USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=15 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 129 LYS NZ :NH3+ -135:sc= 1.59 (180deg=-0.454) USER MOD Set 1.2: A 153 TYR OH : rot 180:sc= 0.225 USER MOD Set 2.1: A 117 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 119 THR OG1 : rot -130:sc= 0 USER MOD Set 3.1: A 84 GLN : amide:sc= 0 X(o=-5.8,f=-5.8) USER MOD Set 3.2: A 123 ASN : amide:sc= -5.78! C(o=-5.8!,f=-11!) USER MOD Set 4.1: A 82 LYS NZ :NH3+ 173:sc= -0.219 (180deg=-0.444) USER MOD Set 4.2: A 125 THR OG1 : rot 79:sc= 0.132 USER MOD Single : A 87 ASN : amide:sc= -0.282 X(o=-0.28,f=-0.28) USER MOD Single : A 91 HIS : no HD1:sc= -0.2 X(o=-0.2,f=-0.0036) USER MOD Single : A 93 GLN : amide:sc= -0.193 K(o=-0.19,f=-2.8!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc=-0.00465 X(o=-0.0046,f=-0.0046) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 114 ASN : amide:sc= 0.146 K(o=0.15,f=-0.89!) USER MOD Single : A 115 THR OG1 : rot -53:sc= 0.456 USER MOD Single : A 126 TYR OH : rot -13:sc= 0.431 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 131 GLN : amide:sc= -3.4! C(o=-3.4!,f=-7.5!) USER MOD Single : A 134 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 ASN : amide:sc= -0.133 K(o=-0.13,f=-0.82) USER MOD Single : A 143 GLN : amide:sc= -2.75! C(o=-2.7!,f=-9.5!) USER MOD Single : A 146 ASN : amide:sc= -0.363 K(o=-0.36,f=-0.93) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0.00763 USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 237 N LYS A 82 9.297 -1.324 -3.201 1.00 0.00 N ATOM 238 CA LYS A 82 8.679 -0.771 -2.002 1.00 0.00 C ATOM 239 C LYS A 82 7.412 0.004 -2.350 1.00 0.00 C ATOM 240 O LYS A 82 7.337 0.653 -3.395 1.00 0.00 O ATOM 241 CB LYS A 82 9.664 0.143 -1.271 1.00 0.00 C ATOM 242 CG LYS A 82 10.494 -0.573 -0.219 1.00 0.00 C ATOM 243 CD LYS A 82 11.205 0.410 0.696 1.00 0.00 C ATOM 244 CE LYS A 82 10.272 0.944 1.772 1.00 0.00 C ATOM 245 NZ LYS A 82 10.107 -0.022 2.893 1.00 0.00 N ATOM 0 HA LYS A 82 8.408 -1.600 -1.348 1.00 0.00 H new ATOM 0 HB2 LYS A 82 10.333 0.599 -2.001 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.111 0.953 -0.796 1.00 0.00 H new ATOM 0 HG2 LYS A 82 9.850 -1.222 0.374 1.00 0.00 H new ATOM 0 HG3 LYS A 82 11.229 -1.213 -0.708 1.00 0.00 H new ATOM 0 HD2 LYS A 82 12.059 -0.079 1.164 1.00 0.00 H new ATOM 0 HD3 LYS A 82 11.596 1.240 0.107 1.00 0.00 H new ATOM 0 HE2 LYS A 82 10.664 1.885 2.158 1.00 0.00 H new ATOM 0 HE3 LYS A 82 9.298 1.161 1.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 9.562 0.424 3.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 9.601 -0.865 2.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 11.043 -0.301 3.252 1.00 0.00 H new ATOM 259 N LEU A 83 6.420 -0.066 -1.470 1.00 0.00 N ATOM 260 CA LEU A 83 5.157 0.631 -1.684 1.00 0.00 C ATOM 261 C LEU A 83 4.855 1.579 -0.527 1.00 0.00 C ATOM 262 O LEU A 83 5.080 1.245 0.636 1.00 0.00 O ATOM 263 CB LEU A 83 4.017 -0.376 -1.843 1.00 0.00 C ATOM 264 CG LEU A 83 3.999 -1.169 -3.150 1.00 0.00 C ATOM 265 CD1 LEU A 83 3.166 -2.432 -2.997 1.00 0.00 C ATOM 266 CD2 LEU A 83 3.467 -0.311 -4.288 1.00 0.00 C ATOM 0 H LEU A 83 6.466 -0.598 -0.601 1.00 0.00 H new ATOM 0 HA LEU A 83 5.245 1.219 -2.598 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.064 -1.082 -1.014 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.071 0.159 -1.753 1.00 0.00 H new ATOM 0 HG LEU A 83 5.022 -1.460 -3.390 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.165 -2.983 -3.937 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.592 -3.056 -2.211 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.143 -2.163 -2.733 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.462 -0.892 -5.210 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.452 0.012 -4.057 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.106 0.563 -4.414 1.00 0.00 H new ATOM 278 N GLN A 84 4.343 2.761 -0.856 1.00 0.00 N ATOM 279 CA GLN A 84 4.010 3.756 0.156 1.00 0.00 C ATOM 280 C GLN A 84 2.500 3.849 0.351 1.00 0.00 C ATOM 281 O GLN A 84 1.751 4.040 -0.607 1.00 0.00 O ATOM 282 CB GLN A 84 4.570 5.124 -0.239 1.00 0.00 C ATOM 283 CG GLN A 84 4.103 6.256 0.662 1.00 0.00 C ATOM 284 CD GLN A 84 5.044 7.444 0.641 1.00 0.00 C ATOM 285 OE1 GLN A 84 4.813 8.422 -0.071 1.00 0.00 O ATOM 286 NE2 GLN A 84 6.114 7.366 1.424 1.00 0.00 N ATOM 0 H GLN A 84 4.150 3.052 -1.814 1.00 0.00 H new ATOM 0 HA GLN A 84 4.462 3.445 1.098 1.00 0.00 H new ATOM 0 HB2 GLN A 84 5.659 5.081 -0.219 1.00 0.00 H new ATOM 0 HB3 GLN A 84 4.278 5.344 -1.266 1.00 0.00 H new ATOM 0 HG2 GLN A 84 3.110 6.578 0.349 1.00 0.00 H new ATOM 0 HG3 GLN A 84 4.011 5.888 1.684 1.00 0.00 H new ATOM 0 HE21 GLN A 84 6.267 6.537 1.998 1.00 0.00 H new ATOM 0 HE22 GLN A 84 6.783 8.135 1.451 1.00 0.00 H new ATOM 295 N ILE A 85 2.060 3.712 1.598 1.00 0.00 N ATOM 296 CA ILE A 85 0.640 3.781 1.918 1.00 0.00 C ATOM 297 C ILE A 85 0.344 4.944 2.859 1.00 0.00 C ATOM 298 O ILE A 85 0.980 5.088 3.903 1.00 0.00 O ATOM 299 CB ILE A 85 0.144 2.474 2.564 1.00 0.00 C ATOM 300 CG1 ILE A 85 0.566 1.270 1.719 1.00 0.00 C ATOM 301 CG2 ILE A 85 -1.367 2.506 2.733 1.00 0.00 C ATOM 302 CD1 ILE A 85 0.257 -0.061 2.368 1.00 0.00 C ATOM 0 H ILE A 85 2.667 3.553 2.402 1.00 0.00 H new ATOM 0 HA ILE A 85 0.112 3.935 0.977 1.00 0.00 H new ATOM 0 HB ILE A 85 0.598 2.379 3.551 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.063 1.320 0.753 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.637 1.330 1.524 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.702 1.575 3.191 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.644 3.345 3.372 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.840 2.621 1.758 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.583 -0.869 1.713 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.782 -0.132 3.321 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -0.817 -0.142 2.538 1.00 0.00 H new ATOM 314 N ARG A 86 -0.625 5.771 2.482 1.00 0.00 N ATOM 315 CA ARG A 86 -1.006 6.922 3.292 1.00 0.00 C ATOM 316 C ARG A 86 -2.518 6.967 3.496 1.00 0.00 C ATOM 317 O ARG A 86 -3.239 6.068 3.067 1.00 0.00 O ATOM 318 CB ARG A 86 -0.530 8.217 2.632 1.00 0.00 C ATOM 319 CG ARG A 86 0.970 8.264 2.393 1.00 0.00 C ATOM 320 CD ARG A 86 1.315 9.113 1.180 1.00 0.00 C ATOM 321 NE ARG A 86 0.881 10.498 1.340 1.00 0.00 N ATOM 322 CZ ARG A 86 0.686 11.330 0.323 1.00 0.00 C ATOM 323 NH1 ARG A 86 0.884 10.918 -0.922 1.00 0.00 N ATOM 324 NH2 ARG A 86 0.290 12.576 0.549 1.00 0.00 N ATOM 0 H ARG A 86 -1.161 5.666 1.621 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.528 6.823 4.267 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.045 8.340 1.679 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.816 9.061 3.260 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.467 8.668 3.275 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.348 7.252 2.250 1.00 0.00 H new ATOM 0 HD2 ARG A 86 2.392 9.088 1.014 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.846 8.686 0.294 1.00 0.00 H new ATOM 0 HE ARG A 86 0.719 10.846 2.285 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.187 9.960 -1.100 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.734 11.559 -1.701 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.135 12.896 1.505 1.00 0.00 H new ATOM 0 HH22 ARG A 86 0.141 13.214 -0.233 1.00 0.00 H new ATOM 338 N ASN A 87 -2.989 8.021 4.154 1.00 0.00 N ATOM 339 CA ASN A 87 -4.415 8.184 4.415 1.00 0.00 C ATOM 340 C ASN A 87 -4.928 7.082 5.338 1.00 0.00 C ATOM 341 O ASN A 87 -6.069 6.636 5.213 1.00 0.00 O ATOM 342 CB ASN A 87 -5.200 8.171 3.102 1.00 0.00 C ATOM 343 CG ASN A 87 -5.402 9.564 2.536 1.00 0.00 C ATOM 344 OD1 ASN A 87 -4.450 10.332 2.395 1.00 0.00 O ATOM 345 ND2 ASN A 87 -6.645 9.895 2.208 1.00 0.00 N ATOM 0 H ASN A 87 -2.405 8.775 4.516 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.561 9.145 4.908 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -4.672 7.558 2.372 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -6.171 7.704 3.267 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -6.842 10.818 1.822 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -7.403 9.226 2.342 1.00 0.00 H new ATOM 352 N ILE A 88 -4.078 6.649 6.262 1.00 0.00 N ATOM 353 CA ILE A 88 -4.445 5.602 7.207 1.00 0.00 C ATOM 354 C ILE A 88 -5.030 6.194 8.485 1.00 0.00 C ATOM 355 O ILE A 88 -4.488 7.134 9.067 1.00 0.00 O ATOM 356 CB ILE A 88 -3.235 4.720 7.569 1.00 0.00 C ATOM 357 CG1 ILE A 88 -2.651 4.076 6.310 1.00 0.00 C ATOM 358 CG2 ILE A 88 -3.639 3.655 8.577 1.00 0.00 C ATOM 359 CD1 ILE A 88 -1.254 3.530 6.505 1.00 0.00 C ATOM 0 H ILE A 88 -3.130 7.007 6.377 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.199 4.986 