00 H new ATOM 0 HA THR A 69 -3.570 13.320 -0.908 1.00 0.00 H new ATOM 0 HB THR A 69 -2.991 14.390 -3.118 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.987 12.529 -2.968 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.279 15.905 -2.188 1.00 0.00 H new ATOM 0 HG22 THR A 69 -2.543 15.538 -0.991 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.957 14.738 -0.884 1.00 0.00 H new ATOM 1079 N ALA A 70 -2.856 10.844 -2.911 1.00 0.00 N ATOM 1080 CA ALA A 70 -3.472 9.723 -3.610 1.00 0.00 C ATOM 1081 C ALA A 70 -4.464 8.992 -2.713 1.00 0.00 C ATOM 1082 O ALA A 70 -5.560 8.635 -3.145 1.00 0.00 O ATOM 1083 CB ALA A 70 -2.405 8.761 -4.112 1.00 0.00 C ATOM 0 H ALA A 70 -1.849 10.754 -2.776 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.020 10.120 -4.465 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.881 7.929 -4.632 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.738 9.283 -4.797 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.832 8.380 -3.267 1.00 0.00 H new ATOM 1089 N LEU A 71 -4.072 8.773 -1.463 1.00 0.00 N ATOM 1090 CA LEU A 71 -4.962 8.174 -0.475 1.00 0.00 C ATOM 1091 C LEU A 71 -6.166 9.068 -0.205 1.00 0.00 C ATOM 1092 O LEU A 71 -7.305 8.601 -0.180 1.00 0.00 O ATOM 1093 CB LEU A 71 -4.205 7.916 0.833 1.00 0.00 C ATOM 1094 CG LEU A 71 -5.034 7.309 1.973 1.00 0.00 C ATOM 1095 CD1 LEU A 71 -5.596 5.964 1.532 1.00 0.00 C ATOM 1096 CD2 LEU A 71 -4.162 7.158 3.210 1.00 0.00 C ATOM 0 H LEU A 71 -3.143 9.001 -1.109 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.320 7.227 -0.878 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.369 7.250 0.622 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.782 8.859 1.178 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.868 7.967 2.218 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.185 5.533 2.342 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.230 6.104 0.657 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.776 5.291 1.282 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.751 6.727 4.020 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.321 6.503 2.984 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.789 8.136 3.514 1.00 0.00 H new ATOM 1108 N SER A 72 -5.907 10.355 -0.002 1.00 0.00 N ATOM 1109 CA SER A 72 -6.973 11.327 0.210 1.00 0.00 C ATOM 1110 C SER A 72 -8.048 11.208 -0.863 1.00 0.00 C ATOM 1111 O SER A 72 -9.241 11.203 -0.561 1.00 0.00 O ATOM 1112 CB SER A 72 -6.404 12.733 0.214 1.00 0.00 C ATOM 1113 OG SER A 72 -7.414 13.683 0.414 1.00 0.00 O ATOM 0 H SER A 72 -4.967 10.750 0.020 1.00 0.00 H new ATOM 0 HA SER A 72 -7.430 11.119 1.177 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.654 12.823 1.000 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.899 12.927 -0.732 1.00 0.00 H new ATOM 0 HG SER A 72 -7.082 14.571 0.165 1.00 0.00 H new ATOM 1119 N ALA A 73 -7.618 11.112 -2.116 1.00 0.00 N ATOM 1120 CA ALA A 73 -8.540 10.928 -3.230 1.00 0.00 C ATOM 1121 C ALA A 73 -9.336 9.638 -3.079 1.00 0.00 C ATOM 1122 O ALA A 73 -10.553 9.623 -3.263 1.00 0.00 O ATOM 1123 CB ALA A 73 -7.783 10.929 -4.550 1.00 0.00 C ATOM 0 H ALA A 73 -6.635 11.159 -2.386 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.243 11.761 -3.225 