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 129 LYS NZ :NH3+ -179:sc= 0.117 (180deg=0.117) USER MOD Set 1.2: A 153 TYR OH : rot 37:sc= -0.636 USER MOD Set 2.1: A 84 GLN : amide:sc= 0 X(o=-4.6,f=-4.6) USER MOD Set 2.2: A 123 ASN : amide:sc= -4.64! C(o=-4.6!,f=-8.2!) USER MOD Set 3.1: A 99 SER OG : rot -80:sc= 0.458 USER MOD Set 3.2: A 103 GLN : amide:sc= -0.335 K(o=0.12,f=-3.6!) USER MOD Single : A 82 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0135) USER MOD Single : A 87 ASN : amide:sc= -1.38 K(o=-1.4,f=-2.1) USER MOD Single : A 91 HIS : no HD1:sc= -0.331 X(o=-0.33,f=-0.026) USER MOD Single : A 93 GLN : amide:sc= -0.513 K(o=-0.51,f=-2.6) USER MOD Single : A 104 TYR OH : rot 165:sc= -0.0297 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=-0.18) USER MOD Single : A 114 ASN :FLIP amide:sc= 0 F(o=-0.83,f=0) USER MOD Single : A 115 THR OG1 : rot -48:sc= 0.517 USER MOD Single : A 117 SER OG : rot 180:sc= -0.141 USER MOD Single : A 119 THR OG1 : rot -160:sc= 0 USER MOD Single : A 125 THR OG1 : rot 83:sc= -0.283 USER MOD Single : A 126 TYR OH : rot -13:sc= 0.525 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= -5.61! C(o=-5.6!,f=-8.9!) USER MOD Single : A 134 GLN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 ASN : amide:sc= 0.554 K(o=0.55,f=-0.71) USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 146 ASN : amide:sc= -0.0678 X(o=-0.068,f=-0.23) 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 ----------------------------------------------------------------- ATOM 237 N LYS A 82 9.507 -0.810 -3.607 1.00 0.00 N ATOM 238 CA LYS A 82 8.747 -0.710 -2.366 1.00 0.00 C ATOM 239 C LYS A 82 7.399 -0.039 -2.607 1.00 0.00 C ATOM 240 O LYS A 82 7.109 0.417 -3.713 1.00 0.00 O ATOM 241 CB LYS A 82 9.541 0.075 -1.320 1.00 0.00 C ATOM 242 CG LYS A 82 9.204 -0.305 0.111 1.00 0.00 C ATOM 243 CD LYS A 82 10.397 -0.117 1.034 1.00 0.00 C ATOM 244 CE LYS A 82 10.486 1.313 1.545 1.00 0.00 C ATOM 245 NZ LYS A 82 11.271 2.183 0.626 1.00 0.00 N ATOM 0 HA LYS A 82 8.569 -1.719 -1.995 1.00 0.00 H new ATOM 0 HB2 LYS A 82 10.606 -0.086 -1.489 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.354 1.140 -1.458 1.00 0.00 H new ATOM 0 HG2 LYS A 82 8.371 0.303 0.463 1.00 0.00 H new ATOM 0 HG3 LYS A 82 8.877 -1.344 0.145 1.00 0.00 H new ATOM 0 HD2 LYS A 82 10.317 -0.802 1.878 1.00 0.00 H new ATOM 0 HD3 LYS A 82 11.314 -0.372 0.502 1.00 0.00 H new ATOM 0 HE2 LYS A 82 9.482 1.720 1.661 1.00 0.00 H new ATOM 0 HE3 LYS A 82 10.948 1.318 2.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 11.409 3.116 1.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 12.197 1.747 0.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 10.756 2.295 -0.270 1.00 0.00 H new ATOM 259 N LEU A 83 6.578 0.019 -1.564 1.00 0.00 N ATOM 260 CA LEU A 83 5.260 0.637 -1.661 1.00 0.00 C ATOM 261 C LEU A 83 5.000 1.555 -0.471 1.00 0.00 C ATOM 262 O LEU A 83 5.337 1.224 0.665 1.00 0.00 O ATOM 263 CB LEU A 83 4.175 -0.439 -1.736 1.00 0.00 C ATOM 264 CG LEU A 83 4.052 -1.176 -3.071 1.00 0.00 C ATOM 265 CD1 LEU A 83 3.252 -2.458 -2.901 1.00 0.00 C ATOM 266 CD2 LEU A 83 3.409 -0.279 -4.118 1.00 0.00 C ATOM 0 H LEU A 83 6.802 -0.354 -0.642 1.00 0.00 H new ATOM 0 HA LEU A 83 5.233 1.236 -2.571 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.366 -1.174 -0.954 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.215 0.025 -1.510 1.00 0.00 H new ATOM 0 HG LEU A 83 5.053 -1.439 -3.412 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.175 -2.969 -3.861 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.754 -3.107 -2.184 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.253 -2.218 -2.536 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.330 -0.820 -5.061 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.414 0.015 -3.784 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.022 0.611 -4.261 1.00 0.00 H new ATOM 278 N GLN A 84 4.396 2.708 -0.741 1.00 0.00 N ATOM 279 CA GLN A 84 4.090 3.673 0.308 1.00 0.00 C ATOM 280 C GLN A 84 2.583 3.792 0.515 1.00 0.00 C ATOM 281 O GLN A 84 1.831 4.005 -0.436 1.00 0.00 O ATOM 282 CB GLN A 84 4.678 5.041 -0.040 1.00 0.00 C ATOM 283 CG GLN A 84 4.255 6.146 0.915 1.00 0.00 C ATOM 284 CD GLN A 84 5.269 7.271 0.992 1.00 0.00 C ATOM 285 OE1 GLN A 84 5.114 8.307 0.345 1.00 0.00 O ATOM 286 NE2 GLN A 84 6.315 7.072 1.785 1.00 0.00 N ATOM 0 H GLN A 84 4.109 2.996 -1.676 1.00 0.00 H new ATOM 0 HA GLN A 84 4.539 3.318 1.235 1.00 0.00 H new ATOM 0 HB2 GLN A 84 5.766 4.970 -0.041 1.00 0.00 H new ATOM 0 HB3 GLN A 84 4.375 5.311 -1.052 1.00 0.00 H new ATOM 0 HG2 GLN A 84 3.294 6.549 0.595 1.00 0.00 H new ATOM 0 HG3 GLN A 84 4.109 5.725 1.910 1.00 0.00 H new ATOM 0 HE21 GLN A 84 6.403 6.198 2.303 1.00 0.00 H new ATOM 0 HE22 GLN A 84 7.030 7.793 1.876 1.00 0.00 H new ATOM 295 N ILE A 85 2.150 3.651 1.764 1.00 0.00 N ATOM 296 CA ILE A 85 0.733 3.743 2.095 1.00 0.00 C ATOM 297 C ILE A 85 0.447 4.973 2.950 1.00 0.00 C ATOM 298 O ILE A 85 1.160 5.249 3.916 1.00 0.00 O ATOM 299 CB ILE A 85 0.247 2.487 2.842 1.00 0.00 C ATOM 300 CG1 ILE A 85 0.620 1.226 2.061 1.00 0.00 C ATOM 301 CG2 ILE A 85 -1.257 2.553 3.065 1.00 0.00 C ATOM 302 CD1 ILE A 85 0.205 -0.056 2.749 1.00 0.00 C ATOM 0 H ILE A 85 2.759 3.473 2.562 1.00 0.00 H new ATOM 0 HA ILE A 85 0.193 3.826 1.152 1.00 0.00 H new ATOM 0 HB ILE A 85 0.738 2.448 3.814 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.155 1.267 1.076 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.698 1.212 1.904 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.586 1.659 3.594 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.498 3.435 3.658 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.765 2.613 2.103 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.501 -0.909 2.138 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.691 -0.120 3.723 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -0.877 -0.064 2.882 1.00 0.00 H new ATOM 314 N ARG A 86 -0.600 5.707 2.590 1.00 0.00 N ATOM 315 CA ARG A 86 -0.981 6.907 3.325 1.00 0.00 C ATOM 316 C ARG A 86 -2.492 6.960 3.534 1.00 0.00 C ATOM 317 O ARG A 86 -3.212 6.033 3.166 1.00 0.00 O ATOM 318 CB ARG A 86 -0.515 8.158 2.578 1.00 0.00 C ATOM 319 CG ARG A 86 0.997 8.301 2.515 1.00 0.00 C ATOM 320 CD ARG A 86 1.431 9.103 1.298 1.00 0.00 C ATOM 321 NE ARG A 86 1.304 8.335 0.063 1.00 0.00 N ATOM 322 CZ ARG A 86 1.314 8.882 -1.147 1.00 0.00 C ATOM 323 NH1 ARG A 86 1.443 10.194 -1.284 1.00 0.00 N ATOM 324 NH2 ARG A 86 1.194 8.116 -2.224 1.00 0.00 N ATOM 0 H ARG A 86 -1.200 5.492 1.794 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.497 6.873 4.301 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.912 8.134 1.563 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.935 9.039 3.064 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.355 8.790 3.421 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.456 7.313 2.483 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.827 10.008 1.226 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.466 9.420 1.423 1.00 0.00 H new ATOM 0 HE ARG A 86 1.202 7.323 0.133 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.535 10.786 -0.459 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.450 10.611 -2.215 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.094 7.106 -2.123 1.00 0.00 H new ATOM 0 HH22 ARG A 86 1.202 8.537 -3.153 1.00 0.00 H new ATOM 338 N ASN A 87 -2.964 8.051 4.128 1.00 0.00 N ATOM 339 CA ASN A 87 -4.388 8.225 4.388 1.00 0.00 C ATOM 340 C ASN A 87 -4.893 7.177 5.375 1.00 0.00 C ATOM 341 O ASN A 87 -6.073 6.825 5.372 1.00 0.00 O ATOM 342 CB ASN A 87 -5.180 8.135 3.082 1.00 0.00 C ATOM 343 CG ASN A 87 -5.374 9.491 2.429 1.00 0.00 C ATOM 344 OD1 ASN A 87 -4.425 10.259 2.274 1.00 0.00 O ATOM 345 ND2 ASN A 87 -6.609 9.790 2.044 1.00 0.00 N ATOM 0 H ASN A 87 -2.381 8.828 4.438 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.534 9.212 4.827 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -4.660 7.472 2.390 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -6.154 7.688 3.281 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -6.801 10.688 1.599 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -7.365 9.122 2.193 1.00 0.00 H new ATOM 352 N ILE A 88 -3.992 6.683 6.217 1.00 0.00 N ATOM 353 CA ILE A 88 -4.347 5.676 7.210 1.00 0.00 C ATOM 354 C ILE A 88 -4.932 6.322 8.461 1.00 0.00 C ATOM 355 O ILE A 88 -4.342 7.222 9.060 1.00 0.00 O ATOM 356 CB ILE A 88 -3.127 4.824 7.608 1.00 0.00 C ATOM 357 CG1 ILE A 88 -2.600 4.053 6.396 1.00 0.00 C ATOM 358 CG2 ILE A 88 -3.494 3.868 8.733 1.00 0.00 C ATOM 359 CD1 ILE A 88 -1.224 3.461 6.609 1.00 0.00 C ATOM 0 H ILE A 88 -3.011 6.963 6.232 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.097 