USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 578 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 134 ASN : amide:sc= 0.676 K(o=1.8,f=-1.5) USER MOD Set 1.2: A 138 GLN :FLIP amide:sc= 1.1 F(o=-1.5,f=1.8) USER MOD Set 2.1: A 79 HIS : no HD1:sc= -0.0317 K(o=1.3,f=-4.8!) USER MOD Set 2.2: A 125 SER OG : rot 83:sc= 1.38 USER MOD Single : A 86 SER OG : rot 122:sc= -1.65 USER MOD Single : A 90 THR OG1 : rot 180:sc=-0.00346 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 MET CE :methyl -179:sc= 0 (180deg=-0.00289) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= 0 X(o=0,f=0.059) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 GLN :FLIP amide:sc= -0.711 F(o=-2.2,f=-0.71) USER MOD Single : A 139 MET CE :methyl -160:sc= -0.951 (180deg=-2.21) USER MOD Single : A 142 GLN : amide:sc= -0.825! C(o=-0.83!,f=-0.66!) USER MOD Single : A 148 GLN : amide:sc= 1.18 K(o=1.2,f=0) USER MOD Single : A 151 THR OG1 : rot 89:sc= -1.87! USER MOD Single : A 152 ASN : amide:sc= -12.6! C(o=-13!,f=-20!) USER MOD ----------------------------------------------------------------- ATOM 195 N PHE A 78 7.457 7.320 -2.066 1.00 0.00 N ATOM 196 CA PHE A 78 6.011 7.506 -2.021 1.00 0.00 C ATOM 197 C PHE A 78 5.327 6.298 -1.386 1.00 0.00 C ATOM 198 O PHE A 78 5.463 5.171 -1.864 1.00 0.00 O ATOM 199 CB PHE A 78 5.461 7.735 -3.430 1.00 0.00 C ATOM 200 CG PHE A 78 5.793 9.089 -3.990 1.00 0.00 C ATOM 201 CD1 PHE A 78 7.098 9.413 -4.326 1.00 0.00 C ATOM 202 CD2 PHE A 78 4.801 10.037 -4.180 1.00 0.00 C ATOM 203 CE1 PHE A 78 7.407 10.657 -4.842 1.00 0.00 C ATOM 204 CE2 PHE A 78 5.104 11.283 -4.696 1.00 0.00 C ATOM 205 CZ PHE A 78 6.409 11.594 -5.026 1.00 0.00 C ATOM 0 HA PHE A 78 5.801 8.384 -1.409 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.858 6.968 -4.095 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.378 7.613 -3.413 1.00 0.00 H new ATOM 0 HD1 PHE A 78 7.883 8.685 -4.183 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.779 9.800 -3.922 1.00 0.00 H new ATOM 0 HE1 PHE A 78 8.428 10.896 -5.101 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.321 12.013 -4.841 1.00 0.00 H new ATOM 0 HZ PHE A 78 6.648 12.568 -5.427 1.00 0.00 H new ATOM 215 N HIS A 79 4.592 6.542 -0.306 1.00 0.00 N ATOM 216 CA HIS A 79 3.886 5.475 0.395 1.00 0.00 C ATOM 217 C HIS A 79 2.561 5.157 -0.292 1.00 0.00 C ATOM 218 O HIS A 79 1.811 6.060 -0.664 1.00 0.00 O ATOM 219 CB HIS A 79 3.638 5.869 1.851 1.00 0.00 C ATOM 220 CG HIS A 79 4.866 6.356 2.557 1.00 0.00 C ATOM 221 ND1 HIS A 79 6.083 6.514 1.928 1.00 0.00 N ATOM 222 CD2 HIS A 79 5.060 6.723 3.845 1.00 0.00 C ATOM 223 CE1 HIS A 79 6.973 6.954 2.800 1.00 0.00 C ATOM 224 NE2 HIS A 79 6.377 7.090 3.971 1.00 0.00 N ATOM 0 H HIS A 79 4.470 7.468 0.103 1.00 0.00 H new ATOM 0 HA HIS A 79 4.511 4.582 0.370 1.00 0.00 H new ATOM 0 HB2 HIS A 79 2.877 6.649 1.883 1.00 0.00 H new ATOM 0 HB3 HIS A 79 3.237 5.010 2.388 1.00 0.00 H new ATOM 0 HD2 HIS A 79 4.317 6.727 4.629 1.00 0.00 H new ATOM 0 HE1 HIS A 79 8.011 7.166 2.591 1.00 0.00 H new ATOM 0 HE2 HIS A 79 6.823 7.415 4.829 1.00 0.00 H new ATOM 232 N VAL A 80 2.278 3.869 -0.456 1.00 0.00 N ATOM 233 CA VAL A 80 1.044 3.433 -1.097 1.00 0.00 C ATOM 234 C VAL A 80 0.144 2.696 -0.112 1.00 0.00 C ATOM 235 O VAL A 80 0.623 1.976 0.765 1.00 0.00 O ATOM 236 CB VAL A 80 1.330 2.514 -2.300 1.00 0.00 C ATOM 237 CG1 VAL A 80 0.061 1.801 -2.741 1.00 0.00 C ATOM 238 CG2 VAL A 80 1.930 3.312 -3.448 1.00 0.00 C ATOM 0 H VAL A 80 2.887 3.109 -0.153 1.00 0.00 H new ATOM 0 HA VAL A 80 0.536 4.331 -1.448 1.00 0.00 H new ATOM 0 HB VAL A 80 2.054 1.759 -1.995 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.283 1.157 -3.592 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.322 1.197 -1.918 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.689 2.538 -3.030 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.126 2.648 -4.290 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.231 4.090 -3.755 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.864 3.771 -3.123 1.00 0.00 H new ATOM 248 N PHE A 81 -1.164 2.880 -0.261 1.00 0.00 N ATOM 249 CA PHE A 81 -2.133 2.233 0.616 1.00 0.00 C ATOM 250 C PHE A 81 -2.675 0.956 -0.021 1.00 0.00 C ATOM 251 O PHE A 81 -2.963 0.919 -1.217 1.00 0.00 O ATOM 252 CB PHE A 81 -3.285 3.188 0.931 1.00 0.00 C ATOM 253 CG PHE A 81 -4.534 2.491 1.389 1.00 0.00 C ATOM 254 CD1 PHE A 81 -4.712 2.166 2.725 1.00 0.00 C ATOM 255 CD2 PHE A 81 -5.530 2.159 0.485 1.00 0.00 C ATOM 256 CE1 PHE A 81 -5.860 1.525 3.150 1.00 0.00 C ATOM 257 CE2 PHE A 81 -6.680 1.518 0.904 1.00 0.00 C ATOM 258 CZ PHE A 81 -6.845 1.199 2.238 1.00 0.00 C ATOM 0 H PHE A 81 -1.577 3.472 -0.981 1.00 0.00 H new ATOM 0 HA PHE A 81 -1.626 1.968 1.544 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -2.965 3.888 1.703 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -3.512 3.776 0.042 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -3.944 2.417 3.442 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -5.406 2.404 -0.559 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -5.987 1.279 4.194 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -7.449 1.266 0.189 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.742 0.696 2.567 1.00 0.00 H new ATOM 268 N VAL A 82 -2.811 -0.090 0.788 1.00 0.00 N ATOM 269 CA VAL A 82 -3.318 -1.368 0.306 1.00 0.00 C ATOM 270 C VAL A 82 -4.313 -1.972 1.291 1.00 0.00 C ATOM 271 O VAL A 82 -4.072 -1.995 2.497 1.00 0.00 O ATOM 272 CB VAL A 82 -2.175 -2.373 0.068 1.00 0.00 C ATOM 273 CG1 VAL A 82 -2.643 -3.514 -0.821 1.00 0.00 C ATOM 274 CG2 VAL A 82 -0.969 -1.672 -0.539 1.00 0.00 C ATOM 0 H VAL A 82 -2.577 -0.077 1.781 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.821 -1.171 -0.640 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.877 -2.793 1.029 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.822 -4.213 -0.978 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.474 -4.031 -0.342 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.969 -3.116 -1.782 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.171 -2.396 -0.701 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.250 -1.223 -1.492 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.621 -0.894 0.140 1.00 0.00 H new ATOM 284 N GLY A 83 -5.434 -2.460 0.768 1.00 0.00 N ATOM 285 CA GLY A 83 -6.449 -3.058 1.616 1.00 0.00 C ATOM 286 C GLY A 83 -7.105 -4.263 0.972 1.00 0.00 C ATOM 287 O GLY A 83 -6.680 -4.717 -0.090 1.00 0.00 O ATOM 0 H GLY A 83 -5.657 -2.452 -0.227 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -5.998 -3.356 2.562 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.211 -2.313 1.846 1.00 0.00 H new ATOM 291 N ASP A 84 -8.142 -4.785 1.618 1.00 0.00 N ATOM 292 CA ASP A 84 -8.858 -5.946 1.103 1.00 0.00 C ATOM 293 C ASP A 84 -7.909 -7.123 0.899 1.00 0.00 C ATOM 294 O ASP A 84 -8.128 -7.967 0.028 1.00 0.00 O ATOM 295 CB ASP A 84 -9.553 -5.601 -0.215 1.00 0.00 C ATOM 296 CG ASP A 84 -10.950 -5.051 -0.007 1.00 0.00 C ATOM 297 OD1 ASP A 84 -11.736 -5.691 0.723 1.00 0.00 O ATOM 298 OD2 ASP A 84 -11.258 -3.982 -0.575 1.00 0.00 O ATOM 0 H ASP A 84 -8.505 -4.422 2.499 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.611 -6.232 1.837 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -8.955 -4.869 -0.757 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.606 -6.493 -0.839 1.00 0.00 H new ATOM 303 N LEU A 85 -6.855 -7.174 1.706 1.00 0.00 N ATOM 304 CA LEU A 85 -5.872 -8.247 1.614 1.00 0.00 C ATOM 305 C LEU A 85 -6.302 -9.453 2.442 1.00 0.00 C ATOM 306 O LEU A 85 -6.692 -9.315 3.601 1.00 0.00 O ATOM 307 CB LEU A 85 -4.503 -7.752 2.085 1.00 0.00 C ATOM 308 CG LEU A 85 -4.043 -6.409 1.518 1.00 0.00 C ATOM 309 CD1 LEU A 85 -2.869 -5.866 2.318 1.00 0.00 C ATOM 310 CD2 LEU A 85 -3.670 -6.549 0.050 1.00 0.00 C ATOM 0 H LEU A 85 -6.659 -6.484 2.432 1.00 0.00 H new ATOM 0 HA LEU A 85 -5.802 -8.554 0.570 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.520 -7.678 3.172 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.759 -8.506 1.829 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.869 -5.702 1.597 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.555 -4.910 1.900 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.170 -5.727 3.356 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.040 -6.572 2.272 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -3.345 -5.583 -0.337 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.861 -7.272 -0.052 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.537 -6.893 -0.514 1.00 0.00 H new ATOM 322 N SER A 86 -6.227 -10.635 1.840 1.00 0.00 N ATOM 323 CA SER A 86 -6.610 -11.866 2.521 1.00 0.00 C ATOM 324 C SER A 86 -5.865 -12.009 3.845 1.00 0.00 C ATOM 325 O SER A 86 -4.781 -11.458 4.039 1.00 0.00 O ATOM 326 CB SER A 86 -6.327 -13.077 1.630 1.00 0.00 C ATOM 327 OG SER A 86 -5.965 -14.207 2.405 1.00 0.00 O ATOM 0 H SER A 86 -5.904 -10.767 0.881 1.00 0.00 H new ATOM 0 HA SER A 86 -7.679 -11.819 2.729 1.00 0.00 H new ATOM 0 HB2 SER A 86 -7.210 -13.308 1.034 1.00 0.00 H new ATOM 0 HB3 SER A 86 -5.525 -12.839 0.932 1.00 0.00 H new ATOM 0 HG SER A 86 -6.587 -14.942 2.222 1.00 0.00 H new ATOM 333 N PRO A 87 -6.458 -12.768 4.778 1.00 0.00 N ATOM 334 CA PRO A 87 -5.869 -13.002 6.100 1.00 0.00 C ATOM 335 C PRO A 87 -4.627 -13.885 6.032 1.00 0.00 C ATOM 336 O PRO A 87 -3.847 -13.946 6.982 1.00 0.00 O ATOM 337 CB PRO A 87 -6.988 -13.712 6.866 1.00 0.00 C ATOM 338 CG PRO A 87 -7.815 -14.363 5.812 1.00 0.00 C ATOM 339 CD PRO A 87 -7.750 -13.455 4.615 1.00 0.00 C ATOM 0 HA PRO A 87 -5.535 -12.076 6.568 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -6.586 -14.447 7.564 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -7.577 -13.006 7.451 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -7.431 -15.354 5.571 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -8.844 -14.493 6.148 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -7.792 -14.017 3.682 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -8.581 -12.750 4.600 1.00 0.00 H new ATOM 347 N GLU A 88 -4.451 -14.566 4.904 1.00 0.00 N ATOM 348 CA GLU A 88 -3.303 -15.445 4.715 1.00 0.00 C ATOM 349 C GLU A 88 -2.147 -14.696 4.058 1.00 0.00 C ATOM 350 O GLU A 88 -1.043 -15.227 3.931 1.00 0.00 O ATOM 351 CB GLU A 88 -3.694 -16.653 3.861 1.00 0.00 C ATOM 352 CG GLU A 88 -3.804 -16.341 2.378 1.00 0.00 C ATOM 353 CD GLU A 88 -3.393 -17.509 1.504 1.00 0.00 C ATOM 354 OE1 GLU A 88 -4.255 -18.363 1.212 1.00 0.00 O ATOM 355 OE2 GLU A 88 -2.209 -17.569 1.111 1.00 0.00 O ATOM 0 H GLU A 88 -5.088 -14.526 4.108 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.977 -15.792 5.696 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.956 -17.442 4.004 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -4.649 -17.042 4.213 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.831 -16.061 2.145 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.178 -15.480 2.144 1.00 0.00 H new ATOM 362 N ILE A 89 -2.410 -13.462 3.642 1.00 0.00 N ATOM 363 CA ILE A 89 -1.392 -12.641 2.999 1.00 0.00 C ATOM 364 C ILE A 89 -0.388 -12.112 4.017 1.00 0.00 C ATOM 365 O ILE A 89 -0.759 -11.702 5.117 1.00 0.00 O ATOM 366 CB ILE A 89 -2.020 -11.451 2.249 1.00 0.00 C ATOM 367 CG1 ILE A 89 -2.844 -11.948 1.059 1.00 0.00 C ATOM 368 CG2 ILE A 89 -0.938 -10.487 1.785 1.00 0.00 C ATOM 369 CD1 ILE A 89 -2.020 -12.662 0.010 1.00 0.00 C ATOM 0 H ILE A 89 -3.319 -13.009 3.739 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.877 -13.281 2.283 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.684 -10.920 2.931 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -3.620 -12.622 1.421 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.349 -11.100 0.597 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -1.397 -9.651 1.257 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.389 -10.112 2.649 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.251 -11.006 1.116 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.669 -12.987 -0.804 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.261 -11.984 -0.380 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.536 -13.531 0.457 1.00 0.00 H new ATOM 381 N THR A 90 0.888 -12.123 3.643 1.00 0.00 N ATOM 382 CA THR A 90 1.947 -11.644 4.523 1.00 0.00 C ATOM 383 C THR A 90 2.701 -10.479 3.892 1.00 0.00 C ATOM 384 O THR A 90 2.356 -10.018 2.803 1.00 0.00 O ATOM 385 CB THR A 90 2.946 -12.766 4.861 1.00 0.00 C ATOM 386 OG1 THR A 90 3.851 -12.325 5.879 1.00 0.00 O ATOM 387 CG2 THR A 90 3.730 -13.183 3.625 1.00 0.00 C ATOM 0 H THR A 90 1.213 -12.459 2.736 1.00 0.00 H new ATOM 0 HA THR A 90 1.467 -11.307 5.442 1.00 0.00 H new ATOM 0 HB THR A 90 2.383 -13.627 5.223 1.00 0.00 H new ATOM 0 HG1 THR A 90 4.482 -13.045 6.090 1.00 0.00 H new ATOM 0 HG21 THR A 90 4.429 -13.977 3.888 1.00 0.00 H new ATOM 0 HG22 THR A 90 3.041 -13.545 2.862 1.00 0.00 H new ATOM 0 HG23 THR A 90 4.282 -12.326 3.238 1.00 0.00 H new ATOM 395 N THR A 91 3.735 -10.007 4.582 1.00 0.00 N ATOM 396 CA THR A 91 4.538 -8.895 4.089 1.00 0.00 C ATOM 397 C THR A 91 5.053 -9.171 2.681 1.00 0.00 C ATOM 398 O THR A 91 4.798 -8.400 1.756 1.00 0.00 O ATOM 399 CB THR A 91 5.737 -8.614 5.015 1.00 0.00 C ATOM 400 OG1 THR A 91 5.274 -8.319 6.338 1.00 0.00 O ATOM 401 CG2 THR A 91 6.565 -7.451 4.491 1.00 0.00 C ATOM 0 H THR A 91 4.036 -10.378 5.483 1.00 0.00 H new ATOM 0 HA THR A 91 3.889 -8.020 4.071 1.00 0.00 H new ATOM 0 HB THR A 91 6.366 -9.504 5.040 1.00 0.00 H new ATOM 0 HG1 THR A 91 6.041 -8.143 6.922 1.00 0.00 H new ATOM 0 HG21 THR A 91 7.406 -7.272 5.161 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.939 -7.690 3.496 1.00 0.00 H new ATOM 0 HG23 THR A 91 5.944 -6.556 4.440 1.00 0.00 H new ATOM 409 N GLU A 92 5.778 -10.274 2.526 1.00 0.00 N ATOM 410 CA GLU A 92 6.328 -10.650 1.229 1.00 0.00 C ATOM 411 C GLU A 92 5.259 -10.577 0.142 1.00 0.00 C ATOM 412 O GLU A 92 5.405 -9.849 -0.840 1.00 0.00 O ATOM 413 CB GLU A 92 6.915 -12.062 1.288 1.00 0.00 C ATOM 414 CG GLU A 92 8.052 -12.207 2.285 1.00 0.00 C ATOM 415 CD GLU A 92 8.726 -13.563 2.208 1.00 0.00 C ATOM 416 OE1 GLU A 92 8.013 -14.570 2.018 1.00 0.00 O ATOM 417 OE2 GLU A 92 9.967 -13.616 2.339 1.00 0.00 O ATOM 0 H GLU A 92 5.998 -10.923 3.282 1.00 0.00 H new ATOM 0 HA GLU A 92 7.121 -9.945 0.982 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.123 -12.765 1.548 1.00 0.00 H new ATOM 0 HB3 GLU A 92 7.275 -12.339 0.297 1.00 0.00 H new ATOM 0 HG2 GLU A 92 8.791 -11.427 2.103 1.00 0.00 H new ATOM 0 HG3 GLU A 92 7.668 -12.053 3.293 1.00 0.00 H new ATOM 424 N ASP A 93 4.184 -11.336 0.326 1.00 0.00 N ATOM 425 CA ASP A 93 3.090 -11.359 -0.637 1.00 0.00 C ATOM 426 C ASP A 93 2.896 -9.985 -1.271 1.00 0.00 C ATOM 427 O ASP A 93 2.920 -9.846 -2.494 1.00 0.00 O ATOM 428 CB ASP A 93 1.795 -11.809 0.041 1.00 0.00 C ATOM 429 CG ASP A 93 1.608 -13.312 -0.007 1.00 0.00 C ATOM 430 OD1 ASP A 93 1.420 -13.851 -1.118 1.00 0.00 O ATOM 431 OD2 ASP A 93 1.650 -13.951 1.066 1.00 0.00 O ATOM 0 H ASP A 93 4.047 -11.944 1.134 1.00 0.00 H new ATOM 0 HA ASP A 93 3.345 -12.070 -1.423 1.00 0.00 H new ATOM 0 HB2 ASP A 93 1.799 -11.479 1.080 1.00 0.00 H new ATOM 0 HB3 ASP A 93 0.947 -11.325 -0.444 1.00 0.00 H new ATOM 436 N ILE A 94 2.703 -8.973 -0.431 1.00 0.00 N ATOM 437 CA ILE A 94 2.505 -7.611 -0.909 1.00 0.00 C ATOM 438 C ILE A 94 3.609 -7.202 -1.878 1.00 0.00 C ATOM 439 O ILE A 94 3.346 -6.885 -3.039 1.00 0.00 O ATOM 440 CB ILE A 94 2.462 -6.605 0.256 1.00 0.00 C ATOM 441 CG1 ILE A 94 1.387 -7.008 1.268 1.00 0.00 C ATOM 442 CG2 ILE A 94 2.206 -5.199 -0.266 1.00 0.00 C ATOM 443 CD1 ILE A 94 0.946 -5.873 2.165 1.00 0.00 C ATOM 0 H ILE A 94 2.680 -9.071 0.584 1.00 0.00 H new ATOM 0 HA ILE A 94 1.546 -7.596 -1.427 1.00 0.00 H new ATOM 0 HB ILE A 94 3.429 -6.614 0.759 1.00 0.00 H new ATOM 0 HG12 ILE A 94 0.520 -7.394 0.731 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.768 -7.822 1.886 1.00 0.00 H new ATOM 0 HG21 ILE A 94 2.178 -4.500 0.570 1.00 0.00 H new ATOM 0 HG22 ILE A 94 3.005 -4.914 -0.951 1.00 0.00 H new ATOM 0 HG23 ILE A 94 1.251 -5.174 -0.791 1.00 0.00 H new ATOM 0 HD11 ILE A 94 0.183 -6.231 2.856 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.802 -5.502 2.729 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.535 -5.067 1.557 1.00 0.00 H new ATOM 455 N LYS A 95 4.847 -7.215 -1.396 1.00 0.00 N ATOM 456 CA LYS A 95 5.993 -6.849 -2.219 1.00 0.00 C ATOM 457 C LYS A 95 5.957 -7.579 -3.557 1.00 0.00 C ATOM 458 O LYS A 95 6.238 -6.993 -4.602 1.00 0.00 O ATOM 459 CB LYS A 95 7.297 -7.172 -1.485 1.00 0.00 C ATOM 460 CG LYS A 95 7.813 -6.027 -0.630 1.00 0.00 C ATOM 461 CD LYS A 95 8.942 -6.478 0.282 1.00 0.00 C ATOM 462 CE LYS A 95 8.412 -6.983 1.616 1.00 0.00 C ATOM 463 NZ LYS A 95 9.487 -7.604 2.439 1.00 0.00 N ATOM 0 H LYS A 95 5.082 -7.475 -0.438 1.00 0.00 H new ATOM 0 HA LYS A 95 5.945 -5.777 -2.409 1.00 0.00 H new ATOM 0 HB2 LYS A 95 7.141 -8.046 -0.852 1.00 0.00 H new ATOM 0 HB3 LYS A 95 8.059 -7.440 -2.217 1.00 0.00 H new ATOM 0 HG2 LYS A 95 8.164 -5.220 -1.274 1.00 0.00 H new ATOM 0 HG3 LYS A 95 6.998 -5.624 -0.029 1.00 0.00 H new ATOM 0 HD2 LYS A 95 9.513 -7.268 -0.207 1.00 0.00 H new ATOM 0 HD3 LYS A 95 9.628 -5.648 0.452 1.00 0.00 H new ATOM 0 HE2 LYS A 95 7.965 -6.155 2.166 1.00 0.00 H new ATOM 0 HE3 LYS A 95 7.621 -7.713 1.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 9.087 -7.936 3.