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.485 10.791 -5.372 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.265 11.880 -4.672 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.056 10.117 -4.553 1.00 0.00 H new ATOM 1129 N MET A 74 -8.643 8.556 -2.741 1.00 0.00 N ATOM 1130 CA MET A 74 -9.277 7.250 -2.608 1.00 0.00 C ATOM 1131 C MET A 74 -10.248 7.227 -1.435 1.00 0.00 C ATOM 1132 O MET A 74 -11.164 6.404 -1.391 1.00 0.00 O ATOM 1133 CB MET A 74 -8.216 6.163 -2.444 1.00 0.00 C ATOM 1134 CG MET A 74 -7.421 5.863 -3.707 1.00 0.00 C ATOM 1135 SD MET A 74 -6.391 4.392 -3.546 1.00 0.00 S ATOM 1136 CE MET A 74 -5.052 5.024 -2.539 1.00 0.00 C ATOM 0 H MET A 74 -7.640 8.558 -2.554 1.00 0.00 H new ATOM 0 HA MET A 74 -9.846 7.054 -3.517 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.524 6.464 -1.657 1.00 0.00 H new ATOM 0 HB3 MET A 74 -8.701 5.246 -2.109 1.00 0.00 H new ATOM 0 HG2 MET A 74 -8.109 5.730 -4.542 1.00 0.00 H new ATOM 0 HG3 MET A 74 -6.790 6.719 -3.947 1.00 0.00 H new ATOM 0 HE1 MET A 74 -4.160 4.417 -2.696 1.00 0.00 H new ATOM 0 HE2 MET A 74 -4.842 6.056 -2.819 1.00 0.00 H new ATOM 0 HE3 MET A 74 -5.337 4.984 -1.488 1.00 0.00 H new ATOM 1146 N ARG A 75 -10.044 8.133 -0.486 1.00 0.00 N ATOM 1147 CA ARG A 75 -10.915 8.233 0.679 1.00 0.00 C ATOM 1148 C ARG A 75 -12.063 9.202 0.428 1.00 0.00 C ATOM 1149 O ARG A 75 -13.194 8.964 0.852 1.00 0.00 O ATOM 1150 CB ARG A 75 -10.128 8.688 1.899 1.00 0.00 C ATOM 1151 CG ARG A 75 -9.129 7.673 2.431 1.00 0.00 C ATOM 1152 CD ARG A 75 -8.371 8.206 3.592 1.00 0.00 C ATOM 1153 NE ARG A 75 -9.228 8.421 4.747 1.00 0.00 N ATOM 1154 CZ ARG A 75 -8.876 9.126 5.840 1.00 0.00 C ATOM 1155 NH1 ARG A 75 -7.684 9.675 5.912 1.00 0.00 N ATOM 1156 NH2 ARG A 75 -9.729 9.264 6.840 1.00 0.00 N ATOM 0 H ARG A 75 -9.281 8.810 -0.501 1.00 0.00 H new ATOM 0 HA ARG A 75 -11.328 7.241 0.864 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -9.594 9.604 1.648 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -10.830 8.936 2.695 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -9.655 6.765 2.725 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -8.434 7.396 1.638 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -7.574 7.510 3.856 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -7.894 9.146 3.314 1.00 0.00 H new ATOM 0 HE ARG A 75 -10.161 8.009 4.728 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -7.026 9.567 5.141 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -7.417 10.209 6.739 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -10.654 8.837 6.784 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.463 9.798 7.667 1.00 0.00 H new ATOM 1170 N ASN A 76 -11.765 10.297 -0.264 1.00 0.00 N ATOM 1171 CA ASN A 76 -12.710 11.398 -0.400 1.00 0.00 C ATOM 1172 C ASN A 76 -13.491 11.297 -1.704 1.00 0.00 C ATOM 1173 O ASN A 76 -14.721 11.353 -1.709 1.00 0.00 O ATOM 1174 CB ASN A 76 -11.993 12.733 -0.310 1.00 0.00 C ATOM 1175 CG ASN A 76 -11.504 13.033 1.080 1.00 0.00 C ATOM 1176 OD1 ASN A 76 -12.061 12.540 2.067 1.00 0.00 O ATOM 1177 ND2 ASN A 76 -10.473 13.833 1.176 1.00 0.00 N ATOM 0 H ASN A 76 -10.875 10.445 -0.740 1.00 0.00 H new ATOM 0 HA ASN A 76 -13.421 11.331 0.423 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -11.147 