USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=14 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 128 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 131 GLN : amide:sc= -3.36! C(o=-3.4!,f=-8.8!) USER MOD Set 2.1: A 117 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 119 THR OG1 : rot -120:sc=-0.00283 USER MOD Set 3.1: A 84 GLN : amide:sc= 0.0222 X(o=-2.6,f=-2.7) USER MOD Set 3.2: A 123 ASN : amide:sc= -2.67! K(o=-2.6!,f=-4) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= -1.66! C(o=-1.7!,f=-1.9!) USER MOD Single : A 91 HIS : no HD1:sc= -0.168 X(o=-0.17,f=0) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 0 K(o=0,f=-0.97) 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= -0.996 USER MOD Single : A 112 GLN : amide:sc= -0.402 X(o=-0.4,f=-0.023) USER MOD Single : A 114 ASN : amide:sc= -0.463 X(o=-0.46,f=-0.92!) USER MOD Single : A 115 THR OG1 : rot -52:sc= 0.679 USER MOD Single : A 125 THR OG1 : rot 180:sc= -0.139 USER MOD Single : A 126 TYR OH : rot -18:sc= 1.12 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 GLN :FLIP amide:sc= -1.14 F(o=-2.4,f=-1.1) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 ASN : amide:sc= -0.528 K(o=-0.53,f=-2.1!) USER MOD Single : A 143 GLN : amide:sc= -0.0125 K(o=-0.012,f=-1.2) USER MOD Single : A 146 ASN : amide:sc= -0.0818 K(o=-0.082,f=-2.6!) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 TYR OH : rot 15:sc= -0.224 USER MOD ----------------------------------------------------------------- ATOM 237 N LYS A 82 9.280 -1.296 -3.625 1.00 0.00 N ATOM 238 CA LYS A 82 8.568 -1.016 -2.384 1.00 0.00 C ATOM 239 C LYS A 82 7.246 -0.306 -2.664 1.00 0.00 C ATOM 240 O LYS A 82 6.970 0.088 -3.798 1.00 0.00 O ATOM 241 CB LYS A 82 9.433 -0.158 -1.458 1.00 0.00 C ATOM 242 CG LYS A 82 9.159 -0.389 0.018 1.00 0.00 C ATOM 243 CD LYS A 82 10.390 -0.113 0.864 1.00 0.00 C ATOM 244 CE LYS A 82 10.528 1.369 1.179 1.00 0.00 C ATOM 245 NZ LYS A 82 11.721 1.647 2.026 1.00 0.00 N ATOM 0 HA LYS A 82 8.354 -1.966 -1.894 1.00 0.00 H new ATOM 0 HB2 LYS A 82 10.484 -0.366 -1.661 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.266 0.894 -1.690 1.00 0.00 H new ATOM 0 HG2 LYS A 82 8.342 0.255 0.342 1.00 0.00 H new ATOM 0 HG3 LYS A 82 8.834 -1.418 0.172 1.00 0.00 H new ATOM 0 HD2 LYS A 82 10.329 -0.680 1.793 1.00 0.00 H new ATOM 0 HD3 LYS A 82 11.280 -0.459 0.338 1.00 0.00 H new ATOM 0 HE2 LYS A 82 10.604 1.932 0.249 1.00 0.00 H new ATOM 0 HE3 LYS A 82 9.630 1.717 1.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 11.780 2.667 2.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 11.637 1.129 2.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 12.580 1.339 1.528 1.00 0.00 H new ATOM 259 N LEU A 83 6.435 -0.146 -1.625 1.00 0.00 N ATOM 260 CA LEU A 83 5.142 0.517 -1.758 1.00 0.00 C ATOM 261 C LEU A 83 4.883 1.447 -0.577 1.00 0.00 C ATOM 262 O LEU A 83 5.182 1.109 0.568 1.00 0.00 O ATOM 263 CB LEU A 83 4.023 -0.520 -1.861 1.00 0.00 C ATOM 264 CG LEU A 83 3.902 -1.247 -3.201 1.00 0.00 C ATOM 265 CD1 LEU A 83 3.126 -2.544 -3.036 1.00 0.00 C ATOM 266 CD2 LEU A 83 3.236 -0.352 -4.236 1.00 0.00 C ATOM 0 H LEU A 83 6.649 -0.466 -0.681 1.00 0.00 H new ATOM 0 HA LEU A 83 5.160 1.114 -2.670 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.172 -1.264 -1.079 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.075 -0.024 -1.653 1.00 0.00 H new ATOM 0 HG LEU A 83 4.905 -1.490 -3.553 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.050 -3.048 -4.000 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.645 -3.191 -2.328 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.126 -2.325 -2.661 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.159 -0.886 -5.183 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.239 -0.077 -3.892 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.833 0.549 -4.376 1.00 0.00 H new ATOM 278 N GLN A 84 4.324 2.618 -0.864 1.00 0.00 N ATOM 279 CA GLN A 84 4.023 3.596 0.175 1.00 0.00 C ATOM 280 C GLN A 84 2.518 3.719 0.387 1.00 0.00 C ATOM 281 O