USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 548 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 61 HIS : no HD1:sc= 0.431 K(o=0.43,f=-2.8!) USER MOD Set 1.2: A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -4.73! C(o=-4.7!,f=-2.4!) USER MOD Single : A 11 ASN : amide:sc= -2.25! K(o=-2.3!,f=-0.15) USER MOD Single : A 25 THR OG1 : rot -76:sc= 0.884 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0217 USER MOD Single : A 32 LYS NZ :NH3+ -159:sc= 1.27 (180deg=1.08) USER MOD Single : A 34 LYS NZ :NH3+ -138:sc= 1.22 (180deg=0.591) USER MOD Single : A 39 LYS NZ :NH3+ -171:sc= -0.0191 (180deg=-0.172) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 56:sc= 0.279 USER MOD Single : A 50 GLN : amide:sc= -0.864 K(o=-0.86,f=-0.051) USER MOD Single : A 51 LYS NZ :NH3+ -163:sc= -0.0833 (180deg=-0.461) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -3.19! C(o=-3.2!,f=-5.5!) USER MOD Single : A 60 GLN : amide:sc= -0.668 K(o=-0.67,f=-1.8) USER MOD Single : A 65 THR OG1 : rot -27:sc= 0.573 USER MOD Single : A 67 CYS SG : rot 180:sc= -0.0168 USER MOD Single : A 75 LYS NZ :NH3+ -148:sc= 2.22 (180deg=1.5) USER MOD Single : A 76 TYR OH : rot 47:sc= 1.28 USER MOD Single : A 78 GLN : amide:sc= -1.05 K(o=-1,f=-0.0051) USER MOD Single : A 80 TYR OH : rot 30:sc=-0.00191 USER MOD ----------------------------------------------------------------- ATOM 134 N GLN A 9 0.398 13.229 -11.086 1.00 0.00 N ATOM 135 CA GLN A 9 0.671 12.160 -10.144 1.00 0.00 C ATOM 136 C GLN A 9 2.156 11.850 -10.129 1.00 0.00 C ATOM 137 O GLN A 9 2.826 11.917 -11.163 1.00 0.00 O ATOM 138 CB GLN A 9 -0.125 10.902 -10.506 1.00 0.00 C ATOM 139 CG GLN A 9 -1.632 11.105 -10.495 1.00 0.00 C ATOM 140 CD GLN A 9 -2.173 11.470 -9.129 1.00 0.00 C ATOM 141 OE1 GLN A 9 -2.239 12.642 -8.757 1.00 0.00 O ATOM 142 NE2 GLN A 9 -2.578 10.462 -8.381 1.00 0.00 N ATOM 0 HA GLN A 9 0.364 12.487 -9.151 1.00 0.00 H new ATOM 0 HB2 GLN A 9 0.179 10.563 -11.496 1.00 0.00 H new ATOM 0 HB3 GLN A 9 0.130 10.107 -9.805 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -1.892 11.891 -11.204 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -2.118 10.192 -10.839 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -2.505 9.506 -8.730 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -2.965 10.638 -7.454 1.00 0.00 H new ATOM 151 N ASP A 10 2.667 11.529 -8.955 1.00 0.00 N ATOM 152 CA ASP A 10 4.068 11.185 -8.812 1.00 0.00 C ATOM 153 C ASP A 10 4.302 9.794 -9.370 1.00 0.00 C ATOM 154 O ASP A 10 3.388 8.966 -9.392 1.00 0.00 O ATOM 155 CB ASP A 10 4.504 11.236 -7.343 1.00 0.00 C ATOM 156 CG ASP A 10 4.297 12.595 -6.708 1.00 0.00 C ATOM 157 OD1 ASP A 10 5.169 13.473 -6.867 1.00 0.00 O ATOM 158 OD2 ASP A 10 3.253 12.792 -6.049 1.00 0.00 O ATOM 0 H ASP A 10 2.132 11.499 -8.087 1.00 0.00 H new ATOM 0 HA ASP A 10 4.662 11.912 -9.365 1.00 0.00 H new ATOM 0 HB2 ASP A 10 3.946 10.489 -6.779 1.00 0.00 H new ATOM 0 HB3 ASP A 10 5.558 10.966 -7.274 1.00 0.00 H new ATOM 163 N ASN A 11 5.513 9.536 -9.830 1.00 0.00 N ATOM 164 CA ASN A 11 5.854 8.212 -10.320 1.00 0.00 C ATOM 165 C ASN A 11 6.744 7.514 -9.306 1.00 0.00 C ATOM 166 O ASN A 11 7.842 7.972 -8.985 1.00 0.00 O ATOM 167 CB ASN A 11 6.507 8.245 -11.721 1.00 0.00 C ATOM 168 CG ASN A 11 7.944 8.760 -11.761 1.00 0.00 C ATOM 169 OD1 ASN A 11 8.802 8.153 -12.404 1.00 0.00 O ATOM 170 ND2 ASN A 11 8.212 9.905 -11.151 1.00 0.00 N ATOM 0 H ASN A 11 6.270 10.218 -9.875 1.00 0.00 H new ATOM 0 HA ASN A 11 4.930 7.646 -10.438 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.488 7.237 -12.136 1.00 0.00 H new ATOM 0 HB3 ASN A 11 5.897 8.870 -12.373 1.00 0.00 H new ATOM 0 HD21 ASN A 11 9.148 10.306 -11.207 1.00 0.00 H new ATOM 0 HD22 ASN A 11 7.482 10.386 -10.626 1.00 0.00 H new ATOM 177 N PHE A 12 6.241 6.423 -8.767 1.00 0.00 N ATOM 178 CA PHE A 12 6.931 5.720 -7.708 1.00 0.00 C ATOM 179 C PHE A 12 7.656 4.513 -8.264 1.00 0.00 C ATOM 180 O PHE A 12 7.088 3.741 -9.039 1.00 0.00 O ATOM 181 CB PHE A 12 5.941 5.297 -6.624 1.00 0.00 C ATOM 182 CG PHE A 12 5.149 6.450 -6.072 1.00 0.00 C ATOM 183 CD1 PHE A 12 5.726 7.338 -5.181 1.00 0.00 C ATOM 184 CD2 PHE A 12 3.832 6.649 -6.452 1.00 0.00 C ATOM 185 CE1 PHE A 12 5.004 8.405 -4.676 1.00 0.00 C ATOM 186 CE2 PHE A 12 3.106 7.713 -5.953 1.00 0.00 C ATOM 187 CZ PHE A 12 3.691 8.591 -5.063 1.00 0.00 C ATOM 0 H PHE A 12 5.354 6.004 -9.046 1.00 0.00 H new ATOM 0 HA PHE A 12 7.667 6.390 -7.264 1.00 0.00 H new ATOM 0 HB2 PHE A 12 5.256 4.556 -7.034 1.00 0.00 H new ATOM 0 HB3 PHE A 12 6.484 4.814 -5.812 1.00 0.00 H new ATOM 0 HD1 PHE A 12 6.752 7.196 -4.876 1.00 0.00 H new ATOM 0 HD2 PHE A 12 3.367 5.965 -7.146 1.00 0.00 H new ATOM 0 HE1 PHE A 12 5.466 9.091 -3.981 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.081 7.858 -6.259 1.00 0.00 H new ATOM 0 HZ PHE A 12 3.123 9.422 -4.670 1.00 0.00 H new ATOM 197 N VAL A 13 8.913 4.367 -7.886 1.00 0.00 N ATOM 198 CA VAL A 13 9.706 3.237 -8.324 1.00 0.00 C ATOM 199 C VAL A 13 9.483 2.066 -7.380 1.00 0.00 C ATOM 200 O VAL A 13 9.967 2.065 -6.244 1.00 0.00 O ATOM 201 CB VAL A 13 11.210 3.580 -8.389 1.00 0.00 C ATOM 202 CG1 VAL A 13 11.998 2.431 -9.002 1.00 0.00 C ATOM 203 CG2 VAL A 13 11.438 4.867 -9.171 1.00 0.00 C ATOM 0 H VAL A 13 9.406 5.019 -7.276 1.00 0.00 H new ATOM 0 HA VAL A 13 9.386 2.971 -9.332 1.00 0.00 H new ATOM 0 HB VAL A 13 11.567 3.734 -7.371 1.00 0.00 H new ATOM 0 HG11 VAL A 13 13.055 2.694 -9.038 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.867 1.535 -8.395 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.637 2.240 -10.012 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.505 5.089 -9.204 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.061 4.747 -10.187 1.00 0.00 H new ATOM 0 HG23 VAL A 13 10.912 5.687 -8.683 1.00 0.00 H new ATOM 213 N VAL A 14 8.714 1.098 -7.840 1.00 0.00 N ATOM 214 CA VAL A 14 8.354 -0.053 -7.032 1.00 0.00 C ATOM 215 C VAL A 14 9.021 -1.308 -7.573 1.00 0.00 C ATOM 216 O VAL A 14 9.034 -1.545 -8.780 1.00 0.00 O ATOM 217 CB VAL A 14 6.822 -0.251 -6.997 1.00 0.00 C ATOM 218 CG1 VAL A 14 6.445 -1.454 -6.148 1.00 0.00 C ATOM 219 CG2 VAL A 14 6.136 1.003 -6.474 1.00 0.00 C ATOM 0 H VAL A 14 8.322 1.086 -8.781 1.00 0.00 H new ATOM 0 HA VAL A 14 8.702 0.130 -6.016 1.00 0.00 H new ATOM 0 HB VAL A 14 6.483 -0.437 -8.016 1.00 0.00 H new ATOM 0 HG11 VAL A 14 5.361 -1.569 -6.141 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.903 -2.351 -6.565 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.800 -1.305 -5.128 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.057 0.847 -6.456 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.489 1.217 -5.465 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.370 1.845 -7.126 1.00 0.00 H new ATOM 229 N LEU A 15 9.592 -2.098 -6.677 1.00 0.00 N ATOM 230 CA LEU A 15 10.264 -3.327 -7.061 1.00 0.00 C ATOM 231 C LEU A 15 9.556 -4.523 -6.443 1.00 0.00 C ATOM 232 O LEU A 15 9.310 -4.551 -5.235 1.00 0.00 O ATOM 233 CB LEU A 15 11.727 -3.294 -6.605 1.00 0.00 C ATOM 234 CG LEU A 15 12.541 -2.090 -7.093 1.00 0.00 C ATOM 235 CD1 LEU A 15 13.951 -2.135 -6.523 1.00 0.00 C ATOM 236 CD2 LEU A 15 12.587 -2.053 -8.614 1.00 0.00 C ATOM 0 H LEU A 15 9.603 -1.908 -5.675 1.00 0.00 H new ATOM 0 HA LEU A 15 10.234 -3.418 -8.147 1.00 0.00 H new ATOM 0 HB2 LEU A 15 11.751 -3.309 -5.515 1.00 0.00 H new ATOM 0 HB3 LEU A 15 12.217 -4.205 -6.947 1.00 0.00 H new ATOM 0 HG LEU A 15 12.052 -1.182 -6.741 1.00 0.00 H new ATOM 0 HD11 LEU A 15 14.515 -1.273 -6.879 1.00 0.00 H new ATOM 0 HD12 LEU A 15 13.904 -2.113 -5.434 1.00 0.00 H new ATOM 0 HD13 LEU A 15 14.445 -3.051 -6.846 1.00 0.00 H new ATOM 0 HD21 LEU A 15 13.169 -1.191 -8.940 1.00 0.00 H new ATOM 0 HD22 LEU A 15 13.051 -2.966 -8.986 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.573 -1.975 -9.007 1.00 0.00 H new ATOM 248 N GLU A 16 9.218 -5.503 -7.266 1.00 0.00 N ATOM 249 CA GLU A 16 8.562 -6.705 -6.775 1.00 0.00 C ATOM 250 C GLU A 16 9.417 -7.944 -6.994 1.00 0.00 C ATOM 251 O GLU A 16 10.328 -7.958 -7.829 1.00 0.00 O ATOM 252 CB GLU A 16 7.195 -6.908 -7.427 1.00 0.00 C ATOM 253 CG GLU A 16 6.119 -5.984 -6.892 1.00 0.00 C ATOM 254 CD GLU A 16 4.727 -6.452 -7.257 1.00 0.00 C ATOM 255 OE1 GLU A 16 4.190 -7.343 -6.559 1.00 0.00 O ATOM 256 OE2 GLU A 16 4.165 -5.938 -8.244 