6.717 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.468 5.348 8.022 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.307 3.267 5.987 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.636 4.814 5.508 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.773 3.040 8.823 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.013 4.134 9.482 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.421 3.027 8.149 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.903 3.088 5.573 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.585 4.339 6.798 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.266 2.769 7.285 1.00 0.00 H new ATOM 371 N PRO A 89 -6.161 5.631 8.934 1.00 0.00 N ATOM 372 CA PRO A 89 -6.843 6.086 10.149 1.00 0.00 C ATOM 373 C PRO A 89 -6.059 5.751 11.414 1.00 0.00 C ATOM 374 O PRO A 89 -5.699 4.600 11.663 1.00 0.00 O ATOM 375 CB PRO A 89 -8.167 5.318 10.122 1.00 0.00 C ATOM 376 CG PRO A 89 -7.880 4.097 9.318 1.00 0.00 C ATOM 377 CD PRO A 89 -6.862 4.507 8.290 1.00 0.00 C ATOM 0 HA PRO A 89 -6.963 7.169 10.167 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -8.496 5.061 11.129 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -8.961 5.913 9.669 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -7.496 3.296 9.949 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -8.786 3.722 8.842 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -6.180 3.691 8.052 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.334 4.810 7.355 1.00 0.00 H new ATOM 385 N PRO A 90 -5.788 6.778 12.232 1.00 0.00 N ATOM 386 CA PRO A 90 -5.044 6.617 13.485 1.00 0.00 C ATOM 387 C PRO A 90 -5.844 5.859 14.540 1.00 0.00 C ATOM 388 O PRO A 90 -5.376 5.657 15.661 1.00 0.00 O ATOM 389 CB PRO A 90 -4.793 8.057 13.937 1.00 0.00 C ATOM 390 CG PRO A 90 -5.890 8.847 13.311 1.00 0.00 C ATOM 391 CD PRO A 90 -6.187 8.176 11.998 1.00 0.00 C ATOM 0 HA PRO A 90 -4.133 6.035 13.346 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -4.815 8.140 15.024 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -3.815 8.410 13.610 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -6.773 8.863 13.950 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.587 9.883 13.160 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -7.242 8.254 11.736 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -5.622 8.624 11.181 1.00 0.00 H new ATOM 399 N HIS A 91 -7.052 5.443 14.175 1.00 0.00 N ATOM 400 CA HIS A 91 -7.916 4.706 15.090 1.00 0.00 C ATOM 401 C HIS A 91 -7.678 3.204 14.972 1.00 0.00 C ATOM 402 O HIS A 91 -7.567 2.501 15.978 1.00 0.00 O ATOM 403 CB HIS A 91 -9.384 5.025 14.807 1.00 0.00 C ATOM 404 CG HIS A 91 -9.634 6.468 14.491 1.00 0.00 C ATOM 405 ND1 HIS A 91 -10.556 6.885 13.555 1.00 0.00 N ATOM 406 CD2 HIS A 91 -9.076 7.594 14.995 1.00 0.00 C ATOM 407 CE1 HIS A 91 -10.554 8.204 13.495 1.00 0.00 C ATOM 408 NE2 HIS A 91 -9.665 8.659 14.359 1.00 0.00 N ATOM 0 H HIS A 91 -7.455 5.604 13.252 1.00 0.00 H new ATOM 0 HA HIS A 91 -7.674 5.015 16.107 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -9.725 4.414 13.971 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -9.982 4.742 15.673 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -8.311 7.645 15.755 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -11.174 8.808 12.849 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -9.451 9.642 14.527 1.00 0.00 H new ATOM 416 N LEU A 92 -7.600 2.717 13.739 1.00 0.00 N ATOM 417 CA LEU A 92 -7.375 1.298 13.489 1.00 0.00 C ATOM 418 C LEU A 92 -6.152 0.798 14.250 1.00 0.00 C ATOM 419 O LEU A 92 -5.207 1.550 14.488 1.00 0.00 O ATOM 420 CB LEU A 92 -7.196 1.045 11.991 1.00 0.00 C ATOM 421 CG LEU A 92 -6.483 -0.253 11.610 1.00 0.00 C ATOM 422 CD1 LEU A 92 -6.980 -0.759 10.265 1.00 0.00 C ATOM 423 CD2 LEU A 92 -4.976 -0.044 11.579 1.00 0.00 C ATOM 0 H LEU A 92 -7.689 3.284 12.896 1.00 0.00 H new ATOM 0 HA LEU A 92 -8.249 0.750 13.842 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -8.180 1.046 11.523 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -6.639 1.880 11.566 1.00 0.00 H new ATOM 0 HG LEU A 92 -6.710 -1.005 12.365 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -6.462 -1.683 10.010 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -8.052 -0.948 10.321 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -6.783 -0.009 9.499 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -4.485 -0.978 11.306 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -4.730 0.723 10.845 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.632 0.273 12.564 1.00 0.00 H new ATOM 435 N GLN A 93 -6.176 -0.477 14.628 1.00 0.00 N ATOM 436 CA GLN A 93 -5.067 -1.077 15.361 1.00 0.00 C ATOM 437 C GLN A 93 -4.059 -1.705 14.404 1.00 0.00 C ATOM 438 O GLN A 93 -4.435 -2.299 13.394 1.00 0.00 O ATOM 439 CB GLN A 93 -5.587 -2.132 16.339 1.00 0.00 C ATOM 440 CG GLN A 93 -6.143 -1.546 17.627 1.00 0.00 C ATOM 441 CD GLN A 93 -5.055 -1.146 18.603 1.00 0.00 C ATOM 442 OE1 GLN A 93 -3.935 -0.823 18.205 1.00 0.00 O ATOM 443 NE2 GLN A 93 -5.378 -1.166 19.891 1.00 0.00 N ATOM 0 H GLN A 93 -6.950 -1.113 14.439 1.00 0.00 H new ATOM 0 HA GLN A 93 -4.565 -0.289 15.922 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -6.366 -2.717 15.850 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -4.778 -2.820 16.582 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -6.753 -0.674 17.391 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -6.800 -2.276 18.100 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -6.318 -1.440 20.177 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -4.686 -0.907 20.594 1.00 0.00 H new ATOM 452 N TRP A 94 -2.779 -1.570 14.730 1.00 0.00 N ATOM 453 CA TRP A 94 -1.716 -2.125 13.899 1.00 0.00 C ATOM 454 C TRP A 94 -1.977 -3.595 13.592 1.00 0.00 C ATOM 455 O TRP A 94 -1.938 -4.012 12.435 1.00 0.00 O ATOM 456 CB TRP A 94 -0.363 -1.968 14.594 1.00 0.00 C ATOM 457 CG TRP A 94 0.804 -2.154 13.671 1.00 0.00 C ATOM 458 CD1 TRP A 94 1.377 -3.337 13.303 1.00 0.00 C ATOM 459 CD2 TRP A 94 1.540 -1.123 13.003 1.00 0.00 C ATOM 460 NE1 TRP A 94 2.425 -3.104 12.445 1.00 0.00 N ATOM 461 CE2 TRP A 94 2.545 -1.755 12.245 1.00 0.00 C ATOM 462 CE3 TRP A 94 1.446 0.271 12.970 1.00 0.00 C ATOM 463 CZ2 TRP A 94 3.449 -1.039 11.465 1.00 0.00 C ATOM 464 CZ3 TRP A 94 2.345 0.980 12.195 1.00 0.00 C ATOM 465 CH2 TRP A 94 3.335 0.325 11.451 1.00 0.00 C ATOM 0 H TRP A 94 -2.452 -1.081 15.563 1.00 0.00 H new ATOM 0 HA TRP A 94 -1.699 -1.575 12.958 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -0.307 -0.977 15.044 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -0.294 -2.692 15.406 1.00 0.00 H new ATOM 0 HD1 TRP A 94 1.054 -4.312 13.637 1.00 0.00 H new ATOM 0 HE1 TRP A 94 3.018 -3.820 12.025 1.00 0.00 H new ATOM 0 HE3 TRP A 94 0.685 0.785 13.539 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 4.213 -1.542 10.891 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 2.283 2.058 12.163 1.00 0.00 H new ATOM 0 HH2 TRP A 94 4.022 0.908 10.855 1.00 0.00 H new ATOM 476 N GLU A 95 -2.243 -4.375 14.635 1.00 0.00 N ATOM 477 CA GLU A 95 -2.509 -5.800 14.475 1.00 0.00 C ATOM 478 C GLU A 95 -3.458 -6.048 13.306 1.00 0.00 C ATOM 479 O GLU A 95 -3.440 -7.114 12.692 1.00 0.00 O ATOM 480 CB GLU A 95 -3.103 -6.378 15.760 1.00 0.00 C ATOM 481 CG GLU A 95 -4.416 -5.731 16.169 1.00 0.00 C ATOM 482 CD GLU A 95 -5.298 -6.662 16.978 1.00 0.00 C ATOM 483 OE1 GLU A 95 -4.768 -7.362 17.865 1.00 0.00 O ATOM 484 OE2 GLU A 95 -6.521 -6.689 16.723 1.00 0.00 O ATOM 0 H GLU A 95 -2.280 -4.044 15.599 1.00 0.00 H new ATOM 0 HA GLU A 95 -1.563 -6.299 14.265 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.261 -7.448 15.628 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -2.382 -6.260 16.569 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -4.208 -4.834 16.753 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -4.953 -5.412 15.276 1.00 0.00 H new ATOM 491 N VAL A 96 -4.289 -5.054 13.005 1.00 0.00 N ATOM 492 CA VAL A 96 -5.246 -5.163 11.910 1.00 0.00 C ATOM 493 C VAL A 96 -4.575 -4.901 10.566 1.00 0.00 C ATOM 494 O VAL A 96 -4.788 -5.635 9.600 1.00 0.00 O ATOM 495 CB VAL A 96 -6.416 -4.177 12.088 1.00 0.00 C ATOM 496 CG1 VAL A 96 -7.392 -4.293 10.928 1.00 0.00 C ATOM 497 CG2 VAL A 96 -7.120 -4.420 13.414 1.00 0.00 C ATOM 0 H VAL A 96 -4.318 -4.165 13.504 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.633 -6.182 11.927 1.00 0.00 H new ATOM 0 HB VAL A 96 -6.016 -3.163 12.096 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -8.212 -3.589 11.071 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -6.877 -4.066 9.995 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -7.788 -5.308 10.886 