5.031 6.752 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.338 5.487 7.964 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.298 3.252 6.154 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.570 4.721 5.535 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.622 3.273 9.004 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.828 4.438 9.600 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.296 3.208 8.402 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.914 2.929 5.710 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.513 4.260 6.822 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.252 2.767 7.449 1.00 0.00 H new ATOM 371 N PRO A 89 -6.120 5.851 8.870 1.00 0.00 N ATOM 372 CA PRO A 89 -6.810 6.366 10.056 1.00 0.00 C ATOM 373 C PRO A 89 -6.103 5.982 11.351 1.00 0.00 C ATOM 374 O PRO A 89 -5.777 4.818 11.587 1.00 0.00 O ATOM 375 CB PRO A 89 -8.187 5.701 9.981 1.00 0.00 C ATOM 376 CG PRO A 89 -7.964 4.456 9.195 1.00 0.00 C ATOM 377 CD PRO A 89 -6.880 4.779 8.205 1.00 0.00 C ATOM 0 HA PRO A 89 -6.847 7.455 10.065 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -8.573 5.477 10.975 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -8.915 6.351 9.495 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -7.666 3.633 9.844 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -8.877 4.147 8.687 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -6.254 3.911 7.997 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.292 5.110 7.252 1.00 0.00 H new ATOM 385 N PRO A 90 -5.859 6.981 12.212 1.00 0.00 N ATOM 386 CA PRO A 90 -5.189 6.772 13.498 1.00 0.00 C ATOM 387 C PRO A 90 -6.058 6.001 14.486 1.00 0.00 C ATOM 388 O PRO A 90 -5.661 5.771 15.629 1.00 0.00 O ATOM 389 CB PRO A 90 -4.938 8.195 14.003 1.00 0.00 C ATOM 390 CG PRO A 90 -5.985 9.022 13.341 1.00 0.00 C ATOM 391 CD PRO A 90 -6.220 8.392 11.996 1.00 0.00 C ATOM 0 HA PRO A 90 -4.282 6.177 13.393 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -5.018 8.250 15.089 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -3.937 8.538 13.740 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -6.902 9.037 13.931 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.657 10.056 13.236 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -7.258 8.497 11.679 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -5.603 8.851 11.224 1.00 0.00 H new ATOM 399 N HIS A 91 -7.245 5.604 14.039 1.00 0.00 N ATOM 400 CA HIS A 91 -8.170 4.858 14.884 1.00 0.00 C ATOM 401 C HIS A 91 -7.916 3.358 14.776 1.00 0.00 C ATOM 402 O HIS A 91 -7.857 2.653 15.784 1.00 0.00 O ATOM 403 CB HIS A 91 -9.615 5.172 14.496 1.00 0.00 C ATOM 404 CG HIS A 91 -9.854 6.619 14.195 1.00 0.00 C ATOM 405 ND1 HIS A 91 -10.782 7.053 13.272 1.00 0.00 N ATOM 406 CD2 HIS A 91 -9.280 7.736 14.702 1.00 0.00 C ATOM 407 CE1 HIS A 91 -10.768 8.373 13.223 1.00 0.00 C ATOM 408 NE2 HIS A 91 -9.865 8.812 14.081 1.00 0.00 N ATOM 0 H HIS A 91 -7.589 5.787 13.096 1.00 0.00 H new ATOM 0 HA HIS A 91 -8.005 5.163 15.917 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -9.885 4.578 13.623 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -10.275 4.864 15.307 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -8.506 7.773 15.455 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -11.389 8.988 12.589 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -9.639 9.791 14.254 1.00 0.00 H new ATOM 416 N LEU A 92 -7.767 2.876 13.547 1.00 0.00 N ATOM 417 CA LEU A 92 -7.520 1.458 13.306 1.00 0.00 C ATOM 418 C LEU A 92 -6.329 0.967 14.123 1.00 0.00 C ATOM 419 O LEU A 92 -5.444 1.744 14.476 1.00 0.00 O ATOM 420 CB LEU A 92 -7.268 1.210 11.818 1.00 0.00 C ATOM 421 CG LEU A 92 -6.448 -0.034 11.474 1.00 0.00 C ATOM 422 CD1 LEU A 92 -6.857 -0.584 10.116 1.00 0.00 C ATOM 423 CD2 LEU A 92 -4.961 0.285 11.496 1.00 0.00 C ATOM 0 H LEU A 92 -7.813 3.446 12.702 1.00 0.00 H new ATOM 0 HA LEU A 92 -8.405 0.902 13.616 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -8.232 1.136 11.314 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -6.759 2.081 11.406 1.00 0.00 H new ATOM 0 HG LEU A 92 -6.647 -0.797 12.227 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -6.263 -1.469 9.888 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -7.914 -0.851 10.135 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -6.688 0.174 9.351 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -4.393 -0.612 11.249 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -4.745 1.064 10.765 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.678 0.632 12.490 1.00 0.00 H new ATOM 435 N GLN A 93 -6.316 -0.329 14.419 1.00 0.00 N ATOM 436 CA GLN A 93 -5.233 -0.924 15.193 1.00 0.00 C ATOM 437 C GLN A 93 -4.228 -1.618 14.280 1.00 0.00 C ATOM 438 O GLN A 93 -4.607 -2.361 13.375 1.00 0.00 O ATOM 439 CB GLN A 93 -5.793 -1.923 16.207 1.00 0.00 C ATOM 440 CG GLN A 93 -6.671 -1.284 17.270 1.00 0.00 C ATOM 441 CD GLN A 93 -8.118 -1.159 16.834 1.00 0.00 C ATOM 442 OE1 GLN A 93 -8.485 -0.222 16.124 1.00 0.00 O ATOM 443 NE2 GLN A 93 -8.948 -2.104 17.258 1.00 0.00 N ATOM 0 H GLN A 93 -7.042 -0.986 14.135 1.00 0.00 H new ATOM 0 HA GLN A 93 -4.719 -0.124 15.726 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -6.371 -2.680 15.677 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -4.964 -2.437 16.693 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -6.621 -1.878 18.183 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -6.281 -0.295 17.511 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -8.600 -2.862 17.845 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -9.933 -2.072 16.997 1.00 0.00 H new ATOM 452 N TRP A 94 -2.946 -1.370 14.523 1.00 0.00 N ATOM 453 CA TRP A 94 -1.886 -1.971 13.721 1.00 0.00 C ATOM 454 C TRP A 94 -2.198 -3.431 13.413 1.00 0.00 C ATOM 455 O TRP A 94 -2.123 -3.861 12.262 1.00 0.00 O ATOM 456 CB TRP A 94 -0.546 -1.866 14.450 1.00 0.00 C ATOM 457 CG TRP A 94 0.637 -1.976 13.536 1.00 0.00 C ATOM 458 CD1 TRP A 94 1.238 -3.126 13.108 1.00 0.00 C ATOM 459 CD2 TRP A 94 1.364 -0.896 12.940 1.00 0.00 C ATOM 460 NE1 TRP A 94 2.294 -2.825 12.282 1.00 0.00 N ATOM 461 CE2 TRP A 94 2.392 -1.464 12.162 1.00 0.00 C ATOM 462 CE3 TRP A 94 1.245 0.496 12.986 1.00 0.00 C ATOM 463 CZ2 TRP A 94 3.293 -0.688 11.439 1.00 0.00 C ATOM 464 CZ3 TRP A 94 2.141 1.264 12.268 1.00 0.00 C ATOM 465 CH2 TRP A 94 3.154 0.672 11.503 1.00 0.00 C ATOM 0 H TRP A 94 -2.615 -0.757 15.268 1.00 0.00 H new ATOM 0 HA TRP A 94 -1.823 -1.426 12.779 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -0.501 -0.913 14.978 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -0.488 -2.651 15.204 1.00 0.00 H new ATOM 0 HD1 TRP A 94 0.929 -4.125 13.379 1.00 0.00 H new ATOM 0 HE1 TRP A 94 2.906 -3.505 11.831 1.00 0.00 H new ATOM 0 HE3 TRP A 94 0.467 0.962 13.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 4.074 -1.143 10.848 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 2.059 2.340 12.297 1.00 0.00 H new ATOM 0 HH2 TRP A 94 3.839 1.301 10.953 1.00 0.00 H new ATOM 476 N GLU A 95 -2.548 -4.188 14.448 1.00 0.00 N ATOM 477 CA GLU A 95 -2.871 -5.601 14.285 1.00 0.00 C ATOM 478 C GLU A 95 -3.639 -5.838 12.988 1.00 0.00 C ATOM 479 O GLU A 95 -3.255 -6.673 12.170 1.00 0.00 O ATOM 480 CB GLU A 95 -3.692 -6.100 15.476 1.00 0.00 C ATOM 481 CG GLU A 95 -4.959 -5.297 15.721 1.00 0.00 C ATOM 482 CD GLU A 95 -5.464 -5.423 17.145 1.00 0.00 C ATOM 483 OE1 GLU A 95 -4.683 -5.146 18.079 1.00 0.00 O ATOM 484 OE2 GLU A 95 -6.641 -5.799 17.325 1.00 0.00 O ATOM 0 H GLU A 95 -2.615 -3.847 15.407 1.00 0.00 H new ATOM 0 HA GLU A 95 -1.935 -6.158 14.239 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.960 -7.144 15.310 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -3.073 -6.068 16.372 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -4.768 -4.247 15.499 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.735 -5.632 15.033 1.00 0.00 H new ATOM 491 N VAL A 96 -4.728 -5.097 12.809 1.00 0.00 N ATOM 492 CA VAL A 96 -5.551 -5.225 11.612 1.00 0.00 C ATOM 493 C VAL A 96 -4.725 -5.002 10.351 1.00 0.00 C ATOM 494 O VAL A 96 -4.833 -5.757 9.383 1.00 0.00 O ATOM 495 CB VAL A 96 -6.724 -4.227 11.628 1.00 0.00 C ATOM 496 CG1 VAL A 96 -7.560 -4.364 10.365 1.00 0.00 C ATOM 497 CG2 VAL A 96 -7.581 -4.431 12.868 1.00 0.00 C ATOM 0 H VAL A 96 -5.061 -4.402 13.477 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.948 -6.240 11.608 1.00 0.00 H new ATOM 0 HB VAL A 96 -6.317 -3.216 11.658 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -8.384 -3.651 10.395 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -6.938 -4.163 9.493 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -7.959 -5.376 10.301 