12.734 -0.997 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -12.667 13.526 -0.633 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -10.097 14.073 2.093 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -10.045 14.217 0.333 1.00 0.00 H new ATOM 1184 N LEU A 77 -12.769 11.147 -2.810 1.00 0.00 N ATOM 1185 CA LEU A 77 -13.378 11.191 -4.134 1.00 0.00 C ATOM 1186 C LEU A 77 -14.089 9.884 -4.457 1.00 0.00 C ATOM 1187 O LEU A 77 -15.075 9.869 -5.194 1.00 0.00 O ATOM 1188 CB LEU A 77 -12.311 11.477 -5.198 1.00 0.00 C ATOM 1189 CG LEU A 77 -11.652 12.860 -5.125 1.00 0.00 C ATOM 1190 CD1 LEU A 77 -10.596 12.979 -6.216 1.00 0.00 C ATOM 1191 CD2 LEU A 77 -12.715 13.938 -5.273 1.00 0.00 C ATOM 0 H LEU A 77 -11.761 10.994 -2.815 1.00 0.00 H new ATOM 0 HA LEU A 77 -14.116 11.993 -4.137 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -11.532 10.719 -5.118 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -12.766 11.363 -6.182 1.00 0.00 H new ATOM 0 HG LEU A 77 -11.164 12.989 -4.159 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -10.128 13.962 -6.164 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.838 12.208 -6.075 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -11.065 12.852 -7.192 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -12.246 14.921 -5.221 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -13.216 13.825 -6.234 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -13.445 13.841 -4.470 1.00 0.00 H new ATOM 1203 N ASN A 78 -13.584 8.788 -3.902 1.00 0.00 N ATOM 1204 CA ASN A 78 -14.199 7.480 -4.091 1.00 0.00 C ATOM 1205 C ASN A 78 -15.570 7.415 -3.431 1.00 0.00 C ATOM 1206 O ASN A 78 -15.679 7.394 -2.205 1.00 0.00 O ATOM 1207 CB ASN A 78 -13.297 6.383 -3.557 1.00 0.00 C ATOM 1208 CG ASN A 78 -13.824 5.006 -3.851 1.00 0.00 C ATOM 1209 OD1 ASN A 78 -15.014 4.729 -3.658 1.00 0.00 O ATOM 1210 ND2 ASN A 78 -12.962 4.137 -4.314 1.00 0.00 N ATOM 0 H ASN A 78 -12.749 8.780 -3.317 1.00 0.00 H new ATOM 0 HA ASN A 78 -14.335 7.326 -5.161 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -12.304 6.489 -3.995 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -13.185 6.503 -2.479 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -13.262 3.187 -4.531 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -11.990 4.410 -4.458 1.00 0.00 H new ATOM 1217 N GLY A 79 -16.615 7.384 -4.251 1.00 0.00 N ATOM 1218 CA GLY A 79 -17.982 7.320 -3.748 1.00 0.00 C ATOM 1219 C GLY A 79 -18.644 8.692 -3.775 1.00 0.00 C ATOM 1220 O GLY A 79 -19.815 8.834 -3.424 1.00 0.00 O ATOM 0 H GLY A 79 -16.541 7.402 -5.268 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -18.562 6.622 -4.351 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -17.979 6.935 -2.728 1.00 0.00 H new ATOM 1224 N ARG A 80 -17.887 9.700 -4.193 1.00 0.00 N ATOM 1225 CA ARG A 80 -18.401 11.062 -4.274 1.00 0.00 C ATOM 1226 C ARG A 80 -19.334 11.229 -5.466 1.00 0.00 C ATOM 1227 O ARG A 80 -19.043 10.758 -6.565 1.00 0.00 O ATOM 1228 CB ARG A 80 -17.257 12.060 -4.386 1.00 0.00 C ATOM 1229 CG ARG A 80 -17.680 13.521 -4.376 1.00 0.00 C ATOM 1230 CD ARG A 80 -16.510 14.430 -4.268 1.00 0.00 C ATOM 1231 NE ARG A 80 -16.892 15.825 -4.419 1.00 0.00 N ATOM 1232 CZ ARG A 80 -16.028 16.858 -4.425 