GLN A 84 1.756 3.857 -0.570 1.00 0.00 O ATOM 282 CB GLN A 84 4.611 4.959 -0.192 1.00 0.00 C ATOM 283 CG GLN A 84 4.217 6.070 0.767 1.00 0.00 C ATOM 284 CD GLN A 84 5.239 7.189 0.816 1.00 0.00 C ATOM 285 OE1 GLN A 84 5.148 8.162 0.067 1.00 0.00 O ATOM 286 NE2 GLN A 84 6.219 7.057 1.702 1.00 0.00 N ATOM 0 H GLN A 84 4.070 2.913 -1.807 1.00 0.00 H new ATOM 0 HA GLN A 84 4.476 3.252 1.105 1.00 0.00 H new ATOM 0 HB2 GLN A 84 5.698 4.881 -0.218 1.00 0.00 H new ATOM 0 HB3 GLN A 84 4.286 5.226 -1.198 1.00 0.00 H new ATOM 0 HG2 GLN A 84 3.252 6.478 0.467 1.00 0.00 H new ATOM 0 HG3 GLN A 84 4.091 5.654 1.767 1.00 0.00 H new ATOM 0 HE21 GLN A 84 6.256 6.234 2.303 1.00 0.00 H new ATOM 0 HE22 GLN A 84 6.935 7.779 1.782 1.00 0.00 H new ATOM 295 N ILE A 85 2.097 3.667 1.646 1.00 0.00 N ATOM 296 CA ILE A 85 0.683 3.773 1.983 1.00 0.00 C ATOM 297 C ILE A 85 0.413 5.005 2.841 1.00 0.00 C ATOM 298 O ILE A 85 1.158 5.297 3.777 1.00 0.00 O ATOM 299 CB ILE A 85 0.186 2.522 2.731 1.00 0.00 C ATOM 300 CG1 ILE A 85 0.464 1.264 1.905 1.00 0.00 C ATOM 301 CG2 ILE A 85 -1.298 2.643 3.040 1.00 0.00 C ATOM 302 CD1 ILE A 85 0.148 -0.021 2.638 1.00 0.00 C ATOM 0 H ILE A 85 2.715 3.552 2.449 1.00 0.00 H new ATOM 0 HA ILE A 85 0.141 3.862 1.042 1.00 0.00 H new ATOM 0 HB ILE A 85 0.727 2.442 3.674 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.124 1.304 0.988 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.514 1.257 1.611 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.633 1.751 3.569 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.469 3.520 3.664 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.856 2.745 2.109 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.369 -0.872 1.993 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.755 -0.083 3.541 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -0.908 -0.035 2.909 1.00 0.00 H new ATOM 314 N ARG A 86 -0.657 5.723 2.517 1.00 0.00 N ATOM 315 CA ARG A 86 -1.026 6.923 3.258 1.00 0.00 C ATOM 316 C ARG A 86 -2.534 6.981 3.482 1.00 0.00 C ATOM 317 O ARG A 86 -3.262 6.060 3.116 1.00 0.00 O ATOM 318 CB ARG A 86 -0.562 8.173 2.510 1.00 0.00 C ATOM 319 CG ARG A 86 0.950 8.289 2.395 1.00 0.00 C ATOM 320 CD ARG A 86 1.354 9.475 1.534 1.00 0.00 C ATOM 321 NE ARG A 86 1.092 10.749 2.198 1.00 0.00 N ATOM 322 CZ ARG A 86 1.027 11.911 1.558 1.00 0.00 C ATOM 323 NH1 ARG A 86 1.203 11.960 0.245 1.00 0.00 N ATOM 324 NH2 ARG A 86 0.784 13.028 2.232 1.00 0.00 N ATOM 0 H ARG A 86 -1.284 5.494 1.746 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.533 6.886 4.229 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.995 8.169 1.510 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.948 9.056 3.020 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.384 8.395 3.389 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.355 7.372 1.966 1.00 0.00 H new ATOM 0 HD2 ARG A 86 2.415 9.403 1.293 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.810 9.440 0.590 1.00 0.00 H new ATOM 0 HE ARG A 86 0.951 10.746 3.208 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.389 11.104 -0.277 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.152 12.854 -0.243 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.647 12.995 3.242 1.00 0.00 H new ATOM 0 HH22 ARG A 86 0.734 13.920 1.740 1.00 0.00 H new ATOM 338 N ASN A 87 -2.995 8.072 4.087 1.00 0.00 N ATOM 339 CA ASN A 87 -4.417 8.250 4.361 1.00 0.00 C ATOM 340 C ASN A 87 -4.937 7.146 5.275 1.00 0.00 C ATOM 341 O ASN A 87 -6.090 6.726 5.165 1.00 0.00 O ATOM 342 CB ASN A 87 -5.212 8.262 3.053 1.00 0.00 C ATOM 343 CG ASN A 87 -5.378 9.660 2.490 1.00 0.00 C ATOM 344 OD1 ASN A 87 -4.408 10.408 2.360 1.00 0.00 O ATOM 345 ND2 ASN A 87 -6.611 10.020 2.154 1.00 0.00 N ATOM 0 H ASN A 87 -2.405 8.845 4.396 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.547 9.207 4.866 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -4.707 7.635 2.318 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -6.195 7.823 3.224 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -6.784 