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -7.944 -3.715 13.523 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.508 -5.438 13.439 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -6.413 -4.282 14.232 1.00 0.00 H new ATOM 507 N LEU A 97 -3.763 -3.851 10.511 1.00 0.00 N ATOM 508 CA LEU A 97 -3.060 -3.492 9.284 1.00 0.00 C ATOM 509 C LEU A 97 -2.257 -4.675 8.750 1.00 0.00 C ATOM 510 O LEU A 97 -2.403 -5.064 7.592 1.00 0.00 O ATOM 511 CB LEU A 97 -2.131 -2.303 9.535 1.00 0.00 C ATOM 512 CG LEU A 97 -1.466 -1.698 8.298 1.00 0.00 C ATOM 513 CD1 LEU A 97 -2.489 -0.961 7.448 1.00 0.00 C ATOM 514 CD2 LEU A 97 -0.335 -0.764 8.704 1.00 0.00 C ATOM 0 H LEU A 97 -3.575 -3.234 11.301 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.803 -3.214 8.537 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.702 -1.521 10.035 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.349 -2.618 10.226 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.046 -2.508 7.702 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.997 -0.537 6.572 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.265 -1.657 7.127 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.940 -0.160 8.034 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.127 -0.342 7.811 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.732 0.041 9.322 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.411 -1.321 9.270 1.00 0.00 H new ATOM 526 N ASP A 98 -1.413 -5.243 9.604 1.00 0.00 N ATOM 527 CA ASP A 98 -0.589 -6.384 9.219 1.00 0.00 C ATOM 528 C ASP A 98 -1.409 -7.407 8.439 1.00 0.00 C ATOM 529 O ASP A 98 -1.058 -7.772 7.317 1.00 0.00 O ATOM 530 CB ASP A 98 0.022 -7.039 10.459 1.00 0.00 C ATOM 531 CG ASP A 98 1.128 -8.016 10.111 1.00 0.00 C ATOM 532 OD1 ASP A 98 2.241 -7.557 9.779 1.00 0.00 O ATOM 533 OD2 ASP A 98 0.881 -9.238 10.171 1.00 0.00 O ATOM 0 H ASP A 98 -1.281 -4.933 10.567 1.00 0.00 H new ATOM 0 HA ASP A 98 0.213 -6.022 8.576 1.00 0.00 H new ATOM 0 HB2 ASP A 98 0.418 -6.266 11.117 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -0.759 -7.560 11.013 1.00 0.00 H new ATOM 538 N SER A 99 -2.501 -7.866 9.042 1.00 0.00 N ATOM 539 CA SER A 99 -3.368 -8.851 8.405 1.00 0.00 C ATOM 540 C SER A 99 -3.768 -8.398 7.005 1.00 0.00 C ATOM 541 O SER A 99 -3.693 -9.167 6.045 1.00 0.00 O ATOM 542 CB SER A 99 -4.618 -9.086 9.255 1.00 0.00 C ATOM 543 OG SER A 99 -4.319 -9.869 10.397 1.00 0.00 O ATOM 0 H SER A 99 -2.806 -7.572 9.970 1.00 0.00 H new ATOM 0 HA SER A 99 -2.814 -9.786 8.320 1.00 0.00 H new ATOM 0 HB2 SER A 99 -5.035 -8.128 9.566 1.00 0.00 H new ATOM 0 HB3 SER A 99 -5.380 -9.586 8.657 1.00 0.00 H new ATOM 0 HG SER A 99 -5.134 -10.003 10.924 1.00 0.00 H new ATOM 549 N LEU A 100 -4.195 -7.145 6.895 1.00 0.00 N ATOM 550 CA LEU A 100 -4.608 -6.587 5.612 1.00 0.00 C ATOM 551 C LEU A 100 -3.489 -6.704 4.582 1.00 0.00 C ATOM 552 O LEU A 100 -3.735 -7.008 3.414 1.00 0.00 O ATOM 553 CB LEU A 100 -5.013 -5.122 5.777 1.00 0.00 C ATOM 554 CG LEU A 100 -6.388 -4.872 6.399 1.00 0.00 C ATOM 555 CD1 LEU A 100 -6.500 -3.436 6.888 1.00 0.00 C ATOM 556 CD2 LEU A 100 -7.491 -5.184 5.398 1.00 0.00 C ATOM 0 H LEU A 100 -4.264 -6.496 7.679 1.00 0.00 H new ATOM 0 HA LEU A 100 -5.466 -7.157 5.256 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -4.262 -4.625 6.392 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.988 -4.646 4.797 1.00 0.00 H new ATOM 0 HG LEU A 100 -6.504 -5.536 7.256 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.485 -3.277 7.327 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -5.733 -3.246 7.639 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -6.363 -2.754 6.049 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.462 -5.000 5.858 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.378 -4.546 4.522 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.424 -6.229 5.097 1.00 0.00 H new ATOM 568 N LEU A 101 -2.259 -6.462 5.022 1.00 0.00 N ATOM 569 CA LEU A 101 -1.101 -6.542 4.139 1.00 0.00 C ATOM 570 C LEU A 101 -0.885 -7.971 3.651 1.00 0.00 C ATOM 571 O LEU A 101 -1.103 -8.278 2.479 1.00 0.00 O ATOM 572 CB LEU A 101 0.152 -6.043 4.861 1.00 0.00 C ATOM 573 CG LEU A 101 0.057 -4.649 5.483 1.00 0.00 C ATOM 574 CD1 LEU A 101 1.365 -4.280 6.167 1.00 0.00 C ATOM 575 CD2 LEU A 101 -0.303 -3.616 4.425 1.00 0.00 C ATOM 0 H LEU A 101 -2.038 -6.209 5.985 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.291 -5.907 3.274 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.401 -6.754 5.648 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.981 -6.048 4.153 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.732 -4.660 6.235 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.279 -3.285 6.604 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.582 -5.004 6.953 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.173 -4.286 5.435 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -0.366 -2.630 4.886 1.00 0.00 H new ATOM 0 HD22 LEU A 101 0.464 -3.606 3.650 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -1.265 -3.871 3.980 1.00 0.00 H new ATOM 587 N VAL A 102 -0.458 -8.842 4.560 1.00 0.00 N ATOM 588 CA VAL A 102 -0.217 -10.240 4.223 1.00 0.00 C ATOM 589 C VAL A 102 -1.373 -10.820 3.416 1.00 0.00 C ATOM 590 O VAL A 102 -1.168 -11.631 2.514 1.00 0.00 O ATOM 591 CB VAL A 102 -0.010 -11.094 5.489 1.00 0.00 C ATOM 592 CG1 VAL A 102 1.274 -10.693 6.199 1.00 0.00 C ATOM 593 CG2 VAL A 102 -1.206 -10.966 6.419 1.00 0.00 C ATOM 0 H VAL A 102 -0.272 -8.604 5.534 1.00 0.00 H new ATOM 0 HA VAL A 102 0.691 -10.268 3.621 1.00 0.00 H new ATOM 0 HB VAL A 102 0.079 -12.139 5.191 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.404 -11.307 7.091 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.121 -10.842 5.530 1.00 0.00 H new ATOM 0 HG13 VAL A 102 1.218 -9.643 6.486 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -1.043 -11.576 7.308 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -1.329 -9.923 6.712 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -2.105 -11.307 5.905 1.00 0.00 H new ATOM 603 N GLN A 103 -2.589 -10.396 3.747 1.00 0.00 N ATOM 604 CA GLN A 103 -3.779 -10.873 3.052 1.00 0.00 C ATOM 605 C GLN A 103 -3.591 -10.804 1.541 1.00 0.00 C ATOM 606 O GLN A 103 -3.970 -11.724 0.815 1.00 0.00 O ATOM 607 CB GLN A 103 -5.000 -10.050 3.464 1.00 0.00 C ATOM 608 CG GLN A 103 -5.733 -10.611 4.673 1.00 0.00 C ATOM 609 CD GLN A 103 -6.591 -11.813 4.328 1.00 0.00 C ATOM 610 OE1 GLN A 103 -6.237 -12.951 4.638 1.00 0.00 O ATOM 611 NE2 GLN A 103 -7.725 -11.566 3.685 1.00 0.00 N ATOM 0 H GLN A 103 -2.776 -9.724 4.491 1.00 0.00 H new ATOM 0 HA GLN A 103 -3.940 -11.914 3.332 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -4.683 -9.030 3.683 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -5.692 -9.996 2.623 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -5.007 -10.894 5.435 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -6.361 -9.833 5.106 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -7.978 -10.607 3.448 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -8.343 -12.335 3.428 1.00 0.00 H new ATOM 620 N TYR A 104 -3.004 -9.709 1.072 1.00 0.00 N ATOM 621 CA TYR A 104 -2.768 -9.519 -0.354 1.00 0.00 C ATOM 622 C TYR A 104 -1.681 -10.463 -0.857 1.00 0.00 C ATOM 623 O TYR A 104 -1.876 -11.192 -1.829 1.00 0.00 O ATOM 624 CB TYR A 104 -2.372 -8.069 -0.638 1.00 0.00 C ATOM 625 CG TYR A 104 -3.486 -7.077 -0.392 1.00 0.00 C ATOM 626 CD1 TYR A 104 -4.513 -6.914 -1.314 1.00 0.00 C ATOM 627 CD2 TYR A 104 -3.512 -6.304 0.762 1.00 0.00 C ATOM 628 CE1 TYR A 104 -5.533 -6.008 -1.093 1.00 0.00 C ATOM 629 CE2 TYR A 104 -4.529 -5.397 0.991 1.00 0.00 C ATOM 630 CZ TYR A 104 -5.536 -5.253 0.061 1.00 0.00 C ATOM 631 OH TYR A 104 -6.551 -4.351 0.285 1.00 0.00 O ATOM 0 H TYR A 104 -2.683 -8.939 1.659 1.00 0.00 H new ATOM 0 HA TYR A 104 -3.694 -9.746 -0.883 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -1.518 -7.806 -0.014 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -2.046 -7.987 -1.675 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -4.514 -7.505 -2.218 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -2.724 -6.414 1.492 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -6.323 -5.892 -1.820 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -4.535 -4.804 1.894 1.00 0.00 H new ATOM 0 HH TYR A 104 -6.405 -3.901 1.143 1.00 0.00 H new ATOM 641 N GLY A 105 -0.532 -10.443 -0.187 1.00 0.00 N ATOM 642 CA GLY A 105 0.570 -11.302 -0.579 1.00 0.00 C ATOM 643 C GLY A 105 1.560 -11.525 0.547 1.00 0.00 C ATOM 644 O GLY A 105 1.214 -11.401 1.721 1.00 0.00 O ATOM 0 H GLY A 105 -0.345 -9.847 0.620 1.00 0.00 H new ATOM 0 HA2 GLY A 105 0.177 -12.264 -0.909 1.00 0.00 H new ATOM 0 HA3 GLY