1.00 0.00 C ATOM 1233 NH1 ARG A 80 -14.739 16.638 -4.287 1.00 0.00 N ATOM 1234 NH2 ARG A 80 -16.476 18.094 -4.569 1.00 0.00 N ATOM 0 H ARG A 80 -16.914 9.599 -4.481 1.00 0.00 H new ATOM 0 HA ARG A 80 -18.962 11.255 -3.360 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -16.565 11.891 -3.561 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -16.709 11.861 -5.307 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -18.233 13.746 -5.288 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -18.357 13.698 -3.540 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -16.028 14.288 -3.301 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -15.776 14.170 -5.031 1.00 0.00 H new ATOM 0 HE ARG A 80 -17.884 16.036 -4.528 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -14.393 15.685 -4.175 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -14.085 17.420 -4.292 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -17.476 18.265 -4.675 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -15.822 18.876 -4.574 1.00 0.00 H new ATOM 1248 N GLU A 81 -20.458 11.902 -5.241 1.00 0.00 N ATOM 1249 CA GLU A 81 -21.508 11.998 -6.248 1.00 0.00 C ATOM 1250 C GLU A 81 -21.235 13.137 -7.221 1.00 0.00 C ATOM 1251 O GLU A 81 -21.085 14.290 -6.816 1.00 0.00 O ATOM 1252 CB GLU A 81 -22.870 12.199 -5.580 1.00 0.00 C ATOM 1253 CG GLU A 81 -24.040 12.277 -6.551 1.00 0.00 C ATOM 1254 CD GLU A 81 -25.358 12.495 -5.861 1.00 0.00 C ATOM 1255 OE1 GLU A 81 -25.383 12.495 -4.654 1.00 0.00 O ATOM 1256 OE2 GLU A 81 -26.342 12.662 -6.543 1.00 0.00 O ATOM 0 H GLU A 81 -20.665 12.389 -4.369 1.00 0.00 H new ATOM 0 HA GLU A 81 -21.519 11.063 -6.809 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -23.045 11.378 -4.884 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -22.841 13.116 -4.991 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -23.866 13.089 -7.257 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -24.087 11.355 -7.131 1.00 0.00 H new ATOM 1263 N PHE A 82 -21.173 12.808 -8.507 1.00 0.00 N ATOM 1264 CA PHE A 82 -21.078 13.820 -9.553 1.00 0.00 C ATOM 1265 C PHE A 82 -22.212 13.680 -10.560 1.00 0.00 C ATOM 1266 O PHE A 82 -22.161 12.835 -11.453 1.00 0.00 O ATOM 1267 CB PHE A 82 -19.733 13.716 -10.275 1.00 0.00 C ATOM 1268 CG PHE A 82 -18.550 14.012 -9.397 1.00 0.00 C ATOM 1269 CD1 PHE A 82 -17.877 12.987 -8.748 1.00 0.00 C ATOM 1270 CD2 PHE A 82 -18.108 15.314 -9.218 1.00 0.00 C ATOM 1271 CE1 PHE A 82 -16.788 13.258 -7.940 1.00 0.00 C ATOM 1272 CE2 PHE A 82 -17.020 15.587 -8.413 1.00 0.00 C ATOM 1273 CZ PHE A 82 -16.359 14.557 -7.773 1.00 0.00 C ATOM 0 H PHE A 82 -21.187 11.848 -8.850 1.00 0.00 H new ATOM 0 HA PHE A 82 -21.157 14.797 -9.077 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -19.628 12.711 -10.685 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -19.730 14.406 -11.119 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -18.207 11.967 -8.875 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -18.621 16.124 -9.714 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -16.273 12.451 -7.439 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -16.686 16.606 -8.284 1.00 0.00 H new ATOM 0 HZ PHE A 82 -15.508 14.769 -7.143 1.00 0.00 H new ATOM 1283 N SER A 83 -23.235 14.514 -10.410 1.00 0.00 N ATOM 1284 CA SER A 83 -24.407 14.452 -11.275 1.00 0.00 C ATOM 1285 C SER A 83 -25.107 13.104 -11.159 1.00 0.00 C ATOM 1286 O SER A 83 -25.547 12.534 -12.157 1.00 0.00 O ATOM 1287 CB SER A 83 -24.007 14.701 -12.716 1.00 0.00 C ATOM 1288 OG SER A 83 -23.432 15.971 -12.865 1.00 0.00 O ATOM 0 H SER A 83 -23.276 15.242 -9.697 1.00 0.00 H new ATOM 0 HA SER A 83 -25.102 15.227 -10.954 1.00 0.00 H new ATOM 0 HB2 SER A 83 -23.299 13.937 -13.038 1.00 0.00 H new ATOM 0 HB3 SER A 83 -24.882 14.616 -13.360 1.00 0.00 H new ATOM 0 HG SER A 83 -23.424 16.217 -13.813 1.00 0.00 H new ATOM 1294 N GLY A 84 -25.205 12.597 -9.935 1.00 0.00 N ATOM 1295 CA GLY A 84 -25.923 11.355 -9.675 1.00 0.00 C ATOM 1296 C GLY A 84 -25.077 10.143 -10.041 1.00 0.00 C ATOM 1297 O GLY A 84 -25.607 9.082 -10.374 1.00 0.00 O ATOM 0 H GLY A 84 -24.795 13.028 -9.106 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -26.198 11.305 -8.622 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -26.850 11.341 -10.248 1.00 0.00 H new ATOM 1301 N ARG A 85 -23.760 10.305 -9.977 1.00 0.00 N ATOM 1302 CA ARG A 85 -22.838 9.227 -10.311 1.00 0.00 C ATOM 1303 C ARG A 85 -21.684 9.161 -9.319 1.00 0.00 C ATOM 1304 O ARG A 85 -20.942 10.129 -9.151 1.00 0.00 O ATOM 1305 CB ARG A 85 -22.284 9.412 -11.716 1.00 0.00 C ATOM 1306 CG ARG A 85 -23.315 9.306 -12.829 1.00 0.00 C ATOM 1307 CD ARG A 85 -23.814 7.916 -12.985 1.00 0.00 C ATOM 1308 NE ARG A 85 -24.743 7.795 -14.097 1.00 0.00 N ATOM 1309 CZ ARG A 85 -26.067 8.034 -14.018 1.00 0.00 C ATOM 1310 NH1 ARG A 85 -26.601 8.406 -12.876 1.00 0.00 N ATOM 1311 NH2 ARG A 85 -26.829 7.895 -15.089 1.00 0.00 N ATOM 0 H ARG A 85 -23.307 11.175 -9.696 1.00 0.00 H new ATOM 0 HA ARG A 85 -23.397 8.292 -10.262 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -21.805 10.389 -11.776 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -21.508 8.665 -11.886 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -24.152 9.971 -12.615 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -22.873 9.642 -13.767 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -22.971 7.243 -13.141 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -24.306 7.602 -12.065 1.00 0.00 H new ATOM 0 HE ARG A 85 -24.366 7.509 -15.001 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -26.013 8.514 -12.049 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -27.603 8.587 -12.816 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -26.415 7.607 -15.976 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -27.831 8.076 -15.029 1.00 0.00 H new ATOM 1325 N ALA A 86 -21.538 8.015 -8.664 1.00 0.00 N ATOM 1326 CA ALA A 86 -20.453 7.809 -7.712 1.00 0.00 C ATOM 1327 C ALA A 86 -19.129 7.579 -8.428 1.00 0.00 C ATOM 1328 O ALA A 86 -18.989 6.637 -9.209 1.00 0.00 O ATOM 1329 CB ALA A 86 -20.768 6.636 -6.795 1.00 0.00 C ATOM 0 H ALA A 86 -22.158 7.213 -8.775 1.00 0.00 H new ATOM 0 HA ALA A 86 -20.359 8.712 -7.109 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -19.949 6.495 -6.090 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -21.688 6.840 -6.246 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -20.894 5.732 -7.391 1.00 0.00 H new ATOM 1335 N LEU A 87 -18.158 8.445 -8.159 1.00 0.00 