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 9.896 -8.410 1.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 10.229 -6.901 2.628 1.00 0.00 H new ATOM 477 N ALA A 96 5.607 -8.861 -3.518 1.00 0.00 N ATOM 478 CA ALA A 96 5.531 -9.669 -4.729 1.00 0.00 C ATOM 479 C ALA A 96 4.505 -9.101 -5.704 1.00 0.00 C ATOM 480 O ALA A 96 4.636 -9.258 -6.918 1.00 0.00 O ATOM 481 CB ALA A 96 5.189 -11.110 -4.381 1.00 0.00 C ATOM 0 H ALA A 96 5.372 -9.362 -2.661 1.00 0.00 H new ATOM 0 HA ALA A 96 6.507 -9.645 -5.214 1.00 0.00 H new ATOM 0 HB1 ALA A 96 5.135 -11.702 -5.295 1.00 0.00 H new ATOM 0 HB2 ALA A 96 5.960 -11.519 -3.728 1.00 0.00 H new ATOM 0 HB3 ALA A 96 4.226 -11.142 -3.871 1.00 0.00 H new ATOM 487 N ALA A 97 3.485 -8.441 -5.166 1.00 0.00 N ATOM 488 CA ALA A 97 2.439 -7.848 -5.989 1.00 0.00 C ATOM 489 C ALA A 97 2.927 -6.569 -6.661 1.00 0.00 C ATOM 490 O ALA A 97 2.838 -6.424 -7.880 1.00 0.00 O ATOM 491 CB ALA A 97 1.202 -7.567 -5.148 1.00 0.00 C ATOM 0 H ALA A 97 3.361 -8.304 -4.163 1.00 0.00 H new ATOM 0 HA ALA A 97 2.179 -8.561 -6.772 1.00 0.00 H new ATOM 0 HB1 ALA A 97 0.428 -7.124 -5.775 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.833 -8.499 -4.721 1.00 0.00 H new ATOM 0 HB3 ALA A 97 1.457 -6.876 -4.345 1.00 0.00 H new ATOM 497 N PHE A 98 3.441 -5.644 -5.858 1.00 0.00 N ATOM 498 CA PHE A 98 3.942 -4.376 -6.375 1.00 0.00 C ATOM 499 C PHE A 98 5.401 -4.501 -6.804 1.00 0.00 C ATOM 500 O PHE A 98 6.026 -3.521 -7.208 1.00 0.00 O ATOM 501 CB PHE A 98 3.801 -3.278 -5.318 1.00 0.00 C ATOM 502 CG PHE A 98 2.397 -3.109 -4.812 1.00 0.00 C ATOM 503 CD1 PHE A 98 1.846 -4.031 -3.937 1.00 0.00 C ATOM 504 CD2 PHE A 98 1.629 -2.028 -5.212 1.00 0.00 C ATOM 505 CE1 PHE A 98 0.554 -3.879 -3.470 1.00 0.00 C ATOM 506 CE2 PHE A 98 0.337 -1.869 -4.747 1.00 0.00 C ATOM 507 CZ PHE A 98 -0.202 -2.797 -3.876 1.00 0.00 C ATOM 0 H PHE A 98 3.522 -5.748 -4.847 1.00 0.00 H new ATOM 0 HA PHE A 98 3.347 -4.108 -7.248 1.00 0.00 H new ATOM 0 HB2 PHE A 98 4.456 -3.508 -4.478 1.00 0.00 H new ATOM 0 HB3 PHE A 98 4.143 -2.333 -5.740 1.00 0.00 H new ATOM 0 HD1 PHE A 98 2.433 -4.879 -3.616 1.00 0.00 H new ATOM 0 HD2 PHE A 98 2.044 -1.301 -5.895 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.136 -4.605 -2.789 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -0.251 -1.020 -5.064 1.00 0.00 H new ATOM 0 HZ PHE A 98 -1.212 -2.676 -3.514 1.00 0.00 H new ATOM 517 N ALA A 99 5.936 -5.714 -6.711 1.00 0.00 N ATOM 518 CA ALA A 99 7.320 -5.968 -7.091 1.00 0.00 C ATOM 519 C ALA A 99 7.581 -5.546 -8.532 1.00 0.00 C ATOM 520 O ALA A 99 8.418 -4.687 -8.811 1.00 0.00 O ATOM 521 CB ALA A 99 7.657 -7.440 -6.901 1.00 0.00 C ATOM 0 H ALA A 99 5.432 -6.535 -6.376 1.00 0.00 H new ATOM 0 HA ALA A 99 7.963 -5.372 -6.444 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.694 -7.616 -7.188 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.519 -7.713 -5.855 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.000 -8.047 -7.524 1.00 0.00 H new ATOM 527 N PRO A 100 6.850 -6.162 -9.472 1.00 0.00 N ATOM 528 CA PRO A 100 6.985 -5.865 -10.902 1.00 0.00 C ATOM 529 C PRO A 100 6.456 -4.481 -11.259 1.00 0.00 C ATOM 530 O PRO A 100 6.507 -4.065 -12.416 1.00 0.00 O ATOM 531 CB PRO A 100 6.137 -6.950 -11.571 1.00 0.00 C ATOM 532 CG PRO A 100 5.138 -7.342 -10.537 1.00 0.00 C ATOM 533 CD PRO A 100 5.834 -7.196 -9.212 1.00 0.00 C ATOM 0 HA PRO A 100 8.027 -5.862 -11.221 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.649 -6.573 -12.470 1.00 0.00 H new ATOM 0 HB3 PRO A 100 6.749 -7.800 -11.873 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.255 -6.705 -10.586 1.00 0.00 H new ATOM 0 HG3 PRO A 100 4.800 -8.367 -10.690 1.00 0.00 H new ATOM 0 HD2 PRO A 100 5.143 -6.891 -8.426 1.00 0.00 H new ATOM 0 HD3 PRO A 100 6.288 -8.134 -8.891 1.00 0.00 H new ATOM 541 N PHE A 101 5.948 -3.770 -10.257 1.00 0.00 N ATOM 542 CA PHE A 101 5.409 -2.431 -10.466 1.00 0.00 C ATOM 543 C PHE A 101 6.422 -1.367 -10.056 1.00 0.00 C ATOM 544 O PHE A 101 6.164 -0.170 -10.175 1.00 0.00 O ATOM 545 CB PHE A 101 4.113 -2.251 -9.673 1.00 0.00 C ATOM 546 CG PHE A 101 2.945 -2.996 -10.255 1.00 0.00 C ATOM 547 CD1 PHE A 101 2.736 -4.331 -9.947 1.00 0.00 C ATOM 548 CD2 PHE A 101 2.057 -2.361 -11.108 1.00 0.00 C ATOM 549 CE1 PHE A 101 1.663 -5.018 -10.482 1.00 0.00 C ATOM 550 CE2 PHE A 101 0.982 -3.044 -11.645 1.00 0.00 C ATOM 551 CZ PHE A 101 0.784 -4.374 -11.331 1.00 0.00 C ATOM 0 H PHE A 101 5.898 -4.099 -9.293 1.00 0.00 H new ATOM 0 HA PHE A 101 5.196 -2.314 -11.528 1.00 0.00 H new ATOM 0 HB2 PHE A 101 4.274 -2.587 -8.649 1.00 0.00 H new ATOM 0 HB3 PHE A 101 3.870 -1.190 -9.626 1.00 0.00 H new ATOM 0 HD1 PHE A 101 3.419 -4.839 -9.282 1.00 0.00 H new ATOM 0 HD2 PHE A 101 2.206 -1.321 -11.356 1.00 0.00 H new ATOM 0 HE1 PHE A 101 1.512 -6.059 -10.236 1.00 0.00 H new ATOM 0 HE2 PHE A 101 0.297 -2.538 -12.310 1.00 0.00 H new ATOM 0 HZ PHE A 101 -0.056 -4.909 -11.748 1.00 0.00 H new ATOM 561 N GLY A 102 7.576 -1.813 -9.570 1.00 0.00 N ATOM 562 CA GLY A 102 8.611 -0.887 -9.148 1.00 0.00 C ATOM 563 C GLY A 102 9.342 -1.360 -7.908 1.00 0.00 C ATOM 564 O GLY A 102 8.807 -2.145 -7.125 1.00 0.00 O ATOM 0 H GLY A 102 7.813 -2.799 -9.461 1.00 0.00 H new ATOM 0 HA2 GLY A 102 9.327 -0.753 -9.959 1.00 0.00 H new ATOM 0 HA3 GLY A 102 8.164 0.088 -8.953 1.00 0.00 H new ATOM 568 N ARG A 103 10.570 -0.884 -7.728 1.00 0.00 N ATOM 569 CA ARG A 103 11.377 -1.265 -6.575 1.00 0.00 C ATOM 570 C ARG A 103 10.716 -0.814 -5.276 1.00 0.00 C ATOM 571 O ARG A 103 10.452 0.374 -5.083 1.00 0.00 O ATOM 572 CB ARG A 103 12.778 -0.662 -6.684 1.00 0.00 C ATOM 573 CG ARG A 103 13.774 -1.560 -7.400 1.00 0.00 C ATOM 574 CD ARG A 103 15.112 -0.865 -7.593 1.00 0.00 C ATOM 575 NE ARG A 103 15.063 0.131 -8.660 1.00 0.00 N ATOM 576 CZ ARG A 103 14.716 1.399 -8.467 1.00 0.00 C ATOM 577 NH1 ARG A 103 14.390 1.823 -7.254 1.00 0.00 N ATOM 578 NH2 ARG A 103 14.695 2.245 -9.489 1.00 0.00 N ATOM 0 H ARG A 103 11.028 -0.233 -8.366 1.00 0.00 H new ATOM 0 HA ARG A 103 11.458 -2.352 -6.563 1.00 0.00 H new ATOM 0 HB2 ARG A 103 12.715 0.289 -7.212 1.00 0.00 H new ATOM 0 HB3 ARG A 103 13.151 -0.447 -5.683 1.00 0.00 H new ATOM 0 HG2 ARG A 103 13.918 -2.476 -6.826 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.371 -1.851 -8.370 1.00 0.00 H new ATOM 0 HD2 ARG A 103 15.408 -0.383 -6.661 1.00 0.00 H new ATOM 0 HD3 ARG A 103 15.876 -1.607 -7.825 1.00 0.00 H new ATOM 0 HE ARG A 103 15.309 -0.163 -9.605 1.00 0.00 H new ATOM 0 HH11 ARG A 103 14.405 1.175 -6.466 1.00 0.00 H new ATOM 0 HH12 ARG A 103 14.124 2.797 -7.109 1.00 0.00 H new ATOM 0 HH21 ARG A 103 14.945 1.922 -10.424 1.00 0.00 H new ATOM 0 HH22 ARG A 103 14.428 3.218 -9.340 1.00 0.00 H new ATOM 592 N ILE A 104 10.452 -1.768 -4.390 1.00 0.00 N ATOM 593 CA ILE A 104 9.824 -1.467 -3.109 1.00 0.00 C ATOM 594 C ILE A 104 10.856 -1.417 -1.988 1.00 0.00 C ATOM 595 O ILE A 104 11.760 -2.250 -1.926 1.00 0.00 O ATOM 596 CB ILE A 104 8.746 -2.509 -2.753 1.00 0.00 C ATOM 597 CG1 ILE A 104 7.882 -2.820 -3.978 1.00 0.00 C ATOM 598 CG2 ILE A 104 7.884 -2.007 -1.604 1.00 0.00 C ATOM 599 CD1 ILE A 104 6.993 -4.030 -3.798 1.00 0.00 C ATOM 0 H ILE A 104 10.663 -2.755 -4.535 1.00 0.00 H new ATOM 0 HA ILE A 104 9.354 -0.489 -3.210 1.00 0.00 H new ATOM 0 HB ILE A 104 9.240 -3.428 -2.437 1.00 0.00 H new ATOM 0 HG12 ILE A 104 7.261 -1.953 -4.204 1.00 0.00 H new ATOM 0 HG13 ILE A 104 8.531 -2.981 -4.839 1.00 0.00 H new ATOM 0 HG21 ILE A 104 7.127 -2.754 -1.364 1.00 0.00 H new ATOM 0 HG22 ILE A 104 8.510 -1.831 -0.729 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.396 -1.076 -1.895 1.00 0.00 H new ATOM 0 HD11 ILE A 104 6.410 -4.191 -4.705 1.00 0.00 H new ATOM 0 HD12 ILE A 104 7.609 -4.908 -3.602 1.00 0.00 H new ATOM 0 HD13 ILE A 104 6.319 -3.865 -2.957 1.00 0.00 H new ATOM 611 N SER A 105 10.714 -0.436 -1.104 1.00 0.00 N ATOM 612 CA SER A 105 11.635 -0.276 0.015 1.00 0.00 C ATOM 613 C SER A 105 10.932 -0.547 1.341 1.00 0.00 C ATOM 614 O SER A 105 11.323 -1.441 2.092 1.00 0.00 O ATOM 615 CB SER A 105 12.227 1.135 0.018 1.00 0.00 C ATOM 616 OG SER A 105 13.123 1.310 1.101 1.00 0.00 O ATOM 0 H SER A 105 9.970 0.261 -1.141 1.00 0.00 H new ATOM 0 HA SER A 105 12.441 -1.001 -0.104 1.00 0.00 H new ATOM 0 HB2 SER A 105 12.748 1.316 -0.922 1.00 0.00 H new ATOM 0 HB3 SER A 105 11.424 1.869 0.084 1.00 0.00 H new ATOM 0 HG SER A 105 13.489 2.219 1.079 1.00 0.00 H new ATOM 622 N ASP A 106 9.893 0.231 1.623 1.00 0.00 N ATOM 623 CA ASP A 106 9.133 0.076 2.858 1.00 0.00 C ATOM 624 C ASP A 106 7.839 -0.692 2.606 1.00 0.00 C ATOM 625 O ASP A 106 6.852 -0.128 2.137 1.00 0.00 O ATOM 626 CB ASP A 106 8.819 1.444 3.464 1.00 0.00 C ATOM 627 CG ASP A 106 7.950 1.343 4.703 