1.00 0.00 O ATOM 0 H GLU A 16 9.386 -5.491 -8.272 1.00 0.00 H new ATOM 0 HA GLU A 16 8.422 -6.562 -5.703 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.290 -6.756 -8.502 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.881 -7.941 -7.277 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.205 -5.919 -5.807 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.277 -4.980 -7.285 1.00 0.00 H new ATOM 354 N PHE A 23 8.221 1.712 -12.694 1.00 0.00 N ATOM 355 CA PHE A 23 7.516 2.824 -12.076 1.00 0.00 C ATOM 356 C PHE A 23 6.038 2.792 -12.433 1.00 0.00 C ATOM 357 O PHE A 23 5.650 2.244 -13.467 1.00 0.00 O ATOM 358 CB PHE A 23 8.136 4.166 -12.502 1.00 0.00 C ATOM 359 CG PHE A 23 8.058 4.443 -13.982 1.00 0.00 C ATOM 360 CD1 PHE A 23 9.023 3.952 -14.847 1.00 0.00 C ATOM 361 CD2 PHE A 23 7.019 5.198 -14.506 1.00 0.00 C ATOM 362 CE1 PHE A 23 8.954 4.205 -16.203 1.00 0.00 C ATOM 363 CE2 PHE A 23 6.944 5.454 -15.862 1.00 0.00 C ATOM 364 CZ PHE A 23 7.913 4.956 -16.712 1.00 0.00 C ATOM 0 HA PHE A 23 7.613 2.724 -10.995 1.00 0.00 H new ATOM 0 HB2 PHE A 23 7.633 4.971 -11.966 1.00 0.00 H new ATOM 0 HB3 PHE A 23 9.182 4.183 -12.196 1.00 0.00 H new ATOM 0 HD1 PHE A 23 9.840 3.364 -14.456 1.00 0.00 H new ATOM 0 HD2 PHE A 23 6.259 5.591 -13.846 1.00 0.00 H new ATOM 0 HE1 PHE A 23 9.714 3.816 -16.865 1.00 0.00 H new ATOM 0 HE2 PHE A 23 6.129 6.043 -16.257 1.00 0.00 H new ATOM 0 HZ PHE A 23 7.856 5.154 -17.772 1.00 0.00 H new ATOM 374 N LEU A 24 5.227 3.367 -11.562 1.00 0.00 N ATOM 375 CA LEU A 24 3.794 3.496 -11.794 1.00 0.00 C ATOM 376 C LEU A 24 3.269 4.728 -11.063 1.00 0.00 C ATOM 377 O LEU A 24 3.948 5.261 -10.177 1.00 0.00 O ATOM 378 CB LEU A 24 3.030 2.232 -11.354 1.00 0.00 C ATOM 379 CG LEU A 24 3.117 1.853 -9.867 1.00 0.00 C ATOM 380 CD1 LEU A 24 2.072 0.799 -9.535 1.00 0.00 C ATOM 381 CD2 LEU A 24 4.498 1.326 -9.514 1.00 0.00 C ATOM 0 H LEU A 24 5.541 3.758 -10.674 1.00 0.00 H new ATOM 0 HA LEU A 24 3.628 3.613 -12.865 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.979 2.364 -11.610 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.398 1.391 -11.941 1.00 0.00 H new ATOM 0 HG LEU A 24 2.930 2.753 -9.281 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.142 0.537 -8.479 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.078 1.193 -9.746 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.246 -0.090 -10.141 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.529 1.066 -8.456 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.713 0.440 -10.111 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.244 2.093 -9.721 1.00 0.00 H new ATOM 393 N THR A 25 2.081 5.188 -11.436 1.00 0.00 N ATOM 394 CA THR A 25 1.535 6.416 -10.869 1.00 0.00 C ATOM 395 C THR A 25 0.918 6.186 -9.493 1.00 0.00 C ATOM 396 O THR A 25 0.710 5.046 -9.065 1.00 0.00 O ATOM 397 CB THR A 25 0.473 7.053 -11.790 1.00 0.00 C ATOM 398 OG1 THR A 25 -0.558 6.103 -12.083 1.00 0.00 O ATOM 399 CG2 THR A 25 1.101 7.548 -13.086 1.00 0.00 C ATOM 0 H THR A 25 1.480 4.733 -12.124 1.00 0.00 H new ATOM 0 HA THR A 25 2.380 7.098 -10.771 1.00 0.00 H new ATOM 0 HB THR A 25 0.040 7.907 -11.268 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.229 5.455 -12.740 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.331 7.992 -13.717 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.861 8.296 -12.860 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.561 6.711 -13.610 1.00 0.00 H new ATOM 407 N THR A 26 0.634 7.290 -8.813 1.00 0.00 N ATOM 408 CA THR A 26 -0.033 7.288 -7.519 1.00 0.00 C ATOM 409 C THR A 26 -1.291 6.415 -7.527 1.00 0.00 C ATOM 410 O THR A 26 -1.527 5.637 -6.604 1.00 0.00 O ATOM 411 CB THR A 26 -0.425 8.726 -7.145 1.00 0.00 C ATOM 412 OG1 THR A 26 0.684 9.606 -7.364 1.00 0.00 O ATOM 413 CG2 THR A 26 -0.874 8.823 -5.699 1.00 0.00 C ATOM 0 H THR A 26 0.864 8.225 -9.151 1.00 0.00 H new ATOM 0 HA THR A 26 0.662 6.875 -6.788 1.00 0.00 H new ATOM 0 HB THR A 26 -1.261 9.020 -7.780 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.427 10.521 -7.125 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.143 9.854 -5.470 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.739 8.179 -5.543 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.062 8.506 -5.044 1.00 0.00 H new ATOM 421 N ILE A 27 -2.081 6.535 -8.590 1.00 0.00 N ATOM 422 CA ILE A 27 -3.350 5.822 -8.693 1.00 0.00 C ATOM 423 C ILE A 27 -3.120 4.316 -8.809 1.00 0.00 C ATOM 424 O ILE A 27 -3.830 3.517 -8.199 1.00 0.00 O ATOM 425 CB ILE A 27 -4.170 6.315 -9.908 1.00 0.00 C ATOM 426 CG1 ILE A 27 -4.463 7.815 -9.781 1.00 0.00 C ATOM 427 CG2 ILE A 27 -5.469 5.527 -10.048 1.00 0.00 C ATOM 428 CD1 ILE A 27 -5.249 8.186 -8.538 1.00 0.00 C ATOM 0 H ILE A 27 -1.863 7.122 -9.395 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.914 6.027 -7.783 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.577 6.150 -10.807 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.519 8.360 -9.778 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -5.018 8.142 -10.660 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.026 5.894 -10.910 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.240 4.470 -10.187 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -6.070 5.653 -9.147 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -5.416 9.263 -8.521 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -6.209 7.670 -8.547 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.688 7.892 -7.651 1.00 0.00 H new ATOM 440 N GLU A 28 -2.107 3.941 -9.574 1.00 0.00 N ATOM 441 CA GLU A 28 -1.795 2.536 -9.796 1.00 0.00 C ATOM 442 C GLU A 28 -1.209 1.907 -8.538 1.00 0.00 C ATOM 443 O GLU A 28 -1.539 0.772 -8.188 1.00 0.00 O ATOM 444 CB GLU A 28 -0.828 2.400 -10.966 1.00 0.00 C ATOM 445 CG GLU A 28 -1.366 3.001 -12.246 1.00 0.00 C ATOM 446 CD GLU A 28 -0.337 3.027 -13.348 1.00 0.00 C ATOM 447 OE1 GLU A 28 0.407 4.026 -13.448 1.00 0.00 O ATOM 448 OE2 GLU A 28 -0.272 2.053 -14.125 1.00 0.00 O ATOM 0 H GLU A 28 -1.485 4.591 -10.053 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.717 2.006 -10.037 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.114 2.885 -10.711 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.609 1.345 -11.130 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.233 2.429 -12.576 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.710 4.017 -12.050 1.00 0.00 H new ATOM 455 N LEU A 29 -0.345 2.650 -7.854 1.00 0.00 N ATOM 456 CA LEU A 29 0.230 2.184 -6.598 1.00 0.00 C ATOM 457 C LEU A 29 -0.870 1.978 -5.566 1.00 0.00 C ATOM 458 O LEU A 29 -0.819 1.038 -4.771 1.00 0.00 O ATOM 459 CB LEU A 29 1.274 3.175 -6.076 1.00 0.00 C ATOM 460 CG LEU A 29 2.011 2.731 -4.809 1.00 0.00 C ATOM 461 CD1 LEU A 29 2.732 1.413 -5.038 1.00 0.00 C ATOM 462 CD2 LEU A 29 2.991 3.797 -4.359 1.00 0.00 C ATOM 0 H LEU A 29 -0.029 3.574 -8.147 1.00 0.00 H new ATOM 0 HA LEU A 29 0.728 1.232 -6.778 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.008 3.354 -6.862 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.782 4.127 -5.877 1.00 0.00 H new ATOM 0 HG LEU A 29 1.272 2.586 -4.021 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.248 1.117 -4.125 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.008 0.645 -5.311 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.457 1.530 -5.843 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.504 3.462 -3.458 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.722 3.975 -5.148 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.452 4.721 -4.148 1.00 0.00 H new ATOM 474 N LEU A 30 -1.868 2.859 -5.591 1.00 0.00 N ATOM 475 CA LEU A 30 -3.054 2.700 -4.761 1.00 0.00 C ATOM 476 C LEU A 30 -3.686 1.337 -4.993 1.00 0.00 C ATOM 477 O LEU A 30 -3.823 0.547 -4.061 1.00 0.00 O ATOM 478 CB LEU A 30 -4.078 3.799 -5.059 1.00 0.00 C ATOM 479 CG LEU A 30 -3.865 5.114 -4.311 1.00 0.00 C ATOM 480 CD1 LEU A 30 -4.765 6.202 -4.873 1.00 0.00 C ATOM 481 CD2 LEU A 30 -4.139 4.920 -2.828 1.00 0.00 C ATOM 0 H LEU A 30 -1.876 3.692 -6.180 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.747 2.779 -3.718 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.065 4.003 -6.130 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.072 3.421 -4.819 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.828 5.424 -4.443 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.598 7.130 -4.327 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.536 6.355 -5.928 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.808 5.902 -4.768 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.985 5.863 -2.303 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.169 4.591 -2.688 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.460 4.167 -2.428 1.00 0.00 H new ATOM 493 N GLU A 31 -4.049 1.066 -6.244 1.00 0.00 N ATOM 494 CA GLU A 31 -4.705 -0.187 -6.612 1.00 0.00 C ATOM 495 C GLU A 31 -3.876 -1.404 -6.220 1.00 0.00 C ATOM 496 O GLU A 31 -4.421 -2.409 -5.752 1.00 0.00 O ATOM 497 CB GLU A 31 -5.005 -0.212 -8.110 1.00 0.00 C ATOM 498 CG GLU A 31 -6.291 0.509 -8.478 1.00 0.00 C ATOM 499 CD GLU A 31 -7.521 -0.309 -8.143 1.00 0.00 C ATOM 500 OE1 GLU A 31 -7.801 -0.523 -6.944 1.00 0.00 O ATOM 501 OE2 GLU A 31 -8.212 -0.756 -9.082 1.00 0.00 O ATOM 0 H GLU A 31 -3.899 1.703 -7.026 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.642 -0.237 -6.058 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.174 0.245 -8.647 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.069 -1.248 -8.443 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.335 1.462 -7.950 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.286 0.735 -9.544 1.00 0.00 H new ATOM 508 N LYS A 32 -2.566 -1.316 -6.404 1.00 0.00 N ATOM 509 CA LYS A 32 -1.675 -2.403 -6.026 1.00 0.00 C ATOM 510 C LYS A 32 -1.687 -2.609 -4.513 1.00 0.00 C ATOM 511 O LYS A 32 -1.839 -3.732 -4.030 1.00 0.00 O ATOM 512 CB LYS A 32 -0.250 -2.126 -6.520 1.00 0.00 C ATOM 513 CG LYS A 32 0.762 -3.177 -6.089 1.00 0.00 C ATOM 514 CD LYS A 32 2.097 -3.012 -6.806 1.00 0.00 C ATOM 515 CE LYS A 32 1.952 -3.235 -8.303 1.00 0.00 C ATOM 516 NZ LYS A 32 3.244 -3.580 -8.948 1.00 0.00 N ATOM 0 H LYS A 32 -2.098 -0.506 -6.811 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.032 -3.318 -6.498 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.257 -2.066 -7.608 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.071 -1.152 -6.150 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.918 -3.110 -5.012 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.362 -4.170 -6.292 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.490 -2.012 -6.622 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.820 -3.719 -6.399 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.234 -4.036 -8.481 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.547 -2.335 -8.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.188 -3.378 -9.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.006 -3.014 -8.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.444 -4.591 -8.806 1.00 0.00 H new ATOM 530 N LEU A 33 -1.554 -1.517 -3.769 1.00 0.00 N ATOM 531 CA LEU A 33 -1.503 -1.590 -2.317 1.00 0.00 C ATOM 532 C LEU A 33 -2.832 -2.035 -1.725 1.00 0.00 C ATOM 533 O LEU A 33 -2.863 -2.931 -0.893 1.00 0.00 O ATOM 534 CB LEU A 33 -1.087 -0.245 -1.719 1.00 0.00 C ATOM 535 CG LEU A 33 0.395 0.095 -1.875 1.00 0.00 C ATOM 536 CD1 LEU A 33 0.697 1.462 -1.286 1.00 0.00 C ATOM 537 CD2 LEU A 33 1.253 -0.973 -1.214 1.00 0.00 C ATOM 0 H LEU A 33 -1.480 -0.573 -4.148 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.754 -2.339 -2.060 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.677 0.543 -2.187 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.336 -0.242 -0.658 1.00 0.00 H new ATOM 0 HG LEU A 33 0.633 0.123 -2.938 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.757 1.684 -1.408 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.106 2.219 -1.802 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.445 1.465 -0.226 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.306 -0.718 -1.333 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.010 -1.029 -0.153 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.058 -1.938 -1.682 1.00 0.00 H new ATOM 549 N LYS A 34 -3.929 -1.424 -2.158 1.00 0.00 N ATOM 550 CA LYS A 34 -5.241 -1.727 -1.588 1.00 0.00 C ATOM 551 C LYS A 34 -5.648 -3.171 -1.871 1.00 0.00 C ATOM 552 O LYS A 34 -6.396 -3.763 -1.099 1.00 0.00 O ATOM 553 CB LYS A 34 -6.304 -0.746 -2.100 1.00 0.00 C ATOM 554 CG LYS A 34 -6.456 -0.730 -3.610 1.00 0.00 C ATOM 555 CD LYS A 34 -7.123 0.549 -4.089 1.00 0.00 C ATOM 556 CE LYS A 34 -8.619 0.544 -3.843 1.00 0.00 C ATOM 557 NZ LYS A 34 -9.312 -0.465 -4.690 1.00 0.00 N ATOM 0 H LYS A 34 -3.939 -0.720 -2.896 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.167 -1.609 -0.507 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.264 -1.001 -1.652 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.050 0.258 -1.760 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.476 -0.827 -4.076 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.046 -1.590 -3.926 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.676 1.402 -3.579 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.933 0.679 -5.154 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.814 0.333 -2.792 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.025 1.534 -4.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.191 -0.057 -5.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.693 -0.741 -5.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.537 -1.303 -4.117 1.00 0.00 H new ATOM 571 N GLY A 35 -5.133 -3.744 -2.956 1.00 0.00 N ATOM 572 CA GLY A 35 -5.425 -5.132 -3.272 1.00 0.00 C ATOM 573 C GLY A 35 -4.726 -6.090 -2.325 1.00 0.00 C ATOM 574 O GLY A 35 -5.316 -7.058 -1.828 1.00 0.00 O ATOM 0 H GLY A 35 -4.520 -3.273 -3.621 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.502 -5.296 -3.224 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.116 -5.344 -4.295 1.00 0.00 H new ATOM 578 N GLU A 36 -3.461 -5.830 -2.056 1.00 0.00 N ATOM 579 CA GLU A 36 -2.715 -6.676 -1.147 1.00 0.00 C ATOM 580 C GLU A 36 -3.030 -6.309 0.300 1.00 0.00 C ATOM 581 O GLU A 36 -2.821 -7.099 1.211 1.00 0.00 O ATOM 582 CB GLU A 36 -1.218 -6.621 -1.457 1.00 0.00 C ATOM 583 CG GLU A 36 -0.923 -7.158 -2.850 1.00 0.00 C ATOM 584 CD GLU A 36 0.519 -7.560 -3.067 1.00 0.00 C ATOM 585 OE1 GLU A 36 1.013 -8.425 -2.321 1.00 0.00 O ATOM 586 OE2 GLU A 36 1.147 -7.049 -4.020 1.00 0.00 O ATOM 0 H GLU A 36 -2.934 -5.050 -2.449 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.024 -7.711 -1.289 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.866 -5.592 -1.379 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.669 -7.203 -0.717 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.561 -8.022 -3.037 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.191 -6.398 -3.584 1.00 0.00 H new ATOM 593 N LEU A 37 -3.570 -5.115 0.492 1.00 0.00 N ATOM 594 CA LEU A 37 -4.033 -4.685 1.802 1.00 0.00 C ATOM 595 C LEU A 37 -5.368 -5.344 2.144 1.00 0.00 C ATOM 596 O LEU A 37 -5.601 -5.715 3.292 1.00 0.00 O ATOM 597 CB LEU A 37 -4.176 -3.160 1.843 1.00 0.00 C ATOM 598 CG LEU A 37 -4.577 -2.572 3.196 1.00 0.00 C ATOM 599 CD1 LEU A 37 -3.515 -2.864 4.245 1.00 0.00 C ATOM 600 CD2 LEU A 37 -4.807 -1.075 3.070 1.00 0.00 C ATOM 0 H LEU A 37 -3.699 -4.424 -0.247 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.294 -4.991 2.542 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.228 -2.716 1.540 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.919 -2.862 1.103 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.507 -3.042 3.516 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.820 -2.437 5.200 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.395 -3.942 4.351 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.567 -2.422 3.936 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.092 -0.668 4.040 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.890 -0.593 2.729 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.604 -0.889 2.350 1.00 0.00 H new ATOM 612 N GLU A 38 -6.243 -5.494 1.146 1.00 0.00 N ATOM 613 CA GLU A 38 -7.553 -6.101 1.375 1.00 0.00 C ATOM 614 C GLU A 38 -7.420 -7.598 1.648 1.00 0.00 C ATOM 615 O GLU A 38 -8.225 -8.171 2.382 1.00 0.00 O ATOM 616 CB GLU A 38 -8.503 -5.860 0.192 1.00 0.00 C ATOM 617 CG GLU A 38 -8.075 -6.547 -1.090 1.00 0.00 C ATOM 618 CD GLU A 38 -9.047 -6.342 -2.233 1.00 0.00 C ATOM 619 OE1 GLU A 38 -8.901 -5.352 -2.976 1.00 0.00 O ATOM 620 