N ATOM 1336 CA LEU A 87 -16.847 8.347 -8.788 1.00 0.00 C ATOM 1337 C LEU A 87 -16.034 7.204 -8.193 1.00 0.00 C ATOM 1338 O LEU A 87 -15.969 7.045 -6.974 1.00 0.00 O ATOM 1339 CB LEU A 87 -16.080 9.666 -8.626 1.00 0.00 C ATOM 1340 CG LEU A 87 -14.777 9.781 -9.427 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -15.098 9.849 -10.914 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -14.011 11.016 -8.976 1.00 0.00 C ATOM 0 H LEU A 87 -18.255 9.224 -7.508 1.00 0.00 H new ATOM 0 HA LEU A 87 -17.000 8.145 -9.848 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -16.737 10.485 -8.917 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -15.849 9.803 -7.570 1.00 0.00 H new ATOM 0 HG LEU A 87 -14.153 8.905 -9.250 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -14.172 9.931 -11.483 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -15.629 8.945 -11.213 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -15.723 10.720 -11.112 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -13.085 11.098 -9.545 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -14.620 11.904 -9.145 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -13.778 10.932 -7.914 1.00 0.00 H new ATOM 1354 N ARG A 88 -15.416 6.410 -9.061 1.00 0.00 N ATOM 1355 CA ARG A 88 -14.537 5.333 -8.621 1.00 0.00 C ATOM 1356 C ARG A 88 -13.080 5.780 -8.614 1.00 0.00 C ATOM 1357 O ARG A 88 -12.539 6.181 -9.644 1.00 0.00 O ATOM 1358 CB ARG A 88 -14.686 4.118 -9.524 1.00 0.00 C ATOM 1359 CG ARG A 88 -13.777 2.949 -9.179 1.00 0.00 C ATOM 1360 CD ARG A 88 -13.955 1.817 -10.124 1.00 0.00 C ATOM 1361 NE ARG A 88 -13.063 0.710 -9.819 1.00 0.00 N ATOM 1362 CZ ARG A 88 -12.953 -0.411 -10.559 1.00 0.00 C ATOM 1363 NH1 ARG A 88 -13.683 -0.557 -11.642 1.00 0.00 N ATOM 1364 NH2 ARG A 88 -12.111 -1.362 -10.196 1.00 0.00 N ATOM 0 H ARG A 88 -15.508 6.492 -10.074 1.00 0.00 H new ATOM 0 HA ARG A 88 -14.828 5.067 -7.605 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -15.721 3.779 -9.484 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -14.489 4.421 -10.552 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -12.738 3.278 -9.197 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -13.987 2.612 -8.164 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -14.988 1.472 -10.086 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -13.771 2.161 -11.142 1.00 0.00 H new ATOM 0 HE ARG A 88 -12.479 0.787 -8.986 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -14.332 0.178 -11.922 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -13.600 -1.405 -12.202 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -11.544 -1.248 -9.356 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -12.028 -2.210 -10.756 1.00 0.00 H new ATOM 1378 N VAL A 89 -12.451 5.708 -7.446 1.00 0.00 N ATOM 1379 CA VAL A 89 -11.051 6.090 -7.306 1.00 0.00 C ATOM 1380 C VAL A 89 -10.258 5.019 -6.569 1.00 0.00 C ATOM 1381 O VAL A 89 -10.366 4.881 -5.350 1.00 0.00 O ATOM 1382 CB VAL A 89 -10.935 7.425 -6.545 1.00 0.00 C ATOM 1383 CG1 VAL A 89 -9.477 7.837 -6.411 1.00 0.00 C ATOM 1384 CG2 VAL A 89 -11.736 8.501 -7.262 1.00 0.00 C ATOM 0 H VAL A 89 -12.889 5.388 -6.582 1.00 0.00 H new ATOM 0 HA VAL A 89 -10.637 6.203 -8.308 1.00 0.00 H new ATOM 0 