A 105 1.087 -10.859 -1.431 1.00 0.00 H new ATOM 648 N VAL A 106 2.796 -11.857 0.189 1.00 0.00 N ATOM 649 CA VAL A 106 3.840 -12.099 1.178 1.00 0.00 C ATOM 650 C VAL A 106 4.679 -10.847 1.409 1.00 0.00 C ATOM 651 O VAL A 106 5.678 -10.621 0.727 1.00 0.00 O ATOM 652 CB VAL A 106 4.766 -13.252 0.746 1.00 0.00 C ATOM 653 CG1 VAL A 106 5.919 -13.406 1.727 1.00 0.00 C ATOM 654 CG2 VAL A 106 3.981 -14.549 0.625 1.00 0.00 C ATOM 0 H VAL A 106 3.099 -11.965 -0.779 1.00 0.00 H new ATOM 0 HA VAL A 106 3.339 -12.374 2.106 1.00 0.00 H new ATOM 0 HB VAL A 106 5.182 -13.014 -0.233 1.00 0.00 H new ATOM 0 HG11 VAL A 106 6.563 -14.225 1.406 1.00 0.00 H new ATOM 0 HG12 VAL A 106 6.496 -12.482 1.758 1.00 0.00 H new ATOM 0 HG13 VAL A 106 5.525 -13.622 2.720 1.00 0.00 H new ATOM 0 HG21 VAL A 106 4.651 -15.353 0.319 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.535 -14.796 1.588 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.194 -14.430 -0.119 1.00 0.00 H new ATOM 664 N VAL A 107 4.266 -10.035 2.377 1.00 0.00 N ATOM 665 CA VAL A 107 4.980 -8.806 2.701 1.00 0.00 C ATOM 666 C VAL A 107 6.340 -9.107 3.319 1.00 0.00 C ATOM 667 O VAL A 107 6.427 -9.563 4.459 1.00 0.00 O ATOM 668 CB VAL A 107 4.170 -7.926 3.672 1.00 0.00 C ATOM 669 CG1 VAL A 107 3.837 -8.696 4.940 1.00 0.00 C ATOM 670 CG2 VAL A 107 4.934 -6.651 3.998 1.00 0.00 C ATOM 0 H VAL A 107 3.440 -10.206 2.951 1.00 0.00 H new ATOM 0 HA VAL A 107 5.122 -8.266 1.765 1.00 0.00 H new ATOM 0 HB VAL A 107 3.234 -7.648 3.188 1.00 0.00 H new ATOM 0 HG11 VAL A 107 3.265 -8.058 5.613 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.247 -9.577 4.686 1.00 0.00 H new ATOM 0 HG13 VAL A 107 4.760 -9.006 5.430 1.00 0.00 H new ATOM 0 HG21 VAL A 107 4.348 -6.041 4.685 1.00 0.00 H new ATOM 0 HG22 VAL A 107 5.887 -6.906 4.462 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.116 -6.091 3.081 1.00 0.00 H new ATOM 680 N GLU A 108 7.400 -8.848 2.559 1.00 0.00 N ATOM 681 CA GLU A 108 8.757 -9.092 3.034 1.00 0.00 C ATOM 682 C GLU A 108 9.014 -8.360 4.347 1.00 0.00 C ATOM 683 O GLU A 108 9.526 -8.940 5.305 1.00 0.00 O ATOM 684 CB GLU A 108 9.776 -8.649 1.982 1.00 0.00 C ATOM 685 CG GLU A 108 11.074 -9.438 2.022 1.00 0.00 C ATOM 686 CD GLU A 108 11.800 -9.300 3.346 1.00 0.00 C ATOM 687 OE1 GLU A 108 12.611 -8.361 3.484 1.00 0.00 O ATOM 688 OE2 GLU A 108 11.555 -10.131 4.246 1.00 0.00 O ATOM 0 H GLU A 108 7.345 -8.470 1.613 1.00 0.00 H new ATOM 0 HA GLU A 108 8.867 -10.162 3.208 1.00 0.00 H new ATOM 0 HB2 GLU A 108 9.330 -8.749 0.992 1.00 0.00 H new ATOM 0 HB3 GLU A 108 9.999 -7.592 2.126 1.00 0.00 H new ATOM 0 HG2 GLU A 108 10.861 -10.491 1.837 1.00 0.00 H new ATOM 0 HG3 GLU A 108 11.726 -9.099 1.217 1.00 0.00 H new ATOM 695 N SER A 109 8.657 -7.080 4.384 1.00 0.00 N ATOM 696 CA SER A 109 8.852 -6.266 5.578 1.00 0.00 C ATOM 697 C SER A 109 7.959 -5.029 5.545 1.00 0.00 C ATOM 698 O SER A 109 7.657 -4.497 4.476 1.00 0.00 O ATOM 699 CB SER A 109 10.318 -5.846 5.700 1.00 0.00 C ATOM 700 OG SER A 109 10.552 -5.155 6.915 1.00 0.00 O ATOM 0 H SER A 109 8.231 -6.584 3.601 1.00 0.00 H new ATOM 0 HA SER A 109 8.579 -6.867 6.445 1.00 0.00 H new ATOM 0 HB2 SER A 109 10.957 -6.728 5.651 1.00 0.00 H new ATOM 0 HB3 SER A 109 10.588 -5.209 4.858 1.00 0.00 H new ATOM 0 HG SER A 109 11.496 -4.899 6.969 1.00 0.00 H new ATOM 706 N CYS A 110 7.540 -4.579 6.722 1.00 0.00 N ATOM 707 CA CYS A 110 6.680 -3.405 6.829 1.00 0.00 C ATOM 708 C CYS A 110 7.378 -2.288 7.596 1.00 0.00 C ATOM 709 O CYS A 110 7.385 -2.277 8.827 1.00 0.00 O ATOM 710 CB CYS A 110 5.366 -3.772 7.521 1.00 0.00 C ATOM 711 SG CYS A 110 4.233 -2.380 7.739 1.00 0.00 S ATOM 0 H CYS A 110 7.781 -5.008 7.615 1.00 0.00 H new ATOM 0 HA CYS A 110 6.465 -3.049 5.821 1.00 0.00 H new ATOM 0 HB2 CYS A 110 4.866 -4.546 6.940 1.00 0.00 H new ATOM 0 HB3 CYS A 110 5.590 -4.201 8.498 1.00 0.00 H new ATOM 0 HG CYS A 110 3.151 -2.790 8.331 1.00 0.00 H new ATOM 717 N GLU A 111 7.966 -1.349 6.861 1.00 0.00 N ATOM 718 CA GLU A 111 8.670 -0.229 7.473 1.00 0.00 C ATOM 719 C GLU A 111 7.713 0.927 7.752 1.00 0.00 C ATOM 720 O GLU A 111 6.667 1.047 7.116 1.00 0.00 O ATOM 721 CB GLU A 111 9.808 0.244 6.567 1.00 0.00 C ATOM 722 CG GLU A 111 10.809 1.148 7.267 1.00 0.00 C ATOM 723 CD GLU A 111 11.749 0.382 8.178 1.00 0.00 C ATOM 724 OE1 GLU A 111 12.008 -0.807 7.898 1.00 0.00 O ATOM 725 OE2 GLU A 111 12.224 0.971 9.171 1.00 0.00 O ATOM 0 H GLU A 111 7.969 -1.342 5.841 1.00 0.00 H new ATOM 0 HA GLU A 111 9.088 -0.570 8.420 1.00 0.00 H new ATOM 0 HB2 GLU A 111 10.332 -0.626 6.172 1.00 0.00 H new ATOM 0 HB3 GLU A 111 9.385 0.776 5.715 1.00 0.00 H new ATOM 0 HG2 GLU A 111 11.392 1.686 6.519 1.00 0.00 H new ATOM 0 HG3 GLU A 111 10.272 1.895 7.851 1.00 0.00 H new ATOM 732 N GLN A 112 8.081 1.775 8.707 1.00 0.00 N ATOM 733 CA GLN A 112 7.256 2.920 9.071 1.00 0.00 C ATOM 734 C GLN A 112 7.697 4.170 8.318 1.00 0.00 C ATOM 735 O GLN A 112 8.849 4.281 7.898 1.00 0.00 O ATOM 736 CB GLN A 112 7.327 3.168 10.579 1.00 0.00 C ATOM 737 CG GLN A 112 6.318 4.191 11.076 1.00 0.00 C ATOM 738 CD GLN A 112 5.877 3.930 12.503 1.00 0.00 C ATOM 739 OE1 GLN A 112 6.694 3.627 13.372 1.00 0.00 O ATOM 740 NE2 GLN A 112 4.577 4.047 12.752 1.00 0.00 N ATOM 0 H GLN A 112 8.945 1.690 9.242 1.00 0.00 H new ATOM 0 HA GLN A 112 6.226 2.696 8.795 1.00 0.00 H new ATOM 0 HB2 GLN A 112 7.164 2.226 11.102 1.00 0.00 H new ATOM 0 HB3 GLN A 112 8.331 3.506 10.836 1.00 0.00 H new ATOM 0 HG2 GLN A 112 6.755 5.188 11.011 1.00 0.00 H new ATOM 0 HG3 GLN A 112 5.446 4.182 10.423 1.00 0.00 H new ATOM 0 HE21 GLN A 112 3.935 4.300 12.001 1.00 0.00 H new ATOM 0 HE22 GLN A 112 4.221 3.883 13.694 1.00 0.00 H new ATOM 749 N VAL A 113 6.772 5.110 8.148 1.00 0.00 N ATOM 750 CA VAL A 113 7.065 6.353 7.445 1.00 0.00 C ATOM 751 C VAL A 113 6.179 7.489 7.944 1.00 0.00 C ATOM 752 O VAL A 113 5.045 7.266 8.365 1.00 0.00 O ATOM 753 CB VAL A 113 6.873 6.197 5.925 1.00 0.00 C ATOM 754 CG1 VAL A 113 7.280 7.472 5.201 1.00 0.00 C ATOM 755 CG2 VAL A 113 7.665 5.006 5.408 1.00 0.00 C ATOM 0 H VAL A 113 5.813 5.034 8.488 1.00 0.00 H new ATOM 0 HA VAL A 113 8.108 6.593 7.649 1.00 0.00 H new ATOM 0 HB VAL A 113 5.817 6.016 5.727 1.00 0.00 H new ATOM 0 HG11 VAL A 113 7.137 7.343 4.128 1.00 0.00 H new ATOM 0 HG12 VAL A 113 6.665 8.301 5.551 1.00 0.00 H new ATOM 0 HG13 VAL A 113 8.329 7.687 5.404 1.00 0.00 H new ATOM 0 HG21 VAL A 113 7.518 4.911 4.332 1.00 0.00 H new ATOM 0 HG22 VAL A 113 8.724 5.155 5.618 1.00 0.00 H new ATOM 0 HG23 VAL A 113 7.321 4.098 5.903 1.00 0.00 H new ATOM 765 N ASN A 114 6.705 8.709 7.893 1.00 0.00 N ATOM 766 CA ASN A 114 5.961 9.881 8.341 1.00 0.00 C ATOM 767 C ASN A 114 5.954 10.963 7.266 1.00 0.00 C ATOM 768 O ASN A 114 6.960 11.638 7.041 1.00 0.00 O ATOM 769 CB ASN A 114 6.568 10.433 9.632 1.00 0.00 C ATOM 770 CG ASN A 114 8.054 10.152 9.740 1.00 0.00 C ATOM 771 OD1 ASN A 114 8.789 10.253 8.757 1.00 0.00 O ATOM 772 ND2 ASN A 114 8.504 9.797 10.937 1.00 0.00 N ATOM 0 H ASN A 114 7.643 8.912 7.546 1.00 0.00 H new ATOM 0 HA ASN A 114 4.932 9.577 8.533 1.00 0.00 H new ATOM 0 HB2 ASN A 114 6.401 11.509 9.678 1.00 0.00 H new ATOM 0 HB3 ASN A 114 6.055 9.994 10.488 1.00 0.00 H new ATOM 0 HD21 ASN A 114 9.495 9.595 11.070 1.00 0.00 H new ATOM 0 HD22 ASN A 114 7.859 9.726 11.724 1.00 0.00 H new ATOM 779 N THR A 115 4.813 11.125 6.603 1.00 0.00 N ATOM 780 CA THR A 115 4.674 12.124 5.552 1.00 0.00 C ATOM 781 C THR A 115 4.194 13.455 6.118 1.00 0.00 C ATOM 782 O THR A 115 3.591 14.261 5.409 1.00 0.00 O ATOM 783 CB THR A 115 3.692 11.659 4.461 1.00 0.00 C ATOM 784 OG1 THR A 115 3.816 12.492 3.302 1.00 0.00 O ATOM 785 CG2 THR A 115 2.259 11.700 4.970 1.00 0.00 C ATOM 0 H THR A 115 3.971 10.576 6.776 1.00 0.00 H new ATOM 0 HA THR A 115 5.661 12.256 5.109 1.00 0.00 H new ATOM 0 HB THR A 115 3.938 10.631 4.196 1.00 0.00 H new ATOM 0 HG1 THR A 115 3.722 13.432 3.563 1.00 0.00 H new ATOM 0 HG21 THR A 115 1.583 11.367 4.182 1.00 0.00 H new ATOM 0 HG22 THR A 115 2.161 11.043 5.834 1.00 0.00 H new ATOM 0 HG23 THR A 115 2.005 12.720 5.259 1.00 0.00 H new ATOM 793 N ASP A 116 4.464 13.680 7.399 1.00 0.00 N ATOM 794 CA ASP A 116 4.061 14.915 8.061 1.00 0.00 C ATOM 795 C ASP A 116 2.560 15.144 7.916 1.00 0.00 C ATOM 796 O ASP A 116 2.113 16.266 7.681 1.00 0.00 O ATOM 797 CB ASP A 116 4.829 16.104 7.481 1.00 0.00 C ATOM 798 CG ASP A 116 6.162 16.323 8.169 1.00 0.00 C ATOM 799 OD1 ASP A 116 6.161 16.687 9.364 1.00 0.00 O ATOM 800 OD2 ASP A 116 7.206 16.131 7.512 1.00 0.00 O ATOM 0 H ASP A 116 4.961 13.023 8.000 1.00 0.00 H new ATOM 0 HA ASP A 116 4.296 14.823 9.121 1.00 0.00 H new ATOM 0 HB2 ASP A 116 4.995 15.941 6.416 1.00 0.00 H new ATOM 0 HB3 ASP A 116 4.223 17.005 7.574 1.00 0.00 H new ATOM 805 N SER A 117 