OE2 GLU A 38 -9.948 -7.191 -2.407 1.00 0.00 O ATOM 0 H GLU A 38 -6.070 -5.207 0.183 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.982 -5.621 2.255 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.500 -6.207 0.463 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.577 -4.788 0.011 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.094 -6.173 -1.385 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.966 -7.615 -0.903 1.00 0.00 H new ATOM 627 N LYS A 39 -6.408 -8.240 1.059 1.00 0.00 N ATOM 628 CA LYS A 39 -6.154 -9.649 1.356 1.00 0.00 C ATOM 629 C LYS A 39 -5.405 -9.804 2.683 1.00 0.00 C ATOM 630 O LYS A 39 -5.298 -10.906 3.221 1.00 0.00 O ATOM 631 CB LYS A 39 -5.379 -10.333 0.221 1.00 0.00 C ATOM 632 CG LYS A 39 -4.024 -9.713 -0.066 1.00 0.00 C ATOM 633 CD LYS A 39 -3.223 -10.541 -1.061 1.00 0.00 C ATOM 634 CE LYS A 39 -3.944 -10.689 -2.394 1.00 0.00 C ATOM 635 NZ LYS A 39 -4.026 -9.405 -3.140 1.00 0.00 N ATOM 0 H LYS A 39 -5.765 -7.818 0.389 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.122 -10.141 1.446 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.239 -11.384 0.473 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.981 -10.300 -0.687 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.161 -8.705 -0.459 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.463 -9.619 0.864 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.253 -10.072 -1.224 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.033 -11.528 -0.640 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.425 -11.428 -3.004 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.950 -11.069 -2.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.653 -9.520 -3.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.406 -8.665 -2.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.077 -9.131 -3.464 1.00 0.00 H new ATOM 649 N ILE A 40 -4.892 -8.699 3.206 1.00 0.00 N ATOM 650 CA ILE A 40 -4.223 -8.709 4.501 1.00 0.00 C ATOM 651 C ILE A 40 -5.262 -8.640 5.623 1.00 0.00 C ATOM 652 O ILE A 40 -6.302 -7.988 5.479 1.00 0.00 O ATOM 653 CB ILE A 40 -3.191 -7.543 4.618 1.00 0.00 C ATOM 654 CG1 ILE A 40 -1.757 -8.089 4.614 1.00 0.00 C ATOM 655 CG2 ILE A 40 -3.420 -6.689 5.859 1.00 0.00 C ATOM 656 CD1 ILE A 40 -1.347 -8.735 3.311 1.00 0.00 C ATOM 0 H ILE A 40 -4.926 -7.785 2.755 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.666 -9.641 4.595 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.337 -6.903 3.748 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.068 -7.274 4.835 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.655 -8.819 5.417 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.677 -5.892 5.895 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.418 -6.253 5.821 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.329 -7.310 6.750 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.321 -9.095 3.390 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.010 -9.573 3.096 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.414 -8.004 2.505 1.00 0.00 H new ATOM 668 N SER A 41 -4.991 -9.336 6.721 1.00 0.00 N ATOM 669 CA SER A 41 -5.911 -9.376 7.850 1.00 0.00 C ATOM 670 C SER A 41 -5.990 -8.020 8.547 1.00 0.00 C ATOM 671 O SER A 41 -4.987 -7.310 8.676 1.00 0.00 O ATOM 672 CB SER A 41 -5.472 -10.456 8.839 1.00 0.00 C ATOM 673 OG SER A 41 -5.344 -11.710 8.189 1.00 0.00 O ATOM 0 H SER A 41 -4.139 -9.881 6.853 1.00 0.00 H new ATOM 0 HA SER A 41 -6.905 -9.616 7.473 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.520 -10.177 9.291 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.199 -10.533 9.648 1.00 0.00 H new ATOM 0 HG SER A 41 -5.061 -12.387 8.838 1.00 0.00 H new ATOM 679 N PHE A 42 -7.185 -7.686 9.018 1.00 0.00 N ATOM 680 CA PHE A 42 -7.449 -6.400 9.659 1.00 0.00 C ATOM 681 C PHE A 42 -6.733 -6.314 11.007 1.00 0.00 C ATOM 682 O PHE A 42 -6.558 -5.235 11.568 1.00 0.00 O ATOM 683 CB PHE A 42 -8.962 -6.233 9.844 1.00 0.00 C ATOM 684 CG PHE A 42 -9.396 -4.853 10.261 1.00 0.00 C ATOM 685 CD1 PHE A 42 -9.495 -3.833 9.327 1.00 0.00 C ATOM 686 CD2 PHE A 42 -9.717 -4.583 11.581 1.00 0.00 C ATOM 687 CE1 PHE A 42 -9.904 -2.568 9.704 1.00 0.00 C ATOM 688 CE2 PHE A 42 -10.130 -3.321 11.963 1.00 0.00 C ATOM 689 CZ PHE A 42 -10.223 -2.313 11.023 1.00 0.00 C ATOM 0 H PHE A 42 -8.000 -8.298 8.967 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.070 -5.597 9.026 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -9.459 -6.488 8.908 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -9.304 -6.948 10.592 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -9.250 -4.029 8.294 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -9.644 -5.367 12.320 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.974 -1.780 8.968 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -10.380 -3.123 12.995 1.00 0.00 H new ATOM 0 HZ PHE A 42 -10.545 -1.326 11.320 1.00 0.00 H new ATOM 699 N SER A 43 -6.317 -7.466 11.513 1.00 0.00 N ATOM 700 CA SER A 43 -5.617 -7.542 12.787 1.00 0.00 C ATOM 701 C SER A 43 -4.106 -7.431 12.597 1.00 0.00 C ATOM 702 O SER A 43 -3.349 -7.382 13.566 1.00 0.00 O ATOM 703 CB SER A 43 -5.961 -8.865 13.470 1.00 0.00 C ATOM 704 OG SER A 43 -5.875 -9.943 12.545 1.00 0.00 O ATOM 0 H SER A 43 -6.454 -8.368 11.056 1.00 0.00 H new ATOM 0 HA SER A 43 -5.937 -6.707 13.410 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.280 -9.038 14.303 1.00 0.00 H new ATOM 0 HB3 SER A 43 -6.967 -8.815 13.886 1.00 0.00 H new ATOM 0 HG SER A 43 -4.981 -9.959 12.143 1.00 0.00 H new ATOM 710 N ASP A 44 -3.665 -7.395 11.349 1.00 0.00 N ATOM 711 CA ASP A 44 -2.239 -7.407 11.053 1.00 0.00 C ATOM 712 C ASP A 44 -1.777 -6.082 10.471 1.00 0.00 C ATOM 713 O ASP A 44 -0.618 -5.702 10.623 1.00 0.00 O ATOM 714 CB ASP A 44 -1.904 -8.557 10.102 1.00 0.00 C ATOM 715 CG ASP A 44 -2.045 -9.909 10.774 1.00 0.00 C ATOM 716 OD1 ASP A 44 -3.187 -10.317 11.074 1.00 0.00 O ATOM 717 OD2 ASP A 44 -1.011 -10.572 11.010 1.00 0.00 O ATOM 0 H ASP A 44 -4.269 -7.357 10.528 1.00 0.00 H new ATOM 0 HA ASP A 44 -1.705 -7.557 11.991 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -2.562 -8.513 9.234 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.884 -8.439 9.735 1.00 0.00 H new ATOM 722 N LEU A 45 -2.681 -5.377 9.809 1.00 0.00 N ATOM 723 CA LEU A 45 -2.364 -4.058 9.279 1.00 0.00 C ATOM 724 C LEU A 45 -2.271 -3.037 10.419 1.00 0.00 C ATOM 725 O LEU A 45 -2.846 -3.248 11.489 1.00 0.00 O ATOM 726 CB LEU A 45 -3.398 -3.643 8.213 1.00 0.00 C ATOM 727 CG LEU A 45 -4.874 -3.831 8.584 1.00 0.00 C ATOM 728 CD1 LEU A 45 -5.371 -2.694 9.458 1.00 0.00 C ATOM 729 CD2 LEU A 45 -5.724 -3.946 7.331 1.00 0.00 C ATOM 0 H LEU A 45 -3.634 -5.692 9.626 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.391 -4.093 8.790 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.238 -2.592 7.973 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.199 -4.212 7.305 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.961 -4.756 9.155 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.420 -2.856 9.704 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.785 -2.658 10.376 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.265 -1.751 8.922 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.769 -4.079 7.611 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.620 -3.038 6.737 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.394 -4.803 6.745 1.00 0.00 H new ATOM 741 N PRO A 46 -1.503 -1.947 10.220 1.00 0.00 N ATOM 742 CA PRO A 46 -1.319 -0.894 11.234 1.00 0.00 C ATOM 743 C PRO A 46 -2.634 -0.358 11.807 1.00 0.00 C ATOM 744 O PRO A 46 -3.642 -0.269 11.106 1.00 0.00 O ATOM 745 CB PRO A 46 -0.592 0.207 10.465 1.00 0.00 C ATOM 746 CG PRO A 46 0.147 -0.508 9.392 1.00 0.00 C ATOM 747 CD PRO A 46 -0.724 -1.668 8.996 1.00 0.00 C ATOM 0 HA PRO A 46 -0.780 -1.272 12.102 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -1.294 0.929 10.049 1.00 0.00 H new ATOM 0 HB3 PRO A 46 0.088 0.760 11.113 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.334 0.148 8.542 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.118 -0.852 9.749 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.372 -1.415 8.157 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.131 -2.530 8.692 1.00 0.00 H new ATOM 