1.00 0.00 C ATOM 628 OD1 ASP A 106 8.362 0.657 5.662 1.00 0.00 O ATOM 629 OD2 ASP A 106 6.860 1.950 4.714 1.00 0.00 O ATOM 0 H ASP A 106 9.557 0.976 1.013 1.00 0.00 H new ATOM 0 HA ASP A 106 9.741 -0.493 3.561 1.00 0.00 H new ATOM 0 HB2 ASP A 106 9.751 1.948 3.718 1.00 0.00 H new ATOM 0 HB3 ASP A 106 8.315 2.061 2.720 1.00 0.00 H new ATOM 634 N ALA A 107 7.852 -1.983 2.922 1.00 0.00 N ATOM 635 CA ALA A 107 6.680 -2.828 2.731 1.00 0.00 C ATOM 636 C ALA A 107 6.393 -3.658 3.978 1.00 0.00 C ATOM 637 O ALA A 107 7.259 -4.386 4.464 1.00 0.00 O ATOM 638 CB ALA A 107 6.873 -3.735 1.524 1.00 0.00 C ATOM 0 H ALA A 107 8.661 -2.466 3.311 1.00 0.00 H new ATOM 0 HA ALA A 107 5.822 -2.181 2.551 1.00 0.00 H new ATOM 0 HB1 ALA A 107 5.990 -4.360 1.394 1.00 0.00 H new ATOM 0 HB2 ALA A 107 7.022 -3.127 0.632 1.00 0.00 H new ATOM 0 HB3 ALA A 107 7.746 -4.369 1.681 1.00 0.00 H new ATOM 644 N ARG A 108 5.172 -3.544 4.491 1.00 0.00 N ATOM 645 CA ARG A 108 4.772 -4.282 5.682 1.00 0.00 C ATOM 646 C ARG A 108 3.252 -4.388 5.772 1.00 0.00 C ATOM 647 O ARG A 108 2.529 -3.540 5.250 1.00 0.00 O ATOM 648 CB ARG A 108 5.321 -3.603 6.938 1.00 0.00 C ATOM 649 CG ARG A 108 4.516 -2.391 7.376 1.00 0.00 C ATOM 650 CD ARG A 108 4.974 -1.878 8.733 1.00 0.00 C ATOM 651 NE ARG A 108 6.096 -0.950 8.617 1.00 0.00 N ATOM 652 CZ ARG A 108 6.766 -0.472 9.660 1.00 0.00 C ATOM 653 NH1 ARG A 108 6.428 -0.833 10.890 1.00 0.00 N ATOM 654 NH2 ARG A 108 7.775 0.369 9.473 1.00 0.00 N ATOM 0 H ARG A 108 4.443 -2.947 4.100 1.00 0.00 H new ATOM 0 HA ARG A 108 5.186 -5.288 5.610 1.00 0.00 H new ATOM 0 HB2 ARG A 108 5.343 -4.327 7.752 1.00 0.00 H new ATOM 0 HB3 ARG A 108 6.351 -3.298 6.755 1.00 0.00 H new ATOM 0 HG2 ARG A 108 4.616 -1.599 6.634 1.00 0.00 H new ATOM 0 HG3 ARG A 108 3.459 -2.653 7.423 1.00 0.00 H new ATOM 0 HD2 ARG A 108 4.142 -1.381 9.232 1.00 0.00 H new ATOM 0 HD3 ARG A 108 5.264 -2.721 9.360 1.00 0.00 H new ATOM 0 HE ARG A 108 6.381 -0.653 7.684 1.00 0.00 H new ATOM 0 HH11 ARG A 108 5.652 -1.479 11.037 1.00 0.00 H new ATOM 0 HH12 ARG A 108 6.944 -0.465 11.689 1.00 0.00 H new ATOM 0 HH21 ARG A 108 8.037 0.649 8.528 1.00 0.00 H new ATOM 0 HH22 ARG A 108 8.289 0.735 10.274 1.00 0.00 H new ATOM 668 N VAL A 109 2.775 -5.436 6.437 1.00 0.00 N ATOM 669 CA VAL A 109 1.342 -5.652 6.595 1.00 0.00 C ATOM 670 C VAL A 109 0.870 -5.216 7.978 1.00 0.00 C ATOM 671 O VAL A 109 1.383 -5.680 8.996 1.00 0.00 O ATOM 672 CB VAL A 109 0.971 -7.132 6.382 1.00 0.00 C ATOM 673 CG1 VAL A 109 -0.518 -7.346 6.602 1.00 0.00 C ATOM 674 CG2 VAL A 109 1.384 -7.589 4.990 1.00 0.00 C ATOM 0 H VAL A 109 3.360 -6.148 6.875 1.00 0.00 H new ATOM 0 HA VAL A 109 0.845 -5.047 5.837 1.00 0.00 H new ATOM 0 HB VAL A 109 1.512 -7.733 7.113 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.761 -8.397 6.447 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.780 -7.059 7.620 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.081 -6.735 5.896 1.00 0.00 H new ATOM 0 HG21 VAL A 109 1.115 -8.637 4.856 1.00 0.00 H new ATOM 0 HG22 VAL A 109 0.872 -6.984 4.242 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.462 -7.474 4.874 1.00 0.00 H new ATOM 684 N VAL A 110 -0.112 -4.320 8.006 1.00 0.00 N ATOM 685 CA VAL A 110 -0.655 -3.821 9.264 1.00 0.00 C ATOM 686 C VAL A 110 -1.228 -4.957 10.104 1.00 0.00 C ATOM 687 O VAL A 110 -1.801 -5.909 9.574 1.00 0.00 O ATOM 688 CB VAL A 110 -1.756 -2.771 9.022 1.00 0.00 C ATOM 689 CG1 VAL A 110 -2.272 -2.224 10.345 1.00 0.00 C ATOM 690 CG2 VAL A 110 -1.235 -1.648 8.138 1.00 0.00 C ATOM 0 H VAL A 110 -0.547 -3.925 7.172 1.00 0.00 H new ATOM 0 HA VAL A 110 0.170 -3.355 9.803 1.00 0.00 H new ATOM 0 HB VAL A 110 -2.587 -3.253 8.507 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -3.049 -1.484 10.154 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -2.685 -3.039 10.939 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -1.452 -1.757 10.890 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -2.026 -0.915 7.977 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -0.387 -1.166 8.624 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -0.919 -2.057 7.178 1.00 0.00 H new ATOM 700 N LYS A 111 -1.068 -4.852 11.419 1.00 0.00 N ATOM 701 CA LYS A 111 -1.570 -5.869 12.335 1.00 0.00 C ATOM 702 C LYS A 111 -2.152 -5.229 13.592 1.00 0.00 C ATOM 703 O LYS A 111 -1.761 -4.127 13.977 1.00 0.00 O ATOM 704 CB LYS A 111 -0.450 -6.839 12.716 1.00 0.00 C ATOM 705 CG LYS A 111 -0.259 -7.969 11.719 1.00 0.00 C ATOM 706 CD LYS A 111 1.005 -8.761 12.008 1.00 0.00 C ATOM 707 CE LYS A 111 1.156 -9.938 11.056 1.00 0.00 C ATOM 708 NZ LYS A 111 2.545 -10.475 11.054 1.00 0.00 N ATOM 0 H LYS A 111 -0.594 -4.072 11.874 1.00 0.00 H new ATOM 0 HA LYS A 111 -2.362 -6.420 11.828 1.00 0.00 H new ATOM 0 HB2 LYS A 111 0.484 -6.285 12.807 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -0.666 -7.263 13.696 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -1.122 -8.634 11.752 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -0.210 -7.560 10.710 1.00 0.00 H new ATOM 0 HD2 LYS A 111 1.873 -8.107 11.921 1.00 0.00 H new ATOM 0 HD3 LYS A 111 0.981 -9.124 13.036 1.00 0.00 H new ATOM 0 HE2 LYS A 111 0.462 -10.728 11.342 1.00 0.00 H new ATOM 0 HE3 LYS A 111 0.886 -9.626 10.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 2.607 -11.276 10.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 3.205 -9.729 10.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 2.794 -10.796 12.011 1.00 0.00 H new ATOM 722 N ASP A 112 -3.085 -5.928 14.228 1.00 0.00 N ATOM 723 CA ASP A 112 -3.719 -5.430 15.443 1.00 0.00 C ATOM 724 C ASP A 112 -2.685 -5.206 16.542 1.00 0.00 C ATOM 725 O ASP A 112 -1.904 -6.101 16.865 1.00 0.00 O ATOM 726 CB ASP A 112 -4.789 -6.410 15.925 1.00 0.00 C ATOM 727 CG ASP A 112 -5.885 -5.727 16.719 1.00 0.00 C ATOM 728 OD1 ASP A 112 -6.299 -4.617 16.325 1.00 0.00 O ATOM 729 OD2 ASP A 112 -6.328 -6.302 17.736 1.00 0.00 O ATOM 0 H ASP A 112 -3.419 -6.842 13.922 1.00 0.00 H new ATOM 0 HA ASP A 112 -4.191 -4.475 15.212 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -5.229 -6.915 15.065 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -4.322 -7.178 16.542 1.00 0.00 H new ATOM 734 N MET A 113 -2.686 -4.005 17.112 1.00 0.00 N ATOM 735 CA MET A 113 -1.747 -3.664 18.175 1.00 0.00 C ATOM 736 C MET A 113 -2.220 -4.217 19.516 1.00 0.00 C ATOM 737 O MET A 113 -1.589 -3.992 20.548 1.00 0.00 O ATOM 738 CB MET A 113 -1.579 -2.146 18.268 1.00 0.00 C ATOM 739 CG MET A 113 -2.810 -1.429 18.795 1.00 0.00 C ATOM 740 SD MET A 113 -2.800 0.335 18.423 1.00 0.00 S ATOM 741 CE MET A 113 -1.443 0.890 19.453 1.00 0.00 C ATOM 0 H MET A 113 -3.326 -3.253 16.856 1.00 0.00 H new ATOM 0 HA MET A 113 -0.785 -4.115 17.934 1.00 0.00 H new ATOM 0 HB2 MET A 113 -0.732 -1.922 18.917 1.00 0.00 H new ATOM 0 HB3 MET A 113 -1.336 -1.755 17.280 1.00 0.00 H new ATOM 0 HG2 MET A 113 -3.702 -1.882 18.363 1.00 0.00 H new ATOM 0 HG3 MET A 113 -2.872 -1.568 19.874 1.00 0.00 H new ATOM 0 HE1 MET A 113 -1.323 1.968 19.346 1.00 0.00 H new ATOM 0 HE2 MET A 113 -1.655 0.650 20.495 1.00 0.00 H new ATOM 0 HE3 MET A 113 -0.525 0.390 19.145 1.00 0.00 H new ATOM 751 N ALA A 114 -3.334 -4.942 19.492 1.00 0.00 N ATOM 752 CA ALA A 114 -3.890 -5.528 20.705 1.00 0.00 C ATOM 753 C ALA A 114 -3.581 -7.020 20.785 1.00 0.00 C ATOM 754 O ALA A 114 -3.301 -7.550 21.860 1.00 0.00 O ATOM 755 CB ALA A 114 -5.392 -5.294 20.765 1.00 0.00 C ATOM 0 H ALA A 114 -3.869 -5.137 18.646 1.00 0.00 H new ATOM 0 HA ALA A 114 -3.424 -5.040 21.561 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -5.793 -5.737 21.676 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -5.594 -4.223 20.763 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -5.867 -5.754 19.898 1.00 0.00 H new ATOM 761 N THR A 115 -3.636 -7.693 19.640 1.00 0.00 N ATOM 762 CA THR A 115 -3.364 -9.123 19.580 1.00 0.00 C ATOM 763 C THR A 115 -2.184 -9.421 18.663 1.00 0.00 C ATOM 764 O THR A 115 -1.416 -10.351 18.906 1.00 0.00 O ATOM 765 CB THR A 115 -4.594 -9.908 19.087 1.00 0.00 C ATOM 766 OG1 THR A 115 -4.857 -9.596 17.714 1.00 0.00 O ATOM 767 CG2 THR A 115 -5.818 -9.583 19.929 1.00 0.00 C ATOM 0 H THR A 115 -3.867 -7.270 18.741 1.00 0.00 H new ATOM 0 HA THR A 115 -3.121 -9.441 20.594 1.00 0.00 H new ATOM 0 HB THR A 115 -4.379 -10.972 19.183 1.00 0.00 H new ATOM 0 HG1 THR A 115 -5.639 -10.101 17.408 1.00 0.00 H new ATOM 0 HG21 THR A 115 -6.673 -10.150 19.561 1.00 0.00 H new ATOM 0 HG22 THR A 115 -5.626 -9.850 20.968 1.00 0.00 H new ATOM 0 HG23 THR A 115 -6.033 -8.517 19.862 1.00 0.00 H new ATOM 775 N GLY A 116 -2.045 -8.625 17.607 1.00 0.00 N ATOM 776 CA GLY A 116 -0.954 -8.820 16.670 1.00 0.00 C ATOM 777 C GLY A 116 -1.362 -9.656 15.472 1.00 0.00 C ATOM 778 O GLY A 116 -0.541 -10.370 14.896 1.00 0.00 O ATOM 0 H GLY A 116 -2.668 -7.849 17.384 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -0.596 -7.849 16.327 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -0.122 -9.305 17.181 1.00 0.00 H new ATOM 782 N LYS A 117 -2.633 -9.569 15.097 1.00 0.00 N ATOM 783 CA LYS A 117 -3.149 -10.323 13.961 1.00 0.00 C ATOM 784 C LYS A 117 -3.218 -9.448 12.713 1.00 0.00 C ATOM 785 O LYS A 117 -3.141 -8.222 12.798 1.00 0.00 O ATOM 786 CB LYS A 117 -4.538 -10.881 14.282 1.00 0.00 C ATOM 787 CG LYS A 117 -4.517 -12.031 15.273 1.00 0.00 C ATOM 788 CD LYS A 117 -5.860 -12.737 15.337 1.00 0.00 C ATOM 789 CE LYS A 117 -6.108 -13.341 16.711 1.00 0.00 C ATOM 790 NZ LYS A 117 -5.280 -14.557 16.940 1.00 0.00 N ATOM 0 H LYS A 117 -3.326 -8.983 15.564 1.00 0.00 H new ATOM 0 HA LYS A 117 -2.467 -11.151 13.766 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -5.159 -10.079 14.682 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -5.008 -11.217 13.358 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -3.743 -12.744 14.988 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -4.255 -11.655 16.262 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -6.655 -12.030 15.100 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -5.896 -13.522 14.582 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -5.885 -12.600 17.479 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -7.163 -13.596 16.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -5.478 -14.939 17.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -5.510 -15.274 16.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -4.272 -14.309 16.870 1.00 0.00 H new ATOM 804 N SER A 118 -3.363 -10.086 11.556 1.00 0.00 N ATOM 805 CA SER A 118 -3.439 -9.365 10.291 1.00 0.00 C ATOM 806 C SER A 118 -4.575 -8.347 10.312 1.00 0.00 C ATOM 807 O SER A 118 -5.748 -8.710 10.399 1.00 0.00 O ATOM 808 CB SER A 118 -3.639 -10.345 9.133 1.00 0.00 C ATOM 809 OG SER A 118 -3.661 -9.667 7.889 1.00 0.00 O ATOM 0 H SER A 118 -3.430 -11.100 11.469 1.00 0.00 H new ATOM 0 HA SER A 118 -2.499 -8.831 10.149 1.00 0.00 H new ATOM 0 HB2 SER A 118 -2.837 -11.083 9.134 1.00 0.00 H new ATOM 0 HB3 SER A 118 -4.573 -10.889 9.271 1.00 0.00 H new ATOM 0 HG SER A 118 -3.788 -10.315 7.165 1.00 0.00 H new ATOM 815 N LYS A 119 -4.218 -7.070 10.234 1.00 0.00 N ATOM 816 CA LYS A 119 -5.205 -5.997 10.243 1.00 0.00 C ATOM 817 C LYS A 119 -6.036 -6.011 8.964 1.00 0.00 C ATOM 818 O LYS A 119 -7.242 -5.767 8.993 1.00 0.00 O ATOM 819 CB LYS A 119 -4.513 -4.641 10.399 1.00 0.00 C ATOM 820 CG LYS A 119 -4.247 -4.257 11.845 1.00 0.00 C ATOM 821 CD LYS A 119 -5.348 -3.366 12.396 1.00 0.00 C ATOM 822 CE LYS A 119 -6.717 -4.009 12.240 1.00 0.00 C ATOM 823 NZ LYS A 119 -7.808 -3.116 12.720 1.00 0.00 N ATOM 0 H LYS A 119 -3.251 -6.752 10.164 1.00 0.00 H new ATOM 0 HA LYS A 119 -5.872 -6.158 11.090 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -3.567 -4.660 9.857 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.130 -3.872 9.935 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -4.168 -5.158 12.453 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -3.290 -3.740 11.915 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -5.159 -3.162 13.450 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -5.334 -2.407 11.878 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -6.885 -4.256 11.192 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -6.744 -4.946 12.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -8.725 -3.591 12.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -7.663 -2.901 13.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -7.799 -2.232 12.172 1.00 0.00 H new ATOM 837 N GLY A 120 -5.383 -6.300 7.842 1.00 0.00 N ATOM 838 CA GLY A 120 -6.079 -6.342 6.569 1.00 0.00 C ATOM 839 C GLY A 120 -5.427 -5.459 5.524 1.00 0.00 C ATOM 840 O GLY A 120 -5.233 -5.877 4.382 1.00 0.00 O ATOM 0 H GLY A 120 -4.385 -6.506 7.792 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -6.106 -7.370 6.207 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -7.113 -6.027 6.713 1.00 0.00 H new ATOM 844 N TYR A 121 -5.091 -4.234 5.913 1.00 0.00 N ATOM 845 CA TYR A 121 -4.461 -3.288 4.999 1.00 0.00 C ATOM 846 C TYR A 121 -2.954 -3.229 5.229 1.00 0.00 C ATOM 847 O TYR A 121 -2.474 -3.463 6.337 1.00 0.00 O ATOM 848 CB TYR A 121 -5.070 -1.896 5.175 1.00 0.00 C ATOM 849 CG TYR A 121 -5.071 -1.411 6.607 1.00 0.00 C ATOM 850 CD1 TYR A 121 -5.951 -1.943 7.541 1.00 0.00 C ATOM 851 CD2 TYR A 121 -4.190 -0.421 7.026 1.00 0.00 C ATOM 852 CE1 TYR A 121 -5.955 -1.503 8.850 1.00 0.00 C ATOM 853 CE2 TYR A 121 -4.186 0.024 8.334 1.00 0.00 C ATOM 854 CZ TYR A 121 -5.071 -0.519 9.242 1.00 0.00 C ATOM 855 OH TYR A 121 -5.071 -0.079 10.546 1.00 0.00 O ATOM 0 H TYR A 121 -5.244 -3.873 6.855 1.00 0.00 H new ATOM 0 HA TYR A 121 -4.641 -3.631 3.980 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -4.516 -1.186 4.560 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -6.095 -1.908 4.804 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -6.644 -2.714 7.238 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -3.497 0.008 6.317 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -6.646 -1.927 9.563 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -3.494 0.793 8.644 1.00 0.00 H new ATOM 0 HH TYR A 121 -4.388 0.615 10.657 1.00 0.00 H new ATOM 865 N GLY A 122 -2.213 -2.914 4.171 1.00 0.00 N ATOM 866 CA GLY A 122 -0.768 -2.829 4.277 1.00 0.00 C ATOM 867 C GLY A 122 -0.214 -1.568 3.645 1.00 0.00 C ATOM 868 O GLY A 122 -0.940 -0.824 2.985 1.00 0.00 O ATOM 0 H GLY A 122 -2.587 -2.716 3.243 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -0.481 -2.861 5.328 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -0.320 -3.699 3.798 1.00 0.00 H new ATOM 872 N PHE A 123 1.077 -1.324 3.848 1.00 0.00 N ATOM 873 CA PHE A 123 1.728 -0.142 3.295 1.00 0.00 C ATOM 874 C PHE A 123 2.885 -0.535 2.381 1.00 0.00 C ATOM 875 O PHE A 123 3.647 -1.452 2.686 1.00 0.00 O ATOM 876 CB PHE A 123 2.237 0.760 4.422 1.00 0.00 C ATOM 877 CG PHE A 123 1.142 1.476 5.158 1.00 0.00 C ATOM 878 CD1 PHE A 123 0.201 2.225 4.470 1.00 0.00 C ATOM 879 CD2 PHE A 123 1.052 1.401 6.539 1.00 0.00 C ATOM 880 CE1 PHE A 123 -0.809 2.886 5.144 1.00 0.00 C ATOM 881 CE2 PHE A 123 0.045 2.058 7.219 1.00 0.00 C ATOM 882 CZ PHE A 123 -0.886 2.803 6.521 1.00 0.00 C ATOM 0 H PHE A 123 1.693 -1.929 4.391 1.00 0.00 H new ATOM 0 HA PHE A 123 0.992 0.405 2.705 1.00 0.00 H new ATOM 0 HB2 PHE A 123 2.806 0.157 5.130 1.00 0.00 H new ATOM 0 HB3 PHE A 123 2.925 1.496 4.005 1.00 0.00 H new ATOM 0 HD1 PHE A 123 0.257 2.293 3.394 1.00 0.00 H new ATOM 0 HD2 PHE A 123 1.778 0.822 7.090 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -1.536 3.466 4.595 1.00 0.00 H new ATOM 0 HE2 PHE A 123 -0.015 1.989 8.295 1.00 0.00 H new ATOM 0 HZ PHE A 123 -1.673 3.320 7.051 1.00 0.00 H new ATOM 892 N VAL A 124 3.008 0.165 1.258 1.00 0.00 N ATOM 893 CA VAL A 124 4.071 -0.110 0.299 1.00 0.00 C ATOM 894 C VAL A 124 4.662 1.183 -0.251 1.00 0.00 C ATOM 895 O VAL A 124 3.998 1.922 -0.978 1.00 0.00 O ATOM 896 CB VAL A 124 3.561 -0.968 -0.874 1.00 0.00 C ATOM 897 CG1 VAL A 124 4.675 -1.217 -1.879 1.00 0.00 C ATOM 898 CG2 VAL A 124 2.989 -2.282 -0.363 1.00 0.00 C ATOM 0 H VAL A 124 2.385 0.927 0.990 1.00 0.00 H new ATOM 0 HA VAL A 124 4.844 -0.662 0.833 1.00 0.00 H new ATOM 0 HB VAL A 124 2.764 -0.423 -1.380 1.00 0.00 H new ATOM 0 HG11 VAL A 124 4.295 -1.825 -2.700 1.00 0.00 H new ATOM 0 HG12 VAL A 124 5.033 -0.264 -2.268 1.00 0.00 H new ATOM 0 HG13 VAL A 124 5.496 -1.741 -1.390 1.00 0.00 H new ATOM 0 HG21 VAL A 124 2.633 -2.876 -1.205 1.00 0.00 H new ATOM 0 HG22 VAL A 124 3.764 -2.834 0.169 1.00 0.00 H new ATOM 0 HG23 VAL A 124 2.159 -2.079 0.314 1.00 0.00 H new ATOM 908 N SER A 125 5.916 1.451 0.100 1.00 0.00 N ATOM 909 CA SER A 125 6.597 2.657 -0.355 1.00 0.00 C ATOM 910 C SER A 125 7.478 2.359 -1.565 1.00 0.00 C ATOM 911 O SER A 125 8.012 1.259 -1.702 1.00 0.00 O ATOM 912 CB SER A 125 7.443 3.248 0.774 1.00 0.00 C ATOM 913 OG SER A 125 7.660 4.634 0.577 1.00 0.00 O ATOM 0 H SER A 125 6.481 0.848 0.698 1.00 0.00 H new ATOM 0 HA SER A 125 5.840 3.384 -0.649 1.00 0.00 H new ATOM 0 HB2 SER A 125 6.943 3.087 1.729 1.00 0.00 H new ATOM 0 HB3 SER A 125 8.401 2.730 0.824 1.00 0.00 H new ATOM 0 HG SER A 125 6.885 5.136 0.905 1.00 0.00 H new ATOM 919 N PHE A 126 7.625 3.349 -2.440 1.00 0.00 N ATOM 920 CA PHE A 126 8.440 3.194 -3.639 1.00 0.00 C ATOM 921 C PHE A 126 9.472 4.314 -3.744 1.00 0.00 C ATOM 922 O PHE A 126 9.231 5.438 -3.303 1.00 0.00 O ATOM 923 CB PHE A 126 7.554 3.183 -4.886 1.00 