USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 583 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 82 LYS NZ :NH3+ -178:sc= 0 (180deg=0) USER MOD Set 1.2: A 84 GLN : amide:sc= 0.145 X(o=-2.3,f=-2.6) USER MOD Set 1.3: A 123 ASN : amide:sc= -2.45! C(o=-2.3!,f=-4.5!) USER MOD Single : A 87 ASN : amide:sc= -1.78! C(o=-1.8!,f=-1.9!) USER MOD Single : A 91 HIS : no HD1:sc= -0.203 X(o=-0.2,f=-0.0066) USER MOD Single : A 93 GLN : amide:sc= -0.325 K(o=-0.33,f=-0.96) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -1.86 K(o=-1.9,f=-5.4!) USER MOD Single : A 104 TYR OH : rot 150:sc= -0.276 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot -55:sc= 0 USER MOD Single : A 112 GLN :FLIP amide:sc= -1.98 F(o=-3.8!,f=-2) USER MOD Single : A 114 ASN : amide:sc= -0.446 X(o=-0.45,f=-0.33) USER MOD Single : A 115 THR OG1 : rot -45:sc= 0.95 USER MOD Single : A 117 SER OG : rot 180:sc= -0.116 USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 THR OG1 : rot 180:sc= -0.0216 USER MOD Single : A 126 TYR OH : rot -10:sc= 0.509 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0791) USER MOD Single : A 131 GLN : amide:sc= -5.85! C(o=-5.8!,f=-9.8!) USER MOD Single : A 134 GLN : amide:sc= -0.0728 K(o=-0.073,f=-1.7!) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 ASN : amide:sc= -1.7 K(o=-1.7,f=-4.4!) USER MOD Single : A 143 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 146 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 TYR OH : rot 30:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 237 N LYS A 82 9.732 -0.783 -3.322 1.00 0.00 N ATOM 238 CA LYS A 82 9.032 -0.533 -2.068 1.00 0.00 C ATOM 239 C LYS A 82 7.721 0.207 -2.314 1.00 0.00 C ATOM 240 O LYS A 82 7.616 1.013 -3.239 1.00 0.00 O ATOM 241 CB LYS A 82 9.917 0.278 -1.118 1.00 0.00 C ATOM 242 CG LYS A 82 9.654 -0.006 0.350 1.00 0.00 C ATOM 243 CD LYS A 82 9.952 1.207 1.215 1.00 0.00 C ATOM 244 CE LYS A 82 11.361 1.728 0.979 1.00 0.00 C ATOM 245 NZ LYS A 82 11.508 3.146 1.407 1.00 0.00 N ATOM 0 HA LYS A 82 8.805 -1.496 -1.610 1.00 0.00 H new ATOM 0 HB2 LYS A 82 10.963 0.065 -1.339 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.761 1.340 -1.307 1.00 0.00 H new ATOM 0 HG2 LYS A 82 8.614 -0.302 0.483 1.00 0.00 H new ATOM 0 HG3 LYS A 82 10.269 -0.845 0.675 1.00 0.00 H new ATOM 0 HD2 LYS A 82 9.231 1.995 0.999 1.00 0.00 H new ATOM 0 HD3 LYS A 82 9.832 0.944 2.266 1.00 0.00 H new ATOM 0 HE2 LYS A 82 12.073 1.109 1.524 1.00 0.00 H new ATOM 0 HE3 LYS A 82 11.608 1.641 -0.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 12.473 3.473 1.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 10.823 3.736 0.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 11.331 3.220 2.429 1.00 0.00 H new ATOM 259 N LEU A 83 6.725 -0.071 -1.480 1.00 0.00 N ATOM 260 CA LEU A 83 5.420 0.569 -1.607 1.00 0.00 C ATOM 261 C LEU A 83 5.151 1.494 -0.424 1.00 0.00 C ATOM 262 O LEU A 83 5.493 1.176 0.715 1.00 0.00 O ATOM 263 CB LEU A 83 4.319 -0.487 -1.704 1.00 0.00 C ATOM 264 CG LEU A 83 4.165 -1.174 -3.062 1.00 0.00 C ATOM 265 CD1 LEU A 83 3.273 -2.399 -2.942 1.00 0.00 C ATOM 266 CD2 LEU A 83 3.605 -0.202 -4.090 1.00 0.00 C ATOM 0 H LEU A 83 6.796 -0.735 -0.709 1.00 0.00 H new ATOM 0 HA LEU A 83 5.422 1.166 -2.519 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.510 -1.252 -0.952 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.369 -0.018 -1.447 1.00 0.00 H new ATOM 0 HG LEU A 83 5.150 -1.499 -3.398 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.175 -2.875 -3.918 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.715 -3.104 -2.238 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.288 -2.098 -2.584 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.502 -0.707 -5.050 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.629 0.154 -3.760 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.283 0.645 -4.197 1.00 0.00 H new ATOM 278 N GLN A 84 4.534 2.638 -0.702 1.00 0.00 N ATOM 279 CA GLN A 84 4.217 3.608 0.340 1.00 0.00 C ATOM 280 C GLN A 84 2.709 3.726 0.533 1.00 0.00 C ATOM 281 O GLN A 84 1.961 3.884 -0.431 1.00 0.00 O ATOM 282 CB GLN A 84 4.807 4.975 -0.010 1.00 0.00 C ATOM 283 CG GLN A 84 4.367 6.086 0.929 1.00 0.00 C ATOM 284 CD GLN A 84 5.400 7.188 1.055 1.00 0.00 C ATOM 285 OE1 GLN A 84 5.309 8.220 0.389 1.00 0.00 O ATOM 286 NE2 GLN A 84 6.392 6.974 1.912 1.00 0.00 N ATOM 0 H GLN A 84 4.244 2.916 -1.640 1.00 0.00 H new ATOM 0 HA GLN A 84 4.658 3.258 1.273 1.00 0.00 H new ATOM 0 HB2 GLN A 84 5.895 4.907 0.006 1.00 0.00 H new ATOM 0 HB3 GLN A 84 4.519 5.236 -1.028 1.00 0.00 H new ATOM 0 HG2 GLN A 84 3.430 6.511 0.569 1.00 0.00 H new ATOM 0 HG3 GLN A 84 4.168 5.666 1.915 1.00 0.00 H new ATOM 0 HE21 GLN A 84 6.428 6.104 2.443 1.00 0.00 H new ATOM 0 HE22 GLN A 84 7.118 7.680 2.039 1.00 0.00 H new ATOM 295 N ILE A 85 2.271 3.647 1.785 1.00 0.00 N ATOM 296 CA ILE A 85 0.852 3.746 2.104 1.00 0.00 C ATOM 297 C ILE A 85 0.563 4.983 2.948 1.00 0.00 C ATOM 298 O ILE A 85 1.227 5.230 3.954 1.00 0.00 O ATOM 299 CB ILE A 85 0.356 2.497 2.858 1.00 0.00 C ATOM 300 CG1 ILE A 85 0.599 1.240 2.021 1.00 0.00 C ATOM 301 CG2 ILE A 85 -1.120 2.636 3.200 1.00 0.00 C ATOM 302 CD1 ILE A 85 0.037 -0.019 2.645 1.00 0.00 C ATOM 0 H ILE A 85 2.878 3.515 2.594 1.00 0.00 H new ATOM 0 HA ILE A 85 0.320 3.824 1.156 1.00 0.00 H new ATOM 0 HB ILE A 85 0.917 2.405 3.788 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.154 1.378 1.036 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.671 1.114 1.871 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.456 1.746 3.732 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.266 3.513 3.831 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.697 2.749 2.282 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.246 -0.871 1.997 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.500 -0.181 3.618 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.041 0.086 2.769 1.00 0.00 H new ATOM 314 N ARG A 86 -0.434 5.757 2.531 1.00 0.00 N ATOM 315 CA ARG A 86 -0.811 6.969 3.248 1.00 0.00 C ATOM 316 C ARG A 86 -2.321 7.023 3.466 1.00 0.00 C ATOM 317 O ARG A 86 -3.046 6.103 3.090 1.00 0.00 O ATOM 318 CB ARG A 86 -0.352 8.208 2.477 1.00 0.00 C ATOM 319 CG ARG A 86 1.153 8.420 2.506 1.00 0.00 C ATOM 320 CD ARG A 86 1.581 9.507 1.533 1.00 0.00 C ATOM 321 NE ARG A 86 1.240 10.842 2.020 1.00 0.00 N ATOM 322 CZ ARG A 86 1.290 11.934 1.265 1.00 0.00 C ATOM 323 NH1 ARG A 86 1.664 11.850 -0.004 1.00 0.00 N ATOM 324 NH2 ARG A 86 0.965 13.113 1.780 1.00 0.00 N ATOM 0 H ARG A 86 -0.995 5.566 1.701 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.320 6.953 4.221 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.679 8.122 1.441 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.842 9.088 2.894 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.464 8.690 3.515 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.658 7.487 2.256 1.00 0.00 H new ATOM 0 HD2 ARG A 86 2.657 9.444 1.370 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.102 9.339 0.568 1.00 0.00 H new ATOM 0 HE ARG A 86 0.948 10.941 2.992 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.914 10.945 -0.403 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.701 12.690 -0.581 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.677 13.181 2.756 1.00 0.00 H new ATOM 0 HH22 ARG A 86 1.004 13.951 1.200 1.00 0.00 H new ATOM 338 N ASN A 87 -2.786 8.108 4.076 1.00 0.00 N ATOM 339 CA ASN A 87 -4.209 8.282 4.346 1.00 0.00 C ATOM 340 C ASN A 87 -4.723 7.192 5.280 1.00 0.00 C ATOM 341 O ASN A 87 -5.888 6.798 5.210 1.00 0.00 O ATOM 342 CB ASN A 87 -5.003 8.265 3.038 1.00 0.00 C ATOM 343 CG ASN A 87 -5.157 9.648 2.436 1.00 0.00 C ATOM 344 OD1 ASN A 87 -4.243 10.470 2.500 1.00 0.00 O ATOM 345 ND2 ASN A 87 -6.318 9.911 1.847 1.00 0.00 N ATOM 0 H ASN A 87 -2.199 8.880 4.393 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.345 9.247 4.834 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -4.503 7.614 2.321 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -5.990 7.840 3.221 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -6.480 10.825 1.424 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -7.048 9.199 1.818 1.00 0.00 H new ATOM 352 N ILE A 88 -3.847 6.709 6.155 1.00 0.00 N ATOM 353 CA ILE A 88 -4.213 5.665 7.105 1.00 0.00 C ATOM 354 C ILE A 88 -4.870 6.258 8.347 1.00 0.00 C ATOM 355 O ILE A 88 -4.354 7.186 8.970 1.00 0.00 O ATOM 356 CB ILE A 88 -2.986 4.838 7.532 1.00 0.00 C ATOM 357 CG1 ILE A 88 -2.522 3.943 6.382 1.00 0.00 C ATOM 358 CG2 ILE A 88 -3.313 4.004 8.762 1.00 0.00 C ATOM 359 CD1 ILE A 88 -1.099 3.453 6.535 1.00 0.00 C ATOM 0 H ILE A 88 -2.879 7.024 6.226 1.00 0.00 H new ATOM 0 HA ILE A 88 -4.923 