755 N LEU A 47 -2.591 0.037 13.080 1.00 0.00 N ATOM 756 CA LEU A 47 -3.774 0.511 13.796 1.00 0.00 C ATOM 757 C LEU A 47 -4.366 1.754 13.129 1.00 0.00 C ATOM 758 O LEU A 47 -5.583 1.953 13.140 1.00 0.00 O ATOM 759 CB LEU A 47 -3.422 0.818 15.256 1.00 0.00 C ATOM 760 CG LEU A 47 -4.580 1.332 16.116 1.00 0.00 C ATOM 761 CD1 LEU A 47 -5.670 0.279 16.232 1.00 0.00 C ATOM 762 CD2 LEU A 47 -4.081 1.735 17.495 1.00 0.00 C ATOM 0 H LEU A 47 -1.739 0.037 13.641 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.523 -0.280 13.765 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.025 -0.088 15.715 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.623 1.559 15.271 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.003 2.211 15.631 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.484 0.664 16.847 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.049 0.037 15.239 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.260 -0.620 16.693 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.917 2.098 18.093 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.632 0.872 17.986 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.336 2.525 17.396 1.00 0.00 H new ATOM 774 N GLU A 48 -3.503 2.586 12.550 1.00 0.00 N ATOM 775 CA GLU A 48 -3.958 3.775 11.834 1.00 0.00 C ATOM 776 C GLU A 48 -4.919 3.389 10.714 1.00 0.00 C ATOM 777 O GLU A 48 -5.915 4.071 10.472 1.00 0.00 O ATOM 778 CB GLU A 48 -2.776 4.551 11.253 1.00 0.00 C ATOM 779 CG GLU A 48 -1.782 5.020 12.295 1.00 0.00 C ATOM 780 CD GLU A 48 -0.676 5.851 11.687 1.00 0.00 C ATOM 781 OE1 GLU A 48 0.212 5.273 11.024 1.00 0.00 O ATOM 782 OE2 GLU A 48 -0.699 7.085 11.851 1.00 0.00 O ATOM 0 H GLU A 48 -2.491 2.460 12.562 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.478 4.415 12.547 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.260 3.920 10.529 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.154 5.417 10.709 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.301 5.606 13.054 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.351 4.156 12.800 1.00 0.00 H new ATOM 789 N LEU A 49 -4.629 2.275 10.055 1.00 0.00 N ATOM 790 CA LEU A 49 -5.449 1.809 8.947 1.00 0.00 C ATOM 791 C LEU A 49 -6.769 1.247 9.466 1.00 0.00 C ATOM 792 O LEU A 49 -7.797 1.346 8.804 1.00 0.00 O ATOM 793 CB LEU A 49 -4.705 0.746 8.134 1.00 0.00 C ATOM 794 CG LEU A 49 -3.304 1.136 7.649 1.00 0.00 C ATOM 795 CD1 LEU A 49 -2.781 0.103 6.667 1.00 0.00 C ATOM 796 CD2 LEU A 49 -3.313 2.517 7.015 1.00 0.00 C ATOM 0 H LEU A 49 -3.831 1.677 10.270 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.659 2.657 8.295 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.621 -0.155 8.741 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.311 0.490 7.265 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.640 1.166 8.513 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.785 0.392 6.331 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.731 -0.870 7.155 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.451 0.044 5.809 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.307 2.770 6.679 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.992 2.521 6.162 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.646 3.252 7.748 1.00 0.00 H new ATOM 808 N GLN A 50 -6.728 0.674 10.666 1.00 0.00 N ATOM 809 CA GLN A 50 -7.930 0.153 11.313 1.00 0.00 C ATOM 810 C GLN A 50 -8.911 1.283 11.608 1.00 0.00 C ATOM 811 O GLN A 50 -10.124 1.077 11.657 1.00 0.00 O ATOM 812 CB GLN A 50 -7.571 -0.569 12.616 1.00 0.00 C ATOM 813 CG GLN A 50 -6.631 -1.745 12.427 1.00 0.00 C ATOM 814 CD GLN A 50 -6.288 -2.446 13.728 1.00 0.00 C ATOM 815 OE1 GLN A 50 -5.195 -2.986 13.882 1.00 0.00 O ATOM 816 NE2 GLN A 50 -7.223 -2.464 14.668 1.00 0.00 N ATOM 0 H GLN A 50 -5.874 0.558 11.211 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.399 -0.557 10.632 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -7.112 0.144 13.301 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.487 -0.921 13.089 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.087 -2.462 11.744 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.712 -1.396 11.956 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.119 -2.005 14.505 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.046 -2.937 15.554 1.00 0.00 H new ATOM 825 N LYS A 51 -8.374 2.474 11.823 1.00 0.00 N ATOM 826 CA LYS A 51 -9.195 3.645 12.086 1.00 0.00 C ATOM 827 C LYS A 51 -9.696 4.260 10.785 1.00 0.00 C ATOM 828 O LYS A 51 -10.762 4.882 10.753 1.00 0.00 O ATOM 829 CB LYS A 51 -8.400 4.667 12.896 1.00 0.00 C ATOM 830 CG LYS A 51 -8.012 4.152 14.271 1.00 0.00 C ATOM 831 CD LYS A 51 -7.133 5.134 15.025 1.00 0.00 C ATOM 832 CE LYS A 51 -6.835 4.633 16.429 1.00 0.00 C ATOM 833 NZ LYS A 51 -8.076 4.475 17.234 1.00 0.00 N ATOM 0 H LYS A 51 -7.370 2.655 11.820 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.065 3.337 12.666 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.499 4.938 12.346 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.991 5.576 13.007 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -8.914 3.955 14.851 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.486 3.203 14.166 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.199 5.282 14.482 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.628 6.104 15.079 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.315 3.677 16.371 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.164 5.331 16.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.830 4.416 18.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.698 5.293 17.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.568 3.605 16.946 1.00 0.00 H new ATOM 847 N LEU A 52 -8.931 4.077 9.717 1.00 0.00 N ATOM 848 CA LEU A 52 -9.312 4.581 8.405 1.00 0.00 C ATOM 849 C LEU A 52 -10.416 3.724 7.798 1.00 0.00 C ATOM 850 O LEU A 52 -10.189 2.584 7.400 1.00 0.00 O ATOM 851 CB LEU A 52 -8.104 4.622 7.469 1.00 0.00 C ATOM 852 CG LEU A 52 -6.988 5.577 7.894 1.00 0.00 C ATOM 853 CD1 LEU A 52 -5.764 5.400 7.012 1.00 0.00 C ATOM 854 CD2 LEU A 52 -7.476 7.015 7.836 1.00 0.00 C ATOM 0 H LEU A 52 -8.040 3.581 9.734 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.689 5.596 8.531 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.691 3.617 7.390 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.445 4.906 6.473 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.707 5.342 8.921 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.982 6.089 7.332 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.401 4.376 7.095 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.029 5.608 5.975 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.672 7.685 8.141 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.781 7.255 6.817 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.325 7.138 8.508 1.00 0.00 H new ATOM 866 N ASP A 53 -11.612 4.289 7.730 1.00 0.00 N ATOM 867 CA ASP A 53 -12.782 3.576 7.227 1.00 0.00 C ATOM 868 C ASP A 53 -12.663 3.304 5.731 1.00 0.00 C ATOM 869 O ASP A 53 -13.200 2.320 5.222 1.00 0.00 O ATOM 870 CB ASP A 53 -14.050 4.384 7.512 1.00 0.00 C ATOM 871 CG ASP A 53 -15.319 3.662 7.097 1.00 0.00 C ATOM 872 OD1 ASP A 53 -15.724 2.711 7.798 1.00 0.00 O ATOM 873 OD2 ASP A 53 -15.939 4.065 6.087 1.00 0.00 O ATOM 0 H ASP A 53 -11.801 5.249 8.019 1.00 0.00 H new ATOM 0 HA ASP A 53 -12.840 2.617 7.742 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -14.099 4.610 8.577 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.993 5.337 6.987 1.00 0.00 H new ATOM 878 N SER A 54 -11.944 4.166 5.029 1.00 0.00 N ATOM 879 CA SER A 54 -11.810 4.040 3.586 1.00 0.00 C ATOM 880 C SER A 54 -10.537 3.278 3.213 1.00 0.00 C ATOM 881 O SER A 54 -9.447 3.592 3.694 1.00 0.00 O ATOM 882 CB SER A 54 -11.804 5.426 2.941 1.00 0.00 C ATOM 883 OG SER A 54 -13.007 6.128 3.227 1.00 0.00 O ATOM 0 H SER A 54 -11.445 4.958 5.434 1.00 0.00 H new ATOM 0 HA SER A 54 -12.662 3.473 3.212 1.00 0.00 H new ATOM 0 HB2 SER A 54 -10.950 5.997 3.306 1.00 0.00 H new ATOM 0 HB3 SER A 54 -11.684 5.328 1.862 1.00 0.00 H new ATOM 0 HG SER A 54 -12.978 7.012 2.805 1.00 0.00 H new ATOM 889 N LEU A 55 -10.689 2.277 2.352 1.00 0.00 N ATOM 890 CA LEU A 55 -9.564 1.462 1.898 1.00 0.00 C ATOM 891 C LEU A 55 -8.506 