1.787 14.072 8.057 1.00 0.00 N ATOM 806 CA SER A 117 0.336 14.155 7.937 1.00 0.00 C ATOM 807 C SER A 117 -0.347 13.463 9.113 1.00 0.00 C ATOM 808 O SER A 117 0.235 12.590 9.755 1.00 0.00 O ATOM 809 CB SER A 117 -0.125 13.523 6.622 1.00 0.00 C ATOM 810 OG SER A 117 -1.509 13.740 6.409 1.00 0.00 O ATOM 0 H SER A 117 2.141 13.136 8.254 1.00 0.00 H new ATOM 0 HA SER A 117 0.055 15.208 7.944 1.00 0.00 H new ATOM 0 HB2 SER A 117 0.444 13.944 5.793 1.00 0.00 H new ATOM 0 HB3 SER A 117 0.080 12.453 6.638 1.00 0.00 H new ATOM 0 HG SER A 117 -1.778 13.328 5.562 1.00 0.00 H new ATOM 816 N GLU A 118 -1.585 13.862 9.388 1.00 0.00 N ATOM 817 CA GLU A 118 -2.347 13.281 10.487 1.00 0.00 C ATOM 818 C GLU A 118 -2.419 11.763 10.357 1.00 0.00 C ATOM 819 O GLU A 118 -1.937 11.030 11.223 1.00 0.00 O ATOM 820 CB GLU A 118 -3.760 13.868 10.524 1.00 0.00 C ATOM 821 CG GLU A 118 -3.803 15.324 10.955 1.00 0.00 C ATOM 822 CD GLU A 118 -5.179 15.941 10.791 1.00 0.00 C ATOM 823 OE1 GLU A 118 -6.170 15.299 11.198 1.00 0.00 O ATOM 824 OE2 GLU A 118 -5.265 17.066 10.255 1.00 0.00 O ATOM 0 H GLU A 118 -2.081 14.584 8.866 1.00 0.00 H new ATOM 0 HA GLU A 118 -1.835 13.525 11.418 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -4.208 13.777 9.534 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -4.372 13.278 11.206 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -3.497 15.399 11.999 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -3.081 15.894 10.370 1.00 0.00 H new ATOM 831 N THR A 119 -3.024 11.295 9.270 1.00 0.00 N ATOM 832 CA THR A 119 -3.161 9.865 9.027 1.00 0.00 C ATOM 833 C THR A 119 -1.814 9.158 9.131 1.00 0.00 C ATOM 834 O THR A 119 -0.764 9.773 8.949 1.00 0.00 O ATOM 835 CB THR A 119 -3.768 9.587 7.638 1.00 0.00 C ATOM 836 OG1 THR A 119 -2.949 10.172 6.620 1.00 0.00 O ATOM 837 CG2 THR A 119 -5.180 10.144 7.544 1.00 0.00 C ATOM 0 H THR A 119 -3.427 11.886 8.543 1.00 0.00 H new ATOM 0 HA THR A 119 -3.832 9.477 9.793 1.00 0.00 H new ATOM 0 HB THR A 119 -3.810 8.508 7.493 1.00 0.00 H new ATOM 0 HG1 THR A 119 -3.509 10.701 6.014 1.00 0.00 H new ATOM 0 HG21 THR A 119 -5.588 9.936 6.555 1.00 0.00 H new ATOM 0 HG22 THR A 119 -5.808 9.675 8.302 1.00 0.00 H new ATOM 0 HG23 THR A 119 -5.158 11.221 7.708 1.00 0.00 H new ATOM 845 N ALA A 120 -1.852 7.863 9.425 1.00 0.00 N ATOM 846 CA ALA A 120 -0.634 7.072 9.550 1.00 0.00 C ATOM 847 C ALA A 120 -0.065 6.718 8.180 1.00 0.00 C ATOM 848 O ALA A 120 -0.810 6.526 7.219 1.00 0.00 O ATOM 849 CB ALA A 120 -0.906 5.808 10.353 1.00 0.00 C ATOM 0 H ALA A 120 -2.713 7.339 9.581 1.00 0.00 H new ATOM 0 HA ALA A 120 0.107 7.673 10.077 1.00 0.00 H new ATOM 0 HB1 ALA A 120 0.012 5.227 10.439 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -1.259 6.078 11.348 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -1.667 5.213 9.848 1.00 0.00 H new ATOM 855 N VAL A 121 1.259 6.634 8.098 1.00 0.00 N ATOM 856 CA VAL A 121 1.927 6.304 6.845 1.00 0.00 C ATOM 857 C VAL A 121 2.962 5.202 7.049 1.00 0.00 C ATOM 858 O VAL A 121 3.784 5.269 7.963 1.00 0.00 O ATOM 859 CB VAL A 121 2.620 7.537 6.236 1.00 0.00 C ATOM 860 CG1 VAL A 121 3.183 7.209 4.862 1.00 0.00 C ATOM 861 CG2 VAL A 121 1.651 8.707 6.159 1.00 0.00 C ATOM 0 H VAL A 121 1.890 6.790 8.884 1.00 0.00 H new ATOM 0 HA VAL A 121 1.157 5.954 6.158 1.00 0.00 H new ATOM 0 HB VAL A 121 3.450 7.823 6.883 1.00 0.00 H new ATOM 0 HG11 VAL A 121 3.669 8.092 4.448 1.00 0.00 H new ATOM 0 HG12 VAL A 121 3.911 6.402 4.950 1.00 0.00 H new ATOM 0 HG13 VAL A 121 2.374 6.897 4.202 1.00 0.00 H new ATOM 0 HG21 VAL A 121 2.157 9.570 5.726 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.800 8.434 5.535 1.00 0.00 H new ATOM 0 HG23 VAL A 121 1.301 8.956 7.161 1.00 0.00 H new ATOM 871 N VAL A 122 2.916 4.189 6.190 1.00 0.00 N ATOM 872 CA VAL A 122 3.850 3.073 6.274 1.00 0.00 C ATOM 873 C VAL A 122 4.268 2.600 4.886 1.00 0.00 C ATOM 874 O VAL A 122 3.588 2.870 3.897 1.00 0.00 O ATOM 875 CB VAL A 122 3.241 1.887 7.046 1.00 0.00 C ATOM 876 CG1 VAL A 122 3.107 2.224 8.523 1.00 0.00 C ATOM 877 CG2 VAL A 122 1.894 1.502 6.454 1.00 0.00 C ATOM 0 H VAL A 122 2.242 4.118 5.428 1.00 0.00 H new ATOM 0 HA VAL A 122 4.727 3.435 6.811 1.00 0.00 H new ATOM 0 HB VAL A 122 3.911 1.032 6.952 1.00 0.00 H new ATOM 0 HG11 VAL A 122 2.675 1.375 9.052 1.00 0.00 H new ATOM 0 HG12 VAL A 122 4.091 2.447 8.936 1.00 0.00 H new ATOM 0 HG13 VAL A 122 2.459 3.092 8.641 1.00 0.00 H new ATOM 0 HG21 VAL A 122 1.478 0.663 7.011 1.00 0.00 H new ATOM 0 HG22 VAL A 122 1.213 2.351 6.515 1.00 0.00 H new ATOM 0 HG23 VAL A 122 2.024 1.216 5.410 1.00 0.00 H new ATOM 887 N ASN A 123 5.391 1.892 4.821 1.00 0.00 N ATOM 888 CA ASN A 123 5.900 1.381 3.554 1.00 0.00 C ATOM 889 C ASN A 123 5.852 -0.144 3.523 1.00 0.00 C ATOM 890 O ASN A 123 6.401 -0.811 4.400 1.00 0.00 O ATOM 891 CB ASN A 123 7.334 1.862 3.325 1.00 0.00 C ATOM 892 CG ASN A 123 7.388 3.225 2.662 1.00 0.00 C ATOM 893 OD1 ASN A 123 6.383 3.717 2.147 1.00 0.00 O ATOM 894 ND2 ASN A 123 8.564 3.841 2.670 1.00 0.00 N ATOM 0 H ASN A 123 5.966 1.659 5.631 1.00 0.00 H new ATOM 0 HA ASN A 123 5.264 1.763 2.755 1.00 0.00 H new ATOM 0 HB2 ASN A 123 7.857 1.905 4.280 1.00 0.00 H new ATOM 0 HB3 ASN A 123 7.862 1.138 2.705 1.00 0.00 H new ATOM 0 HD21 ASN A 123 8.661 4.760 2.238 1.00 0.00 H new ATOM 0 HD22 ASN A 123 9.370 3.396 3.108 1.00 0.00 H new ATOM 901 N VAL A 124 5.192 -0.690 2.507 1.00 0.00 N ATOM 902 CA VAL A 124 5.074 -2.136 2.361 1.00 0.00 C ATOM 903 C VAL A 124 6.089 -2.671 1.358 1.00 0.00 C ATOM 904 O VAL A 124 6.269 -2.109 0.277 1.00 0.00 O ATOM 905 CB VAL A 124 3.658 -2.540 1.906 1.00 0.00 C ATOM 906 CG1 VAL A 124 3.559 -4.050 1.749 1.00 0.00 C ATOM 907 CG2 VAL A 124 2.617 -2.029 2.891 1.00 0.00 C ATOM 0 H VAL A 124 4.731 -0.153 1.773 1.00 0.00 H new ATOM 0 HA VAL A 124 5.271 -2.571 3.341 1.00 0.00 H new ATOM 0 HB VAL A 124 3.462 -2.084 0.936 1.00 0.00 H new ATOM 0 HG11 VAL A 124 2.552 -4.317 1.427 1.00 0.00 H new ATOM 0 HG12 VAL A 124 4.279 -4.386 1.003 1.00 0.00 H new ATOM 0 HG13 VAL A 124 3.774 -4.530 2.704 1.00 0.00 H new ATOM 0 HG21 VAL A 124 1.623 -2.323 2.555 1.00 0.00 H new ATOM 0 HG22 VAL A 124 2.808 -2.455 3.876 1.00 0.00 H new ATOM 0 HG23 VAL A 124 2.674 -0.942 2.949 1.00 0.00 H new ATOM 917 N THR A 125 6.753 -3.764 1.723 1.00 0.00 N ATOM 918 CA THR A 125 7.752 -4.377 0.856 1.00 0.00 C ATOM 919 C THR A 125 7.441 -5.849 0.614 1.00 0.00 C ATOM 920 O THR A 125 7.779 -6.707 1.429 1.00 0.00 O ATOM 921 CB THR A 125 9.166 -4.254 1.454 1.00 0.00 C ATOM 922 OG1 THR A 125 9.293 -3.016 2.163 1.00 0.00 O ATOM 923 CG2 THR A 125 10.224 -4.331 0.364 1.00 0.00 C ATOM 0 H THR A 125 6.617 -4.243 2.613 1.00 0.00 H new ATOM 0 HA THR A 125 7.719 -3.841 -0.093 1.00 0.00 H new ATOM 0 HB THR A 125 9.317 -5.084 2.144 1.00 0.00 H new ATOM 0 HG1 THR A 125 8.867 -3.097 3.042 1.00 0.00 H new ATOM 0 HG21 THR A 125 11.214 -4.242 0.811 1.00 0.00 H new ATOM 0 HG22 THR A 125 10.144 -5.287 -0.153 1.00 0.00 H new ATOM 0 HG23 THR A 125 10.073 -3.519 -0.348 1.00 0.00 H new ATOM 931 N TYR A 126 6.796 -6.135 -0.512 1.00 0.00 N ATOM 932 CA TYR A 126 6.438 -7.505 -0.861 1.00 0.00 C ATOM 933 C TYR A 126 7.608 -8.220 -1.530 1.00 0.00 C ATOM 934 O TYR A 126 8.571 -7.588 -1.964 1.00 0.00 O ATOM 935 CB TYR A 126 5.221 -7.516 -1.787 1.00 0.00 C ATOM 936 CG TYR A 126 3.924 -7.180 -1.088 1.00 0.00 C ATOM 937 CD1 TYR A 126 3.404 -8.017 -0.108 1.00 0.00 C ATOM 938 CD2 TYR A 126 3.219 -6.026 -1.406 1.00 0.00 C ATOM 939 CE1 TYR A 126 2.218 -7.714 0.534 1.00 0.00 C ATOM 940 CE2 TYR A 126 2.033 -5.715 -0.768 1.00 0.00 C ATOM 941 CZ TYR A 126 1.537 -6.562 0.200 1.00 0.00 C ATOM 942 OH TYR A 126 0.356 -6.257 0.838 1.00 0.00 O ATOM 0 H TYR A 126 6.511 -5.437 -1.198 1.00 0.00 H new ATOM 0 HA TYR A 126 6.190 -8.035 0.059 1.00 0.00 H new ATOM 0 HB2 TYR A 126 5.384 -6.803 -2.595 1.00 0.00 H new ATOM 0 HB3 TYR A 126 5.132 -8.501 -2.245 1.00 0.00 H new ATOM 0 HD1 TYR A 126 3.935 -8.919 0.156 1.00 0.00 H new ATOM 0 HD2 TYR A 126 3.604 -5.361 -2.165 1.00 0.00 H new ATOM 0 HE1 TYR A 126 1.827 -8.375 1.293 1.00 0.00 H new ATOM 0 HE2 TYR A 126 1.498 -4.813 -1.026 1.00 0.00 H new ATOM 0 HH TYR A 126 0.041 -7.041 1.335 1.00 0.00 H new ATOM 952 N SER A 127 7.516 -9.544 -1.610 1.00 0.00 N ATOM 953 CA SER A 127 8.567 -10.347 -2.223 1.00 0.00 C ATOM 954 C SER A 127 8.387 -10.414 -3.737 1.00 0.00 C ATOM 955 O SER A 127 9.345 -10.257 -4.494 1.00 0.00 O ATOM 956 CB SER A 127 8.567 -11.760 -1.636 1.00 0.00 C ATOM 957 OG SER A 127 9.712 -12.485 -2.050 1.00 0.00 O ATOM 0 H SER A 127 6.725 -10.083 -1.258 1.00 0.00 H new ATOM 0 HA SER A 127 9.524 -9.872 -2.009 1.00 0.00 H new ATOM 0 HB2 SER A 127 8.542 -11.705 -0.548 1.00 0.00 H new ATOM 0 HB3 SER A 127 7.666 -12.287 -1.950 1.00 0.00 H new