5.011 6.598 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.175 5.521 7.785 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.188 3.083 6.310 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.610 4.494 5.445 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.437 3.425 9.052 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.601 4.662 9.582 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.136 3.327 8.534 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.837 2.824 5.684 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.423 4.307 6.577 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.010 2.874 7.455 1.00 0.00 H new ATOM 371 N PRO A 89 -6.037 5.710 8.717 1.00 0.00 N ATOM 372 CA PRO A 89 -6.790 6.168 9.889 1.00 0.00 C ATOM 373 C PRO A 89 -6.095 5.812 11.199 1.00 0.00 C ATOM 374 O PRO A 89 -5.789 4.651 11.472 1.00 0.00 O ATOM 375 CB PRO A 89 -8.121 5.420 9.770 1.00 0.00 C ATOM 376 CG PRO A 89 -7.800 4.200 8.977 1.00 0.00 C ATOM 377 CD PRO A 89 -6.712 4.602 8.021 1.00 0.00 C ATOM 0 HA PRO A 89 -6.895 7.253 9.908 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -8.519 5.161 10.751 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -8.875 6.030 9.271 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -7.469 3.389 9.626 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -8.678 3.841 8.440 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -6.028 3.777 7.821 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.118 4.919 7.061 1.00 0.00 H new ATOM 385 N PRO A 90 -5.840 6.833 12.030 1.00 0.00 N ATOM 386 CA PRO A 90 -5.179 6.652 13.326 1.00 0.00 C ATOM 387 C PRO A 90 -6.065 5.926 14.333 1.00 0.00 C ATOM 388 O PRO A 90 -5.675 5.718 15.482 1.00 0.00 O ATOM 389 CB PRO A 90 -4.908 8.086 13.789 1.00 0.00 C ATOM 390 CG PRO A 90 -5.939 8.909 13.096 1.00 0.00 C ATOM 391 CD PRO A 90 -6.177 8.243 11.770 1.00 0.00 C ATOM 0 HA PRO A 90 -4.282 6.039 13.243 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -4.993 8.175 14.872 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -3.901 8.405 13.521 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -6.858 8.956 13.680 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.594 9.934 12.962 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -7.211 8.355 11.444 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -5.548 8.669 10.988 1.00 0.00 H new ATOM 399 N HIS A 91 -7.260 5.542 13.894 1.00 0.00 N ATOM 400 CA HIS A 91 -8.201 4.838 14.757 1.00 0.00 C ATOM 401 C HIS A 91 -7.998 3.328 14.664 1.00 0.00 C ATOM 402 O HIS A 91 -8.102 2.615 15.663 1.00 0.00 O ATOM 403 CB HIS A 91 -9.639 5.195 14.377 1.00 0.00 C ATOM 404 CG HIS A 91 -9.827 6.641 14.038 1.00 0.00 C ATOM 405 ND1 HIS A 91 -10.678 7.076 13.044 1.00 0.00 N ATOM 406 CD2 HIS A 91 -9.269 7.755 14.567 1.00 0.00 C ATOM 407 CE1 HIS A 91 -10.634 8.395 12.976 1.00 0.00 C ATOM 408 NE2 HIS A 91 -9.787 8.831 13.890 1.00 0.00 N ATOM 0 H HIS A 91 -7.599 5.707 12.946 1.00 0.00 H new ATOM 0 HA HIS A 91 -8.016 5.149 15.785 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -9.942 4.588 13.524 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -10.300 4.935 15.204 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -8.550 7.791 15.372 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -11.195 9.011 12.290 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -9.555 9.809 14.065 1.00 0.00 H new ATOM 416 N LEU A 92 -7.708 2.848 13.460 1.00 0.00 N ATOM 417 CA LEU A 92 -7.491 1.423 13.237 1.00 0.00 C ATOM 418 C LEU A 92 -6.310 0.917 14.059 1.00 0.00 C ATOM 419 O LEU A 92 -5.405 1.679 14.396 1.00 0.00 O ATOM 420 CB LEU A 92 -7.247 1.151 11.751 1.00 0.00 C ATOM 421 CG LEU A 92 -6.435 -0.103 11.423 1.00 0.00 C ATOM 422 CD1 LEU A 92 -6.848 -0.669 10.074 1.00 0.00 C ATOM 423 CD2 LEU A 92 -4.945 0.208 11.439 1.00 0.00 C ATOM 0 H LEU A 92 -7.618 3.424 12.623 1.00 0.00 H new ATOM 0 HA LEU A 92 -8.387 0.890 13.556 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -8.213 1.075 11.253 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -6.735 2.013 11.323 1.00 0.00 H new ATOM 0 HG LEU A 92 -6.638 -0.854 12.186 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -6.259 -1.561 9.858 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -7.906 -0.929 10.097 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -6.675 0.077 9.298 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -4.382 -0.695 11.204 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -4.726 0.976 10.697 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.659 0.566 12.428 1.00 0.00 H new ATOM 435 N GLN A 93 -6.326 -0.374 14.376 1.00 0.00 N ATOM 436 CA GLN A 93 -5.255 -0.982 15.157 1.00 0.00 C ATOM 437 C GLN A 93 -4.225 -1.642 14.247 1.00 0.00 C ATOM 438 O GLN A 93 -4.577 -2.390 13.334 1.00 0.00 O ATOM 439 CB GLN A 93 -5.828 -2.013 16.131 1.00 0.00 C ATOM 440 CG GLN A 93 -6.651 -1.399 17.252 1.00 0.00 C ATOM 441 CD GLN A 93 -5.834 -0.481 18.141 1.00 0.00 C ATOM 442 OE1 GLN A 93 -5.581 0.673 17.795 1.00 0.00 O ATOM 443 NE2 GLN A 93 -5.417 -0.990 19.294 1.00 0.00 N ATOM 0 H GLN A 93 -7.068 -1.019 14.104 1.00 0.00 H new ATOM 0 HA GLN A 93 -4.760 -0.193 15.724 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -6.450 -2.716 15.578 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -5.008 -2.586 16.565 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -7.481 -0.838 16.823 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -7.083 -2.195 17.858 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -5.650 -1.952 19.541 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -4.864 -0.419 19.933 1.00 0.00 H new ATOM 452 N TRP A 94 -2.952 -1.362 14.501 1.00 0.00 N ATOM 453 CA TRP A 94 -1.870 -1.929 13.704 1.00 0.00 C ATOM 454 C TRP A 94 -2.121 -3.405 13.418 1.00 0.00 C ATOM 455 O TRP A 94 -1.985 -3.858 12.282 1.00 0.00 O ATOM 456 CB TRP A 94 -0.533 -1.756 14.426 1.00 0.00 C ATOM 457 CG TRP A 94 0.649 -1.798 13.505 1.00 0.00 C ATOM 458 CD1 TRP A 94 1.312 -2.910 13.073 1.00 0.00 C ATOM 459 CD2 TRP A 94 1.307 -0.677 12.905 1.00 0.00 C ATOM 460 NE1 TRP A 94 2.344 -2.549 12.240 1.00 0.00 N ATOM 461 CE2 TRP A 94 2.361 -1.184 12.120 1.00 0.00 C ATOM 462 CE3 TRP A 94 1.108 0.705 12.952 1.00 0.00 C ATOM 463 CZ2 TRP A 94 3.212 -0.357 11.391 1.00 0.00 C ATOM 464 CZ3 TRP A 94 1.953 1.525 12.228 1.00 0.00 C ATOM 465 CH2 TRP A 94 2.993 0.993 11.456 1.00 0.00 C ATOM 0 H TRP A 94 -2.643 -0.746 15.253 1.00 0.00 H new ATOM 0 HA TRP A 94 -1.833 -1.396 12.754 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -0.536 -0.805 14.958 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -0.429 -2.541 15.175 1.00 0.00 H new ATOM 0 HD1 TRP A 94 1.062 -3.925 13.346 1.00 0.00 H new ATOM 0 HE1 TRP A 94 2.992 -3.192 11.785 1.00 0.00 H new ATOM 0 HE3 TRP A 94 0.308 1.125 13.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 4.015 -0.766 10.796 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 1.809 2.595 12.258 1.00 0.00 H new ATOM 0 HH2 TRP A 94 3.635 1.661 10.901 1.00 0.00 H new ATOM 476 N GLU A 95 -2.489 -4.151 14.456 1.00 0.00 N ATOM 477 CA GLU A 95 -2.757 -5.577 14.314 1.00 0.00 C ATOM 478 C GLU A 95 -3.569 -5.854 13.053 1.00 0.00 C ATOM 479 O GLU A 95 -3.221 -6.726 12.256 1.00 0.00 O ATOM 480 CB GLU A 95 -3.506 -6.102 15.541 1.00 0.00 C ATOM 481 CG GLU A 95 -4.842 -5.418 15.778 1.00 0.00 C ATOM 482 CD GLU A 95 -5.253 -5.429 17.238 1.00 0.00 C ATOM 483 OE1 GLU A 95 -4.581 -4.757 18.048 1.00 0.00 O ATOM 484 OE2 GLU A 95 -6.246 -6.109 17.569 1.00 0.00 O ATOM 0 H GLU A 95 -2.608 -3.791 15.403 1.00 0.00 H new ATOM 0 HA GLU A 95 -1.801 -6.094 14.231 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.671 -7.173 15.424 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -2.879 -5.971 16.423 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -4.785 -4.387 15.428 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.610 -5.914 15.185 1.00 0.00 H new ATOM 491 N VAL A 96 -4.655 -5.107 12.878 1.00 0.00 N ATOM 492 CA VAL A 96 -5.517 -5.272 11.714 1.00 0.00 C ATOM 493 C VAL A 96 -4.739 -5.060 10.420 1.00 0.00 C ATOM 494 O VAL A 96 -4.894 -5.815 9.459 1.00 0.00 O ATOM 495 CB VAL A 96 -6.705 -4.292 11.752 1.00 0.00 C ATOM 496 CG1 VAL A 96 -7.544 -4.421 10.490 1.00 0.00 C ATOM 497 CG2 VAL A 96 -7.552 -4.530 12.993 1.00 0.00 C ATOM 0 H VAL A 96 -4.958 -4.382 13.528 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.897 -6.293 11.743 1.00 0.00 H new ATOM 0 HB VAL A 96 -6.314 -3.275 11.797 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -8.378 -3.721 10.535 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -6.928 -4.196 9.619 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -7.927 -5.438 10.410 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -8.387 -3.829 13.004 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.935 -5.550 12.982 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -6.942 -4.381 13.884 1.00 0.00 H new ATOM 507 N LEU A 97 -3.902 -4.029 10.401 1.00 0.00 N ATOM 508 CA LEU A 97 -3.098 -3.717 9.225 1.00 0.00 C ATOM 509 C LEU A 97 -2.283 -4.929 8.785 1.00 0.00 C ATOM 510 O LEU A 97 -2.473 -5.452 7.687 1.00 0.00 O ATOM 511 CB LEU A 97 -2.165 -2.540 9.517 1.00 0.00 C ATOM 512 CG LEU A 97 -1.252 -2.106 8.370 1.00 0.00 C ATOM 513 CD1 LEU A 97 -2.062 -1.450 7.262 1.00 0.00 C ATOM 514 CD2 LEU A 97 -0.172 -1.161 8.876 1.00 0.00 C ATOM 0 H LEU A 97 -3.762 -3.394 11.187 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.775 -3.444 8.416 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.773 -1.685 9.814 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.542 -2.800 10.372 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.768 -2.993 7.961 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.396 -1.148 6.454 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.797 -2.159 6.880 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.575 -0.573 7.657 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.468 -0.863 8.046 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.637 -0.277 9.312 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.428 -1.666 9.633 1.00 0.00 H new ATOM 526 N ASP A 98 -1.377 -5.372 9.650 1.00 0.00 N ATOM 527 CA ASP A 98 -0.536 -6.525 9.353 1.00 0.00 C ATOM 528 C ASP A 98 -1.301 -7.560 8.533 1.00 0.00 C ATOM 529 O ASP A 98 -0.866 -7.955 7.452 1.00 0.00 O ATOM 530 CB ASP A 98 -0.025 -7.158 10.648 1.00 0.00 C ATOM 531 CG ASP A 98 1.289 -7.889 10.456 1.00 0.00 C ATOM 532 OD1 ASP A 98 1.491 -8.472 9.370 1.00 0.00 O ATOM 533 OD2 ASP A 98 2.116 -7.877 11.392 1.00 0.00 O ATOM 0 H ASP A 98 -1.206 -4.950 10.563 1.00 0.00 H new ATOM 0 HA ASP A 98 0.315 -6.180 8.766 1.00 0.00 H new ATOM 0 HB2 ASP A 98 0.101 -6.382 11.403 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -0.773 -7.854 11.028 1.00 0.00 H new ATOM 538 N SER A 99 -2.443 -7.994 9.057 1.00 0.00 N ATOM 539 CA SER A 99 -3.267 -8.987 8.376 1.00 0.00 C ATOM 540 C SER A 99 -3.612 -8.529 6.962 1.00 0.00 C ATOM 541 O SER A 99 -3.397 -9.256 5.992 1.00 0.00 O ATOM 542 CB SER A 99 -4.550 -9.245 9.168 1.00 0.00 C ATOM 543 OG SER A 99 -5.049 -10.548 8.919 1.00 0.00 O ATOM 0 H SER A 99 -2.819 -7.674 9.950 1.00 0.00 H new ATOM 0 HA SER A 99 -2.696 -9.913 8.310 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.354 -9.125 10.233 1.00 0.00 H new ATOM 0 HB3 SER A 99 -5.304 -8.506 8.897 1.00 0.00 H new ATOM 0 HG SER A 99 -5.868 -10.689 9.438 1.00 0.00 H new ATOM 549 N LEU A 100 -4.148 -7.319 6.854 1.00 0.00 N ATOM 550 CA LEU A 100 -4.524 -6.762 5.559 1.00 0.00 C ATOM 551 C LEU A 100 -3.366 -6.851 4.571 1.00 0.00 C ATOM 552 O LEU A 100 -3.570 -7.078 3.377 1.00 0.00 O ATOM 553 CB LEU A 100 -4.964 -5.305 5.716 1.00 0.00 C ATOM 554 CG LEU A 100 -6.369 -5.085 6.277 1.00 0.00 C ATOM 555 CD1 LEU A 100 -6.601 -3.611 6.573 1.00 0.00 C ATOM 556 CD2 LEU A 100 -7.419 -5.608 5.307 1.00 0.00 C ATOM 0 H LEU A 100 -4.332 -6.704 7.647 1.00 0.00 H new ATOM 0 HA LEU A 100 -5.357 -7.347 5.168 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -4.251 -4.799 6.367 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.904 -4.821 4.741 1.00 0.00 H new ATOM 0 HG LEU A 100 -6.457 -5.640 7.211 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.606 -3.474 6.971 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -5.870 -3.268 7.305 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -6.493 -3.034 5.655 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.413 -5.443 5.723 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.331 -5.081 4.357 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.266 -6.675 5.146 1.00 0.00 H new ATOM 568 N LEU A 101 -2.150 -6.674 5.075 1.00 0.00 N ATOM 569 CA LEU A 101 -0.957 -6.737 4.237 1.00 0.00 C ATOM 570 C LEU A 101 -0.759 -8.142 3.677 1.00 0.00 C ATOM 571 O LEU A 101 -0.884 -8.365 2.473 1.00 0.00 O ATOM 572 CB LEU A 101 0.276 -6.316 5.038 1.00 0.00 C ATOM 573 CG LEU A 101 0.179 -4.973 5.763 1.00 0.00 C ATOM 574 CD1 LEU A 101 1.404 -4.748 6.635 1.00 0.00 C ATOM 575 CD2 LEU A 101 0.019 -3.837 4.762 1.00 0.00 C ATOM 0 H LEU A 101 -1.964 -6.486 6.060 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.092 -6.049 3.403 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.487 -7.090 5.776 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.129 -6.280 4.361 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.701 -4.991 6.406 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.317 -3.788 7.143 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.475 -5.545 7.375 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.299 -4.750 6.013 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -0.048 -2.889 5.295 1.00 0.00 H new ATOM 0 HD22 LEU A 101 0.880 -3.817 4.094 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.889 -3.991 4.179 1.00 0.00 H new ATOM 587 N VAL A 102 -0.451 -9.087 4.559 1.00 0.00 N ATOM 588 CA VAL A 102 -0.238 -10.471 4.154 1.00 0.00 C ATOM 589 C VAL A 102 -1.409 -10.986 3.324 1.00 0.00 C ATOM 590 O VAL A 102 -1.233 -11.823 2.439 1.00 0.00 O ATOM 591 CB VAL A 102 -0.045 -11.390 5.375 1.00 0.00 C ATOM 592 CG1 VAL A 102 1.329 -11.175 5.992 1.00 0.00 C ATOM 593 CG2 VAL A 102 -1.143 -11.151 6.400 1.00 0.00 C ATOM 0 H VAL A 102 -0.343 -8.919 5.559 1.00 0.00 H new ATOM 0 HA VAL A 102 0.669 -10.488 3.549 1.00 0.00 H new ATOM 0 HB VAL A 102 -0.110 -12.426 5.043 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.448 -11.832 6.853 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.099 -11.401 5.254 1.00 0.00 H new ATOM 0 HG13 VAL A 102 1.426 -10.137 6.311 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -0.991 -11.809 7.256 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -1.113 -10.113 6.730 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -2.113 -11.360 5.949 1.00 0.00 H new ATOM 603 N GLN A 103 -2.603 -10.481 3.617 1.00 0.00 N ATOM 604 CA GLN A 103 -3.803 -10.891 2.897 1.00 0.00 C ATOM 605 C GLN A 103 -3.608 -10.752 1.391 1.00 0.00 C ATOM 606 O GLN A 103 -3.989 -11.635 0.622 1.00 0.00 O ATOM 607 CB GLN A 103 -5.003 -10.056 3.347 1.00 0.00 C ATOM 608 CG GLN A 103 -5.748 -10.650 4.532 1.00 0.00 C ATOM 609 CD GLN A 103 -6.972 -9.843 4.917 1.00 0.00 C ATOM 610 OE1 GLN A 103 -6.878 -8.870 5.665 1.00 0.00 O ATOM 611 NE2 GLN A 103 -8.130 -10.244 4.406 1.00 0.00 N ATOM 0 H GLN A 103 -2.765 -9.788 4.347 1.00 0.00 H new ATOM 0 HA GLN A 103 -3.993 -11.940 3.125 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -4.661 -9.055 3.609 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -5.694 -9.948 2.511 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -6.051 -11.669 4.292 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -5.074 -10.710 5.387 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -8.162 -11.056 3.790 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -8.988 -9.740 4.629 1.00 0.00 H new ATOM 620 N TYR A 104 -3.014 -9.639 0.976 1.00 0.00 N ATOM 621 CA TYR A 104 -2.771 -9.384 -0.439 1.00 0.00 C ATOM 622 C TYR A 104 -1.721 -10.341 -0.993 1.00 0.00 C ATOM 623 O TYR A 104 -1.941 -11.002 -2.007 1.00 0.00 O ATOM 624 CB TYR A 104 -2.319 -7.937 -0.647 1.00 0.00 C ATOM 625 CG TYR A 104 -3.366 -6.915 -0.267 1.00 0.00 C ATOM 626 CD1 TYR A 104 -4.445 -6.652 -1.103 1.00 0.00 C ATOM 627 CD2 TYR A 104 -3.277 -6.212 0.928 1.00 0.00 C ATOM 628 CE1 TYR A 104 -5.403 -5.718 -0.760 1.00 0.00 C ATOM 629 CE2 TYR A 104 -4.232 -5.277 1.280 1.00 0.00 C ATOM 630 CZ TYR A 104 -5.293 -5.033 0.432 1.00 0.00 C ATOM 631 OH TYR A 104 -6.246 -4.103 0.778 1.00 0.00 O ATOM 0 H TYR A 104 -2.692 -8.899 1.599 1.00 0.00 H new ATOM 0 HA TYR A 104 -3.705 -9.548 -0.977 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -1.419 -7.758 -0.059 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -2.049 -7.796 -1.694 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -4.536 -7.187 -2.037 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -2.447 -6.399 1.593 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -6.234 -5.525 -1.422 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -4.148 -4.740 2.213 1.00 0.00 H new ATOM 0 HH TYR A 104 -6.326 -4.064 1.754 1.00 0.00 H new ATOM 641 N GLY A 105 -0.578 -10.411 -0.318 1.00 0.00 N ATOM 642 CA GLY A 105 0.490 -11.291 -0.756 1.00 0.00 C ATOM 643 C GLY A 105 1.510 -11.553 0.334 1.00 0.00 C ATOM 644 O GLY A 105 1.216 -11.399 1.520 1.00 0.00 O ATOM 0 H GLY A 105 -0.372 -9.874 0.524 1.00 0.00 H new ATOM 0 HA2 GLY A 105 0.064 -12.238 -1.085 1.00 0.00 H new ATOM 0 