2.302 1.154 1.00 0.00 C ATOM 892 O LEU A 55 -7.316 2.176 1.442 1.00 0.00 O ATOM 893 CB LEU A 55 -10.060 0.312 1.011 1.00 0.00 C ATOM 894 CG LEU A 55 -8.994 -0.706 0.598 1.00 0.00 C ATOM 895 CD1 LEU A 55 -8.407 -1.395 1.823 1.00 0.00 C ATOM 896 CD2 LEU A 55 -9.585 -1.728 -0.362 1.00 0.00 C ATOM 0 H LEU A 55 -11.587 2.008 1.951 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.084 1.045 2.783 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.855 -0.214 1.539 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.502 0.736 0.109 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.189 -0.178 0.088 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.651 -2.115 1.508 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.950 -0.651 2.475 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.199 -1.913 2.363 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.816 -2.446 -0.648 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.407 -2.252 0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.955 -1.219 -1.252 1.00 0.00 H new ATOM 908 N PRO A 56 -8.903 3.169 0.188 1.00 0.00 N ATOM 909 CA PRO A 56 -7.951 4.037 -0.524 1.00 0.00 C ATOM 910 C PRO A 56 -7.130 4.915 0.426 1.00 0.00 C ATOM 911 O PRO A 56 -5.935 5.124 0.208 1.00 0.00 O ATOM 912 CB PRO A 56 -8.838 4.911 -1.424 1.00 0.00 C ATOM 913 CG PRO A 56 -10.224 4.739 -0.906 1.00 0.00 C ATOM 914 CD PRO A 56 -10.275 3.361 -0.316 1.00 0.00 C ATOM 0 HA PRO A 56 -7.218 3.449 -1.076 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -8.530 5.956 -1.382 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -8.767 4.599 -2.466 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -10.457 5.494 -0.155 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -10.956 4.849 -1.706 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.013 3.291 0.483 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -10.540 2.612 -1.062 1.00 0.00 H new ATOM 922 N ALA A 57 -7.772 5.410 1.482 1.00 0.00 N ATOM 923 CA ALA A 57 -7.103 6.253 2.471 1.00 0.00 C ATOM 924 C ALA A 57 -5.980 5.489 3.164 1.00 0.00 C ATOM 925 O ALA A 57 -4.904 6.037 3.420 1.00 0.00 O ATOM 926 CB ALA A 57 -8.102 6.765 3.496 1.00 0.00 C ATOM 0 H ALA A 57 -8.759 5.241 1.675 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.667 7.106 1.951 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.587 7.391 4.225 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.871 7.351 2.993 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -8.565 5.920 4.006 1.00 0.00 H new ATOM 932 N GLN A 58 -6.241 4.220 3.460 1.00 0.00 N ATOM 933 CA GLN A 58 -5.250 3.345 4.075 1.00 0.00 C ATOM 934 C GLN A 58 -4.023 3.193 3.180 1.00 0.00 C ATOM 935 O GLN A 58 -2.888 3.385 3.625 1.00 0.00 O ATOM 936 CB GLN A 58 -5.863 1.974 4.355 1.00 0.00 C ATOM 937 CG GLN A 58 -6.875 1.974 5.484 1.00 0.00 C ATOM 938 CD GLN A 58 -7.646 0.676 5.570 1.00 0.00 C ATOM 939 OE1 GLN A 58 -7.204 -0.285 6.195 1.00 0.00 O ATOM 940 NE2 GLN A 58 -8.817 0.649 4.961 1.00 0.00 N ATOM 0 H GLN A 58 -7.140 3.772 3.282 1.00 0.00 H new ATOM 0 HA GLN A 58 -4.934 3.797 5.015 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -6.345 1.610 3.448 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -5.065 1.272 4.595 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -6.361 2.151 6.429 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -7.573 2.799 5.342 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -9.147 1.470 4.453 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -9.392 -0.192 4.999 1.00 0.00 H new ATOM 949 N ALA A 59 -4.263 2.868 1.915 1.00 0.00 N ATOM 950 CA ALA A 59 -3.184 2.688 0.949 1.00 0.00 C ATOM 951 C ALA A 59 -2.414 3.990 0.744 1.00 0.00 C ATOM 952 O ALA A 59 -1.188 3.987 0.616 1.00 0.00 O ATOM 953 CB ALA A 59 -3.742 2.176 -0.373 1.00 0.00 C ATOM 0 H ALA A 59 -5.198 2.723 1.533 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.488 1.947 1.343 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.928 2.046 -1.086 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.240 1.220 -0.212 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.459 2.896 -0.769 1.00 0.00 H new ATOM 959 N GLN A 60 -3.136 5.107 0.739 1.00 0.00 N ATOM 960 CA GLN A 60 -2.517 6.415 0.578 1.00 0.00 C ATOM 961 C GLN A 60 -1.625 6.723 1.777 1.00 0.00 C ATOM 962 O GLN A 60 -0.520 7.238 1.618 1.00 0.00 O ATOM 963 CB GLN A 60 -3.588 7.504 0.406 1.00 0.00 C ATOM 964 CG GLN A 60 -3.076 8.794 -0.230 1.00 0.00 C ATOM 965 CD GLN A 60 -2.207 9.627 0.697 1.00 0.00 C ATOM 966 OE1 GLN A 60 -2.411 9.649 1.911 1.00 0.00 O ATOM 967 NE2 GLN A 60 -1.224 10.310 0.130 1.00 0.00 N ATOM 0 H GLN A 60 -4.150 5.130 0.845 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.901 6.401 -0.321 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.398 7.107 -0.206 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.012 7.738 1.383 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.505 8.546 -1.124 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.928 9.393 -0.552 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.088 10.265 -0.880 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.603 10.881 0.703 1.00 0.00 H new ATOM 976 N HIS A 61 -2.107 6.386 2.975 1.00 0.00 N ATOM 977 CA HIS A 61 -1.345 6.606 4.205 1.00 0.00 C ATOM 978 C HIS A 61 0.018 5.925 4.106 1.00 0.00 C ATOM 979 O HIS A 61 1.029 6.464 4.566 1.00 0.00 O ATOM 980 CB HIS A 61 -2.122 6.067 5.417 1.00 0.00 C ATOM 981 CG HIS A 61 -1.504 6.392 6.749 1.00 0.00 C ATOM 982 ND1 HIS A 61 -1.935 7.432 7.541 1.00 0.00 N ATOM 983 CD2 HIS A 61 -0.506 5.787 7.441 1.00 0.00 C ATOM 984 CE1 HIS A 61 -1.229 7.457 8.655 1.00 0.00 C ATOM 985 NE2 HIS A 61 -0.355 6.468 8.625 1.00 0.00 N ATOM 0 H HIS A 61 -3.022 5.959 3.119 1.00 0.00 H new ATOM 0 HA HIS A 61 -1.194 7.677 4.337 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -3.134 6.470 5.392 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.208 4.984 5.325 1.00 0.00 H new ATOM 0 HD2 HIS A 61 0.065 4.928 7.120 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -1.347 8.169 9.459 1.00 0.00 H new ATOM 0 HE2 HIS A 61 0.319 6.247 9.358 1.00 0.00 H new ATOM 994 N LEU A 62 0.032 4.745 3.500 1.00 0.00 N ATOM 995 CA LEU A 62 1.274 4.031 3.241 1.00 0.00 C ATOM 996 C LEU A 62 2.155 4.839 2.288 1.00 0.00 C ATOM 997 O LEU A 62 3.271 5.224 2.636 1.00 0.00 O ATOM 998 CB LEU A 62 0.980 2.650 2.647 1.00 0.00 C ATOM 999 CG LEU A 62 0.143 1.722 3.529 1.00 0.00 C ATOM 1000 CD1 LEU A 62 -0.203 0.448 2.774 1.00 0.00 C ATOM 1001 CD2 LEU A 62 0.889 1.391 4.814 1.00 0.00 C ATOM 0 H LEU A 62 -0.806 4.261 3.178 1.00 0.00 H new ATOM 0 HA LEU A 62 1.804 3.898 4.184 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.463 2.784 1.697 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.928 2.158 2.428 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.783 2.235 3.791 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.799 -0.203 3.413 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.773 0.699 1.879 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.715 -0.066 2.487 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.279 0.730 5.429 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.829 0.896 4.572 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.094 2.310 5.363 1.00 0.00 H new ATOM 1013 N ILE A 63 1.620 5.133 1.106 1.00 0.00 N ATOM 1014 CA ILE A 63 2.336 5.902 0.085 1.00 0.00 C ATOM 1015 C ILE A 63 2.933 7.184 0.662 1.00 0.00 C ATOM 1016 O ILE A 63 4.043 7.585 0.304 1.00 0.00 O ATOM 1017 CB ILE A 63 1.392 6.286 -1.076 1.00 0.00 C ATOM 1018 CG1 ILE A 63 0.837 5.035 -1.752 1.00 0.00 C ATOM 1019 CG2 ILE A 63 2.111 7.162 -2.093 1.00 0.00 C ATOM 1020 CD1 ILE A 63 -0.282 5.323 -2.726 1.00 0.00 C ATOM 0 H ILE A 63 0.681 4.847 0.827 1.00 0.00 H new ATOM 0 HA ILE A 63 3.140 5.264 -0.281 1.00 0.00 H new ATOM 0 HB ILE A 63 0.560 6.855 -0.661 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.645 4.527 -2.279 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.475 4.349 -0.987 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.426 7.419 -2.901 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.458 8.074 -1.607 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.965 6.621 -2.500 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.628 4.389 -3.169 