ATOM 0 HG SER A 127 9.689 -13.384 -1.660 1.00 0.00 H new ATOM 963 N SER A 128 7.152 -10.647 -4.170 1.00 0.00 N ATOM 964 CA SER A 128 6.846 -10.738 -5.592 1.00 0.00 C ATOM 965 C SER A 128 6.190 -9.453 -6.090 1.00 0.00 C ATOM 966 O SER A 128 5.585 -8.711 -5.317 1.00 0.00 O ATOM 967 CB SER A 128 5.926 -11.931 -5.862 1.00 0.00 C ATOM 968 OG SER A 128 6.497 -13.134 -5.379 1.00 0.00 O ATOM 0 H SER A 128 6.348 -10.776 -3.556 1.00 0.00 H new ATOM 0 HA SER A 128 7.782 -10.880 -6.132 1.00 0.00 H new ATOM 0 HB2 SER A 128 4.961 -11.765 -5.384 1.00 0.00 H new ATOM 0 HB3 SER A 128 5.741 -12.017 -6.933 1.00 0.00 H new ATOM 0 HG SER A 128 5.890 -13.881 -5.562 1.00 0.00 H new ATOM 974 N LYS A 129 6.316 -9.197 -7.388 1.00 0.00 N ATOM 975 CA LYS A 129 5.737 -8.004 -7.993 1.00 0.00 C ATOM 976 C LYS A 129 4.223 -8.140 -8.123 1.00 0.00 C ATOM 977 O LYS A 129 3.475 -7.232 -7.762 1.00 0.00 O ATOM 978 CB LYS A 129 6.357 -7.751 -9.368 1.00 0.00 C ATOM 979 CG LYS A 129 5.649 -6.669 -10.166 1.00 0.00 C ATOM 980 CD LYS A 129 6.195 -5.289 -9.841 1.00 0.00 C ATOM 981 CE LYS A 129 5.427 -4.640 -8.700 1.00 0.00 C ATOM 982 NZ LYS A 129 4.022 -4.329 -9.083 1.00 0.00 N ATOM 0 H LYS A 129 6.815 -9.801 -8.041 1.00 0.00 H new ATOM 0 HA LYS A 129 5.954 -7.156 -7.343 1.00 0.00 H new ATOM 0 HB2 LYS A 129 7.402 -7.470 -9.240 1.00 0.00 H new ATOM 0 HB3 LYS A 129 6.344 -8.679 -9.939 1.00 0.00 H new ATOM 0 HG2 LYS A 129 5.766 -6.866 -11.232 1.00 0.00 H new ATOM 0 HG3 LYS A 129 4.581 -6.698 -9.952 1.00 0.00 H new ATOM 0 HD2 LYS A 129 7.249 -5.367 -9.573 1.00 0.00 H new ATOM 0 HD3 LYS A 129 6.137 -4.656 -10.726 1.00 0.00 H new ATOM 0 HE2 LYS A 129 5.429 -5.305 -7.836 1.00 0.00 H new ATOM 0 HE3 LYS A 129 5.932 -3.723 -8.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 3.779 -3.370 -8.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 3.924 -4.384 -10.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 3.381 -5.016 -8.638 1.00 0.00 H new ATOM 996 N ASP A 130 3.779 -9.281 -8.640 1.00 0.00 N ATOM 997 CA ASP A 130 2.354 -9.537 -8.816 1.00 0.00 C ATOM 998 C ASP A 130 1.598 -9.319 -7.510 1.00 0.00 C ATOM 999 O ASP A 130 0.576 -8.633 -7.481 1.00 0.00 O ATOM 1000 CB ASP A 130 2.129 -10.964 -9.318 1.00 0.00 C ATOM 1001 CG ASP A 130 0.738 -11.477 -9.000 1.00 0.00 C ATOM 1002 OD1 ASP A 130 -0.218 -10.677 -9.065 1.00 0.00 O ATOM 1003 OD2 ASP A 130 0.606 -12.679 -8.688 1.00 0.00 O ATOM 0 H ASP A 130 4.385 -10.043 -8.944 1.00 0.00 H new ATOM 0 HA ASP A 130 1.972 -8.835 -9.557 1.00 0.00 H new ATOM 0 HB2 ASP A 130 2.287 -10.996 -10.396 1.00 0.00 H new ATOM 0 HB3 ASP A 130 2.869 -11.626 -8.867 1.00 0.00 H new ATOM 1008 N GLN A 131 2.106 -9.906 -6.432 1.00 0.00 N ATOM 1009 CA GLN A 131 1.477 -9.777 -5.123 1.00 0.00 C ATOM 1010 C GLN A 131 1.333 -8.310 -4.731 1.00 0.00 C ATOM 1011 O GLN A 131 0.303 -7.898 -4.198 1.00 0.00 O ATOM 1012 CB GLN A 131 2.293 -10.522 -4.065 1.00 0.00 C ATOM 1013 CG GLN A 131 1.889 -11.978 -3.900 1.00 0.00 C ATOM 1014 CD GLN A 131 2.720 -12.700 -2.857 1.00 0.00 C ATOM 1015 OE1 GLN A 131 2.192 -13.448 -2.034 1.00 0.00 O ATOM 1016 NE2 GLN A 131 4.029 -12.478 -2.886 1.00 0.00 N ATOM 0 H GLN A 131 2.952 -10.476 -6.439 1.00 0.00 H new ATOM 0 HA GLN A 131 0.482 -10.219 -5.181 1.00 0.00 H new ATOM 0 HB2 GLN A 131 3.349 -10.474 -4.332 1.00 0.00 H new ATOM 0 HB3 GLN A 131 2.183 -10.012 -3.108 1.00 0.00 H new ATOM 0 HG2 GLN A 131 0.837 -12.030 -3.620 1.00 0.00 H new ATOM 0 HG3 GLN A 131 1.990 -12.490 -4.857 1.00 0.00 H new ATOM 0 HE21 GLN A 131 4.424 -11.850 -3.586 1.00 0.00 H new ATOM 0 HE22 GLN A 131 4.639 -12.935 -2.208 1.00 0.00 H new ATOM 1025 N ALA A 132 2.372 -7.526 -4.998 1.00 0.00 N ATOM 1026 CA ALA A 132 2.361 -6.105 -4.675 1.00 0.00 C ATOM 1027 C ALA A 132 1.331 -5.359 -5.516 1.00 0.00 C ATOM 1028 O ALA A 132 0.645 -4.463 -5.024 1.00 0.00 O ATOM 1029 CB ALA A 132 3.745 -5.506 -4.878 1.00 0.00 C ATOM 0 H ALA A 132 3.233 -7.852 -5.438 1.00 0.00 H new ATOM 0 HA ALA A 132 2.082 -5.998 -3.627 1.00 0.00 H new ATOM 0 HB1 ALA A 132 3.721 -4.444 -4.633 1.00 0.00 H new ATOM 0 HB2 ALA A 132 4.459 -6.012 -4.229 1.00 0.00 H new ATOM 0 HB3 ALA A 132 4.047 -5.632 -5.918 1.00 0.00 H new ATOM 1035 N ARG A 133 1.229 -5.734 -6.787 1.00 0.00 N ATOM 1036 CA ARG A 133 0.283 -5.098 -7.697 1.00 0.00 C ATOM 1037 C ARG A 133 -1.114 -5.054 -7.086 1.00 0.00 C ATOM 1038 O ARG A 133 -1.745 -3.999 -7.033 1.00 0.00 O ATOM 1039 CB ARG A 133 0.245 -5.847 -9.031 1.00 0.00 C ATOM 1040 CG ARG A 133 -0.739 -5.261 -10.030 1.00 0.00 C ATOM 1041 CD ARG A 133 -0.418 -5.699 -11.451 1.00 0.00 C ATOM 1042 NE ARG A 133 -1.571 -5.569 -12.337 1.00 0.00 N ATOM 1043 CZ ARG A 133 -1.713 -6.258 -13.464 1.00 0.00 C ATOM 1044 NH1 ARG A 133 -0.779 -7.121 -13.840 1.00 0.00 N ATOM 1045 NH2 ARG A 133 -2.791 -6.085 -14.218 1.00 0.00 N ATOM 0 H ARG A 133 1.789 -6.474 -7.210 1.00 0.00 H new ATOM 0 HA ARG A 133 0.616 -4.075 -7.871 1.00 0.00 H new ATOM 0 HB2 ARG A 133 1.243 -5.841 -9.470 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -0.015 -6.889 -8.846 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -1.751 -5.573 -9.772 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -0.716 -4.173 -9.970 1.00 0.00 H new ATOM 0 HD2 ARG A 133 0.406 -5.099 -11.838 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -0.082 -6.736 -11.444 1.00 0.00 H new ATOM 0 HE ARG A 133 -2.308 -4.913 -12.077 1.00 0.00 H new ATOM 0 HH11 ARG A 133 0.051 -7.257 -13.263 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -0.891 -7.649 -14.706 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -3.512 -5.422 -13.933 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -2.899 -6.615 -15.083 1.00 0.00 H new ATOM 1059 N GLN A 134 -1.590 -6.207 -6.627 1.00 0.00 N ATOM 1060 CA GLN A 134 -2.913 -6.299 -6.021 1.00 0.00 C ATOM 1061 C GLN A 134 -3.028 -5.365 -4.821 1.00 0.00 C ATOM 1062 O GLN A 134 -3.849 -4.448 -4.812 1.00 0.00 O ATOM 1063 CB GLN A 134 -3.202 -7.739 -5.592 1.00 0.00 C ATOM 1064 CG GLN A 134 -4.668 -8.001 -5.289 1.00 0.00 C ATOM 1065 CD GLN A 134 -4.891 -9.329 -4.592 1.00 0.00 C ATOM 1066 OE1 GLN A 134 -4.001 -10.178 -4.549 1.00 0.00 O ATOM 1067 NE2 GLN A 134 -6.085 -9.515 -4.041 1.00 0.00 N ATOM 0 H GLN A 134 -1.080 -7.089 -6.663 1.00 0.00 H new ATOM 0 HA GLN A 134 -3.648 -5.995 -6.766 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -2.876 -8.417 -6.381 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -2.610 -7.972 -4.707 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -5.055 -7.197 -4.663 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -5.236 -7.983 -6.219 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -6.794 -8.784 -4.101 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -6.293 -10.389 -3.558 1.00 0.00 H new ATOM 1076 N ALA A 135 -2.201 -5.605 -3.809 1.00 0.00 N ATOM 1077 CA ALA A 135 -2.209 -4.785 -2.604 1.00 0.00 C ATOM 1078 C ALA A 135 -2.536 -3.332 -2.932 1.00 0.00 C ATOM 1079 O ALA A 135 -3.502 -2.770 -2.414 1.00 0.00 O ATOM 1080 CB ALA A 135 -0.867 -4.878 -1.893 1.00 0.00 C ATOM 0 H ALA A 135 -1.517 -6.361 -3.800 1.00 0.00 H new ATOM 0 HA ALA A 135 -2.986 -5.165 -1.941 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -0.887 -4.261 -0.995 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -0.673 -5.914 -1.617 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -0.078 -4.526 -2.557 1.00 0.00 H new ATOM 1086 N LEU A 136 -1.726 -2.728 -3.794 1.00 0.00 N ATOM 1087 CA LEU A 136 -1.929 -1.338 -4.190 1.00 0.00 C ATOM 1088 C LEU A 136 -3.208 -1.187 -5.007 1.00 0.00 C ATOM 1089 O LEU A 136 -4.055 -0.346 -4.702 1.00 0.00 O ATOM 1090 CB LEU A 136 -0.731 -0.838 -5.000 1.00 0.00 C ATOM 1091 CG LEU A 136 -0.916 0.501 -5.715 1.00 0.00 C ATOM 1092 CD1 LEU A 136 0.433 1.115 -6.055 1.00 0.00 C ATOM 1093 CD2 LEU A 136 -1.755 0.323 -6.971 1.00 0.00 C ATOM 0 H LEU A 136 -0.923 -3.178 -4.232 1.00 0.00 H new ATOM 0 HA LEU A 136 -2.024 -0.738 -3.285 1.00 0.00 H new ATOM 0 HB2 LEU A 136 0.125 -0.754 -4.331 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -0.481 -1.593 -5.745 1.00 0.00 H new ATOM 0 HG LEU A 136 -1.442 1.180 -5.044 1.00 0.00 H new ATOM 0 HD11 LEU A 136 0.282 2.067 -6.563 1.00 0.00 H new ATOM 0 HD12 LEU A 136 1.000 1.279 -5.138 1.00 0.00 H new ATOM 0 HD13 LEU A 136 0.986 0.439 -6.707 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -1.876 1.286 -7.467 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -1.256 -0.373 -7.646 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -2.734 -0.072 -6.701 1.00 0.00 H new ATOM 1105 N ASP A 137 -3.343 -2.006 -6.043 1.00 0.00 N ATOM 1106 CA ASP A 137 -4.521 -1.966 -6.902 1.00 0.00 C ATOM 1107 C ASP A 137 -5.793 -1.814 -6.073 1.00 0.00 C ATOM 1108 O ASP A 137 -6.793 -1.272 -6.544 1.00 0.00 O ATOM 1109 CB