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -8.405 -3.717 12.862 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.980 -5.445 12.872 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -6.973 -4.277 13.760 1.00 0.00 H new ATOM 507 N LEU A 97 -3.900 -3.961 10.367 1.00 0.00 N ATOM 508 CA LEU A 97 -3.054 -3.638 9.224 1.00 0.00 C ATOM 509 C LEU A 97 -2.253 -4.857 8.777 1.00 0.00 C ATOM 510 O LEU A 97 -2.433 -5.358 7.667 1.00 0.00 O ATOM 511 CB LEU A 97 -2.105 -2.491 9.575 1.00 0.00 C ATOM 512 CG LEU A 97 -1.167 -2.030 8.458 1.00 0.00 C ATOM 513 CD1 LEU A 97 -1.964 -1.472 7.289 1.00 0.00 C ATOM 514 CD2 LEU A 97 -0.186 -0.990 8.981 1.00 0.00 C ATOM 0 H LEU A 97 -3.799 -3.326 11.159 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.699 -3.329 8.402 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.702 -1.637 9.896 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.499 -2.795 10.428 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.600 -2.892 8.107 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.280 -1.149 6.504 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.626 -2.245 6.898 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.557 -0.622 7.626 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.474 -0.673 8.173 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.736 -0.128 9.359 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.408 -1.423 9.786 1.00 0.00 H new ATOM 526 N ASP A 98 -1.370 -5.331 9.650 1.00 0.00 N ATOM 527 CA ASP A 98 -0.544 -6.494 9.347 1.00 0.00 C ATOM 528 C ASP A 98 -1.309 -7.494 8.486 1.00 0.00 C ATOM 529 O ASP A 98 -0.835 -7.908 7.428 1.00 0.00 O ATOM 530 CB ASP A 98 -0.078 -7.165 10.639 1.00 0.00 C ATOM 531 CG ASP A 98 1.211 -7.942 10.456 1.00 0.00 C ATOM 532 OD1 ASP A 98 2.145 -7.401 9.828 1.00 0.00 O ATOM 533 OD2 ASP A 98 1.286 -9.091 10.940 1.00 0.00 O ATOM 0 H ASP A 98 -1.208 -4.928 10.573 1.00 0.00 H new ATOM 0 HA ASP A 98 0.328 -6.154 8.789 1.00 0.00 H new ATOM 0 HB2 ASP A 98 0.065 -6.406 11.408 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -0.857 -7.838 10.997 1.00 0.00 H new ATOM 538 N SER A 99 -2.494 -7.881 8.948 1.00 0.00 N ATOM 539 CA SER A 99 -3.322 -8.837 8.223 1.00 0.00 C ATOM 540 C SER A 99 -3.659 -8.317 6.829 1.00 0.00 C ATOM 541 O SER A 99 -3.430 -8.997 5.828 1.00 0.00 O ATOM 542 CB SER A 99 -4.610 -9.119 8.999 1.00 0.00 C ATOM 543 OG SER A 99 -5.251 -10.287 8.517 1.00 0.00 O ATOM 0 H SER A 99 -2.902 -7.547 9.821 1.00 0.00 H new ATOM 0 HA SER A 99 -2.758 -9.764 8.119 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.382 -9.237 10.058 1.00 0.00 H new ATOM 0 HB3 SER A 99 -5.285 -8.268 8.911 1.00 0.00 H new ATOM 0 HG SER A 99 -5.751 -10.073 7.702 1.00 0.00 H new ATOM 549 N LEU A 100 -4.204 -7.106 6.772 1.00 0.00 N ATOM 550 CA LEU A 100 -4.572 -6.493 5.501 1.00 0.00 C ATOM 551 C LEU A 100 -3.425 -6.581 4.500 1.00 0.00 C ATOM 552 O LEU A 100 -3.646 -6.673 3.292 1.00 0.00 O ATOM 553 CB LEU A 100 -4.967 -5.030 5.713 1.00 0.00 C ATOM 554 CG LEU A 100 -6.368 -4.788 6.277 1.00 0.00 C ATOM 555 CD1 LEU A 100 -6.472 -3.389 6.864 1.00 0.00 C ATOM 556 CD2 LEU A 100 -7.420 -4.996 5.198 1.00 0.00 C ATOM 0 H LEU A 100 -4.400 -6.530 7.591 1.00 0.00 H new ATOM 0 HA LEU A 100 -5.425 -7.039 5.097 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -4.242 -4.573 6.386 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.887 -4.511 4.758 1.00 0.00 H new ATOM 0 HG LEU A 100 -6.548 -5.509 7.075 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.475 -3.234 7.261 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -5.743 -3.276 7.667 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -6.272 -2.652 6.086 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.411 -4.820 5.617 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.243 -4.299 4.378 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.361 -6.018 4.824 1.00 0.00 H new ATOM 568 N LEU A 101 -2.199 -6.556 5.010 1.00 0.00 N ATOM 569 CA LEU A 101 -1.015 -6.635 4.161 1.00 0.00 C ATOM 570 C LEU A 101 -0.824 -8.050 3.624 1.00 0.00 C ATOM 571 O LEU A 101 -0.994 -8.301 2.431 1.00 0.00 O ATOM 572 CB LEU A 101 0.227 -6.202 4.942 1.00 0.00 C ATOM 573 CG LEU A 101 0.118 -4.875 5.693 1.00 0.00 C ATOM 574 CD1 LEU A 101 1.286 -4.707 6.653 1.00 0.00 C ATOM 575 CD2 LEU A 101 0.058 -3.711 4.714 1.00 0.00 C ATOM 0 H LEU A 101 -1.998 -6.482 6.007 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.158 -5.961 3.316 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.471 -6.984 5.661 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.064 -6.136 4.247 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.804 -4.883 6.274 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.191 -3.757 7.179 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.283 -5.523 7.376 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.221 -4.721 6.094 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -0.019 -2.775 5.266 1.00 0.00 H new ATOM 0 HD22 LEU A 101 0.963 -3.700 4.106 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.812 -3.824 4.067 1.00 0.00 H new ATOM 587 N VAL A 102 -0.471 -8.973 4.514 1.00 0.00 N ATOM 588 CA VAL A 102 -0.261 -10.364 4.131 1.00 0.00 C ATOM 589 C VAL A 102 -1.405 -10.873 3.261 1.00 0.00 C ATOM 590 O VAL A 102 -1.184 -11.603 2.295 1.00 0.00 O ATOM 591 CB VAL A 102 -0.126 -11.272 5.367 1.00 0.00 C ATOM 592 CG1 VAL A 102 1.229 -11.074 6.030 1.00 0.00 C ATOM 593 CG2 VAL A 102 -1.255 -11.004 6.351 1.00 0.00 C ATOM 0 H VAL A 102 -0.325 -8.782 5.505 1.00 0.00 H new ATOM 0 HA VAL A 102 0.668 -10.399 3.561 1.00 0.00 H new ATOM 0 HB VAL A 102 -0.197 -12.310 5.043 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.306 -11.724 6.902 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.020 -11.321 5.322 1.00 0.00 H new ATOM 0 HG13 VAL A 102 1.333 -10.035 6.342 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -1.144 -11.655 7.218 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -1.219 -9.963 6.671 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -2.212 -11.202 5.869 1.00 0.00 H new ATOM 603 N GLN A 103 -2.626 -10.483 3.612 1.00 0.00 N ATOM 604 CA GLN A 103 -3.805 -10.901 2.862 1.00 0.00 C ATOM 605 C GLN A 103 -3.560 -10.801 1.361 1.00 0.00 C ATOM 606 O GLN A 103 -3.806 -11.750 0.616 1.00 0.00 O ATOM 607 CB GLN A 103 -5.012 -10.047 3.252 1.00 0.00 C ATOM 608 CG GLN A 103 -5.662 -10.473 4.559 1.00 0.00 C ATOM 609 CD GLN A 103 -6.636 -9.439 5.091 1.00 0.00 C ATOM 610 OE1 GLN A 103 -6.468 -8.923 6.196 1.00 0.00 O ATOM 611 NE2 GLN A 103 -7.661 -9.132 4.305 1.00 0.00 N ATOM 0 H GLN A 103 -2.825 -9.879 4.410 1.00 0.00 H new ATOM 0 HA GLN A 103 -4.011 -11.943 3.109 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -4.699 -9.006 3.334 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -5.753 -10.095 2.455 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -6.186 -11.417 4.409 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -4.887 -10.654 5.304 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -7.761 -9.585 3.397 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -8.349 -8.443 4.610 1.00 0.00 H new ATOM 620 N TYR A 104 -3.074 -9.645 0.922 1.00 0.00 N ATOM 621 CA TYR A 104 -2.798 -9.419 -0.492 1.00 0.00 C ATOM 622 C TYR A 104 -1.716 -10.369 -0.994 1.00 0.00 C ATOM 623 O TYR A 104 -1.905 -11.077 -1.983 1.00 0.00 O ATOM 624 CB TYR A 104 -2.368 -7.969 -0.724 1.00 0.00 C ATOM 625 CG TYR A 104 -3.464 -6.962 -0.458 1.00 0.00 C ATOM 626 CD1 TYR A 104 -4.521 -6.805 -1.345 1.00 0.00 C ATOM 627 CD2 TYR A 104 -3.442 -6.168 0.682 1.00 0.00 C ATOM 628 CE1 TYR A 104 -5.524 -5.886 -1.107 1.00 0.00 C ATOM 629 CE2 TYR A 104 -4.442 -5.247 0.930 1.00 0.00 C ATOM 630 CZ TYR A 104 -5.480 -5.109 0.032 1.00 0.00 C ATOM 631 OH TYR A 104 -6.478 -4.193 0.274 1.00 0.00 O ATOM 0 H TYR A 104 -2.863 -8.850 1.525 1.00 0.00 H new ATOM 0 HA TYR A 104 -3.714 -9.613 -1.051 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -1.516 -7.744 -0.082 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -2.028 -7.860 -1.754 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -4.559 -7.413 -2.237 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -2.630 -6.272 1.386 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -6.338 -5.776 -1.808 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -4.411 -4.639 1.822 1.00 0.00 H new ATOM 0 HH TYR A 104 -6.437 -3.904 1.209 1.00 0.00 H new ATOM 641 N GLY A 105 -0.580 -10.380 -0.304 1.00 0.00 N ATOM 642 CA GLY A 105 0.517 -11.247 -0.694 1.00 0.00 C ATOM 643 C GLY A 105 1.492 -11.493 0.440 1.00 0.00 C ATOM 644 O GLY A 105 1.149 -11.327 1.611 1.00 0.00 O ATOM 0 H GLY A 105 -0.399 -9.804 0.518 1.00 0.00 H new ATOM 0 HA2 GLY A 105 0.117 -12.201 -1.039 