10.949 1.771 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -7.385 9.367 2.279 1.00 0.00 H new ATOM 352 N ILE A 88 -4.081 6.680 6.179 1.00 0.00 N ATOM 353 CA ILE A 88 -4.455 5.627 7.114 1.00 0.00 C ATOM 354 C ILE A 88 -5.020 6.211 8.404 1.00 0.00 C ATOM 355 O ILE A 88 -4.462 7.139 8.990 1.00 0.00 O ATOM 356 CB ILE A 88 -3.255 4.724 7.454 1.00 0.00 C ATOM 357 CG1 ILE A 88 -2.645 4.145 6.176 1.00 0.00 C ATOM 358 CG2 ILE A 88 -3.681 3.609 8.397 1.00 0.00 C ATOM 359 CD1 ILE A 88 -1.299 3.490 6.392 1.00 0.00 C ATOM 0 H ILE A 88 -3.123 7.016 6.283 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.222 5.028 6.624 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.497 5.326 7.955 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.333 3.412 5.754 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.538 4.942 5.440 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.822 2.979 8.628 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.072 4.041 9.318 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.455 3.006 7.922 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.927 3.102 5.444 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.596 4.224 6.785 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.403 2.671 7.103 1.00 0.00 H new ATOM 371 N PRO A 89 -6.153 5.656 8.858 1.00 0.00 N ATOM 372 CA PRO A 89 -6.817 6.105 10.086 1.00 0.00 C ATOM 373 C PRO A 89 -6.024 5.748 11.338 1.00 0.00 C ATOM 374 O PRO A 89 -5.695 4.587 11.584 1.00 0.00 O ATOM 375 CB PRO A 89 -8.150 5.352 10.064 1.00 0.00 C ATOM 376 CG PRO A 89 -7.884 4.136 9.244 1.00 0.00 C ATOM 377 CD PRO A 89 -6.873 4.547 8.210 1.00 0.00 C ATOM 0 HA PRO A 89 -6.925 7.189 10.118 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -8.472 5.088 11.071 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -8.941 5.960 9.625 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -7.502 3.324 9.863 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -8.799 3.775 8.774 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -6.202 3.726 7.956 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.352 4.866 7.284 1.00 0.00 H new ATOM 385 N PRO A 90 -5.709 6.768 12.151 1.00 0.00 N ATOM 386 CA PRO A 90 -4.951 6.585 13.392 1.00 0.00 C ATOM 387 C PRO A 90 -5.756 5.855 14.461 1.00 0.00 C ATOM 388 O PRO A 90 -5.278 5.640 15.575 1.00 0.00 O ATOM 389 CB PRO A 90 -4.648 8.018 13.837 1.00 0.00 C ATOM 390 CG PRO A 90 -5.730 8.841 13.226 1.00 0.00 C ATOM 391 CD PRO A 90 -6.068 8.177 11.920 1.00 0.00 C ATOM 0 HA PRO A 90 -4.061 5.974 13.240 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -4.651 8.104 14.924 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -3.665 8.339 13.494 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -6.602 8.885 13.878 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.398 9.867 13.068 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -7.124 8.288 11.675 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -5.502 8.606 11.093 1.00 0.00 H new ATOM 399 N HIS A 91 -6.982 5.474 14.115 1.00 0.00 N ATOM 400 CA HIS A 91 -7.854 4.765 15.045 1.00 0.00 C ATOM 401 C HIS A 91 -7.657 3.256 14.932 1.00 0.00 C ATOM 402 O HIS A 91 -7.593 2.551 15.940 1.00 0.00 O ATOM 403 CB HIS A 91 -9.316 5.122 14.779 1.00 0.00 C ATOM 404 CG HIS A 91 -9.531 6.569 14.456 1.00 0.00 C ATOM 405 ND1 HIS A 91 -10.452 7.005 13.528 1.00 0.00 N ATOM 406 CD2 HIS A 91 -8.937 7.683 14.946 1.00 0.00 C ATOM 407 CE1 HIS A 91 -10.415 8.324 13.460 1.00 0.00 C ATOM 408 NE2 HIS A 91 -9.504 8.760 14.311 1.00 0.00 N ATOM 0 H HIS A 91 -7.394 5.644 13.198 1.00 0.00 H new ATOM 0 HA HIS A 91 -7.591 5.073 16.057 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -9.685 4.515 13.952 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -9.910 4.862 15.655 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -8.161 7.718 15.697 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -11.026 8.941 12.818 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -9.261 9.738 14.470 1.00 0.00 H new ATOM 416 N LEU A 92 -7.564 2.767 13.701 1.00 0.00 N ATOM 417 CA LEU A 92 -7.376 1.342 13.456 1.00 0.00 C ATOM 418 C LEU A 92 -6.140 0.823 14.184 1.00 0.00 C ATOM 419 O LEU A 92 -5.190 1.567 14.422 1.00 0.00 O ATOM 420 CB LEU A 92 -7.246 1.075 11.955 1.00 0.00 C ATOM 421 CG LEU A 92 -6.499 -0.200 11.562 1.00 0.00 C ATOM 422 CD1 LEU A 92 -7.012 -0.731 10.232 1.00 0.00 C ATOM 423 CD2 LEU A 92 -5.001 0.060 11.493 1.00 0.00 C ATOM 0 H LEU A 92 -7.616 3.337 12.856 1.00 0.00 H new ATOM 0 HA LEU A 92 -8.250 0.815 13.839 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -8.247 1.032 11.526 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -6.739 1.925 11.498 1.00 0.00 H new ATOM 0 HG LEU A 92 -6.682 -0.956 12.326 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -6.469 -1.639 9.969 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -8.075 -0.956 10.316 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -6.860 0.021 9.457 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -4.485 -0.858 11.212 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -4.799 0.832 10.750 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.644 0.393 12.468 1.00 0.00 H new ATOM 435 N GLN A 93 -6.161 -0.460 14.534 1.00 0.00 N ATOM 436 CA GLN A 93 -5.042 -1.078 15.234 1.00 0.00 C ATOM 437 C GLN A 93 -4.081 -1.737 14.250 1.00 0.00 C ATOM 438 O GLN A 93 -4.498 -2.499 13.377 1.00 0.00 O ATOM 439 CB GLN A 93 -5.550 -2.113 16.239 1.00 0.00 C ATOM 440 CG GLN A 93 -6.338 -1.507 17.390 1.00 0.00 C ATOM 441 CD GLN A 93 -7.354 -2.470 17.972 1.00 0.00 C ATOM 442 OE1 GLN A 93 -7.004 -3.557 18.432 1.00 0.00 O ATOM 443 NE2 GLN A 93 -8.622 -2.075 17.955 1.00 0.00 N ATOM 0 H GLN A 93 -6.940 -1.090 14.344 1.00 0.00 H new ATOM 0 HA GLN A 93 -4.505 -0.295 15.769 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -6.180 -2.834 15.718 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -4.700 -2.664 16.642 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -5.648 -1.196 18.174 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -6.851 -0.610 17.042 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -8.868 -1.166 17.564 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -9.350 -2.681 18.333 1.00 0.00 H new ATOM 452 N TRP A 94 -2.795 -1.439 14.396 1.00 0.00 N ATOM 453 CA TRP A 94 -1.776 -2.003 13.519 1.00 0.00 C ATOM 454 C TRP A 94 -1.973 -3.506 13.350 1.00 0.00 C ATOM 455 O TRP A 94 -2.023 -4.012 12.229 1.00 0.00 O ATOM 456 CB TRP A 94 -0.380 -1.719 14.077 1.00 0.00 C ATOM 457 CG TRP A 94 0.700 -1.796 13.041 1.00 0.00 C ATOM 458 CD1 TRP A 94 1.366 -2.916 12.632 1.00 0.00 C ATOM 459 CD2 TRP A 94 1.241 -0.707 12.285 1.00 0.00 C ATOM 460 NE1 TRP A 94 2.288 -2.589 11.667 1.00 0.00 N ATOM 461 CE2 TRP A 94 2.231 -1.240 11.436 1.00 0.00 C ATOM 462 CE3 TRP A 94 0.985 0.666 12.241 1.00 0.00 C ATOM 463 CZ2 TRP A 94 2.962 -0.447 10.556 1.00 0.00 C ATOM 464 CZ3 TRP A 94 1.712 1.452 11.368 1.00 0.00 C ATOM 465 CH2 TRP A 94 2.691 0.894 10.534 1.00 0.00 C ATOM 0 H TRP A 94 -2.433 -0.810 15.113 1.00 0.00 H new ATOM 0 HA TRP A 94 -1.872 -1.531 12.541 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -0.371 -0.726 14.527 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -0.162 -2.432 14.872 1.00 0.00 H new ATOM 0 HD1 TRP A 94 1.193 -3.912 13.011 1.00 0.00 H new ATOM 0 HE1 TRP A 94 2.913 -3.245 11.199 1.00 0.00 H new ATOM 0 HE3 TRP A 94 0.232 1.105 12.878 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 3.717 -0.875 9.913 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 1.523 2.515 11.327 1.00 0.00 H new ATOM 0 HH2 TRP A 94 3.242 1.535 9.861 1.00 0.00 H new ATOM 476 N GLU A 95 -2.086 -4.213 14.470 1.00 0.00 N ATOM 477 CA GLU A 95 -2.278 -5.659 14.444 1.00 0.00 C ATOM 478 C GLU A 95 -3.230 -6.061 13.321 1.00 0.00 C ATOM 479 O GLU A 95 -3.088 -7.128 12.724 1.00 0.00 O ATOM 480 CB GLU A 95 -2.820 -6.148 15.788 1.00 0.00 C ATOM 481 CG GLU A 95 -4.157 -5.532 16.165 1.00 0.00 C ATOM 482 CD GLU A 95 -4.871 -6.309 17.254 1.00 0.00 C ATOM 483 OE1 GLU A 95 -4.618 -6.031 18.445 1.00 0.00 O ATOM 484 OE2 