HA3 GLY A 105 0.990 -10.849 -1.618 1.00 0.00 H new ATOM 648 N VAL A 106 2.713 -11.951 -0.066 1.00 0.00 N ATOM 649 CA VAL A 106 3.780 -12.235 0.886 1.00 0.00 C ATOM 650 C VAL A 106 4.615 -10.990 1.163 1.00 0.00 C ATOM 651 O VAL A 106 5.560 -10.688 0.435 1.00 0.00 O ATOM 652 CB VAL A 106 4.705 -13.356 0.374 1.00 0.00 C ATOM 653 CG1 VAL A 106 5.786 -13.666 1.398 1.00 0.00 C ATOM 654 CG2 VAL A 106 3.898 -14.603 0.044 1.00 0.00 C ATOM 0 H VAL A 106 2.973 -12.084 -1.043 1.00 0.00 H new ATOM 0 HA VAL A 106 3.302 -12.561 1.809 1.00 0.00 H new ATOM 0 HB VAL A 106 5.191 -13.013 -0.539 1.00 0.00 H new ATOM 0 HG11 VAL A 106 6.429 -14.460 1.019 1.00 0.00 H new ATOM 0 HG12 VAL A 106 6.382 -12.772 1.580 1.00 0.00 H new ATOM 0 HG13 VAL A 106 5.322 -13.989 2.330 1.00 0.00 H new ATOM 0 HG21 VAL A 106 4.567 -15.385 -0.316 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.383 -14.951 0.939 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.165 -14.368 -0.728 1.00 0.00 H new ATOM 664 N VAL A 107 4.260 -10.271 2.223 1.00 0.00 N ATOM 665 CA VAL A 107 4.978 -9.059 2.600 1.00 0.00 C ATOM 666 C VAL A 107 6.328 -9.391 3.225 1.00 0.00 C ATOM 667 O VAL A 107 6.396 -10.025 4.277 1.00 0.00 O ATOM 668 CB VAL A 107 4.161 -8.208 3.590 1.00 0.00 C ATOM 669 CG1 VAL A 107 3.820 -9.015 4.833 1.00 0.00 C ATOM 670 CG2 VAL A 107 4.921 -6.942 3.958 1.00 0.00 C ATOM 0 H VAL A 107 3.480 -10.507 2.836 1.00 0.00 H new ATOM 0 HA VAL A 107 5.136 -8.487 1.685 1.00 0.00 H new ATOM 0 HB VAL A 107 3.228 -7.917 3.108 1.00 0.00 H new ATOM 0 HG11 VAL A 107 3.243 -8.397 5.521 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.233 -9.889 4.550 1.00 0.00 H new ATOM 0 HG13 VAL A 107 4.740 -9.338 5.320 1.00 0.00 H new ATOM 0 HG21 VAL A 107 4.329 -6.353 4.658 1.00 0.00 H new ATOM 0 HG22 VAL A 107 5.871 -7.209 4.421 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.108 -6.356 3.058 1.00 0.00 H new ATOM 680 N GLU A 108 7.400 -8.957 2.569 1.00 0.00 N ATOM 681 CA GLU A 108 8.749 -9.209 3.062 1.00 0.00 C ATOM 682 C GLU A 108 9.004 -8.451 4.361 1.00 0.00 C ATOM 683 O GLU A 108 9.453 -9.028 5.352 1.00 0.00 O ATOM 684 CB GLU A 108 9.784 -8.803 2.010 1.00 0.00 C ATOM 685 CG GLU A 108 11.072 -9.606 2.082 1.00 0.00 C ATOM 686 CD GLU A 108 11.594 -9.746 3.499 1.00 0.00 C ATOM 687 OE1 GLU A 108 12.068 -8.736 4.060 1.00 0.00 O ATOM 688 OE2 GLU A 108 11.528 -10.866 4.047 1.00 0.00 O ATOM 0 H GLU A 108 7.361 -8.430 1.696 1.00 0.00 H new ATOM 0 HA GLU A 108 8.842 -10.277 3.261 1.00 0.00 H new ATOM 0 HB2 GLU A 108 9.347 -8.921 1.018 1.00 0.00 H new ATOM 0 HB3 GLU A 108 10.018 -7.745 2.132 1.00 0.00 H new ATOM 0 HG2 GLU A 108 10.902 -10.597 1.662 1.00 0.00 H new ATOM 0 HG3 GLU A 108 11.831 -9.125 1.465 1.00 0.00 H new ATOM 695 N SER A 109 8.715 -7.153 4.349 1.00 0.00 N ATOM 696 CA SER A 109 8.918 -6.314 5.525 1.00 0.00 C ATOM 697 C SER A 109 8.016 -5.084 5.476 1.00 0.00 C ATOM 698 O SER A 109 7.749 -4.539 4.404 1.00 0.00 O ATOM 699 CB SER A 109 10.382 -5.883 5.624 1.00 0.00 C ATOM 700 OG SER A 109 10.591 -5.042 6.745 1.00 0.00 O ATOM 0 H SER A 109 8.340 -6.660 3.539 1.00 0.00 H new ATOM 0 HA SER A 109 8.659 -6.899 6.408 1.00 0.00 H new ATOM 0 HB2 SER A 109 11.019 -6.764 5.702 1.00 0.00 H new ATOM 0 HB3 SER A 109 10.673 -5.359 4.713 1.00 0.00 H new ATOM 0 HG SER A 109 11.535 -4.782 6.787 1.00 0.00 H new ATOM 706 N CYS A 110 7.549 -4.654 6.643 1.00 0.00 N ATOM 707 CA CYS A 110 6.676 -3.489 6.734 1.00 0.00 C ATOM 708 C CYS A 110 7.303 -2.408 7.609 1.00 0.00 C ATOM 709 O CYS A 110 7.204 -2.454 8.835 1.00 0.00 O ATOM 710 CB CYS A 110 5.312 -3.891 7.297 1.00 0.00 C ATOM 711 SG CYS A 110 4.136 -2.524 7.428 1.00 0.00 S ATOM 0 H CYS A 110 7.760 -5.094 7.539 1.00 0.00 H new ATOM 0 HA CYS A 110 6.542 -3.086 5.730 1.00 0.00 H new ATOM 0 HB2 CYS A 110 4.883 -4.666 6.662 1.00 0.00 H new ATOM 0 HB3 CYS A 110 5.454 -4.330 8.284 1.00 0.00 H new ATOM 0 HG CYS A 110 4.663 -1.564 8.128 1.00 0.00 H new ATOM 717 N GLU A 111 7.948 -1.437 6.971 1.00 0.00 N ATOM 718 CA GLU A 111 8.593 -0.346 7.692 1.00 0.00 C ATOM 719 C GLU A 111 7.613 0.798 7.936 1.00 0.00 C ATOM 720 O GLU A 111 6.604 0.923 7.243 1.00 0.00 O ATOM 721 CB GLU A 111 9.806 0.164 6.912 1.00 0.00 C ATOM 722 CG GLU A 111 10.730 1.048 7.733 1.00 0.00 C ATOM 723 CD GLU A 111 11.089 0.433 9.071 1.00 0.00 C ATOM 724 OE1 GLU A 111 11.949 -0.472 9.096 1.00 0.00 O ATOM 725 OE2 GLU A 111 10.509 0.855 10.094 1.00 0.00 O ATOM 0 H GLU A 111 8.038 -1.383 5.956 1.00 0.00 H new ATOM 0 HA GLU A 111 8.926 -0.729 8.657 1.00 0.00 H new ATOM 0 HB2 GLU A 111 10.371 -0.689 6.537 1.00 0.00 H new ATOM 0 HB3 GLU A 111 9.460 0.723 6.043 1.00 0.00 H new ATOM 0 HG2 GLU A 111 11.643 1.237 7.168 1.00 0.00 H new ATOM 0 HG3 GLU A 111 10.251 2.013 7.898 1.00 0.00 H new ATOM 732 N GLN A 112 7.919 1.630 8.926 1.00 0.00 N ATOM 733 CA GLN A 112 7.065 2.763 9.263 1.00 0.00 C ATOM 734 C GLN A 112 7.644 4.063 8.713 1.00 0.00 C ATOM 735 O GLN A 112 8.852 4.179 8.507 1.00 0.00 O ATOM 736 CB GLN A 112 6.895 2.868 10.779 1.00 0.00 C ATOM 737 CG GLN A 112 5.682 3.681 11.201 1.00 0.00 C ATOM 738 CD GLN A 112 5.200 3.331 12.595 1.00 0.00 C ATOM 739 OE1 GLN A 112 3.896 3.444 12.817 1.00 0.00 O flip ATOM 740 NE2 GLN A 112 5.992 2.963 13.464 1.00 0.00 N flip ATOM 0 H GLN A 112 8.751 1.541 9.509 1.00 0.00 H new ATOM 0 HA GLN A 112 6.089 2.599 8.806 1.00 0.00 H new ATOM 0 HB2 GLN A 112 6.813 1.865 11.197 1.00 0.00 H new ATOM 0 HB3 GLN A 112 7.791 3.319 11.206 1.00 0.00 H new ATOM 0 HG2 GLN A 112 5.929 4.742 11.162 1.00 0.00 H new ATOM 0 HG3 GLN A 112 4.873 3.516 10.489 1.00 0.00 H new ATOM 0 HE21 GLN A 112 6.987 2.890 13.250 1.00 0.00 H new ATOM 0 HE22 GLN A 112 5.653 2.731 14.398 1.00 0.00 H new ATOM 749 N VAL A 113 6.773 5.039 8.476 1.00 0.00 N ATOM 750 CA VAL A 113 7.197 6.331 7.950 1.00 0.00 C ATOM 751 C VAL A 113 6.215 7.431 8.337 1.00 0.00 C ATOM 752 O VAL A 113 5.069 7.157 8.691 1.00 0.00 O ATOM 753 CB VAL A 113 7.334 6.296 6.416 1.00 0.00 C ATOM 754 CG1 VAL A 113 7.849 7.628 5.895 1.00 0.00 C ATOM 755 CG2 VAL A 113 8.249 5.157 5.990 1.00 0.00 C ATOM 0 H VAL A 113 5.769 4.959 8.640 1.00 0.00 H new ATOM 0 HA VAL A 113 8.171 6.547 8.389 1.00 0.00 H new ATOM 0 HB VAL A 113 6.349 6.122 5.984 1.00 0.00 H new ATOM 0 HG11 VAL A 113 7.939 7.584 4.810 1.00 0.00 H new ATOM 0 HG12 VAL A 113 7.152 8.420 6.169 1.00 0.00 H new ATOM 0 HG13 VAL A 113 8.826 7.837 6.332 1.00 0.00 H new ATOM 0 HG21 VAL A 113 8.335 5.146 4.903 1.00 0.00 H new ATOM 0 HG22 VAL A 113 9.236 5.299 6.431 1.00 0.00 H new ATOM 0 HG23 VAL A 113 7.832 4.209 6.330 1.00 0.00 H new ATOM 765 N ASN A 114 6.672 8.677 8.265 1.00 0.00 N ATOM 766 CA ASN A 114 5.833 9.820 8.607 1.00 0.00 C ATOM 767 C ASN A 114 5.823 10.845 7.478 1.00 0.00 C ATOM 768 O ASN A 114 6.875 11.233 6.967 1.00 0.00 O ATOM 769 CB ASN A 114 6.328 10.473 9.900 1.00 0.00 C ATOM 770 CG ASN A 114 7.354 11.559 9.643 1.00 0.00 C ATOM 771 OD1 ASN A 114 7.083 12.744 9.841 1.00 0.00 O ATOM 772 ND2 ASN A 114 8.540 11.159 9.199 1.00 0.00 N ATOM 0 H ASN A 114 7.618 8.921 7.973 1.00 0.00 H new ATOM 0 HA ASN A 114 4.815 9.460 8.756 1.00 0.00 H new ATOM 0 HB2 ASN A 114 5.480 10.898 10.437 1.00 0.00 H new ATOM 0 HB3 ASN A 114 6.764 9.710 10.545 1.00 0.00 H new ATOM 0 HD21 ASN A 114 9.271 11.845 9.008 1.00 0.00 H new ATOM 0 HD22 ASN A 114 8.720 10.166 9.049 1.00 0.00 H new ATOM 779 N THR A 115 4.628 11.282 7.093 1.00 0.00 N ATOM 780 CA THR A 115 4.481 12.262 6.024 1.00 0.00 C ATOM 781 C THR A 115 4.118 13.633 6.582 1.00 0.00 C ATOM 782 O THR A 115 3.630 14.500 5.856 1.00 0.00 O ATOM 783 CB THR A 115 3.403 11.830 5.011 1.00 0.00 C ATOM 784 OG1 THR A 115 3.387 12.732 3.899 1.00 0.00 O ATOM 785 CG2 THR A 115 2.029 11.798 5.664 1.00 0.00 C ATOM 0 H THR A 115 3.748 10.973 7.506 1.00 0.00 H new ATOM 0 HA THR A 115 5.443 12.323 5.516 1.00 0.00 H new ATOM 0 HB THR A 115 3.645 10.826 4.661 1.00 0.00 H new ATOM 0 HG1 THR A 115 3.434 13.655 4.226 1.00 0.00 H new ATOM 0 HG21 THR A 115 1.284 11.490 4.930 1.00 0.00 H new ATOM 0 HG22 THR A 115 2.036 11.089 6.492 1.00 0.00 H new ATOM 0 HG23 THR A 115 1.781 12.791 6.038 1.00 0.00 H new ATOM 793 N ASP A 116 4.359 13.824 7.874 1.00 0.00 N ATOM 794 CA ASP A 116 4.059 15.092 8.529 1.00 0.00 C ATOM 795 C ASP A 116 2.573 15.420 8.422 1.00 0.00 C ATOM 796 O ASP A 116 2.198 16.547 8.100 1.00 0.00 O ATOM 797 CB ASP A 116 4.889 16.218 7.911 1.00 0.00 C ATOM 798 CG ASP A 116 4.839 17.491 8.733 1.00 0.00 C ATOM 799 OD1 ASP A 116 5.047 17.413 9.961 1.00 0.00 O ATOM 800 OD2 ASP A 116 4.591 18.567 8.147 1.00 0.00 O ATOM 0 H ASP A 116 4.761 13.117 8.489 1.00 0.00 H new ATOM 0 HA ASP A 116 4.317 14.999 9.584 1.00 0.00 H new ATOM 0 HB2 ASP A 116 5.924 15.892 7.814 1.00 0.00 H new ATOM 0 HB3 ASP A 116 4.525 16.424 6.905 1.00 0.00 H new