1.00 0.00 H new ATOM 0 HA3 GLY A 105 1.048 -10.801 -1.535 1.00 0.00 H new ATOM 648 N VAL A 106 2.712 -11.893 0.094 1.00 0.00 N ATOM 649 CA VAL A 106 3.740 -12.164 1.091 1.00 0.00 C ATOM 650 C VAL A 106 4.582 -10.923 1.364 1.00 0.00 C ATOM 651 O VAL A 106 5.563 -10.660 0.668 1.00 0.00 O ATOM 652 CB VAL A 106 4.665 -13.312 0.646 1.00 0.00 C ATOM 653 CG1 VAL A 106 5.734 -13.575 1.696 1.00 0.00 C ATOM 654 CG2 VAL A 106 3.857 -14.571 0.369 1.00 0.00 C ATOM 0 H VAL A 106 3.012 -12.036 -0.870 1.00 0.00 H new ATOM 0 HA VAL A 106 3.224 -12.457 2.005 1.00 0.00 H new ATOM 0 HB VAL A 106 5.162 -13.017 -0.278 1.00 0.00 H new ATOM 0 HG11 VAL A 106 6.378 -14.389 1.364 1.00 0.00 H new ATOM 0 HG12 VAL A 106 6.332 -12.675 1.840 1.00 0.00 H new ATOM 0 HG13 VAL A 106 5.259 -13.849 2.638 1.00 0.00 H new ATOM 0 HG21 VAL A 106 4.527 -15.372 0.056 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.330 -14.872 1.275 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.134 -14.373 -0.422 1.00 0.00 H new ATOM 664 N VAL A 107 4.193 -10.162 2.382 1.00 0.00 N ATOM 665 CA VAL A 107 4.913 -8.948 2.748 1.00 0.00 C ATOM 666 C VAL A 107 6.269 -9.278 3.361 1.00 0.00 C ATOM 667 O VAL A 107 6.347 -9.900 4.419 1.00 0.00 O ATOM 668 CB VAL A 107 4.105 -8.095 3.744 1.00 0.00 C ATOM 669 CG1 VAL A 107 3.669 -8.935 4.935 1.00 0.00 C ATOM 670 CG2 VAL A 107 4.919 -6.893 4.198 1.00 0.00 C ATOM 0 H VAL A 107 3.383 -10.365 2.968 1.00 0.00 H new ATOM 0 HA VAL A 107 5.061 -8.378 1.831 1.00 0.00 H new ATOM 0 HB VAL A 107 3.210 -7.729 3.241 1.00 0.00 H new ATOM 0 HG11 VAL A 107 3.099 -8.316 5.628 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.046 -9.760 4.590 1.00 0.00 H new ATOM 0 HG13 VAL A 107 4.549 -9.332 5.442 1.00 0.00 H new ATOM 0 HG21 VAL A 107 4.333 -6.301 4.901 1.00 0.00 H new ATOM 0 HG22 VAL A 107 5.832 -7.235 4.685 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.176 -6.280 3.334 1.00 0.00 H new ATOM 680 N GLU A 108 7.335 -8.855 2.688 1.00 0.00 N ATOM 681 CA GLU A 108 8.689 -9.106 3.167 1.00 0.00 C ATOM 682 C GLU A 108 8.943 -8.379 4.485 1.00 0.00 C ATOM 683 O GLU A 108 9.429 -8.971 5.449 1.00 0.00 O ATOM 684 CB GLU A 108 9.714 -8.662 2.122 1.00 0.00 C ATOM 685 CG GLU A 108 11.003 -9.467 2.154 1.00 0.00 C ATOM 686 CD GLU A 108 11.655 -9.469 3.523 1.00 0.00 C ATOM 687 OE1 GLU A 108 12.376 -8.500 3.839 1.00 0.00 O ATOM 688 OE2 GLU A 108 11.443 -10.441 4.278 1.00 0.00 O ATOM 0 H GLU A 108 7.287 -8.337 1.810 1.00 0.00 H new ATOM 0 HA GLU A 108 8.794 -10.178 3.336 1.00 0.00 H new ATOM 0 HB2 GLU A 108 9.269 -8.744 1.131 1.00 0.00 H new ATOM 0 HB3 GLU A 108 9.949 -7.609 2.280 1.00 0.00 H new ATOM 0 HG2 GLU A 108 10.793 -10.494 1.854 1.00 0.00 H new ATOM 0 HG3 GLU A 108 11.701 -9.058 1.424 1.00 0.00 H new ATOM 695 N SER A 109 8.611 -7.093 4.518 1.00 0.00 N ATOM 696 CA SER A 109 8.807 -6.283 5.715 1.00 0.00 C ATOM 697 C SER A 109 7.958 -5.017 5.660 1.00 0.00 C ATOM 698 O SER A 109 7.806 -4.404 4.602 1.00 0.00 O ATOM 699 CB SER A 109 10.283 -5.914 5.871 1.00 0.00 C ATOM 700 OG SER A 109 10.536 -5.346 7.145 1.00 0.00 O ATOM 0 H SER A 109 8.205 -6.589 3.730 1.00 0.00 H new ATOM 0 HA SER A 109 8.494 -6.872 6.577 1.00 0.00 H new ATOM 0 HB2 SER A 109 10.899 -6.803 5.737 1.00 0.00 H new ATOM 0 HB3 SER A 109 10.569 -5.208 5.091 1.00 0.00 H new ATOM 0 HG SER A 109 11.487 -5.121 7.220 1.00 0.00 H new ATOM 706 N CYS A 110 7.406 -4.632 6.805 1.00 0.00 N ATOM 707 CA CYS A 110 6.571 -3.439 6.888 1.00 0.00 C ATOM 708 C CYS A 110 7.262 -2.346 7.697 1.00 0.00 C ATOM 709 O CYS A 110 7.247 -2.368 8.927 1.00 0.00 O ATOM 710 CB CYS A 110 5.220 -3.780 7.519 1.00 0.00 C ATOM 711 SG CYS A 110 4.120 -2.359 7.721 1.00 0.00 S ATOM 0 H CYS A 110 7.521 -5.128 7.689 1.00 0.00 H new ATOM 0 HA CYS A 110 6.408 -3.069 5.876 1.00 0.00 H new ATOM 0 HB2 CYS A 110 4.721 -4.527 6.902 1.00 0.00 H new ATOM 0 HB3 CYS A 110 5.391 -4.235 8.495 1.00 0.00 H new ATOM 0 HG CYS A 110 3.003 -2.748 8.260 1.00 0.00 H new ATOM 717 N GLU A 111 7.870 -1.393 6.997 1.00 0.00 N ATOM 718 CA GLU A 111 8.569 -0.294 7.651 1.00 0.00 C ATOM 719 C GLU A 111 7.615 0.862 7.941 1.00 0.00 C ATOM 720 O GLU A 111 6.625 1.054 7.237 1.00 0.00 O ATOM 721 CB GLU A 111 9.728 0.194 6.779 1.00 0.00 C ATOM 722 CG GLU A 111 10.690 1.118 7.507 1.00 0.00 C ATOM 723 CD GLU A 111 11.561 0.383 8.507 1.00 0.00 C ATOM 724 OE1 GLU A 111 11.921 -0.781 8.237 1.00 0.00 O ATOM 725 OE2 GLU A 111 11.881 0.972 9.561 1.00 0.00 O ATOM 0 H GLU A 111 7.892 -1.360 5.978 1.00 0.00 H new ATOM 0 HA GLU A 111 8.965 -0.662 8.597 1.00 0.00 H new ATOM 0 HB2 GLU A 111 10.279 -0.669 6.405 1.00 0.00 H new ATOM 0 HB3 GLU A 111 9.324 0.715 5.911 1.00 0.00 H new ATOM 0 HG2 GLU A 111 11.325 1.622 6.779 1.00 0.00 H new ATOM 0 HG3 GLU A 111 10.123 1.892 8.024 1.00 0.00 H new ATOM 732 N GLN A 112 7.923 1.628 8.983 1.00 0.00 N ATOM 733 CA GLN A 112 7.093 2.763 9.367 1.00 0.00 C ATOM 734 C GLN A 112 7.600 4.050 8.725 1.00 0.00 C ATOM 735 O GLN A 112 8.790 4.188 8.441 1.00 0.00 O ATOM 736 CB GLN A 112 7.069 2.914 10.889 1.00 0.00 C ATOM 737 CG GLN A 112 6.102 3.979 11.381 1.00 0.00 C ATOM 738 CD GLN A 112 5.559 3.680 12.764 1.00 0.00 C ATOM 739 OE1 GLN A 112 6.264 3.137 13.616 1.00 0.00 O ATOM 740 NE2 GLN A 112 4.301 4.034 12.996 1.00 0.00 N ATOM 0 H GLN A 112 8.740 1.483 9.576 1.00 0.00 H new ATOM 0 HA GLN A 112 6.080 2.576 9.012 1.00 0.00 H new ATOM 0 HB2 GLN A 112 6.800 1.957 11.336 1.00 0.00 H new ATOM 0 HB3 GLN A 112 8.073 3.158 11.237 1.00 0.00 H new ATOM 0 HG2 GLN A 112 6.607 4.945 11.394 1.00 0.00 H new ATOM 0 HG3 GLN A 112 5.272 4.063 10.679 1.00 0.00 H new ATOM 0 HE21 GLN A 112 3.753 4.482 12.261 1.00 0.00 H new ATOM 0 HE22 GLN A 112 3.882 3.859 13.909 1.00 0.00 H new ATOM 749 N VAL A 113 6.689 4.991 8.497 1.00 0.00 N ATOM 750 CA VAL A 113 7.044 6.268 7.889 1.00 0.00 C ATOM 751 C VAL A 113 6.105 7.377 8.351 1.00 0.00 C ATOM 752 O VAL A 113 5.008 7.111 8.839 1.00 0.00 O ATOM 753 CB VAL A 113 7.008 6.187 6.351 1.00 0.00 C ATOM 754 CG1 VAL A 113 7.399 7.522 5.736 1.00 0.00 C ATOM 755 CG2 VAL A 113 7.920 5.074 5.856 1.00 0.00 C ATOM 0 H VAL A 113 5.699 4.893 8.724 1.00 0.00 H new ATOM 0 HA VAL A 113 8.060 6.499 8.209 1.00 0.00 H new ATOM 0 HB VAL A 113 5.989 5.957 6.040 1.00 0.00 H new ATOM 0 HG11 VAL A 113 7.368 7.445 4.649 1.00 0.00 H new ATOM 0 HG12 VAL A 113 6.702 8.292 6.065 1.00 0.00 H new ATOM 0 HG13 VAL A 113 8.408 7.787 6.052 1.00 0.00 H new ATOM 0 HG21 VAL A 113 7.883 5.030 4.768 1.00 0.00 H new ATOM 0 HG22 VAL A 113 8.943 5.272 6.177 1.00 0.00 H new ATOM 0 HG23 VAL A 113 7.588 4.121 6.269 1.00 0.00 H new ATOM 765 N ASN A 114 6.544 8.621 8.191 1.00 0.00 N ATOM 766 CA ASN A 114 5.743 9.772 8.592 1.00 0.00 C ATOM 767 C ASN A 114 5.858 10.898 7.569 1.00 0.00 C ATOM 768 O ASN A 114 6.920 11.502 7.410 1.00 0.00 O ATOM 769 CB ASN A 114 6.183 10.272 9.969 1.00 0.00 C ATOM 770 CG ASN A 114 5.408 9.618 11.097 1.00 0.00 C ATOM 771 OD1 ASN A 114 5.652 8.330 11.312 1.00 0.00 O flip ATOM 772 ND2 ASN A 114 4.601 10.263 11.766 1.00 0.00 N flip ATOM 0 H ASN A 114 7.450 8.858 7.787 1.00 0.00 H new ATOM 0 HA ASN A 114 4.701 9.457 8.644 1.00 0.00 H new ATOM 0 HB2 ASN A 114 7.247 10.075 10.101 1.00 0.00 H new ATOM 0 HB3 ASN A 114 6.050 11.353 10.020 1.00 0.00 H new ATOM 0 HD21 ASN A 114 4.446 11.251 11.565 1.00 0.00 H new ATOM 0 HD22 ASN A 114 4.087 9.810 12.522 1.00 0.00 H new ATOM 779 N THR A 115 4.758 11.176 6.876 1.00 0.00 N ATOM 780 CA THR A 115 4.735 12.228 5.868 1.00 0.00 C ATOM 781 C THR A 115 4.293 13.557 6.471 1.00 0.00 C ATOM 782 O THR A 115 3.826 14.447 5.760 1.00 0.00 O ATOM 783 CB THR A 115 3.795 11.869 4.702 1.00 0.00 C ATOM 784 OG1 THR A 115 4.020 12.756 3.600 1.00 0.00 O ATOM 785 CG2 THR A 115 2.339 11.950 5.135 1.00 0.00 C ATOM 0 H THR A 115 3.871 10.687 6.995 1.00 0.00 H new ATOM 0 HA THR A 115 5.752 12.324 5.488 1.00 0.00 H new ATOM 0 HB THR A 115 4.009 10.846 4.394 1.00 0.00 H new ATOM 0 HG1 THR A 115 4.038 13.681 3.923 1.00 0.00 H new ATOM 0 HG21 THR A 115 1.695 11.692 4.295 1.00 0.00 H new ATOM 0 HG22 THR A 115 2.164 11.252 5.954 1.00 0.00 H new ATOM 0 HG23 THR A 115 2.114 12.963 5.467 1.00 0.00 H new ATOM 793 N ASP A 116 4.445 13.685 7.784 1.00 0.00 N ATOM 794 CA ASP A 116 4.063 14.907 8.483 1.00 0.00 C ATOM 795 C ASP A 116 2.572 15.183 8.319 1.00 0.00 C ATOM 796 O ASP A 116 2.157 16.330 8.154 1.00 0.00 O ATOM 797 CB ASP A 116 4.874 16.094 7.959 1.00 0.00 C ATOM 798 CG ASP A 116 4.755 17.314 8.850 1.00 0.00 C ATOM 799 OD1 ASP A 116 4.931 17.171 10.078 1.00 0.00 O ATOM 800 OD2 ASP A 116 4.486 18.413 8.320 1.00 0.00 O ATOM 0 H ASP A 116 4.830 12.958 8.386 1.00 0.00 H new ATOM 0 HA ASP A 116 4.275 14.771 9.544 1.00 0.00 H new ATOM 0 HB2 ASP A 116 5.922 15.807 7.879 1.00 0.00 H new ATOM 0 HB3 ASP A 116 4.535 16.347 