HB VAL A 89 -11.343 7.297 -5.542 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -9.414 8.782 -5.871 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.931 7.069 -5.863 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -9.040 7.956 -7.402 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -11.649 9.442 -6.719 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -11.350 8.629 -8.273 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -12.784 8.204 -7.309 1.00 0.00 H new ATOM 1394 N ASP A 90 -9.462 4.261 -7.315 1.00 0.00 N ATOM 1395 CA ASP A 90 -8.690 3.164 -6.742 1.00 0.00 C ATOM 1396 C ASP A 90 -7.259 3.166 -7.264 1.00 0.00 C ATOM 1397 O ASP A 90 -7.008 3.528 -8.413 1.00 0.00 O ATOM 1398 CB ASP A 90 -9.353 1.821 -7.056 1.00 0.00 C ATOM 1399 CG ASP A 90 -10.732 1.678 -6.426 1.00 0.00 C ATOM 1400 OD1 ASP A 90 -10.830 1.783 -5.226 1.00 0.00 O ATOM 1401 OD2 ASP A 90 -11.675 1.467 -7.151 1.00 0.00 O ATOM 0 H ASP A 90 -9.334 4.386 -8.319 1.00 0.00 H new ATOM 0 HA ASP A 90 -8.664 3.307 -5.662 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -9.440 1.708 -8.137 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -8.712 1.014 -6.702 1.00 0.00 H new ATOM 1406 N ASN A 91 -6.324 2.758 -6.413 1.00 0.00 N ATOM 1407 CA ASN A 91 -4.917 2.698 -6.792 1.00 0.00 C ATOM 1408 C ASN A 91 -4.698 1.723 -7.941 1.00 0.00 C ATOM 1409 O ASN A 91 -5.195 0.597 -7.916 1.00 0.00 O ATOM 1410 CB ASN A 91 -4.059 2.319 -5.599 1.00 0.00 C ATOM 1411 CG ASN A 91 -2.595 2.254 -5.937 1.00 0.00 C ATOM 1412 OD1 ASN A 91 -1.991 1.175 -5.926 1.00 0.00 O ATOM 1413 ND2 ASN A 91 -2.014 3.387 -6.239 1.00 0.00 N ATOM 0 H ASN A 91 -6.515 2.464 -5.455 1.00 0.00 H new ATOM 0 HA ASN A 91 -4.618 3.690 -7.132 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -4.212 3.045 -4.801 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -4.383 1.351 -5.216 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -1.023 3.404 -6.478 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -2.553 4.253 -6.235 1.00 0.00 H new ATOM 1420 N ALA A 92 -3.951 2.162 -8.948 1.00 0.00 N ATOM 1421 CA ALA A 92 -3.716 1.352 -10.138 1.00 0.00 C ATOM 1422 C ALA A 92 -2.658 0.287 -9.879 1.00 0.00 C ATOM 1423 O ALA A 92 -1.535 0.381 -10.374 1.00 0.00 O ATOM 1424 CB ALA A 92 -3.304 2.234 -11.307 1.00 0.00 C ATOM 0 H ALA A 92 -3.497 3.075 -8.964 1.00 0.00 H new ATOM 0 HA ALA A 92 -4.648 0.847 -10.390 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.132 1.615 -12.187 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -4.096 2.952 -11.518 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -2.388 2.768 -11.055 1.00 0.00 H new ATOM 1430 N ALA A 93 -3.024 -0.727 -9.102 1.00 0.00 N ATOM 1431 CA ALA A 93 -2.113 -1.822 -8.792 1.00 0.00 C ATOM 1432 C ALA A 93 -2.460 -3.070 -9.594 1.00 0.00 C ATOM 1433 O ALA A 93 -1.656 -3.996 -9.698 1.00 0.00 O ATOM 1434 CB ALA A 93 -2.138 -2.127 -7.302 1.00 0.00 C ATOM 0 H ALA A 93 -3.946 -0.813 -8.675 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.106 -1.511 -9.071 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.453 -2.947 -7.087 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.832 -1.242 -6.744 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -3.148 -2.411 -7.006 1.00 0.00 H new