GLU A 95 -5.682 -7.196 16.915 1.00 0.00 O ATOM 0 H GLU A 95 -2.048 -3.809 15.406 1.00 0.00 H new ATOM 0 HA GLU A 95 -1.310 -6.125 14.260 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -2.925 -7.232 15.755 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -2.093 -5.922 16.568 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -3.999 -4.507 16.499 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -4.793 -5.485 15.281 1.00 0.00 H new ATOM 491 N VAL A 96 -4.202 -5.199 13.041 1.00 0.00 N ATOM 492 CA VAL A 96 -5.179 -5.462 11.991 1.00 0.00 C ATOM 493 C VAL A 96 -4.592 -5.180 10.612 1.00 0.00 C ATOM 494 O VAL A 96 -4.802 -5.943 9.668 1.00 0.00 O ATOM 495 CB VAL A 96 -6.450 -4.613 12.180 1.00 0.00 C ATOM 496 CG1 VAL A 96 -7.447 -4.889 11.065 1.00 0.00 C ATOM 497 CG2 VAL A 96 -7.072 -4.882 13.541 1.00 0.00 C ATOM 0 H VAL A 96 -4.334 -4.312 13.527 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.443 -6.517 12.062 1.00 0.00 H new ATOM 0 HB VAL A 96 -6.173 -3.560 12.134 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -8.339 -4.280 11.215 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -6.996 -4.641 10.104 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -7.722 -5.944 11.075 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -7.969 -4.274 13.658 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.336 -5.937 13.618 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -6.357 -4.629 14.324 1.00 0.00 H new ATOM 507 N LEU A 97 -3.856 -4.080 10.502 1.00 0.00 N ATOM 508 CA LEU A 97 -3.238 -3.696 9.238 1.00 0.00 C ATOM 509 C LEU A 97 -2.295 -4.786 8.740 1.00 0.00 C ATOM 510 O LEU A 97 -2.420 -5.262 7.611 1.00 0.00 O ATOM 511 CB LEU A 97 -2.475 -2.380 9.400 1.00 0.00 C ATOM 512 CG LEU A 97 -2.097 -1.660 8.105 1.00 0.00 C ATOM 513 CD1 LEU A 97 -3.342 -1.176 7.379 1.00 0.00 C ATOM 514 CD2 LEU A 97 -1.160 -0.496 8.396 1.00 0.00 C ATOM 0 H LEU A 97 -3.673 -3.438 11.273 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.029 -3.561 8.501 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -3.080 -1.704 10.005 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.562 -2.579 9.961 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.577 -2.366 7.458 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.052 -0.666 6.460 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.976 -2.029 7.137 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.891 -0.486 8.019 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.901 0.005 7.463 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.654 0.211 9.063 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.253 -0.869 8.871 1.00 0.00 H new ATOM 526 N ASP A 98 -1.352 -5.178 9.589 1.00 0.00 N ATOM 527 CA ASP A 98 -0.388 -6.215 9.237 1.00 0.00 C ATOM 528 C ASP A 98 -1.056 -7.326 8.432 1.00 0.00 C ATOM 529 O ASP A 98 -0.605 -7.671 7.340 1.00 0.00 O ATOM 530 CB ASP A 98 0.252 -6.796 10.499 1.00 0.00 C ATOM 531 CG ASP A 98 1.547 -7.528 10.206 1.00 0.00 C ATOM 532 OD1 ASP A 98 1.486 -8.636 9.633 1.00 0.00 O ATOM 533 OD2 ASP A 98 2.621 -6.993 10.550 1.00 0.00 O ATOM 0 H ASP A 98 -1.234 -4.794 10.526 1.00 0.00 H new ATOM 0 HA ASP A 98 0.389 -5.761 8.622 1.00 0.00 H new ATOM 0 HB2 ASP A 98 0.445 -5.991 11.209 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -0.449 -7.481 10.976 1.00 0.00 H new ATOM 538 N SER A 99 -2.131 -7.882 8.980 1.00 0.00 N ATOM 539 CA SER A 99 -2.858 -8.958 8.315 1.00 0.00 C ATOM 540 C SER A 99 -3.375 -8.503 6.954 1.00 0.00 C ATOM 541 O SER A 99 -3.199 -9.192 5.948 1.00 0.00 O ATOM 542 CB SER A 99 -4.025 -9.427 9.186 1.00 0.00 C ATOM 543 OG SER A 99 -3.563 -9.952 10.419 1.00 0.00 O ATOM 0 H SER A 99 -2.518 -7.606 9.882 1.00 0.00 H new ATOM 0 HA SER A 99 -2.170 -9.790 8.163 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.701 -8.593 9.373 1.00 0.00 H new ATOM 0 HB3 SER A 99 -4.597 -10.188 8.655 1.00 0.00 H new ATOM 0 HG SER A 99 -4.328 -10.243 10.958 1.00 0.00 H new ATOM 549 N LEU A 100 -4.016 -7.339 6.930 1.00 0.00 N ATOM 550 CA LEU A 100 -4.560 -6.791 5.693 1.00 