ATOM 805 N SER A 117 1.732 14.428 8.694 1.00 0.00 N ATOM 806 CA SER A 117 0.286 14.610 8.624 1.00 0.00 C ATOM 807 C SER A 117 -0.415 13.817 9.723 1.00 0.00 C ATOM 808 O SER A 117 0.183 12.943 10.350 1.00 0.00 O ATOM 809 CB SER A 117 -0.237 14.176 7.253 1.00 0.00 C ATOM 810 OG SER A 117 0.449 14.846 6.210 1.00 0.00 O ATOM 0 H SER A 117 2.026 13.490 8.965 1.00 0.00 H new ATOM 0 HA SER A 117 0.070 15.668 8.770 1.00 0.00 H new ATOM 0 HB2 SER A 117 -0.116 13.099 7.139 1.00 0.00 H new ATOM 0 HB3 SER A 117 -1.304 14.386 7.184 1.00 0.00 H new ATOM 0 HG SER A 117 0.097 14.550 5.344 1.00 0.00 H new ATOM 816 N GLU A 118 -1.687 14.130 9.949 1.00 0.00 N ATOM 817 CA GLU A 118 -2.470 13.447 10.972 1.00 0.00 C ATOM 818 C GLU A 118 -2.511 11.944 10.714 1.00 0.00 C ATOM 819 O GLU A 118 -2.148 11.143 11.577 1.00 0.00 O ATOM 820 CB GLU A 118 -3.893 14.007 11.015 1.00 0.00 C ATOM 821 CG GLU A 118 -4.544 13.914 12.385 1.00 0.00 C ATOM 822 CD GLU A 118 -4.979 12.503 12.730 1.00 0.00 C ATOM 823 OE1 GLU A 118 -4.097 11.637 12.912 1.00 0.00 O ATOM 824 OE2 GLU A 118 -6.202 12.264 12.817 1.00 0.00 O ATOM 0 H GLU A 118 -2.197 14.851 9.438 1.00 0.00 H new ATOM 0 HA GLU A 118 -1.990 13.619 11.935 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -3.873 15.051 10.702 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -4.508 13.469 10.293 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -3.843 14.269 13.141 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -5.410 14.575 12.417 1.00 0.00 H new ATOM 831 N THR A 119 -2.955 11.566 9.520 1.00 0.00 N ATOM 832 CA THR A 119 -3.045 10.160 9.147 1.00 0.00 C ATOM 833 C THR A 119 -1.699 9.462 9.306 1.00 0.00 C ATOM 834 O THR A 119 -0.654 10.110 9.346 1.00 0.00 O ATOM 835 CB THR A 119 -3.529 9.993 7.695 1.00 0.00 C ATOM 836 OG1 THR A 119 -2.672 10.719 6.806 1.00 0.00 O ATOM 837 CG2 THR A 119 -4.960 10.486 7.541 1.00 0.00 C ATOM 0 H THR A 119 -3.258 12.215 8.794 1.00 0.00 H new ATOM 0 HA THR A 119 -3.771 9.701 9.818 1.00 0.00 H new ATOM 0 HB THR A 119 -3.497 8.932 7.445 1.00 0.00 H new ATOM 0 HG1 THR A 119 -2.986 10.606 5.884 1.00 0.00 H new ATOM 0 HG21 THR A 119 -5.280 10.358 6.507 1.00 0.00 H new ATOM 0 HG22 THR A 119 -5.615 9.913 8.197 1.00 0.00 H new ATOM 0 HG23 THR A 119 -5.012 11.541 7.809 1.00 0.00 H new ATOM 845 N ALA A 120 -1.732 8.136 9.394 1.00 0.00 N ATOM 846 CA ALA A 120 -0.514 7.350 9.545 1.00 0.00 C ATOM 847 C ALA A 120 0.109 7.038 8.189 1.00 0.00 C ATOM 848 O ALA A 120 -0.546 7.149 7.153 1.00 0.00 O ATOM 849 CB ALA A 120 -0.807 6.063 10.303 1.00 0.00 C ATOM 0 H ALA A 120 -2.589 7.584 9.363 1.00 0.00 H new ATOM 0 HA ALA A 120 0.202 7.940 10.117 1.00 0.00 H new ATOM 0 HB1 ALA A 120 0.112 5.486 10.409 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -1.200 6.304 11.291 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -1.543 5.476 9.753 1.00 0.00 H new ATOM 855 N VAL A 121 1.380 6.647 8.203 1.00 0.00 N ATOM 856 CA VAL A 121 2.092 6.318 6.974 1.00 0.00 C ATOM 857 C VAL A 121 3.069 5.169 7.195 1.00 0.00 C ATOM 858 O VAL A 121 3.799 5.142 8.186 1.00 0.00 O ATOM 859 CB VAL A 121 2.863 7.535 6.429 1.00 0.00 C ATOM 860 CG1 VAL A 121 3.527 7.197 5.103 1.00 0.00 C ATOM 861 CG2 VAL A 121 1.934 8.730 6.280 1.00 0.00 C ATOM 0 H VAL A 121 1.937 6.551 9.052 1.00 0.00 H new ATOM 0 HA VAL A 121 1.340 6.017 6.244 1.00 0.00 H new ATOM 0 HB VAL A 121 3.644 7.797 7.142 1.00 0.00 H new ATOM 0 HG11 VAL A 121 4.067 8.069 4.734 1.00 0.00 H new ATOM 0 HG12 VAL A 121 4.225 6.372 5.245 1.00 0.00 H new ATOM 0 HG13 VAL A 121 2.766 6.908 4.378 1.00 0.00 H new ATOM 0 HG21 VAL A 121 2.495 9.581 5.894 1.00 0.00 H new ATOM 0 HG22 VAL A 121 1.130 8.481 5.588 1.00 0.00 H new ATOM 0 HG23 VAL A 121 1.511 8.985 7.251 1.00 0.00 H new ATOM 871 N VAL A 122 3.077 4.219 6.265 1.00 0.00 N ATOM 872 CA VAL A 122 3.966 3.067 6.357 1.00 0.00 C ATOM 873 C VAL A 122 4.384 2.583 4.973 1.00 0.00 C ATOM 874 O VAL A 122 3.697 2.834 3.984 1.00 0.00 O ATOM 875 CB VAL A 122 3.300 1.904 7.117 1.00 0.00 C ATOM 876 CG1 VAL A 122 2.886 2.345 8.512 1.00 0.00 C ATOM 877 CG2 VAL A 122 2.104 1.376 6.339 1.00 0.00 C ATOM 0 H VAL A 122 2.478 4.225 5.439 1.00 0.00 H new ATOM 0 HA VAL A 122 4.850 3.392 6.907 1.00 0.00 H new ATOM 0 HB VAL A 122 4.025 1.096 7.218 1.00 0.00 H new ATOM 0 HG11 VAL A 122 2.417 1.510 9.033 1.00 0.00 H new ATOM 0 HG12 VAL A 122 3.766 2.671 9.066 1.00 0.00 H new ATOM 0 HG13 VAL A 122 2.177 3.170 8.438 1.00 0.00 H new ATOM 0 HG21 VAL A 122 1.645 0.555 6.890 1.00 0.00 H new ATOM 0 HG22 VAL A 122 1.375 2.175 6.206 1.00 0.00 H new ATOM 0 HG23 VAL A 122 2.434 1.019 5.363 1.00 0.00 H new ATOM 887 N ASN A 123 5.514 1.887 4.912 1.00 0.00 N ATOM 888 CA ASN A 123 6.025 1.367 3.649 1.00 0.00 C ATOM 889 C ASN A 123 5.968 -0.157 3.625 1.00 0.00 C ATOM 890 O ASN A 123 6.511 -0.823 4.507 1.00 0.00 O ATOM 891 CB ASN A 123 7.462 1.839 3.422 1.00 0.00 C ATOM 892 CG ASN A 123 7.538 3.308 3.056 1.00 0.00 C ATOM 893 OD1 ASN A 123 6.525 3.934 2.743 1.00 0.00 O ATOM 894 ND2 ASN A 123 8.743 3.866 3.093 1.00 0.00 N ATOM 0 H ASN A 123 6.094 1.670 5.723 1.00 0.00 H new ATOM 0 HA ASN A 123 5.394 1.749 2.846 1.00 0.00 H new ATOM 0 HB2 ASN A 123 8.046 1.662 4.325 1.00 0.00 H new ATOM 0 HB3 ASN A 123 7.915 1.246 2.628 1.00 0.00 H new ATOM 0 HD21 ASN A 123 8.856 4.852 2.856 1.00 0.00 H new ATOM 0 HD22 ASN A 123 9.555 3.309 3.358 1.00 0.00 H new ATOM 901 N VAL A 124 5.307 -0.704 2.609 1.00 0.00 N ATOM 902 CA VAL A 124 5.181 -2.150 2.469 1.00 0.00 C ATOM 903 C VAL A 124 6.128 -2.683 1.400 1.00 0.00 C ATOM 904 O VAL A 124 6.239 -2.115 0.313 1.00 0.00 O ATOM 905 CB VAL A 124 3.739 -2.555 2.111 1.00 0.00 C ATOM 906 CG1 VAL A 124 3.695 -3.992 1.616 1.00 0.00 C ATOM 907 CG2 VAL A 124 2.819 -2.366 3.308 1.00 0.00 C ATOM 0 H VAL A 124 4.851 -0.167 1.871 1.00 0.00 H new ATOM 0 HA VAL A 124 5.444 -2.586 3.433 1.00 0.00 H new ATOM 0 HB VAL A 124 3.388 -1.908 1.307 1.00 0.00 H new ATOM 0 HG11 VAL A 124 2.668 -4.260 1.368 1.00 0.00 H new ATOM 0 HG12 VAL A 124 4.320 -4.090 0.729 1.00 0.00 H new ATOM 0 HG13 VAL A 124 4.065 -4.657 2.396 1.00 0.00 H new ATOM 0 HG21 VAL A 124 1.804 -2.657 3.037 1.00 0.00 H new ATOM 0 HG22 VAL A 124 3.166 -2.986 4.135 1.00 0.00 H new ATOM 0 HG23 VAL A 124 2.827 -1.319 3.611 1.00 0.00 H new ATOM 917 N THR A 125 6.809 -3.780 1.715 1.00 0.00 N ATOM 918 CA THR A 125 7.748 -4.391 0.782 1.00 0.00 C ATOM 919 C THR A 125 7.435 -5.869 0.577 1.00 0.00 C ATOM 920 O THR A 125 7.756 -6.705 1.422 1.00 0.00 O ATOM 921 CB THR A 125 9.201 -4.248 1.273 1.00 0.00 C ATOM 922 OG1 THR A 125 9.412 -2.935 1.801 1.00 0.00 O ATOM 923 CG2 THR A 125 10.182 -4.509 0.140 1.00 0.00 C ATOM 0 H THR A 125 6.728 -4.264 2.609 1.00 0.00 H new ATOM 0 HA THR A 125 7.640 -3.865 -0.166 1.00 0.00 H new ATOM 0 HB THR A 125 9.371 -4.986 2.057 1.00 0.00 H new ATOM 0 HG1 THR A 125 10.337 -2.853 2.113 1.00 0.00 H new ATOM 0 HG21 THR A 125 11.202 -4.402 0.510 1.00 0.00 H new ATOM 0 HG22 THR A 125 10.038 -5.520 -0.240 1.00 0.00 H new ATOM 0 HG23 THR A 125 10.010 -3.792 -0.662 1.00 0.00 H new ATOM 931 N TYR A 126 6.808 -6.185 -0.551 1.00 0.00 N ATOM 932 CA TYR A 126 6.451 -7.563 -0.866 1.00 0.00 C ATOM 933 C TYR A 126 7.607 -8.281 -1.557 1.00 0.00 C ATOM 934 O TYR A 126 8.457 -7.651 -2.185 1.00 0.00 O ATOM 935 CB TYR A 126 5.208 -7.599 -1.757 1.00 0.00 C ATOM 936 CG TYR A 126 3.935 -7.218 -1.036 1.00 0.00 C ATOM 937 CD1 TYR A 126 3.358 -8.073 -0.105 1.00 0.00 C ATOM 938 CD2 TYR A 126 3.309 -6.003 -1.285 1.00 0.00 C ATOM 939 CE1 TYR A 126 2.195 -7.730 0.555 1.00 0.00 C ATOM 940 CE2 TYR A 126 2.146 -5.650 -0.628 1.00 0.00 C ATOM 941 CZ TYR A 126 1.593 -6.517 0.291 1.00 0.00 C ATOM 942 OH TYR A 126 0.434 -6.171 0.947 1.00 0.00 O ATOM 0 H TYR A 126 6.537 -5.506 -1.262 1.00 0.00 H new ATOM 0 HA TYR A 126 6.234 -8.078 0.070 1.00 0.00 H new ATOM 0 HB2 TYR A 126 5.355 -6.923 -2.599 1.00 0.00 H new ATOM 0 HB3 TYR A 126 5.096 -8.602 -2.169 1.00 0.00 H new ATOM 0 HD1 TYR A 126 3.828 -9.022 0.106 1.00 0.00 H new ATOM 0 HD2 TYR A 126 3.739 -5.322 -2.005 1.00 0.00 H new ATOM 0 HE1 TYR A 126 1.759 -8.408 1.274 1.00 0.00 H new ATOM 0 HE2 TYR A 126 1.673 -4.701 -0.833 1.00 0.00 H new ATOM 0 HH TYR A 126 0.086 -6.950 1.429 1.00 0.00 H new ATOM 952 N SER A 127 7.629 -9.604 -1.436 1.00 0.00 N ATOM 953 CA SER A 127 8.681 -10.410 -2.045 1.00 0.00 C ATOM 954 C SER A 127 8.457 -10.549 -3.548 1.00 0.00 C ATOM 955 O SER A 127 9.394 -10.443 -4.339 1.00 0.00 O ATOM 956 CB SER A 127 8.734 -11.794 -1.395 1.00 0.00 C ATOM 957 OG SER A 127 9.864 -12.524 -1.842 1.00 0.00 O ATOM 0 H SER A 127 6.931 -10.141 -0.922 1.00 0.00 H new ATOM 0 HA SER A 127 9.633 -9.904 -1.882 1.00 0.00 H new ATOM 0 HB2 SER A 127 8.771 -11.689 -0.311 1.00 0.00 H new ATOM 0 HB3 SER A 127 7.824 -12.345 -1.631 