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.107 5.803 -2.200 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.081 5.985 -3.512 1.00 0.00 H new ATOM 1032 N ASP A 64 2.192 7.804 1.566 1.00 0.00 N ATOM 1033 CA ASP A 64 2.555 9.106 2.092 1.00 0.00 C ATOM 1034 C ASP A 64 3.723 9.037 3.074 1.00 0.00 C ATOM 1035 O ASP A 64 4.735 9.713 2.882 1.00 0.00 O ATOM 1036 CB ASP A 64 1.347 9.755 2.768 1.00 0.00 C ATOM 1037 CG ASP A 64 1.570 11.227 3.033 1.00 0.00 C ATOM 1038 OD1 ASP A 64 1.382 12.033 2.095 1.00 0.00 O ATOM 1039 OD2 ASP A 64 1.945 11.587 4.166 1.00 0.00 O ATOM 0 H ASP A 64 1.329 7.421 1.952 1.00 0.00 H new ATOM 0 HA ASP A 64 2.878 9.713 1.246 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.467 9.629 2.137 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.140 9.244 3.709 1.00 0.00 H new ATOM 1044 N THR A 65 3.603 8.220 4.118 1.00 0.00 N ATOM 1045 CA THR A 65 4.580 8.270 5.202 1.00 0.00 C ATOM 1046 C THR A 65 4.894 6.896 5.816 1.00 0.00 C ATOM 1047 O THR A 65 5.728 6.799 6.719 1.00 0.00 O ATOM 1048 CB THR A 65 4.089 9.239 6.310 1.00 0.00 C ATOM 1049 OG1 THR A 65 5.092 9.416 7.319 1.00 0.00 O ATOM 1050 CG2 THR A 65 2.807 8.729 6.956 1.00 0.00 C ATOM 0 H THR A 65 2.859 7.532 4.236 1.00 0.00 H new ATOM 0 HA THR A 65 5.509 8.631 4.761 1.00 0.00 H new ATOM 0 HB THR A 65 3.888 10.199 5.835 1.00 0.00 H new ATOM 0 HG1 THR A 65 5.666 8.622 7.353 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.486 9.428 7.729 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.028 8.642 6.199 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.989 7.752 7.403 1.00 0.00 H new ATOM 1058 N SER A 66 4.270 5.828 5.333 1.00 0.00 N ATOM 1059 CA SER A 66 4.475 4.519 5.947 1.00 0.00 C ATOM 1060 C SER A 66 4.933 3.472 4.932 1.00 0.00 C ATOM 1061 O SER A 66 4.266 3.223 3.935 1.00 0.00 O ATOM 1062 CB SER A 66 3.182 4.056 6.618 1.00 0.00 C ATOM 1063 OG SER A 66 2.740 5.005 7.574 1.00 0.00 O ATOM 0 H SER A 66 3.632 5.838 4.537 1.00 0.00 H new ATOM 0 HA SER A 66 5.265 4.624 6.690 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.409 3.907 5.864 1.00 0.00 H new ATOM 0 HB3 SER A 66 3.344 3.093 7.103 1.00 0.00 H new ATOM 0 HG SER A 66 1.911 4.689 7.989 1.00 0.00 H new ATOM 1069 N CYS A 67 6.057 2.827 5.203 1.00 0.00 N ATOM 1070 CA CYS A 67 6.537 1.781 4.321 1.00 0.00 C ATOM 1071 C CYS A 67 6.914 0.532 5.111 1.00 0.00 C ATOM 1072 O CYS A 67 7.990 0.456 5.704 1.00 0.00 O ATOM 1073 CB CYS A 67 7.735 2.280 3.511 1.00 0.00 C ATOM 1074 SG CYS A 67 7.388 3.750 2.513 1.00 0.00 S ATOM 0 H CYS A 67 6.646 3.008 6.016 1.00 0.00 H new ATOM 0 HA CYS A 67 5.732 1.518 3.634 1.00 0.00 H new ATOM 0 HB2 CYS A 67 8.555 2.502 4.194 1.00 0.00 H new ATOM 0 HB3 CYS A 67 8.075 1.479 2.854 1.00 0.00 H new ATOM 0 HG CYS A 67 8.460 4.098 1.866 1.00 0.00 H new ATOM 1080 N GLU A 68 5.997 -0.427 5.099 1.00 0.00 N ATOM 1081 CA GLU A 68 6.173 -1.746 5.700 1.00 0.00 C ATOM 1082 C GLU A 68 4.963 -2.596 5.341 1.00 0.00 C ATOM 1083 O GLU A 68 3.837 -2.247 5.699 1.00 0.00 O ATOM 1084 CB GLU A 68 6.309 -1.670 7.227 1.00 0.00 C ATOM 1085 CG GLU A 68 7.745 -1.734 7.726 1.00 0.00 C ATOM 1086 CD GLU A 68 8.459 -2.999 7.291 1.00 0.00 C ATOM 1087 OE1 GLU A 68 8.204 -4.066 7.885 1.00 0.00 O ATOM 1088 OE2 GLU A 68 9.278 -2.932 6.353 1.00 0.00 O ATOM 0 H GLU A 68 5.085 -0.307 4.659 1.00 0.00 H new ATOM 0 HA GLU A 68 7.093 -2.185 5.314 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.855 -0.742 7.576 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.744 -2.489 7.673 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.293 -0.867 7.357 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.750 -1.674 8.814 1.00 0.00 H new ATOM 1095 N LEU A 69 5.175 -3.686 4.628 1.00 0.00 N ATOM 1096 CA LEU A 69 4.058 -4.507 4.194 1.00 0.00 C ATOM 1097 C LEU A 69 4.472 -5.963 4.024 1.00 0.00 C ATOM 1098 O LEU A 69 5.237 -6.310 3.120 1.00 0.00 O ATOM 1099 CB LEU A 69 3.480 -3.960 2.885 1.00 0.00 C ATOM 1100 CG LEU A 69 2.162 -4.598 2.436 1.00 0.00 C ATOM 1101 CD1 LEU A 69 1.086 -4.412 3.495 1.00 0.00 C ATOM 1102 CD2 LEU A 69 1.712 -4.002 1.114 1.00 0.00 C ATOM 0 H LEU A 69 6.094 -4.021 4.340 1.00 0.00 H new ATOM 0 HA LEU A 69 3.290 -4.468 4.966 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.326 -2.887 2.995 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.219 -4.097 2.095 1.00 0.00 H new ATOM 0 HG LEU A 69 2.326 -5.667 2.300 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.158 -4.873 3.156 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.406 -4.882 4.425 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.922 -3.348 3.664 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.774 -4.465 0.807 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.566 -2.928 1.230 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.472 -4.185 0.355 1.00 0.00 H new ATOM 1114 N ASP A 70 3.965 -6.807 4.909 1.00 0.00 N ATOM 1115 CA ASP A 70 4.159 -8.244 4.796 1.00 0.00 C ATOM 1116 C ASP A 70 3.044 -8.832 3.943 1.00 0.00 C ATOM 1117 O ASP A 70 1.946 -9.096 4.430 1.00 0.00 O ATOM 1118 CB ASP A 70 4.182 -8.901 6.182 1.00 0.00 C ATOM 1119 CG ASP A 70 4.256 -10.416 6.117 1.00 0.00 C ATOM 1120 OD1 ASP A 70 5.177 -10.947 5.463 1.00 0.00 O ATOM 1121 OD2 ASP A 70 3.391 -11.083 6.726 1.00 0.00 O ATOM 0 H ASP A 70 3.413 -6.520 5.717 1.00 0.00 H new ATOM 0 HA ASP A 70 5.120 -8.440 4.321 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.037 -8.524 6.743 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.287 -8.609 6.732 1.00 0.00 H new ATOM 1126 N VAL A 71 3.326 -8.993 2.659 1.00 0.00 N ATOM 1127 CA VAL A 71 2.328 -9.449 1.701 1.00 0.00 C ATOM 1128 C VAL A 71 2.272 -10.970 1.631 1.00 0.00 C ATOM 1129 O VAL A 71 1.285 -11.547 1.168 1.00 0.00 O ATOM 1130 CB VAL A 71 2.610 -8.879 0.297 1.00 0.00 C ATOM 1131 CG1 VAL A 71 2.458 -7.367 0.297 1.00 0.00 C ATOM 1132 CG2 VAL A 71 4.002 -9.267 -0.179 1.00 0.00 C ATOM 0 H VAL A 71 4.244 -8.813 2.253 1.00 0.00 H new ATOM 0 HA VAL A 71 1.362 -9.083 2.049 1.00 0.00 H new ATOM 0 HB VAL A 71 1.882 -9.306 -0.392 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.661 -6.981 -0.702 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.441 -7.104 0.589 1.00 0.00 H new ATOM 0 HG13 VAL A 71 3.163 -6.930 1.005 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.176 -8.852 -1.172 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.746 -8.874 0.514 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.083 -10.353 -0.220 1.00 0.00 H new ATOM 1142 N GLY A 72 3.336 -11.610 2.093 1.00 0.00 N ATOM 1143 CA GLY A 72 3.388 -13.054 2.085 1.00 0.00 C ATOM 1144 C GLY A 72 3.599 -13.606 0.694 1.00 0.00 C ATOM 1145 O GLY A 72 4.208 -12.947 -0.153 1.00 0.00 O ATOM 0 H GLY A 72 4.165 -11.153 2.473 1.00 0.00 H new ATOM 0 HA2 GLY A 72 4.195 -13.391 2.735 1.00 0.00 H new ATOM 0 HA3 GLY A 72 2.460 -13.452 2.496 1.00 0.00 H new ATOM 1149 N ALA A 73 3.106 -14.823 0.464 1.00 0.00 N ATOM 1150 CA ALA A 73 3.221 -15.494 -0.836 1.00 0.00 C ATOM 1151 C ALA A 73 4.681 -15.707 -1.241 1.00 0.00 C ATOM 1152 O ALA A 73 4.975 -16.037 -2.391 1.00 0.00 O ATOM 1153 CB ALA A 73 2.480 -14.707 -1.912 1.00 0.00 C ATOM 0 H ALA A 73 2.616 -15.372 1.170 1.00 0.00 H new ATOM 0 HA ALA A 73 2.761 -16.477 -0.737 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.576 -15.220 -2.869 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.426 -14.631 -1.646 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.908 -13.708 -1.991 1.00 0.00 H new ATOM 1159 N GLY A 74 5.586 -15.526 -0.290 1.00 0.00 N ATOM 1160 CA GLY A 74 6.996 -15.705 -0.562 1.00 0.00 C ATOM 1161 C GLY A 74 7.638 -14.471 -1.172 1.00 0.00 C ATOM 1162 O GLY A 74 8.811 -14.499 -1.543 1.00 0.00 O ATOM 0 H GLY A 74 5.367 -15.257 0.669 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.511 -15.957 0.365 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.127 -16.549 -1.239 1.00 0.00 H new ATOM 1166 N LYS A 75 6.877 -13.386 -1.277 1.00 0.00 N ATOM 1167 CA LYS A 75 7.398 -12.150 -1.842 1.00 0.00 C ATOM 1168 C LYS A 75 7.290 -11.018 -0.830 1.00 0.00 C ATOM 1169 O LYS A 75 6.641 -11.157 0.210 1.00 0.00 O ATOM 1170 CB LYS A 75 6.642 -11.762 -3.122 1.00 0.00 C ATOM 1171 CG LYS A 75 5.226 -11.259 -2.880 1.00 0.00 C ATOM 1172 CD LYS A 75 4.671 -10.530 -4.096 1.00 0.00 C ATOM 1173 CE LYS A 75 3.381 -9.799 -3.755 1.00 0.00 C ATOM 1174 NZ LYS A 75 2.861 -8.986 -4.889 1.00 0.00 N ATOM 0 H LYS A 75 5.903 -13.339 -0.979 1.00 0.00 H new ATOM 0 HA LYS A 75 8.446 -12.317 -2.092 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.206 -10.989 -3.644 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.600 -12.628 -3.783 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.578 -12.100 -2.633 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.220 -10.589 -2.020 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.409 -9.818 -4.465 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.487 -11.244 -4.899 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.625 -10.526 -3.458 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.553 -9.149 -2.