6.954 1.00 0.00 H new ATOM 805 N SER A 117 1.770 14.123 8.366 1.00 0.00 N ATOM 806 CA SER A 117 0.325 14.251 8.218 1.00 0.00 C ATOM 807 C SER A 117 -0.403 13.503 9.331 1.00 0.00 C ATOM 808 O SER A 117 0.045 12.448 9.779 1.00 0.00 O ATOM 809 CB SER A 117 -0.118 13.717 6.854 1.00 0.00 C ATOM 810 OG SER A 117 0.304 14.575 5.809 1.00 0.00 O ATOM 0 H SER A 117 2.097 13.167 8.505 1.00 0.00 H new ATOM 0 HA SER A 117 0.069 15.308 8.287 1.00 0.00 H new ATOM 0 HB2 SER A 117 0.294 12.720 6.699 1.00 0.00 H new ATOM 0 HB3 SER A 117 -1.203 13.620 6.833 1.00 0.00 H new ATOM 0 HG SER A 117 0.010 14.211 4.948 1.00 0.00 H new ATOM 816 N GLU A 118 -1.527 14.058 9.771 1.00 0.00 N ATOM 817 CA GLU A 118 -2.317 13.444 10.832 1.00 0.00 C ATOM 818 C GLU A 118 -2.397 11.932 10.645 1.00 0.00 C ATOM 819 O GLU A 118 -1.968 11.164 11.507 1.00 0.00 O ATOM 820 CB GLU A 118 -3.726 14.041 10.860 1.00 0.00 C ATOM 821 CG GLU A 118 -3.786 15.430 11.473 1.00 0.00 C ATOM 822 CD GLU A 118 -3.150 16.486 10.591 1.00 0.00 C ATOM 823 OE1 GLU A 118 -3.562 16.607 9.419 1.00 0.00 O ATOM 824 OE2 GLU A 118 -2.238 17.191 11.074 1.00 0.00 O ATOM 0 H GLU A 118 -1.911 14.931 9.410 1.00 0.00 H new ATOM 0 HA GLU A 118 -1.824 13.650 11.782 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -4.113 14.085 9.842 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -4.382 13.376 11.422 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -4.827 15.696 11.659 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -3.282 15.418 12.440 1.00 0.00 H new ATOM 831 N THR A 119 -2.951 11.510 9.512 1.00 0.00 N ATOM 832 CA THR A 119 -3.090 10.090 9.212 1.00 0.00 C ATOM 833 C THR A 119 -1.755 9.367 9.344 1.00 0.00 C ATOM 834 O THR A 119 -0.693 9.980 9.240 1.00 0.00 O ATOM 835 CB THR A 119 -3.643 9.868 7.791 1.00 0.00 C ATOM 836 OG1 THR A 119 -2.789 10.497 6.829 1.00 0.00 O ATOM 837 CG2 THR A 119 -5.053 10.426 7.666 1.00 0.00 C ATOM 0 H THR A 119 -3.311 12.131 8.787 1.00 0.00 H new ATOM 0 HA THR A 119 -3.794 9.681 9.936 1.00 0.00 H new ATOM 0 HB THR A 119 -3.675 8.795 7.601 1.00 0.00 H new ATOM 0 HG1 THR A 119 -3.282 10.633 5.993 1.00 0.00 H new ATOM 0 HG21 THR A 119 -5.423 10.258 6.654 1.00 0.00 H new ATOM 0 HG22 THR A 119 -5.707 9.925 8.379 1.00 0.00 H new ATOM 0 HG23 THR A 119 -5.041 11.496 7.875 1.00 0.00 H new ATOM 845 N ALA A 120 -1.816 8.060 9.574 1.00 0.00 N ATOM 846 CA ALA A 120 -0.611 7.253 9.718 1.00 0.00 C ATOM 847 C ALA A 120 -0.003 6.927 8.358 1.00 0.00 C ATOM 848 O ALA A 120 -0.705 6.879 7.348 1.00 0.00 O ATOM 849 CB ALA A 120 -0.920 5.973 10.480 1.00 0.00 C ATOM 0 H ALA A 120 -2.687 7.537 9.665 1.00 0.00 H new ATOM 0 HA ALA A 120 0.118 7.832 10.284 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -0.011 5.380 10.580 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -1.301 6.222 11.470 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -1.670 5.398 9.937 1.00 0.00 H new ATOM 855 N VAL A 121 1.307 6.703 8.339 1.00 0.00 N ATOM 856 CA VAL A 121 2.010 6.381 7.102 1.00 0.00 C ATOM 857 C VAL A 121 2.961 5.207 7.301 1.00 0.00 C ATOM 858 O VAL A 121 3.642 5.111 8.322 1.00 0.00 O ATOM 859 CB VAL A 121 2.807 7.590 6.578 1.00 0.00 C ATOM 860 CG1 VAL A 121 3.485 7.252 5.260 1.00 0.00 C ATOM 861 CG2 VAL A 121 1.898 8.801 6.425 1.00 0.00 C ATOM 0 H VAL A 121 1.903 6.738 9.166 1.00 0.00 H new ATOM 0 HA VAL A 121 1.251 6.110 6.368 1.00 0.00 H new ATOM 0 HB VAL A 121 3.582 7.835 7.305 1.00 0.00 H new ATOM 0 HG11 VAL A 121 4.043 8.118 4.905 1.00 0.00 H new ATOM 0 HG12 VAL A 121 4.168 6.415 5.406 1.00 0.00 H new ATOM 0 HG13 VAL A 121 2.730 6.980 4.522 1.00 0.00 H new ATOM 0 HG21 VAL A 121 2.477 9.646 6.054 1.00 0.00 H new ATOM 0 HG22 VAL A 121 1.100 8.570 5.719 1.00 0.00 H new ATOM 0 HG23 VAL A 121 1.465 9.055 7.392 1.00 0.00 H new ATOM 871 N VAL A 122 3.004 4.314 6.316 1.00 0.00 N ATOM 872 CA VAL A 122 3.874 3.146 6.381 1.00 0.00 C ATOM 873 C VAL A 122 4.286 2.689 4.987 1.00 0.00 C ATOM 874 O VAL A 122 3.695 3.099 3.989 1.00 0.00 O ATOM 875 CB VAL A 122 3.188 1.975 7.111 1.00 0.00 C ATOM 876 CG1 VAL A 122 2.868 2.356 8.549 1.00 0.00 C ATOM 877 CG2 VAL A 122 1.929 1.551 6.371 1.00 0.00 C ATOM 0 H VAL A 122 2.446 4.378 5.464 1.00 0.00 H new ATOM 0 HA VAL A 122 4.761 3.443 6.940 1.00 0.00 H new ATOM 0 HB VAL A 122 3.874 1.128 7.129 1.00 0.00 H new ATOM 0 HG11 VAL A 122 2.384 1.517 9.049 1.00 0.00 H new ATOM 0 HG12 VAL A 122 3.790 2.607 9.073 1.00 0.00 H new ATOM 0 HG13 VAL A 122 2.200 3.217 8.557 1.00 0.00 H new ATOM 0 HG21 VAL A 122 1.457 0.723 6.900 1.00 0.00 H new ATOM 0 HG22 VAL A 122 1.236 2.391 6.320 1.00 0.00 H new ATOM 0 HG23 VAL A 122 2.190 1.234 5.361 1.00 0.00 H new ATOM 887 N ASN A 123 5.304 1.836 4.926 1.00 0.00 N ATOM 888 CA ASN A 123 5.795 1.323 3.652 1.00 0.00 C ATOM 889 C ASN A 123 5.768 -0.203 3.634 1.00 0.00 C ATOM 890 O ASN A 123 6.384 -0.856 4.477 1.00 0.00 O ATOM 891 CB ASN A 123 7.218 1.822 3.392 1.00 0.00 C ATOM 892 CG ASN A 123 7.249 3.264 2.924 1.00 0.00 C ATOM 893 OD1 ASN A 123 6.218 3.833 2.563 1.00 0.00 O ATOM 894 ND2 ASN A 123 8.434 3.863 2.929 1.00 0.00 N ATOM 0 H ASN A 123 5.804 1.486 5.743 1.00 0.00 H new ATOM 0 HA ASN A 123 5.139 1.690 2.863 1.00 0.00 H new ATOM 0 HB2 ASN A 123 7.806 1.727 4.305 1.00 0.00 H new ATOM 0 HB3 ASN A 123 7.690 1.189 2.641 1.00 0.00 H new ATOM 0 HD21 ASN A 123 8.516 4.833 2.626 1.00 0.00 H new ATOM 0 HD22 ASN A 123 9.262 3.353 3.236 1.00 0.00 H new ATOM 901 N VAL A 124 5.051 -0.765 2.666 1.00 0.00 N ATOM 902 CA VAL A 124 4.945 -2.213 2.536 1.00 0.00 C ATOM 903 C VAL A 124 5.921 -2.744 1.493 1.00 0.00 C ATOM 904 O VAL A 124 5.962 -2.262 0.360 1.00 0.00 O ATOM 905 CB VAL A 124 3.516 -2.638 2.149 1.00 0.00 C ATOM 906 CG1 VAL A 124 3.433 -4.149 1.990 1.00 0.00 C ATOM 907 CG2 VAL A 124 2.515 -2.147 3.184 1.00 0.00 C ATOM 0 H VAL A 124 4.535 -0.239 1.960 1.00 0.00 H new ATOM 0 HA VAL A 124 5.192 -2.637 3.509 1.00 0.00 H new ATOM 0 HB VAL A 124 3.267 -2.181 1.191 1.00 0.00 H new ATOM 0 HG11 VAL A 124 2.416 -4.431 1.717 1.00 0.00 H new ATOM 0 HG12 VAL A 124 4.121 -4.471 1.209 1.00 0.00 H new ATOM 0 HG13 VAL A 124 3.702 -4.629 2.931 1.00 0.00 H new ATOM 0 HG21 VAL A 124 1.511 -2.456 2.894 1.00 0.00 H new ATOM 0 HG22 VAL A 124 2.759 -2.573 4.157 1.00 0.00 H new ATOM 0 HG23 VAL A 124 2.557 -1.059 3.243 1.00 0.00 H new ATOM 917 N THR A 125 6.709 -3.742 1.881 1.00 0.00 N ATOM 918 CA THR A 125 7.687 -4.339 0.981 1.00 0.00 C ATOM 919 C THR A 125 7.388 -5.816 0.746 1.00 0.00 C ATOM 920 O THR A 125 7.730 -6.667 1.567 1.00 0.00 O ATOM 921 CB THR A 125 9.118 -4.198 1.532 1.00 0.00 C ATOM 922 OG1 THR A 125 9.270 -2.931 2.181 1.00 0.00 O ATOM 923 CG2 THR A 125 10.143 -4.329 0.416 1.00 0.00 C ATOM 0 H THR A 125 6.688 -4.154 2.814 1.00 0.00 H new ATOM 0 HA THR A 125 7.616 -3.801 0.036 1.00 0.00 H new ATOM 0 HB THR A 125 9.287 -4.997 2.253 1.00 0.00 H new ATOM 0 HG1 THR A 125 8.931 -2.991 3.099 1.00 0.00 H new ATOM 0 HG21 THR A 125 11.146 -4.226 0.829 1.00 0.00 H new ATOM 0 HG22 THR A 125 10.044 -5.306 -0.056 1.00 0.00 H new ATOM 0 HG23 THR A 125 9.975 -3.549 -0.326 1.00 0.00 H new ATOM 931 N TYR A 126 6.749 -6.113 -0.380 1.00 0.00 N ATOM 932 CA TYR A 126 6.403 -7.488 -0.722 1.00 0.00 C ATOM 933 C TYR A 126 7.580 -8.197 -1.385 1.00 0.00 C ATOM 934 O TYR A 126 8.531 -7.558 -1.833 1.00 0.00 O ATOM 935 CB TYR A 126 5.188 -7.514 -1.651 1.00 0.00 C ATOM 936 CG TYR A 126 3.893 -7.140 -0.966 1.00 0.00 C ATOM 937 CD1 TYR A 126 3.318 -7.978 -0.019 1.00 0.00 C ATOM 938 CD2 TYR A 126 3.246 -5.947 -1.265 1.00 0.00 C ATOM 939 CE1 TYR A 126 2.135 -7.640 0.609 1.00 0.00 C ATOM 940 CE2 TYR A 126 2.063 -5.601 -0.641 1.00 0.00 C ATOM 941 CZ TYR A 126 1.511 -6.451 0.294 1.00 0.00 C ATOM 942 OH TYR A 126 0.333 -6.111 0.919 1.00 0.00 O ATOM 0 H TYR A 126 6.460 -5.421 -1.071 1.00 0.00 H new ATOM 0 HA TYR A 126 6.158 -8.015 0.200 1.00 0.00 H new ATOM 0 HB2 TYR A 126 5.361 -6.829 -2.481 1.00 0.00 H new ATOM 0 HB3 TYR A 126 5.089 -8.512 -2.077 1.00 0.00 H new ATOM 0 HD1 TYR A 126 3.804 -8.910 0.230 1.00 0.00 H new ATOM 0 HD2 TYR A 126 3.675 -5.279 -1.997 1.00 0.00 H new ATOM 0 HE1 TYR A 126 1.701 -8.303 1.343 1.00 0.00 H new ATOM 0 HE2 TYR A 126 1.573 -4.670 -0.884 1.00 0.00 H new ATOM 0 HH TYR A 126 -0.027 -6.893 1.387 1.00 0.00 H new ATOM 952 N SER A 127 7.506 -9.523 -1.443 1.00 0.00 N ATOM 953 CA SER A 127 8.566 -10.321 -2.048 1.00 0.00 C ATOM 954 C SER A 127 8.300 -10.541 -3.534 1.00 0.00 C ATOM 955 O SER A 127 9.211 -10.464 -4.357 1.00 0.00 O ATOM 956 CB SER A 127 8.688 -11.670 -1.335 1.00 0.00 C ATOM 957 OG SER A 127 9.850 -12.364 -1.752 1.00 0.00 O ATOM 0 H SER A 127 6.724 -10.067 -1.079 1.00 0.00 H new ATOM 0 HA SER A 127 9.503 -9.775 -1.941 1.00 0.00 H new ATOM 0 HB2 SER A 127 8.722 -11.513 -0.257 1.00 0.00 H new ATOM 0 HB3 SER