0.00 C ATOM 551 C LEU A 100 -3.520 -6.827 4.577 1.00 0.00 C ATOM 552 O LEU A 100 -3.822 -7.201 3.444 1.00 0.00 O ATOM 553 CB LEU A 100 -5.036 -5.354 5.915 1.00 0.00 C ATOM 554 CG LEU A 100 -6.406 -5.196 6.576 1.00 0.00 C ATOM 555 CD1 LEU A 100 -6.555 -3.804 7.169 1.00 0.00 C ATOM 556 CD2 LEU A 100 -7.517 -5.472 5.573 1.00 0.00 C ATOM 0 H LEU A 100 -4.171 -6.757 7.753 1.00 0.00 H new ATOM 0 HA LEU A 100 -5.408 -7.407 5.394 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -4.297 -4.838 6.528 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -5.059 -4.847 4.950 1.00 0.00 H new ATOM 0 HG LEU A 100 -6.484 -5.923 7.384 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.536 -3.710 7.635 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -5.780 -3.643 7.919 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -6.456 -3.059 6.379 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.485 -5.355 6.061 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.441 -4.769 4.744 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.422 -6.490 5.196 1.00 0.00 H new ATOM 568 N LEU A 101 -2.293 -6.437 4.906 1.00 0.00 N ATOM 569 CA LEU A 101 -1.207 -6.426 3.933 1.00 0.00 C ATOM 570 C LEU A 101 -0.828 -7.846 3.524 1.00 0.00 C ATOM 571 O LEU A 101 -0.486 -8.101 2.369 1.00 0.00 O ATOM 572 CB LEU A 101 0.014 -5.707 4.510 1.00 0.00 C ATOM 573 CG LEU A 101 -0.270 -4.422 5.288 1.00 0.00 C ATOM 574 CD1 LEU A 101 0.995 -3.917 5.965 1.00 0.00 C ATOM 575 CD2 LEU A 101 -0.846 -3.356 4.367 1.00 0.00 C ATOM 0 H LEU A 101 -2.026 -6.124 5.839 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.551 -5.892 3.047 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.540 -6.398 5.169 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.692 -5.469 3.690 1.00 0.00 H new ATOM 0 HG LEU A 101 -1.007 -4.643 6.060 1.00 0.00 H new ATOM 0 HD11 LEU A 101 0.773 -3.002 6.514 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.365 -4.674 6.656 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.755 -3.713 5.211 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.042 -2.449 4.938 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.133 -3.138 3.572 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -1.777 -3.717 3.930 1.00 0.00 H new ATOM 587 N VAL A 102 -0.894 -8.769 4.479 1.00 0.00 N ATOM 588 CA VAL A 102 -0.562 -10.164 4.218 1.00 0.00 C ATOM 589 C VAL A 102 -1.605 -10.819 3.319 1.00 0.00 C ATOM 590 O VAL A 102 -1.269 -11.594 2.425 1.00 0.00 O ATOM 591 CB VAL A 102 -0.450 -10.969 5.526 1.00 0.00 C ATOM 592 CG1 VAL A 102 0.001 -12.393 5.241 1.00 0.00 C ATOM 593 CG2 VAL A 102 0.504 -10.283 6.493 1.00 0.00 C ATOM 0 H VAL A 102 -1.174 -8.575 5.440 1.00 0.00 H new ATOM 0 HA VAL A 102 0.404 -10.170 3.713 1.00 0.00 H new ATOM 0 HB VAL A 102 -1.435 -11.012 5.991 1.00 0.00 H new ATOM 0 HG11 VAL A 102 0.074 -12.946 6.178 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -0.723 -12.880 4.588 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.976 -12.375 4.753 1.00 0.00 H new ATOM 0 HG21 VAL A 102 0.571 -10.865 7.412 1.00 0.00 H new ATOM 0 HG22 VAL A 102 1.492 -10.208 6.038 1.00 0.00 H new ATOM 0 HG23 VAL A 102 0.133 -9.284 6.723 1.00 0.00 H new ATOM 603 N GLN A 103 -2.872 -10.500 3.563 1.00 0.00 N ATOM 604 CA GLN A 103 -3.965 -11.057 2.776 1.00 0.00 C ATOM 605 C GLN A 103 -3.658 -10.976 1.284 1.00 0.00 C ATOM 606 O GLN A 103 -3.810 -11.956 0.554 1.00 0.00 O ATOM 607 CB GLN A 103 -5.270 -10.319 3.080 1.00 0.00 C ATOM 608 CG GLN A 103 -5.872 -10.680 4.428 1.00 0.00 C ATOM 609 CD GLN A 103 -7.207 -10.005 4.671 1.00 0.00 C ATOM 610 OE1 GLN A 103 -7.723 -9.296 3.806 1.00 0.00 O ATOM 611 NE2 GLN A 103 -7.775 -10.221 5.851 1.00 0.00 N ATOM 0 H GLN A 103 -3.167 -9.859 4.299 1.00 0.00 H new ATOM 0 HA GLN A 103 -4.077 -12.106 3.050 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -5.086 -9.245 3.049 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -5.994 -10.541 2.296 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -6.000 -11.761 4.487 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -5.177 -10.398 5.219 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -7.312 -10.816 6.539 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -8.674 -9.792 6.070 1.00 0.00 H new ATOM 620 N TYR A 104 -3.225 -9.803 0.837 1.00 0.00 N ATOM 621 CA TYR A 104 -2.899 -9.593 -0.568 1.00 0.00 C ATOM 622 C TYR A 104 -1.779 -10.529 -1.014 1.00 0.00 C ATOM 623 O TYR A 104 -1.939 -11.301 -1.958 1.00 0.00 O ATOM 624 CB TYR A 104 -2.487 -8.139 -0.806 1.00 0.00 C ATOM 625 CG TYR A 104 -3.595 -7.145 -0.539 1.00 0.00 C ATOM 626 CD1 TYR A 104 -4.574 -6.892 -1.492 1.00 0.00 C ATOM 627 CD2 TYR A 104 -3.663 -6.459 0.667 1.00 0.00 C ATOM 628 CE1 TYR A 104 -5.587 -5.984 -1.253 1.00 0.00 C ATOM 629 CE2 TYR A 104 -4.673 -5.550 0.916 1.00 0.00 C ATOM 630 CZ TYR A 104 -5.633 -5.316 -0.047 1.00 0.00 C ATOM 631 OH TYR A 104 -6.641 -4.412 0.196 1.00 0.00 O ATOM 0 H TYR A 104 -3.092 -8.982 1.428 1.00 0.00 H new ATOM 0 HA TYR A 104 -3.789 -9.813 -1.157 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -1.636 -7.902 -0.168 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -2.152 -8.029 -1.837 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -4.542 -7.415 -2.437 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -2.913 -6.639 1.423 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -6.339 -5.798 -2.006 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -4.711 -5.025 1.859 1.00 0.00 H new ATOM 0 HH TYR A 104 -6.529 -4.030 1.092 1.00 0.00 H new ATOM 641 N GLY A 105 -0.644 -10.454 -0.325 1.00 0.00 N ATOM 642 CA GLY A 105 0.486 -11.299 -0.662 1.00 0.00 C ATOM 643 C GLY A 105 1.414 -11.523 0.515 1.00 0.00 C ATOM 644 O GLY A 105 1.002 -11.417 1.669 1.00 0.00 O ATOM 0 H GLY A 105 -0.487 -9.823 0.461 1.00 0.00 H new ATOM 0 HA2 GLY A 105 0.122 -12.261 -1.022 1.00 0.00 H new ATOM 0 HA3 GLY A 105 1.045 -10.844 -1.480 1.00 0.00 H new ATOM 648 N VAL A 106 2.673 -11.835 0.222 1.00 0.00 N ATOM 649 CA VAL A 106 3.663 -12.076 1.265 1.00 0.00 C ATOM 650 C VAL A 106 4.458 -10.811 1.570 1.00 0.00 C ATOM 651 O VAL A 106 5.461 -10.523 0.918 1.00 0.00 O ATOM 652 CB VAL A 106 4.639 -13.198 0.865 1.00 0.00 C ATOM 653 CG1 VAL A 106 5.720 -13.368 1.922 1.00 0.00 C ATOM 654 CG2 VAL A 106 3.888 -14.502 0.644 1.00 0.00 C ATOM 0 H VAL A 106 3.031 -11.927 -0.729 1.00 0.00 H new ATOM 0 HA VAL A 106 3.115 -12.382 2.156 1.00 0.00 H new ATOM 0 HB VAL A 106 5.122 -12.920 -0.072 1.00 0.00 H new ATOM 0 HG11 VAL A 106 6.400 -14.165 1.622 1.00 0.00 H new ATOM 0 HG12 VAL A 106 6.276 -12.437 2.027 1.00 0.00 H new ATOM 0 HG13 VAL A 106 5.259 -13.624 2.876 1.00 0.00 H new ATOM 0 HG21 VAL A 106 4.593 -15.284 0.362 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.377 -14.788 1.563 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.155 -14.369 -0.152 1.00 0.00 H new ATOM 664 N VAL A 107 4.003 -10.059 2.567 1.00 0.00 N ATOM 665 CA VAL A 107 4.673 -8.825 2.961 1.00 0.00 C ATOM 666 C VAL A 107 6.023 -9.114 3.607 1.00 0.00 C ATOM 667 O VAL A 107 6.107 -9.353 4.811 1.00 0.00 O ATOM 668 CB VAL A 107 3.811 -8.007 3.941 1.00 0.00 C ATOM 669 CG1 VAL A 107 3.259 -8.901 5.041 1.00 0.00 C ATOM 670 CG2 VAL A 107 4.619 -6.860 4.531 1.00 0.00 C ATOM 0 H VAL A 107 3.173 -10.283 3.117 1.00 0.00 H new ATOM 0 HA VAL A 107 4.827 -8.244 2.052 1.00 0.00 H new ATOM 0 HB VAL A 107 2.969 -7.585 3.392 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.653 -8.306 5.724 1.00 0.00 H new ATOM 0 HG12 VAL A 107 2.644 -9.685 4.599 1.00 0.00 H new ATOM 0 HG13 VAL A 107 4.084 -9.354 5.590 1.00 0.00 H new ATOM 0 HG21 VAL A 107 3.995 -6.292 5.221 1.00 0.00 H new ATOM 0 HG22 VAL A 107 5.481 -7.259 5.066 1.00 0.00 H new ATOM 0 HG23 VAL A 107 4.961 -6.206 3.729 1.00 0.00 H new ATOM 680 N GLU A 108 7.077 -9.090 2.798 1.00 0.00 N ATOM 681 CA GLU A 108 8.424 -9.351 3.292 1.00 0.00 C ATOM 682 C GLU A 108 8.682 -8.596 4.593 1.00 0.00 C ATOM 683 O GLU A 108 9.025 -9.194 5.613 1.00 0.00 O ATOM 684 CB GLU A 108 9.463 -8.950 2.243 1.00 0.00 C ATOM 685 CG GLU A 108 10.737 -9.776 2.300 1.00 0.00 C ATOM 686 CD GLU A 108 