1.00 0.00 H new ATOM 0 HG SER A 127 9.876 -13.404 -1.411 1.00 0.00 H new ATOM 963 N SER A 128 7.208 -10.788 -3.934 1.00 0.00 N ATOM 964 CA SER A 128 6.859 -10.946 -5.341 1.00 0.00 C ATOM 965 C SER A 128 6.175 -9.691 -5.876 1.00 0.00 C ATOM 966 O SER A 128 5.500 -8.975 -5.136 1.00 0.00 O ATOM 967 CB SER A 128 5.945 -12.158 -5.529 1.00 0.00 C ATOM 968 OG SER A 128 5.775 -12.461 -6.903 1.00 0.00 O ATOM 0 H SER A 128 6.420 -10.877 -3.292 1.00 0.00 H new ATOM 0 HA SER A 128 7.780 -11.104 -5.902 1.00 0.00 H new ATOM 0 HB2 SER A 128 6.368 -13.020 -5.013 1.00 0.00 H new ATOM 0 HB3 SER A 128 4.974 -11.959 -5.074 1.00 0.00 H new ATOM 0 HG SER A 128 5.188 -13.240 -6.996 1.00 0.00 H new ATOM 974 N LYS A 129 6.355 -9.431 -7.166 1.00 0.00 N ATOM 975 CA LYS A 129 5.756 -8.265 -7.803 1.00 0.00 C ATOM 976 C LYS A 129 4.233 -8.326 -7.728 1.00 0.00 C ATOM 977 O LYS A 129 3.594 -7.438 -7.164 1.00 0.00 O ATOM 978 CB LYS A 129 6.201 -8.170 -9.264 1.00 0.00 C ATOM 979 CG LYS A 129 5.938 -6.813 -9.893 1.00 0.00 C ATOM 980 CD LYS A 129 4.541 -6.734 -10.484 1.00 0.00 C ATOM 981 CE LYS A 129 4.458 -7.455 -11.820 1.00 0.00 C ATOM 982 NZ LYS A 129 5.129 -6.689 -12.907 1.00 0.00 N ATOM 0 H LYS A 129 6.912 -10.013 -7.792 1.00 0.00 H new ATOM 0 HA LYS A 129 6.094 -7.377 -7.268 1.00 0.00 H new ATOM 0 HB2 LYS A 129 7.267 -8.389 -9.325 1.00 0.00 H new ATOM 0 HB3 LYS A 129 5.684 -8.936 -9.843 1.00 0.00 H new ATOM 0 HG2 LYS A 129 6.061 -6.033 -9.142 1.00 0.00 H new ATOM 0 HG3 LYS A 129 6.675 -6.623 -10.673 1.00 0.00 H new ATOM 0 HD2 LYS A 129 3.825 -7.172 -9.788 1.00 0.00 H new ATOM 0 HD3 LYS A 129 4.259 -5.689 -10.615 1.00 0.00 H new ATOM 0 HE2 LYS A 129 4.919 -8.439 -11.731 1.00 0.00 H new ATOM 0 HE3 LYS A 129 3.412 -7.616 -12.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 4.880 -7.103 -13.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 4.816 -5.698 -12.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 6.160 -6.731 -12.776 1.00 0.00 H new ATOM 996 N ASP A 130 3.659 -9.380 -8.298 1.00 0.00 N ATOM 997 CA ASP A 130 2.212 -9.558 -8.293 1.00 0.00 C ATOM 998 C ASP A 130 1.625 -9.196 -6.933 1.00 0.00 C ATOM 999 O ASP A 130 0.707 -8.381 -6.840 1.00 0.00 O ATOM 1000 CB ASP A 130 1.853 -11.002 -8.650 1.00 0.00 C ATOM 1001 CG ASP A 130 2.098 -11.315 -10.113 1.00 0.00 C ATOM 1002 OD1 ASP A 130 3.241 -11.682 -10.458 1.00 0.00 O ATOM 1003 OD2 ASP A 130 1.147 -11.193 -10.912 1.00 0.00 O ATOM 0 H ASP A 130 4.174 -10.124 -8.769 1.00 0.00 H new ATOM 0 HA ASP A 130 1.786 -8.890 -9.042 1.00 0.00 H new ATOM 0 HB2 ASP A 130 2.440 -11.682 -8.033 1.00 0.00 H new ATOM 0 HB3 ASP A 130 0.804 -11.182 -8.414 1.00 0.00 H new ATOM 1008 N GLN A 131 2.159 -9.808 -5.881 1.00 0.00 N ATOM 1009 CA GLN A 131 1.686 -9.551 -4.526 1.00 0.00 C ATOM 1010 C GLN A 131 1.426 -8.063 -4.314 1.00 0.00 C ATOM 1011 O GLN A 131 0.341 -7.668 -3.886 1.00 0.00 O ATOM 1012 CB GLN A 131 2.706 -10.053 -3.503 1.00 0.00 C ATOM 1013 CG GLN A 131 2.840 -11.567 -3.470 1.00 0.00 C ATOM 1014 CD GLN A 131 4.160 -12.024 -2.880 1.00 0.00 C ATOM 1015 OE1 GLN A 131 4.814 -11.284 -2.145 1.00 0.00 O ATOM 1016 NE2 GLN A 131 4.559 -13.249 -3.200 1.00 0.00 N ATOM 0 H GLN A 131 2.919 -10.485 -5.941 1.00 0.00 H new ATOM 0 HA GLN A 131 0.748 -10.089 -4.387 1.00 0.00 H new ATOM 0 HB2 GLN A 131 3.679 -9.615 -3.727 1.00 0.00 H new ATOM 0 HB3 GLN A 131 2.419 -9.700 -2.513 1.00 0.00 H new ATOM 0 HG2 GLN A 131 2.021 -11.988 -2.887 1.00 0.00 H new ATOM 0 HG3 GLN A 131 2.744 -11.958 -4.483 1.00 0.00 H new ATOM 0 HE21 GLN A 131 3.985 -13.828 -3.813 1.00 0.00 H new ATOM 0 HE22 GLN A 131 5.439 -13.611 -2.833 1.00 0.00 H new ATOM 1025 N ALA A 132 2.427 -7.243 -4.615 1.00 0.00 N ATOM 1026 CA ALA A 132 2.305 -5.799 -4.458 1.00 0.00 C ATOM 1027 C ALA A 132 1.234 -5.235 -5.385 1.00 0.00 C ATOM 1028 O ALA A 132 0.361 -4.482 -4.954 1.00 0.00 O ATOM 1029 CB ALA A 132 3.643 -5.125 -4.723 1.00 0.00 C ATOM 0 H ALA A 132 3.332 -7.554 -4.969 1.00 0.00 H new ATOM 0 HA ALA A 132 2.004 -5.594 -3.431 1.00 0.00 H new ATOM 0 HB1 ALA A 132 3.538 -4.047 -4.602 1.00 0.00 H new ATOM 0 HB2 ALA A 132 4.385 -5.498 -4.017 1.00 0.00 H new ATOM 0 HB3 ALA A 132 3.967 -5.346 -5.740 1.00 0.00 H new ATOM 1035 N ARG A 133 1.308 -5.602 -6.660 1.00 0.00 N ATOM 1036 CA ARG A 133 0.345 -5.131 -7.649 1.00 0.00 C ATOM 1037 C ARG A 133 -1.054 -5.043 -7.046 1.00 0.00 C ATOM 1038 O ARG A 133 -1.660 -3.973 -7.017 1.00 0.00 O ATOM 1039 CB ARG A 133 0.332 -6.061 -8.863 1.00 0.00 C ATOM 1040 CG ARG A 133 -0.714 -5.691 -9.902 1.00 0.00 C ATOM 1041 CD ARG A 133 -0.707 -6.664 -11.070 1.00 0.00 C ATOM 1042 NE ARG A 133 -1.840 -6.450 -11.967 1.00 0.00 N ATOM 1043 CZ ARG A 133 -2.046 -7.159 -13.072 1.00 0.00 C ATOM 1044 NH1 ARG A 133 -1.202 -8.122 -13.413 1.00 0.00 N ATOM 1045 NH2 ARG A 133 -3.100 -6.905 -13.837 1.00 0.00 N ATOM 0 H ARG A 133 2.025 -6.224 -7.033 1.00 0.00 H new ATOM 0 HA ARG A 133 0.648 -4.134 -7.968 1.00 0.00 H new ATOM 0 HB2 ARG A 133 1.317 -6.048 -9.330 1.00 0.00 H new ATOM 0 HB3 ARG A 133 0.152 -7.082 -8.526 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -1.701 -5.683 -9.439 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -0.525 -4.681 -10.267 1.00 0.00 H new ATOM 0 HD2 ARG A 133 0.223 -6.554 -11.628 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -0.733 -7.686 -10.691 1.00 0.00 H new ATOM 0 HE ARG A 133 -2.509 -5.717 -11.733 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -0.391 -8.321 -12.827 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -1.363 -8.664 -14.262 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -3.752 -6.165 -13.577 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -3.258 -7.449 -14.685 1.00 0.00 H new ATOM 1059 N GLN A 134 -1.558 -6.175 -6.567 1.00 0.00 N ATOM 1060 CA GLN A 134 -2.886 -6.225 -5.966 1.00 0.00 C ATOM 1061 C GLN A 134 -2.968 -5.310 -4.749 1.00 0.00 C ATOM 1062 O GLN A 134 -3.813 -4.418 -4.687 1.00 0.00 O ATOM 1063 CB GLN A 134 -3.233 -7.660 -5.565 1.00 0.00 C ATOM 1064 CG GLN A 134 -4.728 -7.936 -5.524 1.00 0.00 C ATOM 1065 CD GLN A 134 -5.049 -9.416 -5.571 1.00 0.00 C ATOM 1066 OE1 GLN A 134 -4.242 -10.225 -6.029 1.00 0.00 O ATOM 1067 NE2 GLN A 134 -6.234 -9.780 -5.095 1.00 0.00 N ATOM 0 H GLN A 134 -1.068 -7.069 -6.583 1.00 0.00 H new ATOM 0 HA GLN A 134 -3.606 -5.878 -6.707 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -2.764 -8.348 -6.268 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -2.807 -7.867 -4.584 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -5.148 -7.506 -4.615 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -5.209 -7.437 -6.365 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -6.873 -9.076 -4.724 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -6.505 -10.763 -5.100 1.00 0.00 H new ATOM 1076 N ALA A 135 -2.084 -5.538 -3.783 1.00 0.00 N ATOM 1077 CA ALA A 135 -2.055 -4.732 -2.568 1.00 0.00 C ATOM 1078 C ALA A 135 -2.368 -3.271 -2.871 1.00 0.00 C ATOM 1079 O ALA A 135 -3.292 -2.692 -2.299 1.00 0.00 O ATOM 1080 CB ALA A 135 -0.700 -4.854 -1.887 1.00 0.00 C ATOM 0 H ALA A 135 -1.379 -6.274 -3.818 1.00 0.00 H new ATOM 0 HA ALA A 135 -2.824 -5.108 -1.893 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -0.692 -4.247 -0.981 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -0.516 -5.896 -1.627 1.00 0.00 H new ATOM 0 HB3 ALA A 135 0.080 -4.506 -2.564 1.00 0.00 H new ATOM 1086 N LEU A 136 -1.592 -2.679 -3.772 1.00 0.00 N ATOM 1087 CA LEU A 136 -1.785 -1.284 -4.151 1.00 0.00 C ATOM 1088 C LEU A 136 -3.068 -1.112 -4.958 1.00 0.00 C ATOM 1089 O LEU A 136 -3.903 -0.264 -4.642 1.00 0.00 O ATOM 1090 CB LEU A 136 -0.588 -0.783 -4.961 1.00 0.00 C ATOM 1091 CG LEU A 136 -0.801 0.514 -5.741 1.00 0.00 C ATOM 1092 CD1 LEU A 136 0.535 1.155 -6.085 1.00 0.00 C ATOM 1093 CD2 LEU A 136 -1.609 0.252 -7.003 1.00 0.00 C ATOM 0 H LEU A 136 -0.823 -3.144 -4.254 1.00 0.00 H new ATOM 0 HA LEU A 136 -1.869 -0.694 -3.238 1.00 0.00 H new ATOM 0 HB2 LEU A 136 0.252 -0.640 -4.281 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -0.299 -1.563 -5.665 1.00 0.00 H new ATOM 0 HG LEU A 136 -1.362 1.205 -5.112 1.00 0.00 H new ATOM 0 HD11 LEU A 136 0.364 2.077 -6.640 1.00 0.00 H new ATOM 0 HD12 LEU A 136 1.078 1.380 -5.167 1.00 0.00 H new ATOM 0 HD13 LEU A 136 1.122 0.468 -6.695 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -1.750 1.187 -7.545 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -1.076 -0.457 -7.636 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -2.581 -0.162 -6.734 1.00 0.00 H new ATOM 1105 N ASP A 137 -3.218 -1.922 -6.001 1.00 0.00 N ATOM 1106 CA ASP A 137 -4.400 -1.862 -6.852 1.00 0.00 C ATOM 1107 C ASP A 137 -5.670 -1.769 -6.012 1.00 0.00 C ATOM 1108 O ASP A 137 -6.650 -1.142 -6.415 1.00 0.00 O ATOM 1109 