A 127 7.805 -12.275 -1.542 1.00 0.00 H new ATOM 0 HG SER A 127 9.906 -13.222 -1.281 1.00 0.00 H new ATOM 963 N SER A 128 7.043 -10.816 -3.869 1.00 0.00 N ATOM 964 CA SER A 128 6.656 -11.051 -5.255 1.00 0.00 C ATOM 965 C SER A 128 6.108 -9.777 -5.890 1.00 0.00 C ATOM 966 O SER A 128 5.512 -8.939 -5.214 1.00 0.00 O ATOM 967 CB SER A 128 5.608 -12.163 -5.332 1.00 0.00 C ATOM 968 OG SER A 128 5.641 -12.810 -6.593 1.00 0.00 O ATOM 0 H SER A 128 6.276 -10.881 -3.200 1.00 0.00 H new ATOM 0 HA SER A 128 7.544 -11.358 -5.807 1.00 0.00 H new ATOM 0 HB2 SER A 128 5.788 -12.892 -4.541 1.00 0.00 H new ATOM 0 HB3 SER A 128 4.616 -11.745 -5.160 1.00 0.00 H new ATOM 0 HG SER A 128 4.963 -13.517 -6.616 1.00 0.00 H new ATOM 974 N LYS A 129 6.317 -9.637 -7.195 1.00 0.00 N ATOM 975 CA LYS A 129 5.845 -8.466 -7.924 1.00 0.00 C ATOM 976 C LYS A 129 4.321 -8.394 -7.910 1.00 0.00 C ATOM 977 O LYS A 129 3.742 -7.391 -7.494 1.00 0.00 O ATOM 978 CB LYS A 129 6.350 -8.501 -9.368 1.00 0.00 C ATOM 979 CG LYS A 129 5.894 -7.316 -10.202 1.00 0.00 C ATOM 980 CD LYS A 129 6.885 -6.167 -10.128 1.00 0.00 C ATOM 981 CE LYS A 129 6.542 -5.207 -8.999 1.00 0.00 C ATOM 982 NZ LYS A 129 5.635 -4.118 -9.454 1.00 0.00 N ATOM 0 H LYS A 129 6.810 -10.320 -7.769 1.00 0.00 H new ATOM 0 HA LYS A 129 6.238 -7.578 -7.429 1.00 0.00 H new ATOM 0 HB2 LYS A 129 7.440 -8.532 -9.362 1.00 0.00 H new ATOM 0 HB3 LYS A 129 6.007 -9.421 -9.842 1.00 0.00 H new ATOM 0 HG2 LYS A 129 5.772 -7.626 -11.240 1.00 0.00 H new ATOM 0 HG3 LYS A 129 4.918 -6.979 -9.853 1.00 0.00 H new ATOM 0 HD2 LYS A 129 7.890 -6.561 -9.979 1.00 0.00 H new ATOM 0 HD3 LYS A 129 6.891 -5.629 -11.076 1.00 0.00 H new ATOM 0 HE2 LYS A 129 6.069 -5.757 -8.185 1.00 0.00 H new ATOM 0 HE3 LYS A 129 7.459 -4.773 -8.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 5.439 -3.475 -8.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 6.089 -3.587 -10.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 4.743 -4.529 -9.795 1.00 0.00 H new ATOM 996 N ASP A 130 3.678 -9.464 -8.365 1.00 0.00 N ATOM 997 CA ASP A 130 2.222 -9.523 -8.402 1.00 0.00 C ATOM 998 C ASP A 130 1.630 -9.199 -7.034 1.00 0.00 C ATOM 999 O ASP A 130 0.670 -8.436 -6.928 1.00 0.00 O ATOM 1000 CB ASP A 130 1.757 -10.907 -8.858 1.00 0.00 C ATOM 1001 CG ASP A 130 0.325 -11.198 -8.456 1.00 0.00 C ATOM 1002 OD1 ASP A 130 -0.586 -10.509 -8.962 1.00 0.00 O ATOM 1003 OD2 ASP A 130 0.114 -12.116 -7.636 1.00 0.00 O ATOM 0 H ASP A 130 4.143 -10.302 -8.713 1.00 0.00 H new ATOM 0 HA ASP A 130 1.871 -8.777 -9.116 1.00 0.00 H new ATOM 0 HB2 ASP A 130 1.849 -10.979 -9.942 1.00 0.00 H new ATOM 0 HB3 ASP A 130 2.413 -11.666 -8.431 1.00 0.00 H new ATOM 1008 N GLN A 131 2.209 -9.784 -5.991 1.00 0.00 N ATOM 1009 CA GLN A 131 1.737 -9.559 -4.630 1.00 0.00 C ATOM 1010 C GLN A 131 1.628 -8.067 -4.331 1.00 0.00 C ATOM 1011 O GLN A 131 0.701 -7.626 -3.653 1.00 0.00 O ATOM 1012 CB GLN A 131 2.678 -10.224 -3.624 1.00 0.00 C ATOM 1013 CG GLN A 131 2.554 -11.739 -3.585 1.00 0.00 C ATOM 1014 CD GLN A 131 3.797 -12.413 -3.038 1.00 0.00 C ATOM 1015 OE1 GLN A 131 4.618 -11.781 -2.372 1.00 0.00 O ATOM 1016 NE2 GLN A 131 3.943 -13.703 -3.316 1.00 0.00 N ATOM 0 H GLN A 131 3.005 -10.417 -6.062 1.00 0.00 H new ATOM 0 HA GLN A 131 0.746 -10.003 -4.539 1.00 0.00 H new ATOM 0 HB2 GLN A 131 3.706 -9.958 -3.870 1.00 0.00 H new ATOM 0 HB3 GLN A 131 2.475 -9.825 -2.630 1.00 0.00 H new ATOM 0 HG2 GLN A 131 1.696 -12.014 -2.971 1.00 0.00 H new ATOM 0 HG3 GLN A 131 2.357 -12.110 -4.591 1.00 0.00 H new ATOM 0 HE21 GLN A 131 3.238 -14.188 -3.871 1.00 0.00 H new ATOM 0 HE22 GLN A 131 4.760 -14.209 -2.974 1.00 0.00 H new ATOM 1025 N ALA A 132 2.581 -7.295 -4.843 1.00 0.00 N ATOM 1026 CA ALA A 132 2.591 -5.853 -4.633 1.00 0.00 C ATOM 1027 C ALA A 132 1.581 -5.159 -5.540 1.00 0.00 C ATOM 1028 O ALA A 132 0.922 -4.202 -5.133 1.00 0.00 O ATOM 1029 CB ALA A 132 3.987 -5.294 -4.870 1.00 0.00 C ATOM 0 H ALA A 132 3.356 -7.645 -5.406 1.00 0.00 H new ATOM 0 HA ALA A 132 2.305 -5.660 -3.599 1.00 0.00 H new ATOM 0 HB1 ALA A 132 3.979 -4.216 -4.710 1.00 0.00 H new ATOM 0 HB2 ALA A 132 4.688 -5.759 -4.177 1.00 0.00 H new ATOM 0 HB3 ALA A 132 4.295 -5.506 -5.894 1.00 0.00 H new ATOM 1035 N ARG A 133 1.464 -5.647 -6.770 1.00 0.00 N ATOM 1036 CA ARG A 133 0.535 -5.072 -7.736 1.00 0.00 C ATOM 1037 C ARG A 133 -0.880 -5.025 -7.167 1.00 0.00 C ATOM 1038 O ARG A 133 -1.530 -3.980 -7.180 1.00 0.00 O ATOM 1039 CB ARG A 133 0.548 -5.882 -9.033 1.00 0.00 C ATOM 1040 CG ARG A 133 -0.395 -5.343 -10.097 1.00 0.00 C ATOM 1041 CD ARG A 133 0.047 -5.754 -11.493 1.00 0.00 C ATOM 1042 NE ARG A 133 -0.775 -5.138 -12.531 1.00 0.00 N ATOM 1043 CZ ARG A 133 -0.882 -5.618 -13.765 1.00 0.00 C ATOM 1044 NH1 ARG A 133 -0.222 -6.714 -14.113 1.00 0.00 N ATOM 1045 NH2 ARG A 133 -1.650 -5.001 -14.653 1.00 0.00 N ATOM 0 H ARG A 133 2.001 -6.440 -7.122 1.00 0.00 H new ATOM 0 HA ARG A 133 0.857 -4.053 -7.950 1.00 0.00 H new ATOM 0 HB2 ARG A 133 1.562 -5.897 -9.432 1.00 0.00 H new ATOM 0 HB3 ARG A 133 0.278 -6.914 -8.810 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -1.404 -5.711 -9.911 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -0.435 -4.256 -10.032 1.00 0.00 H new ATOM 0 HD2 ARG A 133 1.089 -5.472 -11.641 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -0.006 -6.839 -11.585 1.00 0.00 H new ATOM 0 HE ARG A 133 -1.295 -4.293 -12.296 1.00 0.00 H new ATOM 0 HH11 ARG A 133 0.370 -7.191 -13.433 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -0.306 -7.080 -15.061 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -2.159 -4.157 -14.389 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -1.732 -5.370 -15.600 1.00 0.00 H new ATOM 1059 N GLN A 134 -1.350 -6.164 -6.668 1.00 0.00 N ATOM 1060 CA GLN A 134 -2.688 -6.253 -6.096 1.00 0.00 C ATOM 1061 C GLN A 134 -2.828 -5.327 -4.892 1.00 0.00 C ATOM 1062 O GLN A 134 -3.650 -4.412 -4.893 1.00 0.00 O ATOM 1063 CB GLN A 134 -2.995 -7.694 -5.684 1.00 0.00 C ATOM 1064 CG GLN A 134 -4.477 -7.963 -5.474 1.00 0.00 C ATOM 1065 CD GLN A 134 -4.839 -9.421 -5.680 1.00 0.00 C ATOM 1066 OE1 GLN A 134 -4.617 -9.982 -6.753 1.00 0.00 O ATOM 1067 NE2 GLN A 134 -5.400 -10.043 -4.650 1.00 0.00 N ATOM 0 H GLN A 134 -0.824 -7.038 -6.648 1.00 0.00 H new ATOM 0 HA GLN A 134 -3.403 -5.940 -6.857 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -2.616 -8.371 -6.450 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -2.458 -7.922 -4.763 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -4.758 -7.662 -4.465 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -5.056 -7.348 -6.163 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -5.566 -9.539 -3.779 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -5.665 -11.025 -4.730 1.00 0.00 H new ATOM 1076 N ALA A 135 -2.019 -5.572 -3.867 1.00 0.00 N ATOM 1077 CA ALA A 135 -2.051 -4.759 -2.657 1.00 0.00 C ATOM 1078 C ALA A 135 -2.371 -3.304 -2.982 1.00 0.00 C ATOM 1079 O ALA A 135 -3.335 -2.738 -2.463 1.00 0.00 O ATOM 1080 CB ALA A 135 -0.724 -4.857 -1.919 1.00 0.00 C ATOM 0 H ALA A 135 -1.333 -6.327 -3.850 1.00 0.00 H new ATOM 0 HA ALA A 135 -2.842 -5.143 -2.012 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -0.763 -4.245 -1.018 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -0.536 -5.895 -1.645 1.00 0.00 H new ATOM 0 HB3 ALA A 135 0.079 -4.501 -2.565 1.00 0.00 H new ATOM 1086 N LEU A 136 -1.557 -2.702 -3.842 1.00 0.00 N ATOM 1087 CA LEU A 136 -1.754 -1.311 -4.236 1.00 0.00 C ATOM 1088 C LEU A 136 -3.015 -1.157 -5.080 1.00 0.00 C ATOM 1089 O LEU A 136 -3.875 -0.328 -4.784 1.00 0.00 O ATOM 1090 CB LEU A 136 -0.539 -0.805 -5.016 1.00 0.00 C ATOM 1091 CG LEU A 136 -0.715 0.531 -5.740 1.00 0.00 C ATOM 1092 CD1 LEU A 136 0.639 1.153 -6.048 1.00 0.00 C ATOM 1093 CD2 LEU A 136 -1.521 0.344 -7.016 1.00 0.00 C ATOM 0 H LEU A 136 -0.755 -3.155 -4.280 1.00 0.00 H new ATOM 0 HA LEU A 136 -1.871 -0.716 -3.331 1.00 0.00 H new ATOM 0 HB2 LEU A 136 0.299 -0.713 -4.325 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -0.264 -1.561 -5.752 1.00 0.00 H new ATOM 0 HG LEU A 136 -1.263 1.208 -5.085 1.00 0.00 H new ATOM 0 HD11 LEU A 136 0.494 2.103 -6.563 1.00 0.00 H new ATOM 0 HD12 LEU A 136 1.181 1.323 -5.118 1.00 0.00 H new ATOM 0 HD13 LEU A 136 1.213 0.479 -6.684 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -1.636 1.305 -7.518 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -1.001 -0.350 -7.676 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -2.504 -0.057 -6.770 1.00 0.00 H new ATOM 1105 N ASP A 137 -3.118 -1.962 -6.132 1.00 0.00 N ATOM 1106 CA ASP A 137 -4.276 -1.917 -7.018 1.00 0.00 C ATOM 1107 C ASP A 137 -5.569 -1.800 -6.217 1.00 0.00 C ATOM 1108 O ASP A 137 -6.587 -1.332 -6.726 1.00 0.00 O ATOM 