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.372 -8.146 -4.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.653 -8.688 -5.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.194 -9.556 -5.448 1.00 0.00 H new ATOM 1188 N TYR A 76 7.931 -9.904 -1.135 1.00 0.00 N ATOM 1189 CA TYR A 76 7.802 -8.707 -0.323 1.00 0.00 C ATOM 1190 C TYR A 76 7.662 -7.480 -1.203 1.00 0.00 C ATOM 1191 O TYR A 76 8.314 -7.370 -2.240 1.00 0.00 O ATOM 1192 CB TYR A 76 8.980 -8.553 0.640 1.00 0.00 C ATOM 1193 CG TYR A 76 8.695 -9.154 1.996 1.00 0.00 C ATOM 1194 CD1 TYR A 76 7.822 -8.526 2.873 1.00 0.00 C ATOM 1195 CD2 TYR A 76 9.271 -10.356 2.391 1.00 0.00 C ATOM 1196 CE1 TYR A 76 7.534 -9.069 4.107 1.00 0.00 C ATOM 1197 CE2 TYR A 76 8.981 -10.912 3.625 1.00 0.00 C ATOM 1198 CZ TYR A 76 8.113 -10.262 4.479 1.00 0.00 C ATOM 1199 OH TYR A 76 7.801 -10.814 5.701 1.00 0.00 O ATOM 0 H TYR A 76 8.548 -9.803 -1.941 1.00 0.00 H new ATOM 0 HA TYR A 76 6.898 -8.808 0.278 1.00 0.00 H new ATOM 0 HB2 TYR A 76 9.861 -9.030 0.212 1.00 0.00 H new ATOM 0 HB3 TYR A 76 9.215 -7.495 0.756 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.359 -7.594 2.583 1.00 0.00 H new ATOM 0 HD2 TYR A 76 9.954 -10.863 1.726 1.00 0.00 H new ATOM 0 HE1 TYR A 76 6.858 -8.561 4.779 1.00 0.00 H new ATOM 0 HE2 TYR A 76 9.431 -11.849 3.918 1.00 0.00 H new ATOM 0 HH TYR A 76 6.830 -10.797 5.829 1.00 0.00 H new ATOM 1209 N LEU A 77 6.791 -6.574 -0.791 1.00 0.00 N ATOM 1210 CA LEU A 77 6.500 -5.382 -1.565 1.00 0.00 C ATOM 1211 C LEU A 77 6.926 -4.137 -0.801 1.00 0.00 C ATOM 1212 O LEU A 77 6.579 -3.968 0.370 1.00 0.00 O ATOM 1213 CB LEU A 77 5.001 -5.321 -1.884 1.00 0.00 C ATOM 1214 CG LEU A 77 4.542 -4.095 -2.679 1.00 0.00 C ATOM 1215 CD1 LEU A 77 5.215 -4.057 -4.041 1.00 0.00 C ATOM 1216 CD2 LEU A 77 3.027 -4.095 -2.826 1.00 0.00 C ATOM 0 H LEU A 77 6.270 -6.644 0.083 1.00 0.00 H new ATOM 0 HA LEU A 77 7.061 -5.423 -2.499 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.730 -6.216 -2.443 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.447 -5.352 -0.946 1.00 0.00 H new ATOM 0 HG LEU A 77 4.834 -3.199 -2.132 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.876 -3.179 -4.590 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.296 -4.009 -3.911 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.957 -4.956 -4.600 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.716 -3.218 -3.393 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.712 -4.997 -3.351 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.566 -4.071 -1.839 1.00 0.00 H new ATOM 1228 N GLN A 78 7.700 -3.285 -1.455 1.00 0.00 N ATOM 1229 CA GLN A 78 8.086 -2.008 -0.880 1.00 0.00 C ATOM 1230 C GLN A 78 8.370 -1.008 -1.985 1.00 0.00 C ATOM 1231 O GLN A 78 8.629 -1.387 -3.130 1.00 0.00 O ATOM 1232 CB GLN A 78 9.302 -2.148 0.042 1.00 0.00 C ATOM 1233 CG GLN A 78 10.580 -2.578 -0.660 1.00 0.00 C ATOM 1234 CD GLN A 78 11.754 -2.694 0.297 1.00 0.00 C ATOM 1235 OE1 GLN A 78 12.903 -2.458 -0.073 1.00 0.00 O ATOM 1236 NE2 GLN A 78 11.470 -3.067 1.537 1.00 0.00 N ATOM 0 H GLN A 78 8.074 -3.457 -2.388 1.00 0.00 H new ATOM 0 HA GLN A 78 7.256 -1.647 -0.273 1.00 0.00 H new ATOM 0 HB2 GLN A 78 9.478 -1.193 0.537 1.00 0.00 H new ATOM 0 HB3 GLN A 78 9.069 -2.873 0.822 1.00 0.00 H new ATOM 0 HG2 GLN A 78 10.417 -3.538 -1.150 1.00 0.00 H new ATOM 0 HG3 GLN A 78 10.822 -1.858 -1.442 1.00 0.00 H new ATOM 0 HE21 GLN A 78 10.504 -3.254 1.805 1.00 0.00 H new ATOM 0 HE22 GLN A 78 12.218 -3.167 2.223 1.00 0.00 H new ATOM 1245 N TRP A 79 8.312 0.265 -1.636 1.00 0.00 N ATOM 1246 CA TRP A 79 8.472 1.333 -2.602 1.00 0.00 C ATOM 1247 C TRP A 79 9.200 2.508 -1.966 1.00 0.00 C ATOM 1248 O TRP A 79 8.926 2.868 -0.822 1.00 0.00 O ATOM 1249 CB TRP A 79 7.094 1.780 -3.125 1.00 0.00 C ATOM 1250 CG TRP A 79 6.176 2.324 -2.061 1.00 0.00 C ATOM 1251 CD1 TRP A 79 5.885 3.638 -1.824 1.00 0.00 C ATOM 1252 CD2 TRP A 79 5.432 1.572 -1.090 1.00 0.00 C ATOM 1253 NE1 TRP A 79 5.016 3.749 -0.767 1.00 0.00 N ATOM 1254 CE2 TRP A 79 4.725 2.496 -0.299 1.00 0.00 C ATOM 1255 CE3 TRP A 79 5.298 0.207 -0.808 1.00 0.00 C ATOM 1256 CZ2 TRP A 79 3.899 2.101 0.748 1.00 0.00 C ATOM 1257 CZ3 TRP A 79 4.478 -0.182 0.231 1.00 0.00 C ATOM 1258 CH2 TRP A 79 3.787 0.761 0.999 1.00 0.00 C ATOM 0 H TRP A 79 8.154 0.585 -0.680 1.00 0.00 H new ATOM 0 HA TRP A 79 9.065 0.967 -3.440 1.00 0.00 H new ATOM 0 HB2 TRP A 79 7.238 2.543 -3.890 1.00 0.00 H new ATOM 0 HB3 TRP A 79 6.609 0.932 -3.609 1.00 0.00 H new ATOM 0 HD1 TRP A 79 6.282 4.470 -2.387 1.00 0.00 H new ATOM 0 HE1 TRP A 79 4.647 4.623 -0.392 1.00 0.00 H new ATOM 0 HE3 TRP A 79 5.828 -0.529 -1.394 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 3.364 2.827 1.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 4.368 -1.233 0.455 1.00 0.00 H new ATOM 0 HH2 TRP A 79 3.153 0.425 1.806 1.00 0.00 H new ATOM 1269 N TYR A 80 10.145 3.086 -2.688 1.00 0.00 N ATOM 1270 CA TYR A 80 10.792 4.300 -2.227 1.00 0.00 C ATOM 1271 C TYR A 80 10.216 5.500 -2.964 1.00 0.00 C ATOM 1272 O TYR A 80 10.569 5.789 -4.108 1.00 0.00 O ATOM 1273 CB TYR A 80 12.327 4.226 -2.348 1.00 0.00 C ATOM 1274 CG TYR A 80 12.862 3.591 -3.619 1.00 0.00 C ATOM 1275 CD1 TYR A 80 12.939 2.208 -3.748 1.00 0.00 C ATOM 1276 CD2 TYR A 80 13.315 4.373 -4.675 1.00 0.00 C ATOM 1277 CE1 TYR A 80 13.448 1.624 -4.891 1.00 0.00 C ATOM 1278 CE2 TYR A 80 13.831 3.794 -5.818 1.00 0.00 C ATOM 1279 CZ TYR A 80 13.892 2.422 -5.923 1.00 0.00 C ATOM 1280 OH TYR A 80 14.413 1.846 -7.057 1.00 0.00 O ATOM 0 H TYR A 80 10.478 2.738 -3.587 1.00 0.00 H new ATOM 0 HA TYR A 80 10.585 4.416 -1.163 1.00 0.00 H new ATOM 0 HB2 TYR A 80 12.727 5.237 -2.274 1.00 0.00 H new ATOM 0 HB3 TYR A 80 12.713 3.667 -1.495 1.00 0.00 H new ATOM 0 HD1 TYR A 80 12.595 1.580 -2.940 1.00 0.00 H new ATOM 0 HD2 TYR A 80 13.263 5.449 -4.601 1.00 0.00 H new ATOM 0 HE1 TYR A 80 13.498 0.548 -4.976 1.00 0.00 H new ATOM 0 HE2 TYR A 80 14.186 4.415 -6.627 1.00 0.00 H new ATOM 0 HH TYR A 80 13.993 0.973 -7.203 1.00 0.00 H new ATOM 1290 N ALA A 81 9.281 6.164 -2.297 1.00 0.00 N ATOM 1291 CA ALA A 81 8.551 7.273 -2.887 1.00 0.00 C ATOM 1292 C ALA A 81 9.449 8.486 -3.085 1.00 0.00 C ATOM 1293 O ALA A 81 9.995 9.035 -2.126 1.00 0.00 O ATOM 1294 CB ALA A 81 7.354 7.634 -2.019 1.00 0.00 C ATOM 0 H ALA A 81 9.010 5.949 -1.337 1.00 0.00 H new ATOM 0 HA ALA A 81 8.196 6.959 -3.869 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.815 8.466 -2.471 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.691 6.773 -1.938 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.698 7.922 -1.026 1.00 0.00 H new ATOM 1300 N VAL A 82 9.608 8.890 -4.335 1.00 0.00 N ATOM 1301 CA VAL A 82 10.387 10.071 -4.659 1.00 0.00 C ATOM 1302 C VAL A 82 9.477 11.195 -5.150 1.00 0.00 C ATOM 1303 O VAL A 82 8.969 11.164 -6.268 1.00 0.00 O ATOM 1304 CB VAL A 82 11.483 9.771 -5.709 1.00 0.00 C ATOM 1305 CG1 VAL A 82 12.626 8.995 -5.073 1.00 0.00 C ATOM 1306 CG2 VAL A 82 10.917 8.991 -6.892 1.00 0.00 C ATOM 0 H VAL A 82 9.206 8.415 -5.143 1.00 0.00 H new ATOM 0 HA VAL A 82 10.886 10.391 -3.744 1.00 0.00 H new ATOM 0 HB VAL A 82 11.861 10.724 -6.079 1.00 0.00 H new ATOM 0 HG11 VAL A 82 13.389 8.791 -5.824 1.00 0.00 H new ATOM 0 HG12 VAL A 82 13.060 9.584 -4.265 1.00 0.00 H new ATOM 0 HG13 VAL A 82 12.249 8.053 -4.674 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.711 8.796 -7.612 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.505 8.045 -6.540 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.130 9.574 -7.369 1.00 0.00 H new