CB ASP A 137 -4.463 -3.090 -7.761 1.00 0.00 C ATOM 1110 CG ASP A 137 -3.662 -2.909 -9.036 1.00 0.00 C ATOM 1111 OD1 ASP A 137 -3.773 -1.831 -9.658 1.00 0.00 O ATOM 1112 OD2 ASP A 137 -2.925 -3.844 -9.411 1.00 0.00 O ATOM 0 H ASP A 137 -2.535 -2.628 -6.277 1.00 0.00 H new ATOM 0 HA ASP A 137 -4.328 -0.967 -7.469 1.00 0.00 H new ATOM 0 HB2 ASP A 137 -4.088 -3.959 -7.220 1.00 0.00 H new ATOM 0 HB3 ASP A 137 -5.503 -3.297 -8.015 1.00 0.00 H new ATOM 1117 N LYS A 138 -5.647 -2.400 -4.843 1.00 0.00 N ATOM 1118 CA LYS A 138 -6.796 -2.389 -3.945 1.00 0.00 C ATOM 1119 C LYS A 138 -6.666 -1.279 -2.908 1.00 0.00 C ATOM 1120 O LYS A 138 -7.476 -0.351 -2.872 1.00 0.00 O ATOM 1121 CB LYS A 138 -6.934 -3.743 -3.244 1.00 0.00 C ATOM 1122 CG LYS A 138 -7.053 -4.915 -4.202 1.00 0.00 C ATOM 1123 CD LYS A 138 -8.421 -4.958 -4.862 1.00 0.00 C ATOM 1124 CE LYS A 138 -8.830 -6.382 -5.206 1.00 0.00 C ATOM 1125 NZ LYS A 138 -10.310 -6.549 -5.211 1.00 0.00 N ATOM 0 H LYS A 138 -4.845 -2.926 -4.495 1.00 0.00 H new ATOM 0 HA LYS A 138 -7.689 -2.202 -4.541 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -6.069 -3.898 -2.599 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -7.813 -3.721 -2.599 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -6.281 -4.840 -4.968 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -6.879 -5.846 -3.663 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -9.162 -4.517 -4.195 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -8.408 -4.353 -5.769 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -8.431 -6.648 -6.185 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -8.389 -7.070 -4.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -10.548 -7.533 -5.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -10.688 -6.320 -4.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -10.729 -5.911 -5.917 1.00 0.00 H new ATOM 1139 N LEU A 139 -5.643 -1.378 -2.067 1.00 0.00 N ATOM 1140 CA LEU A 139 -5.406 -0.380 -1.029 1.00 0.00 C ATOM 1141 C LEU A 139 -5.510 1.032 -1.598 1.00 0.00 C ATOM 1142 O LEU A 139 -6.215 1.880 -1.053 1.00 0.00 O ATOM 1143 CB LEU A 139 -4.028 -0.588 -0.399 1.00 0.00 C ATOM 1144 CG LEU A 139 -3.836 -1.890 0.380 1.00 0.00 C ATOM 1145 CD1 LEU A 139 -2.358 -2.148 0.631 1.00 0.00 C ATOM 1146 CD2 LEU A 139 -4.602 -1.843 1.694 1.00 0.00 C ATOM 0 H LEU A 139 -4.964 -2.139 -2.083 1.00 0.00 H new ATOM 0 HA LEU A 139 -6.171 -0.500 -0.262 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -3.279 -0.547 -1.190 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -3.828 0.247 0.273 1.00 0.00 H new ATOM 0 HG LEU A 139 -4.231 -2.711 -0.218 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -2.240 -3.078 1.186 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -1.835 -2.226 -0.322 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -1.938 -1.325 1.209 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -4.454 -2.778 2.235 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -4.237 -1.012 2.298 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -5.664 -1.705 1.491 1.00 0.00 H new ATOM 1158 N ASN A 140 -4.803 1.275 -2.697 1.00 0.00 N ATOM 1159 CA ASN A 140 -4.817 2.584 -3.340 1.00 0.00 C ATOM 1160 C ASN A 140 -6.219 3.185 -3.320 1.00 0.00 C ATOM 1161 O ASN A 140 -6.384 4.403 -3.367 1.00 0.00 O ATOM 1162 CB ASN A 140 -4.320 2.471 -4.783 1.00 0.00 C ATOM 1163 CG ASN A 140 -4.483 3.767 -5.553 1.00 0.00 C ATOM 1164 OD1 ASN A 140 -5.595 4.271 -5.714 1.00 0.00 O ATOM 1165 ND2 ASN A 140 -3.372 4.313 -6.035 1.00 0.00 N ATOM 0 H ASN A 140 -4.214 0.583 -3.160 1.00 0.00 H new ATOM 0 HA ASN A 140 -4.150 3.242 -2.783 1.00 0.00 H new ATOM 0 HB2 ASN A 140 -3.269 2.182 -4.781 1.00 0.00 H new ATOM 0 HB3 ASN A 140 -4.867 1.678 -5.292 1.00 0.00 H new ATOM 0 HD21 ASN A 140 -3.419 5.185 -6.563 1.00 0.00 H new ATOM 0 HD22 ASN A 140 -2.472 3.861 -5.877 1.00 0.00 H new ATOM 1172 N GLY A 141 -7.227 2.321 -3.248 1.00 0.00 N ATOM 1173 CA GLY A 141 -8.602 2.785 -3.222 1.00 0.00 C ATOM 1174 C GLY A 141 -9.409 2.145 -2.109 1.00 0.00 C ATOM 1175 O GLY A 141 -10.599 2.422 -1.957 1.00 0.00 O ATOM 0 H GLY A 141 -7.116 1.308 -3.207 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -8.615 3.868 -3.099 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -9.074 2.567 -4.180 1.00 0.00 H new ATOM 1179 N PHE A 142 -8.761 1.285 -1.330 1.00 0.00 N ATOM 1180 CA PHE A 142 -9.427 0.601 -0.228 1.00 0.00 C ATOM 1181 C PHE A 142 -9.896 1.599 0.827 1.00 0.00 C ATOM 1182 O PHE A 142 -9.098 2.102 1.617 1.00 0.00 O ATOM 1183 CB PHE A 142 -8.486 -0.425 0.407 1.00 0.00 C ATOM 1184 CG PHE A 142 -9.156 -1.305 1.423 1.00 0.00 C ATOM 1185 CD1 PHE A 142 -9.577 -0.786 2.638 1.00 0.00 C ATOM 1186 CD2 PHE A 142 -9.365 -2.650 1.165 1.00 0.00 C ATOM 1187 CE1 PHE A 142 -10.193 -1.594 3.575 1.00 0.00 C ATOM 1188 CE2 PHE A 142 -9.981 -3.462 2.098 1.00 0.00 C ATOM 1189 CZ PHE A 142 -10.396 -2.933 3.304 1.00 0.00 C ATOM 0 H PHE A 142 -7.776 1.045 -1.442 1.00 0.00 H new ATOM 0 HA PHE A 142 -10.300 0.084 -0.628 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -8.060 -1.050 -0.378 1.00 0.00 H new ATOM 0 HB3 PHE A 142 -7.657 0.099 0.883 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -9.422 0.261 2.854 1.00 0.00 H new ATOM 0 HD2 PHE A 142 -9.043 -3.069 0.223 1.00 0.00 H new ATOM 0 HE1 PHE A 142 -10.515 -1.179 4.518 1.00 0.00 H new ATOM 0 HE2 PHE A 142 -10.138 -4.509 1.884 1.00 0.00 H new ATOM 0 HZ PHE A 142 -10.879 -3.565 4.034 1.00 0.00 H new ATOM 1199 N GLN A 143 -11.195 1.879 0.832 1.00 0.00 N ATOM 1200 CA GLN A 143 -11.770 2.818 1.788 1.00 0.00 C ATOM 1201 C GLN A 143 -11.820 2.208 3.186 1.00 0.00 C ATOM 1202 O GLN A 143 -12.360 1.118 3.380 1.00 0.00 O ATOM 1203 CB GLN A 143 -13.176 3.230 1.348 1.00 0.00 C ATOM 1204 CG GLN A 143 -13.587 4.608 1.841 1.00 0.00 C ATOM 1205 CD GLN A 143 -14.979 5.000 1.384 1.00 0.00 C ATOM 1206 OE1 GLN A 143 -15.524 4.417 0.446 1.00 0.00 O ATOM 1207 NE2 GLN A 143 -15.562 5.992 2.045 1.00 0.00 N ATOM 0 H GLN A 143 -11.869 1.469 0.185 1.00 0.00 H new ATOM 0 HA GLN A 143 -11.133 3.702 1.819 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -13.227 3.212 0.259 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -13.892 2.494 1.713 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -13.547 4.627 2.930 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -12.870 5.347 1.483 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -15.074 6.447 2.816 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -16.498 6.299 1.782 1.00 0.00 H new ATOM 1216 N LEU A 144 -11.254 2.918 4.156 1.00 0.00 N ATOM 1217 CA LEU A 144 -11.234 2.447 5.536 1.00 0.00 C ATOM 1218 C LEU A 144 -11.540 3.585 6.504 1.00 0.00 C ATOM 1219 O LEU A 144 -11.038 4.698 6.347 1.00 0.00 O ATOM 1220 CB LEU A 144 -9.873 1.833 5.867 1.00 0.00 C ATOM 1221 CG LEU A 144 -9.839 0.879 7.061 1.00 0.00 C ATOM 1222 CD1 LEU A 144 -8.624 -0.033 6.981 1.00 0.00 C ATOM 1223 CD2 LEU A 144 -9.837 1.660 8.367 1.00 0.00 C ATOM 0 H LEU A 144 -10.803 3.822 4.012 1.00 0.00 H new ATOM 0 HA LEU A 144 -12.005 1.685 5.645 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -9.516 1.296 4.988 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -9.168 2.643 6.054 1.00 0.00 H new ATOM 0 HG LEU A 144 -10.735 0.259 7.033 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -8.616 -0.705 7.839 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -8.668 -0.618 6.062 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -7.716 0.570 6.984 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -9.813 0.965 9.206 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -8.959 2.305 8.404 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -10.738 2.270 8.427 1.00 0.00 H new ATOM 1235 N GLU A 145 -12.364 3.298 7.507 1.00 0.00 N ATOM 1236 CA GLU A 145 -12.735 4.298 8.501 1.00 0.00 C ATOM 1237 C GLU A 145 -12.856 5.679 7.864 1.00 0.00 C ATOM 1238 O GLU A 145 -12.438 6.680 8.444 1.00 0.00 O ATOM 1239 CB GLU A 145 -11.703 4.333 9.630 1.00 0.00 C ATOM 1240 CG GLU A 145 -11.617 3.036 10.417 1.00 0.00 C ATOM 1241 CD GLU A 145 -12.519 3.032 11.636 1.00 0.00 C ATOM 1242 OE1 GLU A 145 -13.753 2.952 11.459 1.00 0.00 O ATOM 1243 OE2 GLU A 145 -11.992 3.108 12.765 1.00 0.00 O ATOM 0 H GLU A 145 -12.787 2.381 7.653 1.00 0.00 H new ATOM 0 HA GLU A 145 -13.705 4.021 8.914 1.00 0.00 H new ATOM 0 HB2 GLU A 145 -10.723 4.558 9.208 1.00 0.00 H new ATOM 0 HB3 GLU A 145 -11.951 5.146 10.312 1.00 0.00 H new ATOM 0 HG2 GLU A 145 -11.886 2.203 9.768 1.00 0.00 H new ATOM 0 HG3 GLU A 145 -10.586 2.874 10.732 1.00 0.00 H new ATOM 1250 N ASN A 146 -13.431 5.724 6.667 1.00 0.00 N ATOM 1251 CA ASN A 146 -13.607 6.982 5.950 1.00 0.00 C ATOM 1252 C ASN A 146 -12.258 7.572 5.549 1.00 0.00 C