1109 CB ASP A 137 -4.318 -3.167 -7.899 1.00 0.00 C ATOM 1110 CG ASP A 137 -3.561 -2.984 -9.200 1.00 0.00 C ATOM 1111 OD1 ASP A 137 -3.448 -1.830 -9.664 1.00 0.00 O ATOM 1112 OD2 ASP A 137 -3.081 -3.995 -9.753 1.00 0.00 O ATOM 0 H ASP A 137 -2.414 -2.653 -6.392 1.00 0.00 H new ATOM 0 HA ASP A 137 -4.183 -1.036 -7.654 1.00 0.00 H new ATOM 0 HB2 ASP A 137 -3.895 -4.009 -7.351 1.00 0.00 H new ATOM 0 HB3 ASP A 137 -5.356 -3.419 -8.118 1.00 0.00 H new ATOM 1117 N LYS A 138 -5.521 -2.230 -4.961 1.00 0.00 N ATOM 1118 CA LYS A 138 -6.688 -2.174 -4.088 1.00 0.00 C ATOM 1119 C LYS A 138 -6.509 -1.111 -3.008 1.00 0.00 C ATOM 1120 O LYS A 138 -7.225 -0.109 -2.984 1.00 0.00 O ATOM 1121 CB LYS A 138 -6.932 -3.539 -3.440 1.00 0.00 C ATOM 1122 CG LYS A 138 -7.258 -4.636 -4.438 1.00 0.00 C ATOM 1123 CD LYS A 138 -8.640 -4.449 -5.041 1.00 0.00 C ATOM 1124 CE LYS A 138 -9.720 -5.052 -4.157 1.00 0.00 C ATOM 1125 NZ LYS A 138 -11.042 -5.086 -4.842 1.00 0.00 N ATOM 0 H LYS A 138 -4.686 -2.621 -4.524 1.00 0.00 H new ATOM 0 HA LYS A 138 -7.553 -1.908 -4.696 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -6.046 -3.826 -2.873 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -7.752 -3.452 -2.727 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -6.511 -4.640 -5.232 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -7.204 -5.606 -3.944 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -8.836 -3.386 -5.182 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -8.674 -4.913 -6.027 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -9.433 -6.064 -3.872 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -9.802 -4.473 -3.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -11.752 -5.504 -4.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -11.328 -4.118 -5.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -10.970 -5.660 -5.706 1.00 0.00 H new ATOM 1139 N LEU A 139 -5.549 -1.336 -2.117 1.00 0.00 N ATOM 1140 CA LEU A 139 -5.275 -0.397 -1.035 1.00 0.00 C ATOM 1141 C LEU A 139 -5.215 1.035 -1.559 1.00 0.00 C ATOM 1142 O LEU A 139 -5.709 1.962 -0.918 1.00 0.00 O ATOM 1143 CB LEU A 139 -3.958 -0.755 -0.344 1.00 0.00 C ATOM 1144 CG LEU A 139 -3.946 -2.069 0.438 1.00 0.00 C ATOM 1145 CD1 LEU A 139 -2.519 -2.542 0.665 1.00 0.00 C ATOM 1146 CD2 LEU A 139 -4.674 -1.908 1.764 1.00 0.00 C ATOM 0 H LEU A 139 -4.948 -2.160 -2.123 1.00 0.00 H new ATOM 0 HA LEU A 139 -6.088 -0.466 -0.312 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -3.174 -0.798 -1.100 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -3.698 0.054 0.339 1.00 0.00 H new ATOM 0 HG LEU A 139 -4.468 -2.824 -0.150 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -2.530 -3.478 1.223 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -2.030 -2.699 -0.297 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -1.972 -1.789 1.232 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -4.655 -2.853 2.307 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -4.181 -1.139 2.358 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -5.708 -1.617 1.578 1.00 0.00 H new ATOM 1158 N ASN A 140 -4.607 1.207 -2.728 1.00 0.00 N ATOM 1159 CA ASN A 140 -4.484 2.525 -3.339 1.00 0.00 C ATOM 1160 C ASN A 140 -5.771 3.326 -3.168 1.00 0.00 C ATOM 1161 O ASN A 140 -5.746 4.555 -3.104 1.00 0.00 O ATOM 1162 CB ASN A 140 -4.147 2.392 -4.826 1.00 0.00 C ATOM 1163 CG ASN A 140 -4.381 3.681 -5.589 1.00 0.00 C ATOM 1164 OD1 ASN A 140 -5.509 3.993 -5.972 1.00 0.00 O ATOM 1165 ND2 ASN A 140 -3.313 4.437 -5.815 1.00 0.00 N ATOM 0 H ASN A 140 -4.192 0.450 -3.271 1.00 0.00 H new ATOM 0 HA ASN A 140 -3.676 3.057 -2.836 1.00 0.00 H new ATOM 0 HB2 ASN A 140 -3.104 2.093 -4.934 1.00 0.00 H new ATOM 0 HB3 ASN A 140 -4.753 1.599 -5.264 1.00 0.00 H new ATOM 0 HD21 ASN A 140 -3.409 5.315 -6.324 1.00 0.00 H new ATOM 0 HD22 ASN A 140 -2.397 4.139 -5.479 1.00 0.00 H new ATOM 1172 N GLY A 141 -6.896 2.621 -3.093 1.00 0.00 N ATOM 1173 CA GLY A 141 -8.177 3.283 -2.929 1.00 0.00 C ATOM 1174 C GLY A 141 -9.074 2.571 -1.937 1.00 0.00 C ATOM 1175 O GLY A 141 -10.244 2.923 -1.783 1.00 0.00 O ATOM 0 H GLY A 141 -6.943 1.603 -3.143 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -8.013 4.308 -2.596 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -8.680 3.339 -3.894 1.00 0.00 H new ATOM 1179 N PHE A 142 -8.527 1.566 -1.261 1.00 0.00 N ATOM 1180 CA PHE A 142 -9.287 0.801 -0.280 1.00 0.00 C ATOM 1181 C PHE A 142 -9.808 1.707 0.831 1.00 0.00 C ATOM 1182 O PHE A 142 -9.047 2.158 1.687 1.00 0.00 O ATOM 1183 CB PHE A 142 -8.418 -0.308 0.318 1.00 0.00 C ATOM 1184 CG PHE A 142 -9.163 -1.215 1.255 1.00 0.00 C ATOM 1185 CD1 PHE A 142 -9.538 -0.774 2.514 1.00 0.00 C ATOM 1186 CD2 PHE A 142 -9.490 -2.507 0.876 1.00 0.00 C ATOM 1187 CE1 PHE A 142 -10.224 -1.607 3.378 1.00 0.00 C ATOM 1188 CE2 PHE A 142 -10.175 -3.344 1.737 1.00 0.00 C ATOM 1189 CZ PHE A 142 -10.544 -2.893 2.989 1.00 0.00 C ATOM 0 H PHE A 142 -7.560 1.263 -1.375 1.00 0.00 H new ATOM 0 HA PHE A 142 -10.140 0.351 -0.789 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -7.995 -0.903 -0.491 1.00 0.00 H new ATOM 0 HB3 PHE A 142 -7.582 0.144 0.851 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -9.292 0.231 2.823 1.00 0.00 H new ATOM 0 HD2 PHE A 142 -9.207 -2.864 -0.103 1.00 0.00 H new ATOM 0 HE1 PHE A 142 -10.510 -1.252 4.357 1.00 0.00 H new ATOM 0 HE2 PHE A 142 -10.421 -4.350 1.431 1.00 0.00 H new ATOM 0 HZ PHE A 142 -11.081 -3.544 3.662 1.00 0.00 H new ATOM 1199 N GLN A 143 -11.111 1.970 0.810 1.00 0.00 N ATOM 1200 CA GLN A 143 -11.735 2.824 1.814 1.00 0.00 C ATOM 1201 C GLN A 143 -11.774 2.129 3.170 1.00 0.00 C ATOM 1202 O GLN A 143 -12.278 1.011 3.293 1.00 0.00 O ATOM 1203 CB GLN A 143 -13.151 3.205 1.381 1.00 0.00 C ATOM 1204 CG GLN A 143 -13.626 4.531 1.953 1.00 0.00 C ATOM 1205 CD GLN A 143 -15.111 4.758 1.747 1.00 0.00 C ATOM 1206 OE1 GLN A 143 -15.517 5.559 0.904 1.00 0.00 O ATOM 1207 NE2 GLN A 143 -15.931 4.051 2.516 1.00 0.00 N ATOM 0 H GLN A 143 -11.755 1.604 0.109 1.00 0.00 H new ATOM 0 HA GLN A 143 -11.136 3.730 1.908 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -13.188 3.254 0.293 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -13.840 2.418 1.689 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -13.402 4.563 3.019 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -13.070 5.344 1.486 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -15.551 3.398 3.202 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -16.941 4.161 2.421 1.00 0.00 H new ATOM 1216 N LEU A 144 -11.241 2.796 4.188 1.00 0.00 N ATOM 1217 CA LEU A 144 -11.215 2.242 5.537 1.00 0.00 C ATOM 1218 C LEU A 144 -11.574 3.306 6.569 1.00 0.00 C ATOM 1219 O LEU A 144 -11.138 4.452 6.470 1.00 0.00 O ATOM 1220 CB LEU A 144 -9.834 1.662 5.845 1.00 0.00 C ATOM 1221 CG LEU A 144 -9.772 0.643 6.983 1.00 0.00 C ATOM 1222 CD1 LEU A 144 -8.496 -0.179 6.895 1.00 0.00 C ATOM 1223 CD2 LEU A 144 -9.866 1.343 8.331 1.00 0.00 C ATOM 0 H LEU A 144 -10.821 3.722 4.105 1.00 0.00 H new ATOM 0 HA LEU A 144 -11.957 1.445 5.590 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -9.450 1.190 4.940 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -9.161 2.486 6.085 1.00 0.00 H new ATOM 0 HG LEU A 144 -10.622 -0.033 6.887 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -8.470 -0.899 7.713 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -8.470 -0.710 5.944 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -7.632 0.482 6.965 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -9.820 0.602 9.130 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -9.036 2.042 8.437 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -10.809 1.886 8.394 1.00 0.00 H new ATOM 1235 N GLU A 145 -12.370 2.917 7.561 1.00 0.00 N ATOM 1236 CA GLU A 145 -12.786 3.838 8.612 1.00 0.00 C ATOM 1237 C GLU A 145 -12.965 5.249 8.059 1.00 0.00 C ATOM 1238 O GLU A 145 -12.590 6.230 8.700 1.00 0.00 O ATOM 1239 CB GLU A 145 -11.759 3.849 9.746 1.00 0.00 C ATOM 1240 CG GLU A 145 -11.816 2.615 10.631 1.00 0.00 C ATOM 1241 CD GLU A 145 -12.687 2.815 11.856 1.00 0.00 C ATOM 1242 OE1 GLU A 145 -13.823 3.310 11.701 1.00 0.00 O ATOM 1243 OE2 GLU A 145 -12.233 2.477 12.969 1.00 0.00 O ATOM 0 H GLU A 145 -12.739 1.971 7.658 1.00 0.00 H new ATOM 0 HA GLU A 145 -13.744 3.495 9.002 1.00 0.00 H new ATOM 0 HB2 GLU A 145 -10.760 3.934 9.319 1.00 0.00 H new ATOM 0 HB3 GLU A 145 -11.919 4.735 10.361 1.00 0.00 H new ATOM 0 HG2 GLU A 145 -12.198 1.774 10.052 1.00 0.00 H new ATOM 0 HG3 GLU A 145 -10.806 2.352 10.947 1.00 0.00 H new ATOM 1250 N ASN A 146 -13.542 5.341 6.866 1.00 0.00 N ATOM 1251 CA ASN A 146 -13.771 6.632 6.225 1.00 0.00 C ATOM 1252 C ASN A 146 -12.449 7.300 5.860 1.00 0.00 