0.00 C ATOM 924 CG PHE A 126 6.489 2.125 -4.856 1.00 0.00 C ATOM 925 CD1 PHE A 126 5.475 2.171 -3.912 1.00 0.00 C ATOM 926 CD2 PHE A 126 6.501 1.085 -5.770 1.00 0.00 C ATOM 927 CE1 PHE A 126 4.494 1.198 -3.882 1.00 0.00 C ATOM 928 CE2 PHE A 126 5.522 0.109 -5.745 1.00 0.00 C ATOM 929 CZ PHE A 126 4.517 0.166 -4.800 1.00 0.00 C ATOM 0 H PHE A 126 7.190 4.266 -2.341 1.00 0.00 H new ATOM 0 HA PHE A 126 8.968 2.243 -3.569 1.00 0.00 H new ATOM 0 HB2 PHE A 126 7.082 4.159 -4.995 1.00 0.00 H new ATOM 0 HB3 PHE A 126 8.180 3.032 -5.765 1.00 0.00 H new ATOM 0 HD1 PHE A 126 5.451 2.976 -3.192 1.00 0.00 H new ATOM 0 HD2 PHE A 126 7.285 1.036 -6.512 1.00 0.00 H new ATOM 0 HE1 PHE A 126 3.710 1.244 -3.141 1.00 0.00 H new ATOM 0 HE2 PHE A 126 5.543 -0.697 -6.464 1.00 0.00 H new ATOM 0 HZ PHE A 126 3.751 -0.595 -4.779 1.00 0.00 H new ATOM 939 N PHE A 127 10.622 3.997 -4.329 1.00 0.00 N ATOM 940 CA PHE A 127 11.691 4.975 -4.491 1.00 0.00 C ATOM 941 C PHE A 127 11.247 6.123 -5.393 1.00 0.00 C ATOM 942 O PHE A 127 11.642 7.271 -5.194 1.00 0.00 O ATOM 943 CB PHE A 127 12.938 4.307 -5.074 1.00 0.00 C ATOM 944 CG PHE A 127 13.456 3.171 -4.238 1.00 0.00 C ATOM 945 CD1 PHE A 127 12.952 1.890 -4.398 1.00 0.00 C ATOM 946 CD2 PHE A 127 14.445 3.384 -3.292 1.00 0.00 C ATOM 947 CE1 PHE A 127 13.426 0.843 -3.630 1.00 0.00 C ATOM 948 CE2 PHE A 127 14.923 2.341 -2.522 1.00 0.00 C ATOM 949 CZ PHE A 127 14.412 1.069 -2.691 1.00 0.00 C ATOM 0 H PHE A 127 10.837 3.071 -4.699 1.00 0.00 H new ATOM 0 HA PHE A 127 11.930 5.380 -3.508 1.00 0.00 H new ATOM 0 HB2 PHE A 127 12.709 3.937 -6.073 1.00 0.00 H new ATOM 0 HB3 PHE A 127 13.723 5.055 -5.183 1.00 0.00 H new ATOM 0 HD1 PHE A 127 12.180 1.708 -5.131 1.00 0.00 H new ATOM 0 HD2 PHE A 127 14.847 4.377 -3.155 1.00 0.00 H new ATOM 0 HE1 PHE A 127 13.025 -0.151 -3.765 1.00 0.00 H new ATOM 0 HE2 PHE A 127 15.695 2.520 -1.789 1.00 0.00 H new ATOM 0 HZ PHE A 127 14.783 0.253 -2.089 1.00 0.00 H new ATOM 959 N ASN A 128 10.424 5.802 -6.387 1.00 0.00 N ATOM 960 CA ASN A 128 9.927 6.806 -7.321 1.00 0.00 C ATOM 961 C ASN A 128 8.413 6.953 -7.206 1.00 0.00 C ATOM 962 O ASN A 128 7.746 6.143 -6.562 1.00 0.00 O ATOM 963 CB ASN A 128 10.307 6.431 -8.755 1.00 0.00 C ATOM 964 CG ASN A 128 11.787 6.135 -8.902 1.00 0.00 C ATOM 965 OD1 ASN A 128 12.179 5.013 -9.222 1.00 0.00 O ATOM 966 ND2 ASN A 128 12.618 7.145 -8.668 1.00 0.00 N ATOM 0 H ASN A 128 10.088 4.856 -6.566 1.00 0.00 H new ATOM 0 HA ASN A 128 10.387 7.761 -7.068 1.00 0.00 H new ATOM 0 HB2 ASN A 128 9.732 5.558 -9.064 1.00 0.00 H new ATOM 0 HB3 ASN A 128 10.034 7.246 -9.425 1.00 0.00 H new ATOM 0 HD21 ASN A 128 13.625 7.007 -8.751 1.00 0.00 H new ATOM 0 HD22 ASN A 128 12.249 8.059 -8.405 1.00 0.00 H new ATOM 973 N LYS A 129 7.875 7.991 -7.837 1.00 0.00 N ATOM 974 CA LYS A 129 6.440 8.245 -7.808 1.00 0.00 C ATOM 975 C LYS A 129 5.713 7.372 -8.826 1.00 0.00 C ATOM 976 O LYS A 129 4.706 6.739 -8.508 1.00 0.00 O ATOM 977 CB LYS A 129 6.156 9.722 -8.092 1.00 0.00 C ATOM 978 CG LYS A 129 4.679 10.039 -8.244 1.00 0.00 C ATOM 979 CD LYS A 129 4.436 11.537 -8.330 1.00 0.00 C ATOM 980 CE LYS A 129 2.971 11.850 -8.596 1.00 0.00 C ATOM 981 NZ LYS A 129 2.789 13.217 -9.157 1.00 0.00 N ATOM 0 H LYS A 129 8.412 8.671 -8.375 1.00 0.00 H new ATOM 0 HA LYS A 129 6.072 7.996 -6.813 1.00 0.00 H new ATOM 0 HB2 LYS A 129 6.567 10.325 -7.282 1.00 0.00 H new ATOM 0 HB3 LYS A 129 6.678 10.015 -9.003 1.00 0.00 H new ATOM 0 HG2 LYS A 129 4.292 9.555 -9.141 1.00 0.00 H new ATOM 0 HG3 LYS A 129 4.129 9.628 -7.397 1.00 0.00 H new ATOM 0 HD2 LYS A 129 4.747 12.011 -7.399 1.00 0.00 H new ATOM 0 HD3 LYS A 129 5.050 11.961 -9.125 1.00 0.00 H new ATOM 0 HE2 LYS A 129 2.563 11.115 -9.290 1.00 0.00 H new ATOM 0 HE3 LYS A 129 2.406 11.760 -7.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 1.778 13.392 -9.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 3.155 13.920 -8.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 3.307 13.295 -10.055 1.00 0.00 H new ATOM 995 N TRP A 130 6.229 7.343 -10.049 1.00 0.00 N ATOM 996 CA TRP A 130 5.630 6.546 -11.113 1.00 0.00 C ATOM 997 C TRP A 130 5.349 5.125 -10.637 1.00 0.00 C ATOM 998 O TRP A 130 4.199 4.689 -10.597 1.00 0.00 O ATOM 999 CB TRP A 130 6.548 6.515 -12.336 1.00 0.00 C ATOM 1000 CG TRP A 130 7.522 7.654 -12.375 1.00 0.00 C ATOM 1001 CD1 TRP A 130 8.881 7.574 -12.264 1.00 0.00 C ATOM 1002 CD2 TRP A 130 7.212 9.042 -12.535 1.00 0.00 C ATOM 1003 NE1 TRP A 130 9.434 8.829 -12.345 1.00 0.00 N ATOM 1004 CE2 TRP A 130 8.431 9.747 -12.512 1.00 0.00 C ATOM 1005 CE3 TRP A 130 6.023 9.759 -12.697 1.00 0.00 C ATOM 1006 CZ2 TRP A 130 8.493 11.132 -12.644 1.00 0.00 C ATOM 1007 CZ3 TRP A 130 6.086 11.133 -12.827 1.00 0.00 C ATOM 1008 CH2 TRP A 130 7.313 11.808 -12.801 1.00 0.00 C ATOM 0 H TRP A 130 7.061 7.862 -10.329 1.00 0.00 H new ATOM 0 HA TRP A 130 4.684 7.010 -11.390 1.00 0.00 H new ATOM 0 HB2 TRP A 130 7.099 5.574 -12.344 1.00 0.00 H new ATOM 0 HB3 TRP A 130 5.939 6.536 -13.240 1.00 0.00 H new ATOM 0 HD1 TRP A 130 9.439 6.659 -12.132 1.00 0.00 H new ATOM 0 HE1 TRP A 130 10.430 9.043 -12.290 1.00 0.00 H new ATOM 0 HE3 TRP A 130 5.072 9.248 -12.720 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 9.438 11.654 -12.623 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 5.173 11.697 -12.951 1.00 0.00 H new ATOM 0 HH2 TRP A 130 7.328 12.883 -12.907 1.00 0.00 H new ATOM 1019 N ASP A 131 6.407 4.407 -10.277 1.00 0.00 N ATOM 1020 CA ASP A 131 6.275 3.034 -9.803 1.00 0.00 C ATOM 1021 C ASP A 131 5.002 2.865 -8.979 1.00 0.00 C ATOM 1022 O ASP A 131 4.179 1.994 -9.261 1.00 0.00 O ATOM 1023 CB ASP A 131 7.494 2.641 -8.967 1.00 0.00 C ATOM 1024 CG ASP A 131 8.706 2.329 -9.822 1.00 0.00 C ATOM 1025 OD1 ASP A 131 8.540 1.664 -10.866 1.00 0.00 O ATOM 1026 OD2 ASP A 131 9.820 2.749 -9.447 1.00 0.00 O ATOM 0 H ASP A 131 7.366 4.753 -10.304 1.00 0.00 H new ATOM 0 HA ASP A 131 6.214 2.379 -10.672 1.00 0.00 H new ATOM 0 HB2 ASP A 131 7.737 3.452 -8.280 1.00 0.00 H new ATOM 0 HB3 ASP A 131 7.248 1.771 -8.359 1.00 0.00 H new ATOM 1031 N ALA A 132 4.847 3.703 -7.960 1.00 0.00 N ATOM 1032 CA ALA A 132 3.674 3.647 -7.096 1.00 0.00 C ATOM 1033 C ALA A 132 2.396 3.909 -7.887 1.00 0.00 C ATOM 1034 O ALA A 132 1.562 3.019 -8.047 1.00 0.00 O ATOM 1035 CB ALA A 132 3.807 4.649 -5.959 1.00 0.00 C ATOM 0 H ALA A 132 5.519 4.429 -7.712 1.00 0.00 H new ATOM 0 HA ALA A 132 3.611 2.643 -6.676 1.00 0.00 H new ATOM 0 HB1 ALA A 132 2.924 4.596 -5.322 1.00 0.00 H new ATOM 0 HB2 ALA A 132 4.694 4.415 -5.370 1.00 0.00 H new ATOM 0 HB3 ALA A 132 3.899 5.655 -6.369 1.00 0.00 H new ATOM 1041 N GLU A 133 2.251 5.136 -8.379 1.00 0.00 N ATOM 1042 CA GLU A 133 1.074 5.514 -9.152 1.00 0.00 C ATOM 1043 C GLU A 133 0.616 4.363 -10.043 1.00 0.00 C ATOM 1044 O GLU A 133 -0.522 3.906 -9.949 1.00 0.00 O ATOM 1045 CB GLU A 133 1.372 6.748 -10.006 1.00 0.00 C ATOM 1046 CG GLU A 133 1.179 8.061 -9.266 1.00 0.00 C ATOM 1047 CD GLU A 133 -0.233 8.598 -9.391 1.00 0.00 C ATOM 1048 OE1 GLU A 133 -1.184 7.795 -9.290 1.00 0.00 O ATOM 1049 OE2 GLU A 133 -0.388 9.821 -9.590 1.00 0.00 O ATOM 0 H GLU A 133 2.933 5.884 -8.256 1.00 0.00 H new ATOM 0 HA GLU A 133 0.272 5.751 -8.453 1.00 0.00 H new ATOM 0 HB2 GLU A 133 2.399 6.691 -10.366 1.00 0.00 H new ATOM 0 HB3 GLU A 133 0.726 6.737 -10.884 1.00 0.00 H new ATOM 0 HG2 GLU A 133 1.418 7.918 -8.212 1.00 0.00 H new ATOM 0 HG3 GLU A 133 1.880 8.799 -9.655 1.00 0.00 H new ATOM 1056 N ASN A 134 1.512 3.900 -10.909 1.00 0.00 N ATOM 1057 CA ASN A 134 1.201 2.804 -11.819 1.00 0.00 C ATOM 1058 C ASN A 134 0.391 1.722 -11.110 1.00 0.00 C ATOM 1059 O ASN A 134 -0.675 1.323 -11.578 1.00 0.00 O ATOM 1060 CB ASN A 134 2.488 2.203 -12.386 1.00 0.00 C ATOM 1061 CG ASN A 134 2.233 1.333 -13.602 1.00 0.00 C ATOM 1062 OD1 ASN A 134 1.086 1.034 -13.936 1.00 0.00 O ATOM 1063 ND2 ASN A 134 3.304 0.922 -14.270 1.00 0.00 N ATOM 0 H ASN A 134 2.459 4.267 -10.999 1.00 0.00 H new ATOM 0 HA ASN A 134 0.603 3.204 -12.638 1.00 0.00 H new ATOM 0 HB2 ASN A 134 3.173 3.007 -12.655 1.00 0.00 H new ATOM 0 HB3 ASN A 134 2.979 1.610 -11.615 1.00 0.00 H new ATOM 0 HD21 ASN A 134 3.195 0.334 -15.096 1.00 0.00 H new ATOM 0 HD22 ASN A 134 4.236 1.194 -13.957 1.00 0.00 H new ATOM 1070 N ALA A 135 0.904 1.253 -9.978 1.00 0.00 N ATOM 1071 CA ALA A 135 0.228 0.220 -9.203 1.00 0.00 C ATOM 1072 C ALA A 135 -1.113 0.719 -8.675 1.00 0.00 C ATOM 1073 O ALA A 135 -2.156 0.119 -8.938 1.00 0.00 O ATOM 1074 CB ALA A 135 1.111 -0.241 -8.053 1.00 0.00 C ATOM 0 H ALA A 135 1.786 1.572 -9.577 1.00 0.00 H new ATOM 0 HA ALA A 135 0.037 -0.627 -9.862 1.00 0.00 H new ATOM 0 HB1 ALA A 135 0.593 -1.012 -7.483 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.042 -0.646 -8.449 1.00 0.00 H new ATOM 0 HB3 ALA A 135 1.331 0.605 -7.402 1.00 0.00 H new ATOM 1080 N ILE A 136 -1.078 1.818 -7.930 1.00 0.00 N ATOM 1081 CA ILE A 136 -2.292 2.397 -7.367 1.00 0.00 C ATOM 1082 C ILE A 136 -3.456 2.295 -8.346 1.00 0.00 C ATOM 1083 O ILE A 136 -4.601 2.089 -7.945 1.00 0.00 O ATOM 1084 CB ILE A 136 -2.085 3.875 -6.984 1.00 0.00 C ATOM 1085 CG1 ILE A 136 -0.993 4.000 -5.920 1.00 0.00 C ATOM 1086 CG2 ILE A 136 -3.389 4.480 -6.486 1.00 0.00 C ATOM 1087 CD1 ILE A 136 -0.613 5.431 -5.611 1.00 0.00 C ATOM 0 H ILE A 136 -0.223 2.325 -7.702 1.00 0.00 H new ATOM 0 HA ILE A 136 -2.526 1.826 -6.468 1.00 0.00 H new ATOM 0 HB ILE A 136 -1.767 4.424 -7.870 1.00 0.00 H new ATOM 0 HG12 ILE A 136 -1.332 3.517 -5.004 1.00 0.00 H new ATOM 0 HG13 ILE A 136 -0.107 3.461 -6.255 1.00 0.00 H new ATOM 0 HG21 ILE A 136 -3.227 5.524 -6.219 1.00 0.00 H new ATOM 0 HG22 ILE A 136 -4.142 4.419 -7.272 1.00 0.00 H new ATOM 0 HG23 ILE A 136 -3.734 3.931 -5.610 1.00 0.00 H new ATOM 0 HD11 ILE A 136 0.166 5.444 -4.849 1.00 0.00 H new ATOM 0 HD12 ILE A 136 -0.243 5.913 -6.516 1.00 0.00 H new ATOM 0 HD13 ILE A 136 -1.488 5.969 -5.245 1.00 0.00 H new ATOM 1099 N GLN A 137 -3.154 2.440 -9.633 1.00 0.00 N ATOM 1100 CA GLN A 137 -4.176 2.363 -10.670 1.00 0.00 C ATOM 1101 C GLN A 137 -4.425 0.916 -11.082 1.00 0.00 C ATOM 1102 O GLN A 137 -5.522 0.390 -10.898 1.00 0.00 O ATOM 1103 CB GLN A 137 -3.759 3.189 -11.888 1.00 0.00 C ATOM 1104 CG GLN A 137 -3.318 4.602 -11.544 1.00 0.00 C ATOM 1105 CD GLN A 137 -2.372 5.186 -12.574 1.00 0.00 C ATOM 1106 OE1 GLN A 137 -1.339 4.429 -12.926 1.00 0.00 O flip ATOM 1107 NE2 GLN A 137 -2.567 6.306 -13.049 1.00 0.00 N flip ATOM 0 H GLN A 137 -2.211 2.611 -9.982 1.00 0.00 H new ATOM 0 HA GLN A 137 -5.102 2.770 -10.264 1.00 0.00 H new ATOM 0 HB2 GLN A 137 -2.944 2.678 -12.401 1.00 0.00 H new ATOM 0 HB3 GLN A 137 -4.594 3.238 -12.586 1.00 0.00 H new ATOM 0 HG2 GLN A 137 -4.196 5.242 -11.459 1.00 0.00 H new ATOM 0 HG3 GLN A 137 -2.830 4.599 -10.569 1.00 0.00 H new ATOM 0 HE21 GLN A 137 -3.374 6.853 -12.750 1.00 0.00 H new ATOM 0 HE22 GLN A 137 -1.922 6.686 -13.742 1.00 0.00 H new ATOM 1116 N GLN A 138 -3.400 0.280 -11.641 1.00 0.00 N ATOM 1117 CA GLN A 138 -3.510 -1.106 -12.080 1.00 0.00 C ATOM 1118 C GLN A 138 -3.869 -2.020 -10.913 1.00 0.00 C ATOM 1119 O GLN A 138 -4.920 -2.661 -10.916 1.00 0.00 O ATOM 1120 CB GLN A 138 -2.198 -1.566 -12.718 1.00 0.00 C ATOM 1121 CG GLN A 138 -1.706 -0.649 -13.826 1.00 0.00 C ATOM 1122 CD GLN A 138 -0.914 -1.388 -14.886 1.00 0.00 C ATOM 1123 OE1 GLN A 138 -1.512 -2.429 -15.454 1.00 0.00 O flip ATOM 1124 NE2 GLN A 138 0.224 -1.028 -15.192 1.00 0.00 N flip ATOM 0 H GLN A 138 -2.485 0.702 -11.800 1.00 0.00 H new ATOM 0 HA GLN A 138 -4.307 -1.164 -12.821 1.00 0.00 H new ATOM 0 HB2 GLN A 138 -1.432 -1.632 -11.946 1.00 0.00 H new ATOM 0 HB3 GLN A 138 -2.332 -2.570 -13.121 1.00 0.00 H new ATOM 0 HG2 GLN A 138 -2.560 -0.158 -14.292 1.00 0.00 H new ATOM 0 HG3 GLN A 138 -1.084 0.135 -13.394 1.00 0.00 H new ATOM 0 HE21 GLN A 138 0.646 -0.222 -14.730 1.00 0.00 H new ATOM 0 HE22 GLN A 138 0.744 -1.536 -15.907 1.00 0.00 H new ATOM 1133 N MET A 139 -2.991 -2.074 -9.918 1.00 0.00 N ATOM 1134 CA MET A 139 -3.217 -2.909 -8.744 1.00 0.00 C ATOM 1135 C MET A 139 -4.586 -2.630 -8.133 1.00 0.00 C ATOM 1136 O MET A 139 -5.245 -3.534 -7.623 1.00 0.00 O ATOM 1137 CB MET A 139 -2.122 -2.670 -7.702 1.00 0.00 C ATOM 1138 CG MET A 139 -0.738 -3.091 -8.167 1.00 0.00 C ATOM 1139 SD MET A 139 -0.670 -4.823 -8.664 1.00 0.00 S ATOM 1140 CE MET A 139 -1.357 -5.619 -7.215 1.00 0.00 C ATOM 0 H MET A 139 -2.116 -1.550 -9.901 1.00 0.00 H new ATOM 0 HA MET A 139 -3.186 -3.952 -9.060 1.00 0.00 H new ATOM 0 HB2 MET A 139 -2.103 -1.611 -7.443 1.00 0.00 H new ATOM 0 HB3 MET A 139 -2.372 -3.216 -6.792 1.00 0.00 H new ATOM 0 HG2 MET A 139 -0.434 -2.464 -9.005 1.00 0.00 H new ATOM 0 HG3 MET A 139 -0.021 -2.919 -7.364 1.00 0.00 H new ATOM 0 HE1 MET A 139 -1.066 -6.669 -7.204 1.00 0.00 H new ATOM 0 HE2 MET A 139 -0.980 -5.129 -6.317 1.00 0.00 H new ATOM 0 HE3 MET A 139 -2.444 -5.544 -7.240 1.00 0.00 H new ATOM 1150 N GLY A 140 -5.008 -1.370 -8.189 1.00 0.00 N ATOM 1151 CA GLY A 140 -6.297 -0.994 -7.638 1.00 0.00 C ATOM 1152 C GLY A 140 -7.435 -1.817 -8.209 1.00 0.00 C ATOM 1153 O GLY A 140 -7.914 -1.547 -9.309 1.00 0.00 O ATOM 0 H GLY A 140 -4.480 -0.603 -8.606 1.00 0.00 H new ATOM 0 HA2 GLY A 140 -6.274 -1.114 -6.555 1.00 0.00 H new ATOM 0 HA3 GLY A 140 -6.480 0.062 -7.838 1.00 0.00 H new ATOM 1157 N GLY A 141 -7.867 -2.827 -7.460 1.00 0.00 N ATOM 1158 CA GLY A 141 -8.951 -3.678 -7.916 1.00 0.00 C ATOM 1159 C GLY A 141 -8.488 -5.086 -8.235 1.00 0.00 C ATOM 1160 O GLY A 141 -9.291 -6.017 -8.266 1.00 0.00 O ATOM 0 H GLY A 141 -7.486 -3.071 -6.546 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -9.724 -3.718 -7.149 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -9.405 -3.238 -8.804 1.00 0.00 H new ATOM 1164 N GLN A 142 -7.189 -5.240 -8.475 1.00 0.00 N ATOM 1165 CA GLN A 142 -6.622 -6.544 -8.796 1.00 0.00 C ATOM 1166 C GLN A 142 -6.933 -7.558 -7.700 1.00 0.00 C ATOM 1167 O GLN A 142 -7.585 -7.233 -6.707 1.00 0.00 O ATOM 1168 CB GLN A 142 -5.109 -6.432 -8.989 1.00 0.00 C ATOM 1169 CG GLN A 142 -4.704 -6.014 -10.394 1.00 0.00 C ATOM 1170 CD GLN A 142 -5.490 -6.741 -11.468 1.00 0.00 C ATOM 1171 OE1 GLN A 142 -5.136 -7.850 -11.869 1.00 0.00 O ATOM 1172 NE2 GLN A 142 -6.563 -6.118 -11.940 1.00 0.00 N ATOM 0 H GLN A 142 -6.511 -4.478 -8.453 1.00 0.00 H new ATOM 0 HA GLN A 142 -7.075 -6.890 -9.725 1.00 0.00 H new ATOM 0 HB2 GLN A 142 -4.713 -5.710 -8.276 1.00 0.00 H new ATOM 0 HB3 GLN A 142 -4.650 -7.393 -8.758 1.00 0.00 H new ATOM 0 HG2 GLN A 142 -4.851 -4.940 -10.506 1.00 0.00 H new ATOM 0 HG3 GLN A 142 -3.640 -6.207 -10.534 1.00 0.00 H new ATOM 0 HE21 GLN A 142 -6.820 -5.199 -11.579 1.00 0.00 H new ATOM 0 HE22 GLN A 142 -7.131 -6.558 -12.664 1.00 0.00 H new ATOM 1181 N TRP A 143 -6.462 -8.786 -7.886 1.00 0.00 N ATOM 1182 CA TRP A 143 -6.690 -9.847 -6.912 1.00 0.00 C ATOM 1183 C TRP A 143 -5.373 -10.333 -6.318 1.00 0.00 C ATOM 1184 O TRP A 143 -4.462 -10.732 -7.044 1.00 0.00 O ATOM 1185 CB TRP A 143 -7.431 -11.015 -7.565 1.00 0.00 C ATOM 1186 CG TRP A 143 -8.886 -10.741 -7.797 1.00 0.00 C ATOM 1187 CD1 TRP A 143 -9.424 -9.665 -8.443 1.00 0.00 C ATOM 1188 CD2 TRP A 143 -9.988 -11.555 -7.383 1.00 0.00 C ATOM 1189 NE1 TRP A 143 -10.795 -9.761 -8.455 1.00 0.00 N ATOM 1190 CE2 TRP A 143 -11.166 -10.912 -7.812 1.00 0.00 C ATOM 1191 CE3 TRP A 143 -10.096 -12.766 -6.693 1.00 0.00 C ATOM 1192 CZ2 TRP A 143 -12.432 -11.440 -7.572 1.00 0.00 C ATOM 1193 CZ3 TRP A 143 -11.353 -13.288 -6.455 1.00 0.00 C ATOM 1194 CH2 TRP A 143 -12.507 -12.626 -6.894 1.00 0.00 C ATOM 0 H TRP A 143 -5.920 -9.071 -8.702 1.00 0.00 H new ATOM 0 HA TRP A 143 -7.302 -9.442 -6.106 1.00 0.00 H new ATOM 0 HB2 TRP A 143 -6.957 -11.250 -8.518 1.00 0.00 H new ATOM 0 HB3 TRP A 143 -7.331 -11.898 -6.933 1.00 0.00 H new ATOM 0 HD1 TRP A 143 -8.856 -8.857 -8.880 1.00 0.00 H new ATOM 0 HE1 TRP A 143 -11.433 -9.085 -8.875 1.00 0.00 H new ATOM 0 HE3 TRP A 143 -9.212 -13.285 -6.352 1.00 0.00 H new ATOM 0 HZ2 TRP A 143 -13.323 -10.931 -7.909 1.00 0.00 H new ATOM 0 HZ3 TRP A 143 -11.447 -14.222 -5.921 1.00 0.00 H new ATOM 0 HH2 TRP A 143 -13.475 -13.061 -6.693 1.00 0.00 H new ATOM 1205 N LEU A 144 -5.278 -10.297 -4.993 1.00 0.00 N ATOM 1206 CA LEU A 144 -4.070 -10.734 -4.301 1.00 0.00 C ATOM 1207 C LEU A 144 -4.391 -11.825 -3.284 1.00 0.00 C ATOM 1208 O LEU A 144 -5.284 -11.669 -2.452 1.00 0.00 O ATOM 1209 CB LEU A 144 -3.402 -9.549 -3.601 1.00 0.00 C ATOM 1210 CG LEU A 144 -2.117 -9.861 -2.833 1.00 0.00 C ATOM 1211 CD1 LEU A 144 -0.997 -10.228 -3.794 1.00 0.00 C ATOM 1212 CD2 LEU A 144 -1.713 -8.676 -1.967 1.00 0.00 C ATOM 0 H LEU A 144 -6.022 -9.970 -4.377 1.00 0.00 H new ATOM 0 HA LEU A 144 -3.384 -11.143 -5.042 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -3.179 -8.789 -4.350 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -4.119 -9.111 -2.907 1.00 0.00 H new ATOM 0 HG LEU A 144 -2.303 -10.715 -2.182 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -0.090 -10.447 -3.230 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -1.286 -11.106 -4.371 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -0.811 -9.394 -4.471 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -0.797 -8.915 -1.427 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -1.545 -7.804 -2.599 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -2.508 -8.459 -1.254 1.00 0.00 H new ATOM 1224 N GLY A 145 -3.654 -12.929 -3.356 1.00 0.00 N ATOM 1225 CA GLY A 145 -3.874 -14.029 -2.435 1.00 0.00 C ATOM 1226 C GLY A 