ATOM 1253 O ASN A 146 -12.010 8.763 5.737 1.00 0.00 O ATOM 1254 CB ASN A 146 -14.378 7.982 6.814 1.00 0.00 C ATOM 1255 CG ASN A 146 -15.699 7.423 7.305 1.00 0.00 C ATOM 1256 OD1 ASN A 146 -15.795 6.920 8.425 1.00 0.00 O ATOM 1257 ND2 ASN A 146 -16.726 7.509 6.467 1.00 0.00 N ATOM 0 H ASN A 146 -13.783 4.904 6.173 1.00 0.00 H new ATOM 0 HA ASN A 146 -14.179 6.779 5.044 1.00 0.00 H new ATOM 0 HB2 ASN A 146 -13.766 8.266 7.670 1.00 0.00 H new ATOM 0 HB3 ASN A 146 -14.562 8.889 6.239 1.00 0.00 H new ATOM 0 HD21 ASN A 146 -17.640 7.150 6.742 1.00 0.00 H new ATOM 0 HD22 ASN A 146 -16.600 7.934 5.548 1.00 0.00 H new ATOM 1264 N PHE A 147 -11.391 6.731 4.996 1.00 0.00 N ATOM 1265 CA PHE A 147 -10.068 7.169 4.569 1.00 0.00 C ATOM 1266 C PHE A 147 -9.568 6.329 3.397 1.00 0.00 C ATOM 1267 O PHE A 147 -9.174 5.175 3.568 1.00 0.00 O ATOM 1268 CB PHE A 147 -9.078 7.081 5.732 1.00 0.00 C ATOM 1269 CG PHE A 147 -9.105 8.282 6.635 1.00 0.00 C ATOM 1270 CD1 PHE A 147 -8.487 9.463 6.258 1.00 0.00 C ATOM 1271 CD2 PHE A 147 -9.750 8.229 7.860 1.00 0.00 C ATOM 1272 CE1 PHE A 147 -8.511 10.569 7.085 1.00 0.00 C ATOM 1273 CE2 PHE A 147 -9.777 9.332 8.692 1.00 0.00 C ATOM 1274 CZ PHE A 147 -9.156 10.504 8.305 1.00 0.00 C ATOM 0 H PHE A 147 -11.581 5.742 4.833 1.00 0.00 H new ATOM 0 HA PHE A 147 -10.145 8.206 4.243 1.00 0.00 H new ATOM 0 HB2 PHE A 147 -9.298 6.190 6.319 1.00 0.00 H new ATOM 0 HB3 PHE A 147 -8.071 6.959 5.333 1.00 0.00 H new ATOM 0 HD1 PHE A 147 -7.980 9.520 5.306 1.00 0.00 H new ATOM 0 HD2 PHE A 147 -10.237 7.316 8.168 1.00 0.00 H new ATOM 0 HE1 PHE A 147 -8.026 11.484 6.778 1.00 0.00 H new ATOM 0 HE2 PHE A 147 -10.283 9.278 9.644 1.00 0.00 H new ATOM 0 HZ PHE A 147 -9.175 11.367 8.954 1.00 0.00 H new ATOM 1284 N THR A 148 -9.589 6.916 2.204 1.00 0.00 N ATOM 1285 CA THR A 148 -9.141 6.222 1.003 1.00 0.00 C ATOM 1286 C THR A 148 -7.637 5.977 1.039 1.00 0.00 C ATOM 1287 O THR A 148 -6.848 6.834 0.640 1.00 0.00 O ATOM 1288 CB THR A 148 -9.490 7.018 -0.269 1.00 0.00 C ATOM 1289 OG1 THR A 148 -10.840 7.488 -0.197 1.00 0.00 O ATOM 1290 CG2 THR A 148 -9.311 6.158 -1.511 1.00 0.00 C ATOM 0 H THR A 148 -9.912 7.870 2.044 1.00 0.00 H new ATOM 0 HA THR A 148 -9.662 5.265 0.978 1.00 0.00 H new ATOM 0 HB THR A 148 -8.813 7.870 -0.336 1.00 0.00 H new ATOM 0 HG1 THR A 148 -11.054 7.994 -1.008 1.00 0.00 H new ATOM 0 HG21 THR A 148 -9.563 6.741 -2.397 1.00 0.00 H new ATOM 0 HG22 THR A 148 -8.275 5.826 -1.578 1.00 0.00 H new ATOM 0 HG23 THR A 148 -9.967 5.289 -1.450 1.00 0.00 H new ATOM 1298 N LEU A 149 -7.245 4.801 1.518 1.00 0.00 N ATOM 1299 CA LEU A 149 -5.834 4.442 1.605 1.00 0.00 C ATOM 1300 C LEU A 149 -5.110 4.759 0.300 1.00 0.00 C ATOM 1301 O LEU A 149 -5.382 4.153 -0.737 1.00 0.00 O ATOM 1302 CB LEU A 149 -5.685 2.956 1.936 1.00 0.00 C ATOM 1303 CG LEU A 149 -6.469 2.457 3.150 1.00 0.00 C ATOM 1304 CD1 LEU A 149 -6.371 0.944 3.264 1.00 0.00 C ATOM 1305 CD2 LEU A 149 -5.964 3.123 4.422 1.00 0.00 C ATOM 0 H LEU A 149 -7.885 4.080 1.852 1.00 0.00 H new ATOM 0 HA LEU A 149 -5.383 5.033 2.402 1.00 0.00 H new ATOM 0 HB2 LEU A 149 -5.995 2.378 1.066 1.00 0.00 H new ATOM 0 HB3 LEU A 149 -4.628 2.745 2.099 1.00 0.00 H new ATOM 0 HG LEU A 149 -7.517 2.724 3.015 1.00 0.00 H new ATOM 0 HD11 LEU A 149 -6.935 0.607 4.134 1.00 0.00 H new ATOM 0 HD12 LEU A 149 -6.781 0.484 2.365 1.00 0.00 H new ATOM 0 HD13 LEU A 149 -5.326 0.654 3.375 1.00 0.00 H new ATOM 0 HD21 LEU A 149 -6.534 2.756 5.276 1.00 0.00 H new ATOM 0 HD22 LEU A 149 -4.909 2.888 4.562 1.00 0.00 H new ATOM 0 HD23 LEU A 149 -6.087 4.203 4.341 1.00 0.00 H new ATOM 1317 N LYS A 150 -4.185 5.711 0.359 1.00 0.00 N ATOM 1318 CA LYS A 150 -3.419 6.107 -0.817 1.00 0.00 C ATOM 1319 C LYS A 150 -2.119 5.315 -0.911 1.00 0.00 C ATOM 1320 O LYS A 150 -1.248 5.426 -0.048 1.00 0.00 O ATOM 1321 CB LYS A 150 -3.112 7.606 -0.770 1.00 0.00 C ATOM 1322 CG LYS A 150 -4.353 8.478 -0.679 1.00 0.00 C ATOM 1323 CD LYS A 150 -4.068 9.901 -1.128 1.00 0.00 C ATOM 1324 CE LYS A 150 -5.301 10.552 -1.736 1.00 0.00 C ATOM 1325 NZ LYS A 150 -5.066 11.984 -2.069 1.00 0.00 N ATOM 0 H LYS A 150 -3.948 6.223 1.209 1.00 0.00 H new ATOM 0 HA LYS A 150 -4.020 5.892 -1.701 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -2.471 7.810 0.087 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -2.549 7.881 -1.662 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -5.144 8.052 -1.296 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -4.719 8.486 0.348 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -3.726 10.490 -0.277 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -3.259 9.898 -1.859 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -5.589 10.012 -2.638 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -6.134 10.474 -1.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -5.930 12.391 -2.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -4.816 12.505 -1.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -4.288 12.058 -2.755 1.00 0.00 H new ATOM 1339 N VAL A 151 -1.994 4.515 -1.965 1.00 0.00 N ATOM 1340 CA VAL A 151 -0.799 3.706 -2.173 1.00 0.00 C ATOM 1341 C VAL A 151 -0.119 4.059 -3.491 1.00 0.00 C ATOM 1342 O VAL A 151 -0.772 4.174 -4.527 1.00 0.00 O ATOM 1343 CB VAL A 151 -1.131 2.202 -2.167 1.00 0.00 C ATOM 1344 CG1 VAL A 151 0.143 1.373 -2.116 1.00 0.00 C ATOM 1345 CG2 VAL A 151 -2.044 1.863 -0.997 1.00 0.00 C ATOM 0 H VAL A 151 -2.706 4.410 -2.688 1.00 0.00 H new ATOM 0 HA VAL A 151 -0.122 3.925 -1.347 1.00 0.00 H new ATOM 0 HB VAL A 151 -1.656 1.960 -3.091 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -0.112 0.313 -2.112 1.00 0.00 H new ATOM 0 HG12 VAL A 151 0.757 1.595 -2.989 1.00 0.00 H new ATOM 0 HG13 VAL A 151 0.699 1.615 -1.210 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -2.269 0.796 -1.008 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -1.547 2.120 -0.061 1.00 0.00 H new ATOM 0 HG23 VAL A 151 -2.971 2.430 -1.083 1.00 0.00 H new ATOM 1355 N ALA A 152 1.198 4.229 -3.444 1.00 0.00 N ATOM 1356 CA ALA A 152 1.968 4.567 -4.635 1.00 0.00 C ATOM 1357 C ALA A 152 3.326 3.873 -4.625 1.00 0.00 C ATOM 1358 O ALA A 152 3.949 3.721 -3.574 1.00 0.00 O ATOM 1359 CB ALA A 152 2.144 6.075 -4.739 1.00 0.00 C ATOM 0 H ALA A 152 1.754 4.138 -2.594 1.00 0.00 H new ATOM 0 HA ALA A 152 1.416 4.216 -5.507 1.00 0.00 H new ATOM 0 HB1 ALA A 152 2.721 6.313 -5.633 1.00 0.00 H new ATOM 0 HB2 ALA A 152 1.166 6.552 -4.800 1.00 0.00 H new ATOM 0 HB3 ALA A 152 2.672 6.441 -3.858 1.00 0.00 H new ATOM 1365 N TYR A 153 3.779 3.455 -5.801 1.00 0.00 N ATOM 1366 CA TYR A 153 5.063 2.774 -5.928 1.00 0.00 C ATOM 1367 C TYR A 153 6.217 3.730 -5.643 1.00 0.00 C ATOM 1368 O TYR A 153 6.519 4.613 -6.447 1.00 0.00 O ATOM 1369 CB TYR A 153 5.212 2.179 -7.329 1.00 0.00 C ATOM 1370 CG TYR A 153 4.664 0.776 -7.453 1.00 0.00 C ATOM 1371 CD1 TYR A 153 5.329 -0.304 -6.886 1.00 0.00 C ATOM 1372 CD2 TYR A 153 3.479 0.530 -8.136 1.00 0.00 C ATOM 1373 CE1 TYR A 153 4.832 -1.588 -6.997 1.00 0.00 C ATOM 1374 CE2 TYR A 153 2.973 -0.751 -8.251 1.00 0.00 C ATOM 1375 CZ TYR A 153 3.653 -1.806 -7.681 1.00 0.00 C ATOM 1376 OH TYR A 153 3.154 -3.084 -7.793 1.00 0.00 O ATOM 0 H TYR A 153 3.277 3.575 -6.681 1.00 0.00 H new ATOM 0 HA TYR A 153 5.093 1.969 -5.194 1.00 0.00 H new ATOM 0 HB2 TYR A 153 4.702 2.824 -8.044 1.00 0.00 H new ATOM 0 HB3 TYR A 153 6.267 2.173 -7.602 1.00 0.00 H new ATOM 0 HD1 TYR A 153 6.251 -0.137 -6.349 1.00 0.00 H new ATOM 0 HD2 TYR A 153 2.944 1.354 -8.585 1.00 0.00 H new ATOM 0 HE1 TYR A 153 5.363 -2.416 -6.551 1.00 0.00 H new ATOM 0 HE2 TYR A 153 2.050 -0.924 -8.784 1.00 0.00 H new ATOM 0 HH TYR A 153 3.420 -3.609 -7.009 1.00 0.00 H new ATOM 1386 N ILE A 154 6.858 3.547 -4.494 1.00 0.00 N ATOM 1387 CA ILE A 154 7.980 4.391 -4.103 1.00 0.00 C ATOM 1388 C ILE A 154 9.083 4.363 -5.157 1.00 0.00 C ATOM 1389 O ILE A 154 9.421 3.316 -5.709 1.00 0.00 O ATOM 1390 CB ILE A 154 8.569 3.954 -2.749 1.00 0.00 C ATOM 1391 CG1 ILE A 154 7.493 4.001 -1.662 1.00 0.00 C ATOM 1392 CG2 ILE A 154 9.748 4.840 -2.373 1.00 0.00 C ATOM 1393 CD1 ILE A 154 8.027 3.739 -0.271 1.00 0.00 C ATOM 0 H ILE A 154 6.620 2.822 -3.817 1.00 0.00 H new ATOM 0 HA ILE A 154 7.594 5.406 -4.011 1.00 0.00 H new ATOM 0 HB ILE A 154 8.925 2.928 -2.838 1.00 0.00 H new ATOM 0 HG12 ILE A 154 7.013 4.979 -1.680 1.00 0.00 H new ATOM 0 HG13 ILE A 154 6.724 3.264 -1.892 1.00 0.00 H new ATOM 0 HG21 ILE A 154 10.153 4.518 -1.414 1.00 0.00 H new ATOM 0 HG22 ILE A 154 10.521 4.762 -3.138 1.00 0.00 H new ATOM 0 HG23 ILE A 154 9.416 5.875 -2.298 1.00 0.00 H new ATOM 0 HD11 ILE A 154 7.209 3.788 0.448 1.00 0.00 H new ATOM 0 HD12 ILE A 154 8.482 2.749 -0.236 1.00 0.00 H new ATOM 0 HD13 ILE A 154 8.775 4.491 -0.021 1.00 0.00 H new