C ATOM 1253 O ASN A 146 -12.245 8.485 6.125 1.00 0.00 O ATOM 1254 CB ASN A 146 -14.579 7.546 7.148 1.00 0.00 C ATOM 1255 CG ASN A 146 -15.796 6.853 7.728 1.00 0.00 C ATOM 1256 OD1 ASN A 146 -16.462 6.072 7.048 1.00 0.00 O ATOM 1257 ND2 ASN A 146 -16.093 7.136 8.991 1.00 0.00 N ATOM 0 H ASN A 146 -13.860 4.538 6.323 1.00 0.00 H new ATOM 0 HA ASN A 146 -14.336 6.460 5.309 1.00 0.00 H new ATOM 0 HB2 ASN A 146 -13.941 7.893 7.960 1.00 0.00 H new ATOM 0 HB3 ASN A 146 -14.897 8.429 6.593 1.00 0.00 H new ATOM 0 HD21 ASN A 146 -16.901 6.700 9.435 1.00 0.00 H new ATOM 0 HD22 ASN A 146 -15.513 7.790 9.517 1.00 0.00 H new ATOM 1264 N PHE A 147 -11.553 6.531 5.249 1.00 0.00 N ATOM 1265 CA PHE A 147 -10.250 7.048 4.846 1.00 0.00 C ATOM 1266 C PHE A 147 -9.717 6.293 3.632 1.00 0.00 C ATOM 1267 O PHE A 147 -9.265 5.153 3.743 1.00 0.00 O ATOM 1268 CB PHE A 147 -9.255 6.940 6.004 1.00 0.00 C ATOM 1269 CG PHE A 147 -9.271 8.130 6.921 1.00 0.00 C ATOM 1270 CD1 PHE A 147 -8.553 9.272 6.606 1.00 0.00 C ATOM 1271 CD2 PHE A 147 -10.004 8.106 8.096 1.00 0.00 C ATOM 1272 CE1 PHE A 147 -8.565 10.369 7.447 1.00 0.00 C ATOM 1273 CE2 PHE A 147 -10.020 9.200 8.941 1.00 0.00 C ATOM 1274 CZ PHE A 147 -9.299 10.333 8.616 1.00 0.00 C ATOM 0 H PHE A 147 -11.705 5.548 5.022 1.00 0.00 H new ATOM 0 HA PHE A 147 -10.371 8.097 4.576 1.00 0.00 H new ATOM 0 HB2 PHE A 147 -9.478 6.043 6.582 1.00 0.00 H new ATOM 0 HB3 PHE A 147 -8.251 6.817 5.599 1.00 0.00 H new ATOM 0 HD1 PHE A 147 -7.977 9.306 5.693 1.00 0.00 H new ATOM 0 HD2 PHE A 147 -10.569 7.223 8.355 1.00 0.00 H new ATOM 0 HE1 PHE A 147 -8.001 11.253 7.190 1.00 0.00 H new ATOM 0 HE2 PHE A 147 -10.596 9.169 9.854 1.00 0.00 H new ATOM 0 HZ PHE A 147 -9.310 11.189 9.275 1.00 0.00 H new ATOM 1284 N THR A 148 -9.774 6.937 2.470 1.00 0.00 N ATOM 1285 CA THR A 148 -9.300 6.328 1.234 1.00 0.00 C ATOM 1286 C THR A 148 -7.790 6.121 1.267 1.00 0.00 C ATOM 1287 O THR A 148 -7.020 7.043 0.993 1.00 0.00 O ATOM 1288 CB THR A 148 -9.662 7.189 0.009 1.00 0.00 C ATOM 1289 OG1 THR A 148 -11.031 7.600 0.086 1.00 0.00 O ATOM 1290 CG2 THR A 148 -9.430 6.418 -1.282 1.00 0.00 C ATOM 0 H THR A 148 -10.144 7.881 2.360 1.00 0.00 H new ATOM 0 HA THR A 148 -9.795 5.361 1.148 1.00 0.00 H new ATOM 0 HB THR A 148 -9.019 8.069 0.008 1.00 0.00 H new ATOM 0 HG1 THR A 148 -11.252 8.148 -0.696 1.00 0.00 H new ATOM 0 HG21 THR A 148 -9.693 7.046 -2.133 1.00 0.00 H new ATOM 0 HG22 THR A 148 -8.380 6.133 -1.352 1.00 0.00 H new ATOM 0 HG23 THR A 148 -10.051 5.522 -1.287 1.00 0.00 H new ATOM 1298 N LEU A 149 -7.372 4.906 1.604 1.00 0.00 N ATOM 1299 CA LEU A 149 -5.952 4.577 1.672 1.00 0.00 C ATOM 1300 C LEU A 149 -5.260 4.877 0.347 1.00 0.00 C ATOM 1301 O LEU A 149 -5.640 4.349 -0.698 1.00 0.00 O ATOM 1302 CB LEU A 149 -5.767 3.103 2.036 1.00 0.00 C ATOM 1303 CG LEU A 149 -6.484 2.628 3.301 1.00 0.00 C ATOM 1304 CD1 LEU A 149 -6.415 1.113 3.416 1.00 0.00 C ATOM 1305 CD2 LEU A 149 -5.881 3.286 4.533 1.00 0.00 C ATOM 0 H LEU A 149 -7.996 4.132 1.834 1.00 0.00 H new ATOM 0 HA LEU A 149 -5.497 5.195 2.446 1.00 0.00 H new ATOM 0 HB2 LEU A 149 -6.111 2.497 1.198 1.00 0.00 H new ATOM 0 HB3 LEU A 149 -4.701 2.909 2.153 1.00 0.00 H new ATOM 0 HG LEU A 149 -7.532 2.919 3.234 1.00 0.00 H new ATOM 0 HD11 LEU A 149 -6.930 0.793 4.322 1.00 0.00 H new ATOM 0 HD12 LEU A 149 -6.893 0.660 2.547 1.00 0.00 H new ATOM 0 HD13 LEU A 149 -5.372 0.799 3.461 1.00 0.00 H new ATOM 0 HD21 LEU A 149 -6.403 2.937 5.424 1.00 0.00 H new ATOM 0 HD22 LEU A 149 -4.825 3.025 4.605 1.00 0.00 H new ATOM 0 HD23 LEU A 149 -5.982 4.368 4.454 1.00 0.00 H new ATOM 1317 N LYS A 150 -4.239 5.726 0.398 1.00 0.00 N ATOM 1318 CA LYS A 150 -3.490 6.094 -0.797 1.00 0.00 C ATOM 1319 C LYS A 150 -2.194 5.295 -0.895 1.00 0.00 C ATOM 1320 O LYS A 150 -1.384 5.291 0.032 1.00 0.00 O ATOM 1321 CB LYS A 150 -3.177 7.592 -0.787 1.00 0.00 C ATOM 1322 CG LYS A 150 -4.416 8.472 -0.755 1.00 0.00 C ATOM 1323 CD LYS A 150 -4.065 9.936 -0.959 1.00 0.00 C ATOM 1324 CE LYS A 150 -5.222 10.705 -1.578 1.00 0.00 C ATOM 1325 NZ LYS A 150 -5.052 12.177 -1.431 1.00 0.00 N ATOM 0 H LYS A 150 -3.911 6.172 1.255 1.00 0.00 H new ATOM 0 HA LYS A 150 -4.106 5.863 -1.666 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -2.557 7.819 0.080 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -2.590 7.838 -1.672 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -5.111 8.152 -1.531 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -4.926 8.349 0.200 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -3.799 10.384 -0.002 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -3.189 10.015 -1.602 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -5.301 10.453 -2.635 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -6.156 10.398 -1.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -5.861 12.665 -1.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -5.002 12.422 -0.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -4.174 12.474 -1.903 1.00 0.00 H new ATOM 1339 N VAL A 151 -2.004 4.619 -2.024 1.00 0.00 N ATOM 1340 CA VAL A 151 -0.806 3.819 -2.244 1.00 0.00 C ATOM 1341 C VAL A 151 -0.097 4.231 -3.529 1.00 0.00 C ATOM 1342 O VAL A 151 -0.737 4.491 -4.547 1.00 0.00 O ATOM 1343 CB VAL A 151 -1.140 2.317 -2.314 1.00 0.00 C ATOM 1344 CG1 VAL A 151 0.127 1.496 -2.502 1.00 0.00 C ATOM 1345 CG2 VAL A 151 -1.888 1.878 -1.064 1.00 0.00 C ATOM 0 H VAL A 151 -2.665 4.610 -2.801 1.00 0.00 H new ATOM 0 HA VAL A 151 -0.146 3.998 -1.395 1.00 0.00 H new ATOM 0 HB VAL A 151 -1.786 2.147 -3.175 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -0.129 0.438 -2.549 1.00 0.00 H new ATOM 0 HG12 VAL A 151 0.618 1.792 -3.429 1.00 0.00 H new ATOM 0 HG13 VAL A 151 0.801 1.669 -1.663 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -2.116 0.814 -1.131 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -1.269 2.062 -0.186 1.00 0.00 H new ATOM 0 HG23 VAL A 151 -2.816 2.443 -0.978 1.00 0.00 H new ATOM 1355 N ALA A 152 1.230 4.289 -3.474 1.00 0.00 N ATOM 1356 CA ALA A 152 2.026 4.668 -4.634 1.00 0.00 C ATOM 1357 C ALA A 152 3.357 3.924 -4.652 1.00 0.00 C ATOM 1358 O ALA A 152 3.987 3.732 -3.612 1.00 0.00 O ATOM 1359 CB ALA A 152 2.259 6.171 -4.647 1.00 0.00 C ATOM 0 H ALA A 152 1.776 4.078 -2.638 1.00 0.00 H new ATOM 0 HA ALA A 152 1.472 4.390 -5.531 1.00 0.00 H new ATOM 0 HB1 ALA A 152 2.855 6.439 -5.519 1.00 0.00 H new ATOM 0 HB2 ALA A 152 1.300 6.687 -4.690 1.00 0.00 H new ATOM 0 HB3 ALA A 152 2.789 6.465 -3.741 1.00 0.00 H new ATOM 1365 N TYR A 153 3.780 3.507 -5.840 1.00 0.00 N ATOM 1366 CA TYR A 153 5.035 2.781 -5.993 1.00 0.00 C ATOM 1367 C TYR A 153 6.224 3.664 -5.626 1.00 0.00 C ATOM 1368 O TYR A 153 6.536 4.626 -6.327 1.00 0.00 O ATOM 1369 CB TYR A 153 5.186 2.276 -7.429 1.00 0.00 C ATOM 1370 CG TYR A 153 4.525 0.938 -7.674 1.00 0.00 C ATOM 1371 CD1 TYR A 153 5.075 -0.233 -7.167 1.00 0.00 C ATOM 1372 CD2 TYR A 153 3.350 0.846 -8.410 1.00 0.00 C ATOM 1373 CE1 TYR A 153 4.475 -1.457 -7.389 1.00 0.00 C ATOM 1374 CE2 TYR A 153 2.743 -0.375 -8.635 1.00 0.00 C ATOM 1375 CZ TYR A 153 3.309 -1.523 -8.123 1.00 0.00 C ATOM 1376 OH TYR A 153 2.708 -2.741 -8.344 1.00 0.00 O ATOM 0 H TYR A 153 3.272 3.659 -6.711 1.00 0.00 H new ATOM 0 HA TYR A 153 5.015 1.928 -5.315 1.00 0.00 H new ATOM 0 HB2 TYR A 153 4.760 3.012 -8.111 1.00 0.00 H new ATOM 0 HB3 TYR A 153 6.247 2.197 -7.668 1.00 0.00 H new ATOM 0 HD1 TYR A 153 5.987 -0.185 -6.590 1.00 0.00 H new ATOM 0 HD2 TYR A 153 2.904 1.743 -8.813 1.00 0.00 H new ATOM 0 HE1 TYR A 153 4.917 -2.358 -6.990 1.00 0.00 H new ATOM 0 HE2 TYR A 153 1.830 -0.430 -9.209 1.00 0.00 H new ATOM 0 HH TYR A 153 2.803 -3.302 -7.546 1.00 0.00 H new ATOM 1386 N ILE A 154 6.882 3.329 -4.521 1.00 0.00 N ATOM 1387 CA ILE A 154 8.037 4.090 -4.061 1.00 0.00 C ATOM 1388 C ILE A 154 9.213 3.937 -5.019 1.00 0.00 C ATOM 1389 O ILE A 154 9.507 2.849 -5.514 1.00 0.00 O ATOM 1390 CB ILE A 154 8.477 3.648 -2.652 1.00 0.00 C ATOM 1391 CG1 ILE A 154 7.320 3.799 -1.662 1.00 0.00 C ATOM 1392 CG2 ILE A 154 9.681 4.457 -2.195 1.00 0.00 C ATOM 1393 CD1 ILE A 154 7.629 3.258 -0.284 1.00 0.00 C ATOM 0 H ILE A 154 6.635 2.536 -3.928 1.00 0.00 H new ATOM 0 HA ILE A 154 7.733 5.136 -4.027 1.00 0.00 H new ATOM 0 HB ILE A 154 8.763 2.597 -2.690 1.00 0.00 H new ATOM 0 HG12 ILE A 154 7.059 4.854 -1.579 1.00 0.00 H new ATOM 0 HG13 ILE A 154 6.445 3.284 -2.058 1.00 0.00 H new ATOM 0 HG21 ILE A 154 9.980 4.133 -1.198 1.00 0.00 H new ATOM 0 HG22 ILE A 154 10.507 4.304 -2.889 1.00 0.00 H new ATOM 0 HG23 ILE A 154 9.420 5.515 -2.170 1.00 0.00 H new ATOM 0 HD11 ILE A 154 6.764 3.399 0.364 1.00 0.00 H new ATOM 0 HD12 ILE A 154 7.861 2.195 -0.354 1.00 0.00 H new ATOM 0 HD13 ILE A 154 8.485 3.790 0.132 1.00 0.00 H new