ASP A 137 -4.601 -3.233 -7.755 1.00 0.00 C ATOM 1110 CG ASP A 137 -3.851 -3.097 -9.065 1.00 0.00 C ATOM 1111 OD1 ASP A 137 -3.732 -1.959 -9.565 1.00 0.00 O ATOM 1112 OD2 ASP A 137 -3.383 -4.129 -9.591 1.00 0.00 O ATOM 0 H ASP A 137 -2.651 -2.707 -6.309 1.00 0.00 H new ATOM 0 HA ASP A 137 -4.432 -1.101 -7.559 1.00 0.00 H new ATOM 0 HB2 ASP A 137 -4.194 -4.073 -7.192 1.00 0.00 H new ATOM 0 HB3 ASP A 137 -5.646 -3.464 -7.960 1.00 0.00 H new ATOM 1117 N LYS A 138 -5.748 -2.299 -4.837 1.00 0.00 N ATOM 1118 CA LYS A 138 -6.895 -2.218 -3.941 1.00 0.00 C ATOM 1119 C LYS A 138 -6.699 -1.118 -2.903 1.00 0.00 C ATOM 1120 O LYS A 138 -7.440 -0.135 -2.878 1.00 0.00 O ATOM 1121 CB LYS A 138 -7.117 -3.561 -3.241 1.00 0.00 C ATOM 1122 CG LYS A 138 -7.383 -4.710 -4.199 1.00 0.00 C ATOM 1123 CD LYS A 138 -8.707 -4.536 -4.924 1.00 0.00 C ATOM 1124 CE LYS A 138 -8.999 -5.713 -5.841 1.00 0.00 C ATOM 1125 NZ LYS A 138 -10.331 -5.590 -6.496 1.00 0.00 N ATOM 0 H LYS A 138 -4.929 -2.753 -4.433 1.00 0.00 H new ATOM 0 HA LYS A 138 -7.774 -1.976 -4.538 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -6.239 -3.797 -2.639 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -7.959 -3.469 -2.555 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -6.574 -4.773 -4.927 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -7.390 -5.650 -3.648 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -9.511 -4.433 -4.195 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -8.685 -3.616 -5.507 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -8.224 -5.779 -6.604 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -8.961 -6.639 -5.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -10.492 -6.412 -7.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -11.073 -5.552 -5.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -10.359 -4.720 -7.065 1.00 0.00 H new ATOM 1139 N LEU A 139 -5.696 -1.289 -2.049 1.00 0.00 N ATOM 1140 CA LEU A 139 -5.401 -0.309 -1.009 1.00 0.00 C ATOM 1141 C LEU A 139 -5.426 1.108 -1.573 1.00 0.00 C ATOM 1142 O LEU A 139 -5.998 2.016 -0.972 1.00 0.00 O ATOM 1143 CB LEU A 139 -4.035 -0.597 -0.382 1.00 0.00 C ATOM 1144 CG LEU A 139 -3.913 -1.914 0.384 1.00 0.00 C ATOM 1145 CD1 LEU A 139 -2.452 -2.246 0.646 1.00 0.00 C ATOM 1146 CD2 LEU A 139 -4.689 -1.845 1.691 1.00 0.00 C ATOM 0 H LEU A 139 -5.073 -2.097 -2.056 1.00 0.00 H new ATOM 0 HA LEU A 139 -6.170 -0.388 -0.241 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -3.285 -0.589 -1.173 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -3.790 0.219 0.297 1.00 0.00 H new ATOM 0 HG LEU A 139 -4.341 -2.709 -0.227 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -2.385 -3.187 1.192 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -1.924 -2.339 -0.303 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -1.998 -1.450 1.237 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -4.591 -2.791 2.223 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -4.292 -1.039 2.308 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -5.741 -1.655 1.480 1.00 0.00 H new ATOM 1158 N ASN A 140 -4.803 1.288 -2.733 1.00 0.00 N ATOM 1159 CA ASN A 140 -4.755 2.595 -3.380 1.00 0.00 C ATOM 1160 C ASN A 140 -6.074 3.339 -3.201 1.00 0.00 C ATOM 1161 O ASN A 140 -6.106 4.568 -3.167 1.00 0.00 O ATOM 1162 CB ASN A 140 -4.442 2.438 -4.870 1.00 0.00 C ATOM 1163 CG ASN A 140 -4.858 3.653 -5.678 1.00 0.00 C ATOM 1164 OD1 ASN A 140 -6.026 3.804 -6.035 1.00 0.00 O ATOM 1165 ND2 ASN A 140 -3.900 4.524 -5.970 1.00 0.00 N ATOM 0 H ASN A 140 -4.325 0.546 -3.244 1.00 0.00 H new ATOM 0 HA ASN A 140 -3.963 3.178 -2.909 1.00 0.00 H new ATOM 0 HB2 ASN A 140 -3.373 2.268 -4.998 1.00 0.00 H new ATOM 0 HB3 ASN A 140 -4.954 1.556 -5.255 1.00 0.00 H new ATOM 0 HD21 ASN A 140 -4.119 5.360 -6.512 1.00 0.00 H new ATOM 0 HD22 ASN A 140 -2.945 4.357 -5.653 1.00 0.00 H new ATOM 1172 N GLY A 141 -7.163 2.584 -3.086 1.00 0.00 N ATOM 1173 CA GLY A 141 -8.470 3.189 -2.911 1.00 0.00 C ATOM 1174 C GLY A 141 -9.326 2.441 -1.909 1.00 0.00 C ATOM 1175 O GLY A 141 -10.542 2.626 -1.859 1.00 0.00 O ATOM 0 H GLY A 141 -7.163 1.564 -3.111 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -8.348 4.221 -2.581 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -8.984 3.220 -3.872 1.00 0.00 H new ATOM 1179 N PHE A 142 -8.690 1.591 -1.108 1.00 0.00 N ATOM 1180 CA PHE A 142 -9.402 0.810 -0.103 1.00 0.00 C ATOM 1181 C PHE A 142 -9.889 1.702 1.035 1.00 0.00 C ATOM 1182 O PHE A 142 -9.126 2.044 1.938 1.00 0.00 O ATOM 1183 CB PHE A 142 -8.498 -0.293 0.450 1.00 0.00 C ATOM 1184 CG PHE A 142 -9.207 -1.245 1.370 1.00 0.00 C ATOM 1185 CD1 PHE A 142 -9.539 -0.864 2.660 1.00 0.00 C ATOM 1186 CD2 PHE A 142 -9.543 -2.520 0.945 1.00 0.00 C ATOM 1187 CE1 PHE A 142 -10.192 -1.738 3.509 1.00 0.00 C ATOM 1188 CE2 PHE A 142 -10.195 -3.399 1.789 1.00 0.00 C ATOM 1189 CZ PHE A 142 -10.521 -3.007 3.073 1.00 0.00 C ATOM 0 H PHE A 142 -7.684 1.426 -1.136 1.00 0.00 H new ATOM 0 HA PHE A 142 -10.270 0.355 -0.580 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -8.072 -0.854 -0.382 1.00 0.00 H new ATOM 0 HB3 PHE A 142 -7.666 0.165 0.985 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -9.285 0.127 3.006 1.00 0.00 H new ATOM 0 HD2 PHE A 142 -9.292 -2.831 -0.058 1.00 0.00 H new ATOM 0 HE1 PHE A 142 -10.445 -1.429 4.512 1.00 0.00 H new ATOM 0 HE2 PHE A 142 -10.449 -4.391 1.445 1.00 0.00 H new ATOM 0 HZ PHE A 142 -11.032 -3.691 3.734 1.00 0.00 H new ATOM 1199 N GLN A 143 -11.163 2.075 0.982 1.00 0.00 N ATOM 1200 CA GLN A 143 -11.752 2.929 2.008 1.00 0.00 C ATOM 1201 C GLN A 143 -11.763 2.225 3.361 1.00 0.00 C ATOM 1202 O GLN A 143 -12.308 1.129 3.498 1.00 0.00 O ATOM 1203 CB GLN A 143 -13.176 3.327 1.615 1.00 0.00 C ATOM 1204 CG GLN A 143 -13.698 4.540 2.367 1.00 0.00 C ATOM 1205 CD GLN A 143 -14.411 4.168 3.652 1.00 0.00 C ATOM 1206 OE1 GLN A 143 -14.007 3.239 4.352 1.00 0.00 O ATOM 1207 NE2 GLN A 143 -15.477 4.892 3.969 1.00 0.00 N ATOM 0 H GLN A 143 -11.807 1.800 0.241 1.00 0.00 H new ATOM 0 HA GLN A 143 -11.141 3.828 2.091 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -13.204 3.533 0.545 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -13.843 2.484 1.795 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -12.866 5.206 2.597 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -14.382 5.095 1.724 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -15.776 5.653 3.359 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -15.997 4.688 4.822 1.00 0.00 H new ATOM 1216 N LEU A 144 -11.159 2.861 4.358 1.00 0.00 N ATOM 1217 CA LEU A 144 -11.099 2.296 5.702 1.00 0.00 C ATOM 1218 C LEU A 144 -11.356 3.369 6.755 1.00 0.00 C ATOM 1219 O LEU A 144 -10.538 4.267 6.952 1.00 0.00 O ATOM 1220 CB LEU A 144 -9.736 1.645 5.942 1.00 0.00 C ATOM 1221 CG LEU A 144 -9.676 0.609 7.065 1.00 0.00 C ATOM 1222 CD1 LEU A 144 -8.474 -0.304 6.885 1.00 0.00 C ATOM 1223 CD2 LEU A 144 -9.629 1.295 8.422 1.00 0.00 C ATOM 0 H LEU A 144 -10.704 3.769 4.262 1.00 0.00 H new ATOM 0 HA LEU A 144 -11.877 1.537 5.786 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -9.416 1.167 5.016 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -9.014 2.431 6.161 1.00 0.00 H new ATOM 0 HG LEU A 144 -10.579 -0.000 7.020 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -8.448 -1.035 7.693 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -8.551 -0.823 5.929 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -7.560 0.290 6.903 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -9.587 0.542 9.209 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -8.744 1.929 8.479 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -10.522 1.906 8.552 1.00 0.00 H new ATOM 1235 N GLU A 145 -12.496 3.266 7.432 1.00 0.00 N ATOM 1236 CA GLU A 145 -12.859 4.227 8.466 1.00 0.00 C ATOM 1237 C GLU A 145 -13.010 5.628 7.879 1.00 0.00 C ATOM 1238 O GLU A 145 -12.599 6.615 8.487 1.00 0.00 O ATOM 1239 CB GLU A 145 -11.805 4.238 9.575 1.00 0.00 C ATOM 1240 CG GLU A 145 -11.818 2.989 10.440 1.00 0.00 C ATOM 1241 CD GLU A 145 -11.363 3.259 11.862 1.00 0.00 C ATOM 1242 OE1 GLU A 145 -10.138 3.261 12.102 1.00 0.00 O ATOM 1243 OE2 GLU A 145 -12.233 3.468 12.733 1.00 0.00 O ATOM 0 H GLU A 145 -13.183 2.527 7.283 1.00 0.00 H new ATOM 0 HA GLU A 145 -13.817 3.924 8.888 1.00 0.00 H new ATOM 0 HB2 GLU A 145 -10.818 4.348 9.126 1.00 0.00 H new ATOM 0 HB3 GLU A 145 -11.966 5.110 10.209 1.00 0.00 H new ATOM 0 HG2 GLU A 145 -12.826 2.574 10.458 1.00 0.00 H new ATOM 0 HG3 GLU A 145 -11.171 2.235 9.992 1.00 0.00 H new ATOM 1250 N ASN A 146 -13.604 5.704 6.693 1.00 0.00 N ATOM 1251 CA ASN A 146 -13.809 6.983 6.022 1.00 0.00 C ATOM 1252 C ASN A 146 -12.477 7.599 5.605 1.00 0.00 C ATOM 