145 -5.177 -14.756 -2.700 1.00 0.00 C ATOM 1227 O GLY A 145 -5.483 -15.754 -2.049 1.00 0.00 O ATOM 0 H GLY A 145 -2.909 -13.081 -4.035 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -3.046 -14.734 -2.512 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -3.875 -13.649 -1.414 1.00 0.00 H new ATOM 1231 N GLY A 146 -5.950 -14.253 -3.658 1.00 0.00 N ATOM 1232 CA GLY A 146 -7.219 -14.872 -3.989 1.00 0.00 C ATOM 1233 C GLY A 146 -8.389 -13.924 -3.817 1.00 0.00 C ATOM 1234 O GLY A 146 -9.495 -14.201 -4.283 1.00 0.00 O ATOM 0 H GLY A 146 -5.719 -13.427 -4.211 1.00 0.00 H new ATOM 0 HA2 GLY A 146 -7.190 -15.225 -5.020 1.00 0.00 H new ATOM 0 HA3 GLY A 146 -7.369 -15.747 -3.357 1.00 0.00 H new ATOM 1238 N ARG A 147 -8.147 -12.803 -3.146 1.00 0.00 N ATOM 1239 CA ARG A 147 -9.190 -11.812 -2.911 1.00 0.00 C ATOM 1240 C ARG A 147 -8.781 -10.450 -3.465 1.00 0.00 C ATOM 1241 O ARG A 147 -7.601 -10.102 -3.470 1.00 0.00 O ATOM 1242 CB ARG A 147 -9.488 -11.698 -1.415 1.00 0.00 C ATOM 1243 CG ARG A 147 -10.493 -12.722 -0.914 1.00 0.00 C ATOM 1244 CD ARG A 147 -10.460 -12.839 0.602 1.00 0.00 C ATOM 1245 NE ARG A 147 -11.259 -13.964 1.081 1.00 0.00 N ATOM 1246 CZ ARG A 147 -11.601 -14.133 2.353 1.00 0.00 C ATOM 1247 NH1 ARG A 147 -11.218 -13.255 3.269 1.00 0.00 N ATOM 1248 NH2 ARG A 147 -12.330 -15.183 2.712 1.00 0.00 N ATOM 0 H ARG A 147 -7.237 -12.558 -2.755 1.00 0.00 H new ATOM 0 HA ARG A 147 -10.091 -12.140 -3.429 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -8.558 -11.812 -0.858 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -9.865 -10.698 -1.204 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -11.495 -12.438 -1.236 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -10.278 -13.693 -1.360 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -9.429 -12.959 0.934 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -10.832 -11.915 1.045 1.00 0.00 H new ATOM 0 HE ARG A 147 -11.571 -14.658 0.401 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -10.659 -12.446 2.998 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -11.483 -13.388 4.245 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -12.628 -15.861 2.010 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -12.592 -15.312 3.689 1.00 0.00 H new ATOM 1262 N GLN A 148 -9.764 -9.686 -3.930 1.00 0.00 N ATOM 1263 CA GLN A 148 -9.506 -8.364 -4.486 1.00 0.00 C ATOM 1264 C GLN A 148 -8.755 -7.490 -3.487 1.00 0.00 C ATOM 1265 O GLN A 148 -8.675 -7.814 -2.302 1.00 0.00 O ATOM 1266 CB GLN A 148 -10.819 -7.689 -4.885 1.00 0.00 C ATOM 1267 CG GLN A 148 -11.285 -8.046 -6.287 1.00 0.00 C ATOM 1268 CD GLN A 148 -12.389 -7.134 -6.785 1.00 0.00 C ATOM 1269 OE1 GLN A 148 -13.555 -7.297 -6.424 1.00 0.00 O ATOM 1270 NE2 GLN A 148 -12.027 -6.167 -7.620 1.00 0.00 N ATOM 0 H GLN A 148 -10.746 -9.960 -3.933 1.00 0.00 H new ATOM 0 HA GLN A 148 -8.885 -8.487 -5.373 1.00 0.00 H new ATOM 0 HB2 GLN A 148 -11.594 -7.969 -4.171 1.00 0.00 H new ATOM 0 HB3 GLN A 148 -10.698 -6.608 -4.816 1.00 0.00 H new ATOM 0 HG2 GLN A 148 -10.439 -7.993 -6.972 1.00 0.00 H new ATOM 0 HG3 GLN A 148 -11.639 -9.077 -6.297 1.00 0.00 H new ATOM 0 HE21 GLN A 148 -11.049 -6.068 -7.893 1.00 0.00 H new ATOM 0 HE22 GLN A 148 -12.727 -5.523 -7.989 1.00 0.00 H new ATOM 1279 N ILE A 149 -8.206 -6.382 -3.973 1.00 0.00 N ATOM 1280 CA ILE A 149 -7.462 -5.462 -3.122 1.00 0.00 C ATOM 1281 C ILE A 149 -7.800 -4.012 -3.453 1.00 0.00 C ATOM 1282 O ILE A 149 -8.150 -3.689 -4.588 1.00 0.00 O ATOM 1283 CB ILE A 149 -5.942 -5.668 -3.264 1.00 0.00 C ATOM 1284 CG1 ILE A 149 -5.473 -5.231 -4.653 1.00 0.00 C ATOM 1285 CG2 ILE A 149 -5.579 -7.123 -3.010 1.00 0.00 C ATOM 1286 CD1 ILE A 149 -3.984 -4.980 -4.737 1.00 0.00 C ATOM 0 H ILE A 149 -8.262 -6.100 -4.952 1.00 0.00 H new ATOM 0 HA ILE A 149 -7.755 -5.676 -2.094 1.00 0.00 H new ATOM 0 HB ILE A 149 -5.436 -5.052 -2.520 1.00 0.00 H new ATOM 0 HG12 ILE A 149 -5.745 -5.998 -5.378 1.00 0.00 H new ATOM 0 HG13 ILE A 149 -6.003 -4.322 -4.937 1.00 0.00 H new ATOM 0 HG21 ILE A 149 -4.502 -7.253 -3.114 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -5.883 -7.403 -2.001 1.00 0.00 H new ATOM 0 HG23 ILE A 149 -6.092 -7.758 -3.733 1.00 0.00 H new ATOM 0 HD11 ILE A 149 -3.723 -4.674 -5.750 1.00 0.00 H new ATOM 0 HD12 ILE A 149 -3.708 -4.191 -4.037 1.00 0.00 H new ATOM 0 HD13 ILE A 149 -3.446 -5.894 -4.484 1.00 0.00 H new ATOM 1298 N ARG A 150 -7.692 -3.142 -2.454 1.00 0.00 N ATOM 1299 CA ARG A 150 -7.985 -1.726 -2.638 1.00 0.00 C ATOM 1300 C ARG A 150 -6.724 -0.883 -2.472 1.00 0.00 C ATOM 1301 O ARG A 150 -6.205 -0.733 -1.366 1.00 0.00 O ATOM 1302 CB ARG A 150 -9.051 -1.270 -1.640 1.00 0.00 C ATOM 1303 CG ARG A 150 -8.633 -1.429 -0.187 1.00 0.00 C ATOM 1304 CD ARG A 150 -9.817 -1.270 0.754 1.00 0.00 C ATOM 1305 NE ARG A 150 -9.408 -1.287 2.156 1.00 0.00 N ATOM 1306 CZ ARG A 150 -10.216 -1.631 3.153 1.00 0.00 C ATOM 1307 NH1 ARG A 150 -11.469 -1.985 2.903 1.00 0.00 N ATOM 1308 NH2 ARG A 150 -9.770 -1.621 4.402 1.00 0.00 N ATOM 0 H ARG A 150 -7.404 -3.393 -1.508 1.00 0.00 H new ATOM 0 HA ARG A 150 -8.362 -1.588 -3.651 1.00 0.00 H new ATOM 0 HB2 ARG A 150 -9.289 -0.223 -1.828 1.00 0.00 H new ATOM 0 HB3 ARG A 150 -9.964 -1.840 -1.811 1.00 0.00 H new ATOM 0 HG2 ARG A 150 -8.181 -2.410 -0.043 1.00 0.00 H new ATOM 0 HG3 ARG A 150 -7.871 -0.688 0.057 1.00 0.00 H new ATOM 0 HD2 ARG A 150 -10.329 -0.333 0.537 1.00 0.00 H new ATOM 0 HD3 ARG A 150 -10.532 -2.073 0.575 1.00 0.00 H new ATOM 0 HE ARG A 150 -8.450 -1.020 2.382 1.00 0.00 H new ATOM 0 HH11 ARG A 150 -11.815 -1.994 1.943 1.00 0.00 H new ATOM 0 HH12 ARG A 150 -12.087 -2.249 3.670 1.00 0.00 H new ATOM 0 HH21 ARG A 150 -8.806 -1.349 4.597 1.00 0.00 H new ATOM 0 HH22 ARG A 150 -10.391 -1.885 5.167 1.00 0.00 H new ATOM 1322 N THR A 151 -6.235 -0.335 -3.580 1.00 0.00 N ATOM 1323 CA THR A 151 -5.035 0.491 -3.558 1.00 0.00 C ATOM 1324 C THR A 151 -5.378 1.965 -3.740 1.00 0.00 C ATOM 1325 O THR A 151 -6.264 2.314 -4.519 1.00 0.00 O ATOM 1326 CB THR A 151 -4.042 0.068 -4.657 1.00 0.00 C ATOM 1327 OG1 THR A 151 -4.625 0.270 -5.949 1.00 0.00 O ATOM 1328 CG2 THR A 151 -3.647 -1.392 -4.496 1.00 0.00 C ATOM 0 H THR A 151 -6.652 -0.449 -4.504 1.00 0.00 H new ATOM 0 HA THR A 151 -4.570 0.347 -2.583 1.00 0.00 H new ATOM 0 HB THR A 151 -3.147 0.683 -4.563 1.00 0.00 H new ATOM 0 HG1 THR A 151 -4.427 1.178 -6.259 1.00 0.00 H new ATOM 0 HG21 THR A 151 -2.945 -1.668 -5.283 1.00 0.00 H new ATOM 0 HG22 THR A 151 -3.177 -1.537 -3.523 1.00 0.00 H new ATOM 0 HG23 THR A 151 -4.536 -2.019 -4.566 1.00 0.00 H new ATOM 1336 N ASN A 152 -4.671 2.827 -3.015 1.00 0.00 N ATOM 1337 CA ASN A 152 -4.902 4.264 -3.097 1.00 0.00 C ATOM 1338 C ASN A 152 -3.771 5.036 -2.423 1.00 0.00 C ATOM 1339 O ASN A 152 -2.816 4.444 -1.920 1.00 0.00 O ATOM 1340 CB ASN A 152 -6.239 4.625 -2.447 1.00 0.00 C ATOM 1341 CG ASN A 152 -6.171 4.597 -0.932 1.00 0.00 C ATOM 1342 OD1 ASN A 152 -5.223 5.103 -0.332 1.00 0.00 O ATOM 1343 ND2 ASN A 152 -7.181 4.003 -0.306 1.00 0.00 N ATOM 0 H ASN A 152 -3.934 2.555 -2.365 1.00 0.00 H new ATOM 0 HA ASN A 152 -4.931 4.543 -4.150 1.00 0.00 H new ATOM 0 HB2 ASN A 152 -6.543 5.619 -2.776 1.00 0.00 H new ATOM 0 HB3 ASN A 152 -7.005 3.928 -2.787 1.00 0.00 H new ATOM 0 HD21 ASN A 152 -7.191 3.953 0.713 1.00 0.00 H new ATOM 0 HD22 ASN A 152 -7.946 3.597 -0.844 1.00 0.00 H new ATOM 1350 N TRP A 153 -3.887 6.359 -2.418 1.00 0.00 N ATOM 1351 CA TRP A 153 -2.874 7.212 -1.805 1.00 0.00 C ATOM 1352 C TRP A 153 -2.969 7.163 -0.284 1.00 0.00 C ATOM 1353 O TRP A 153 -4.060 7.234 0.281 1.00 0.00 O ATOM 1354 CB TRP A 153 -3.030 8.653 -2.292 1.00 0.00 C ATOM 1355 CG TRP A 153 -2.440 8.889 -3.649 1.00 0.00 C ATOM 1356 CD1 TRP A 153 -3.090 9.353 -4.757 1.00 0.00 C ATOM 1357 CD2 TRP A 153 -1.080 8.669 -4.042 1.00 0.00 C ATOM 1358 NE1 TRP A 153 -2.217 9.435 -5.815 1.00 0.00 N ATOM 1359 CE2 TRP A 153 -0.978 9.022 -5.402 1.00 0.00 C ATOM 1360 CE3 TRP A 153 0.060 8.211 -3.378 1.00 0.00 C ATOM 1361 CZ2 TRP A 153 0.219 8.930 -6.107 1.00 0.00 C ATOM 1362 CZ3 TRP A 153 1.248 8.119 -4.079 1.00 0.00 C ATOM 1363 CH2 TRP A 153 1.320 8.478 -5.431 1.00 0.00 C ATOM 0 H TRP A 153 -4.671 6.864 -2.831 1.00 0.00 H new ATOM 0 HA TRP A 153 -1.893 6.840 -2.101 1.00 0.00 H new ATOM 0 HB2 TRP A 153 -4.089 8.908 -2.315 1.00 0.00 H new ATOM 0 HB3 TRP A 153 -2.556 9.324 -1.576 1.00 0.00 H new ATOM 0 HD1 TRP A 153 -4.137 9.617 -4.796 1.00 0.00 H new ATOM 0 HE1 TRP A 153 -2.453 9.752 -6.755 1.00 0.00 H new ATOM 0 HE3 TRP A 153 0.014 7.934 -2.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 153 0.277 9.205 -7.150 1.00 0.00 H new ATOM 0 HZ3 TRP A 153 2.135 7.764 -3.576 1.00 0.00 H new ATOM 0 HH2 TRP A 153 2.263 8.397 -5.951 1.00 0.00 H new