1253 O ASN A 146 -12.360 8.816 5.463 1.00 0.00 O ATOM 1254 CB ASN A 146 -14.565 7.948 6.938 1.00 0.00 C ATOM 1255 CG ASN A 146 -15.693 7.267 7.689 1.00 0.00 C ATOM 1256 OD1 ASN A 146 -15.526 6.844 8.833 1.00 0.00 O ATOM 1257 ND2 ASN A 146 -16.850 7.159 7.046 1.00 0.00 N ATOM 0 H ASN A 146 -13.952 4.896 6.177 1.00 0.00 H new ATOM 0 HA ASN A 146 -14.402 6.803 5.125 1.00 0.00 H new ATOM 0 HB2 ASN A 146 -13.869 8.387 7.653 1.00 0.00 H new ATOM 0 HB3 ASN A 146 -14.970 8.767 6.344 1.00 0.00 H new ATOM 0 HD21 ASN A 146 -17.646 6.711 7.500 1.00 0.00 H new ATOM 0 HD22 ASN A 146 -16.943 7.524 6.098 1.00 0.00 H new ATOM 1264 N PHE A 147 -11.474 6.749 5.410 1.00 0.00 N ATOM 1265 CA PHE A 147 -10.149 7.209 5.010 1.00 0.00 C ATOM 1266 C PHE A 147 -9.642 6.423 3.804 1.00 0.00 C ATOM 1267 O PHE A 147 -9.044 5.356 3.949 1.00 0.00 O ATOM 1268 CB PHE A 147 -9.165 7.070 6.173 1.00 0.00 C ATOM 1269 CG PHE A 147 -9.218 8.215 7.143 1.00 0.00 C ATOM 1270 CD1 PHE A 147 -8.611 9.424 6.842 1.00 0.00 C ATOM 1271 CD2 PHE A 147 -9.874 8.083 8.356 1.00 0.00 C ATOM 1272 CE1 PHE A 147 -8.658 10.480 7.732 1.00 0.00 C ATOM 1273 CE2 PHE A 147 -9.925 9.136 9.250 1.00 0.00 C ATOM 1274 CZ PHE A 147 -9.315 10.336 8.938 1.00 0.00 C ATOM 0 H PHE A 147 -11.553 5.738 5.522 1.00 0.00 H new ATOM 0 HA PHE A 147 -10.225 8.260 4.731 1.00 0.00 H new ATOM 0 HB2 PHE A 147 -9.374 6.143 6.706 1.00 0.00 H new ATOM 0 HB3 PHE A 147 -8.154 6.988 5.775 1.00 0.00 H new ATOM 0 HD1 PHE A 147 -8.095 9.542 5.901 1.00 0.00 H new ATOM 0 HD2 PHE A 147 -10.351 7.147 8.606 1.00 0.00 H new ATOM 0 HE1 PHE A 147 -8.181 11.417 7.485 1.00 0.00 H new ATOM 0 HE2 PHE A 147 -10.441 9.021 10.192 1.00 0.00 H new ATOM 0 HZ PHE A 147 -9.352 11.159 9.636 1.00 0.00 H new ATOM 1284 N THR A 148 -9.886 6.959 2.611 1.00 0.00 N ATOM 1285 CA THR A 148 -9.457 6.309 1.379 1.00 0.00 C ATOM 1286 C THR A 148 -7.946 6.113 1.359 1.00 0.00 C ATOM 1287 O THR A 148 -7.193 7.041 1.059 1.00 0.00 O ATOM 1288 CB THR A 148 -9.875 7.122 0.140 1.00 0.00 C ATOM 1289 OG1 THR A 148 -11.208 7.618 0.306 1.00 0.00 O ATOM 1290 CG2 THR A 148 -9.798 6.270 -1.118 1.00 0.00 C ATOM 0 H THR A 148 -10.378 7.841 2.473 1.00 0.00 H new ATOM 0 HA THR A 148 -9.947 5.336 1.347 1.00 0.00 H new ATOM 0 HB THR A 148 -9.187 7.961 0.034 1.00 0.00 H new ATOM 0 HG1 THR A 148 -11.465 8.135 -0.486 1.00 0.00 H new ATOM 0 HG21 THR A 148 -10.098 6.866 -1.980 1.00 0.00 H new ATOM 0 HG22 THR A 148 -8.776 5.919 -1.258 1.00 0.00 H new ATOM 0 HG23 THR A 148 -10.465 5.414 -1.019 1.00 0.00 H new ATOM 1298 N LEU A 149 -7.507 4.900 1.679 1.00 0.00 N ATOM 1299 CA LEU A 149 -6.083 4.582 1.696 1.00 0.00 C ATOM 1300 C LEU A 149 -5.445 4.867 0.340 1.00 0.00 C ATOM 1301 O LEU A 149 -5.919 4.395 -0.693 1.00 0.00 O ATOM 1302 CB LEU A 149 -5.873 3.115 2.073 1.00 0.00 C ATOM 1303 CG LEU A 149 -6.514 2.661 3.385 1.00 0.00 C ATOM 1304 CD1 LEU A 149 -6.371 1.156 3.556 1.00 0.00 C ATOM 1305 CD2 LEU A 149 -5.893 3.395 4.564 1.00 0.00 C ATOM 0 H LEU A 149 -8.116 4.121 1.930 1.00 0.00 H new ATOM 0 HA LEU A 149 -5.603 5.215 2.442 1.00 0.00 H new ATOM 0 HB2 LEU A 149 -6.264 2.494 1.267 1.00 0.00 H new ATOM 0 HB3 LEU A 149 -4.801 2.925 2.131 1.00 0.00 H new ATOM 0 HG LEU A 149 -7.576 2.903 3.351 1.00 0.00 H new ATOM 0 HD11 LEU A 149 -6.833 0.851 4.495 1.00 0.00 H new ATOM 0 HD12 LEU A 149 -6.863 0.647 2.727 1.00 0.00 H new ATOM 0 HD13 LEU A 149 -5.314 0.890 3.568 1.00 0.00 H new ATOM 0 HD21 LEU A 149 -6.361 3.059 5.489 1.00 0.00 H new ATOM 0 HD22 LEU A 149 -4.824 3.185 4.601 1.00 0.00 H new ATOM 0 HD23 LEU A 149 -6.048 4.468 4.447 1.00 0.00 H new ATOM 1317 N LYS A 150 -4.365 5.641 0.351 1.00 0.00 N ATOM 1318 CA LYS A 150 -3.658 5.987 -0.876 1.00 0.00 C ATOM 1319 C LYS A 150 -2.347 5.215 -0.985 1.00 0.00 C ATOM 1320 O LYS A 150 -1.553 5.184 -0.045 1.00 0.00 O ATOM 1321 CB LYS A 150 -3.382 7.491 -0.924 1.00 0.00 C ATOM 1322 CG LYS A 150 -4.635 8.343 -0.818 1.00 0.00 C ATOM 1323 CD LYS A 150 -4.349 9.798 -1.151 1.00 0.00 C ATOM 1324 CE LYS A 150 -5.605 10.521 -1.614 1.00 0.00 C ATOM 1325 NZ LYS A 150 -5.419 11.998 -1.633 1.00 0.00 N ATOM 0 H LYS A 150 -3.960 6.041 1.197 1.00 0.00 H new ATOM 0 HA LYS A 150 -4.292 5.713 -1.720 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -2.704 7.754 -0.112 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -2.869 7.728 -1.856 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -5.397 7.957 -1.495 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -5.040 8.272 0.192 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -3.942 10.300 -0.273 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -3.589 9.851 -1.930 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -5.876 10.176 -2.612 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -6.434 10.268 -0.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -6.297 12.454 -1.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -5.186 12.331 -0.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -4.644 12.242 -2.283 1.00 0.00 H new ATOM 1339 N VAL A 151 -2.125 4.593 -2.139 1.00 0.00 N ATOM 1340 CA VAL A 151 -0.909 3.823 -2.371 1.00 0.00 C ATOM 1341 C VAL A 151 -0.221 4.258 -3.660 1.00 0.00 C ATOM 1342 O VAL A 151 -0.879 4.559 -4.656 1.00 0.00 O ATOM 1343 CB VAL A 151 -1.206 2.314 -2.445 1.00 0.00 C ATOM 1344 CG1 VAL A 151 0.087 1.520 -2.557 1.00 0.00 C ATOM 1345 CG2 VAL A 151 -2.011 1.869 -1.233 1.00 0.00 C ATOM 0 H VAL A 151 -2.772 4.608 -2.928 1.00 0.00 H new ATOM 0 HA VAL A 151 -0.247 4.014 -1.526 1.00 0.00 H new ATOM 0 HB VAL A 151 -1.801 2.122 -3.338 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -0.143 0.456 -2.608 1.00 0.00 H new ATOM 0 HG12 VAL A 151 0.621 1.820 -3.459 1.00 0.00 H new ATOM 0 HG13 VAL A 151 0.710 1.715 -1.684 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -2.212 0.800 -1.302 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -1.444 2.074 -0.325 1.00 0.00 H new ATOM 0 HG23 VAL A 151 -2.954 2.414 -1.203 1.00 0.00 H new ATOM 1355 N ALA A 152 1.107 4.289 -3.634 1.00 0.00 N ATOM 1356 CA ALA A 152 1.885 4.685 -4.802 1.00 0.00 C ATOM 1357 C ALA A 152 3.219 3.948 -4.848 1.00 0.00 C ATOM 1358 O ALA A 152 3.865 3.749 -3.819 1.00 0.00 O ATOM 1359 CB ALA A 152 2.110 6.190 -4.800 1.00 0.00 C ATOM 0 H ALA A 152 1.667 4.045 -2.817 1.00 0.00 H new ATOM 0 HA ALA A 152 1.320 4.415 -5.694 1.00 0.00 H new ATOM 0 HB1 ALA A 152 2.692 6.472 -5.677 1.00 0.00 H new ATOM 0 HB2 ALA A 152 1.148 6.702 -4.823 1.00 0.00 H new ATOM 0 HB3 ALA A 152 2.651 6.476 -3.898 1.00 0.00 H new ATOM 1365 N TYR A 153 3.627 3.546 -6.046 1.00 0.00 N ATOM 1366 CA TYR A 153 4.883 2.829 -6.226 1.00 0.00 C ATOM 1367 C TYR A 153 6.072 3.710 -5.854 1.00 0.00 C ATOM 1368 O TYR A 153 6.256 4.791 -6.415 1.00 0.00 O ATOM 1369 CB TYR A 153 5.021 2.351 -7.672 1.00 0.00 C ATOM 1370 CG TYR A 153 4.264 1.075 -7.963 1.00 0.00 C ATOM 1371 CD1 TYR A 153 4.741 -0.154 -7.526 1.00 0.00 C ATOM 1372 CD2 TYR A 153 3.070 1.099 -8.674 1.00 0.00 C ATOM 1373 CE1 TYR A 153 4.053 -1.323 -7.790 1.00 0.00 C ATOM 1374 CE2 TYR A 153 2.375 -0.064 -8.942 1.00 0.00 C ATOM 1375 CZ TYR A 153 2.870 -1.273 -8.498 1.00 0.00 C ATOM 1376 OH TYR A 153 2.181 -2.434 -8.762 1.00 0.00 O ATOM 0 H TYR A 153 3.105 3.705 -6.908 1.00 0.00 H new ATOM 0 HA TYR A 153 4.874 1.963 -5.564 1.00 0.00 H new ATOM 0 HB2 TYR A 153 4.665 3.135 -8.340 1.00 0.00 H new ATOM 0 HB3 TYR A 153 6.077 2.196 -7.895 1.00 0.00 H new ATOM 0 HD1 TYR A 153 5.666 -0.197 -6.970 1.00 0.00 H new ATOM 0 HD2 TYR A 153 2.679 2.043 -9.023 1.00 0.00 H new ATOM 0 HE1 TYR A 153 4.439 -2.270 -7.444 1.00 0.00 H new ATOM 0 HE2 TYR A 153 1.449 -0.027 -9.496 1.00 0.00 H new ATOM 0 HH TYR A 153 1.369 -2.224 -9.269 1.00 0.00 H new ATOM 1386 N ILE A 154 6.875 3.240 -4.906 1.00 0.00 N ATOM 1387 CA ILE A 154 8.047 3.984 -4.460 1.00 0.00 C ATOM 1388 C ILE A 154 9.243 3.721 -5.369 1.00 0.00 C ATOM 1389 O ILE A 154 9.502 2.592 -5.784 1.00 0.00 O ATOM 1390 CB ILE A 154 8.426 3.622 -3.012 1.00 0.00 C ATOM 1391 CG1 ILE A 154 7.259 3.914 -2.067 1.00 0.00 C ATOM 1392 CG2 ILE A 154 9.668 4.388 -2.583 1.00 0.00 C ATOM 1393 CD1 ILE A 154 7.568 3.620 -0.616 1.00 0.00 C ATOM 0 H ILE A 154 6.736 2.348 -4.432 1.00 0.00 H new ATOM 0 HA ILE A 154 7.786 5.041 -4.504 1.00 0.00 H new ATOM 0 HB ILE A 154 8.647 2.556 -2.966 1.00 0.00 H new ATOM 0 HG12 ILE A 154 6.977 4.962 -2.165 1.00 0.00 H new ATOM 0 HG13 ILE A 154 6.397 3.322 -2.374 1.00 0.00 H new ATOM 0 HG21 ILE A 154 9.924 4.122 -1.557 1.00 0.00 H new ATOM 0 HG22 ILE A 154 10.498 4.133 -3.242 1.00 0.00 H new ATOM 0 HG23 ILE A 154 9.473 5.459 -2.642 1.00 0.00 H new ATOM 0 HD11 ILE A 154 6.696 3.850 -0.004 1.00 0.00 H new ATOM 0 HD12 ILE A 154 7.821 2.566 -0.504 1.00 0.00 H new ATOM 0 HD13 ILE A 154 8.410 4.232 -0.292 1.00 0.00 H new