11.572 -9.476 3.529 1.00 0.00 C ATOM 687 OE1 GLU A 108 11.804 -8.283 3.813 1.00 0.00 O ATOM 688 OE2 GLU A 108 11.995 -10.436 4.207 1.00 0.00 O ATOM 0 H GLU A 108 7.025 -8.893 1.799 1.00 0.00 H new ATOM 0 HA GLU A 108 8.510 -10.420 3.488 1.00 0.00 H new ATOM 0 HB2 GLU A 108 9.021 -9.047 1.251 1.00 0.00 H new ATOM 0 HB3 GLU A 108 9.716 -7.898 2.378 1.00 0.00 H new ATOM 0 HG2 GLU A 108 10.480 -10.835 2.290 1.00 0.00 H new ATOM 0 HG3 GLU A 108 11.331 -9.584 1.406 1.00 0.00 H new ATOM 695 N SER A 109 8.514 -7.278 4.549 1.00 0.00 N ATOM 696 CA SER A 109 8.733 -6.440 5.722 1.00 0.00 C ATOM 697 C SER A 109 7.856 -5.192 5.669 1.00 0.00 C ATOM 698 O SER A 109 7.570 -4.666 4.593 1.00 0.00 O ATOM 699 CB SER A 109 10.206 -6.038 5.821 1.00 0.00 C ATOM 700 OG SER A 109 10.530 -5.608 7.132 1.00 0.00 O ATOM 0 H SER A 109 8.227 -6.768 3.714 1.00 0.00 H new ATOM 0 HA SER A 109 8.461 -7.017 6.606 1.00 0.00 H new ATOM 0 HB2 SER A 109 10.836 -6.884 5.546 1.00 0.00 H new ATOM 0 HB3 SER A 109 10.417 -5.239 5.110 1.00 0.00 H new ATOM 0 HG SER A 109 11.477 -5.358 7.170 1.00 0.00 H new ATOM 706 N CYS A 110 7.433 -4.725 6.838 1.00 0.00 N ATOM 707 CA CYS A 110 6.588 -3.539 6.927 1.00 0.00 C ATOM 708 C CYS A 110 7.318 -2.403 7.635 1.00 0.00 C ATOM 709 O CYS A 110 7.369 -2.356 8.864 1.00 0.00 O ATOM 710 CB CYS A 110 5.290 -3.867 7.666 1.00 0.00 C ATOM 711 SG CYS A 110 4.187 -2.450 7.885 1.00 0.00 S ATOM 0 H CYS A 110 7.661 -5.149 7.737 1.00 0.00 H new ATOM 0 HA CYS A 110 6.349 -3.216 5.914 1.00 0.00 H new ATOM 0 HB2 CYS A 110 4.759 -4.646 7.118 1.00 0.00 H new ATOM 0 HB3 CYS A 110 5.536 -4.277 8.645 1.00 0.00 H new ATOM 0 HG CYS A 110 3.116 -2.827 8.518 1.00 0.00 H new ATOM 717 N GLU A 111 7.882 -1.490 6.851 1.00 0.00 N ATOM 718 CA GLU A 111 8.612 -0.355 7.405 1.00 0.00 C ATOM 719 C GLU A 111 7.670 0.812 7.687 1.00 0.00 C ATOM 720 O GLU A 111 6.659 0.985 7.008 1.00 0.00 O ATOM 721 CB GLU A 111 9.716 0.089 6.442 1.00 0.00 C ATOM 722 CG GLU A 111 10.731 1.028 7.071 1.00 0.00 C ATOM 723 CD GLU A 111 11.322 0.475 8.353 1.00 0.00 C ATOM 724 OE1 GLU A 111 12.090 -0.508 8.276 1.00 0.00 O ATOM 725 OE2 GLU A 111 11.018 1.023 9.433 1.00 0.00 O ATOM 0 H GLU A 111 7.848 -1.514 5.832 1.00 0.00 H new ATOM 0 HA GLU A 111 9.064 -0.671 8.345 1.00 0.00 H new ATOM 0 HB2 GLU A 111 10.234 -0.793 6.065 1.00 0.00 H new ATOM 0 HB3 GLU A 111 9.261 0.582 5.583 1.00 0.00 H new ATOM 0 HG2 GLU A 111 11.533 1.219 6.359 1.00 0.00 H new ATOM 0 HG3 GLU A 111 10.254 1.986 7.279 1.00 0.00 H new ATOM 732 N GLN A 112 8.010 1.608 8.696 1.00 0.00 N ATOM 733 CA GLN A 112 7.194 2.758 9.069 1.00 0.00 C ATOM 734 C GLN A 112 7.792 4.050 8.523 1.00 0.00 C ATOM 735 O GLN A 112 9.007 4.166 8.364 1.00 0.00 O ATOM 736 CB GLN A 112 7.066 2.845 10.591 1.00 0.00 C ATOM 737 CG GLN A 112 6.001 3.826 11.056 1.00 0.00 C ATOM 738 CD GLN A 112 5.377 3.425 12.378 1.00 0.00 C ATOM 739 OE1 GLN A 112 6.063 3.319 13.395 1.00 0.00 O ATOM 740 NE2 GLN A 112 4.068 3.202 12.372 1.00 0.00 N ATOM 0 H GLN A 112 8.844 1.478 9.269 1.00 0.00 H new ATOM 0 HA GLN A 112 6.203 2.626 8.634 1.00 0.00 H new ATOM 0 HB2 GLN A 112 6.834 1.856 10.985 1.00 0.00 H new ATOM 0 HB3 GLN A 112 8.028 3.138 11.012 1.00 0.00 H new ATOM 0 HG2 GLN A 112 6.443 4.818 11.153 1.00 0.00 H new ATOM 0 HG3 GLN A 112 5.222 3.897 10.297 1.00 0.00 H new ATOM 0 HE21 GLN A 112 3.538 3.301 11.506 1.00 0.00 H new ATOM 0 HE22 GLN A 112 3.593 2.931 13.233 1.00 0.00 H new ATOM 749 N VAL A 113 6.929 5.020 8.236 1.00 0.00 N ATOM 750 CA VAL A 113 7.372 6.305 7.708 1.00 0.00 C ATOM 751 C VAL A 113 6.404 7.419 8.090 1.00 0.00 C ATOM 752 O VAL A 113 5.256 7.162 8.450 1.00 0.00 O ATOM 753 CB VAL A 113 7.509 6.264 6.174 1.00 0.00 C ATOM 754 CG1 VAL A 113 8.173 7.533 5.663 1.00 0.00 C ATOM 755 CG2 VAL A 113 8.291 5.032 5.742 1.00 0.00 C ATOM 0 H VAL A 113 5.920 4.940 8.360 1.00 0.00 H new ATOM 0 HA VAL A 113 8.348 6.508 8.148 1.00 0.00 H new ATOM 0 HB VAL A 113 6.511 6.204 5.739 1.00 0.00 H new ATOM 0 HG11 VAL A 113 8.261 7.486 4.578 1.00 0.00 H new ATOM 0 HG12 VAL A 113 7.569 8.397 5.941 1.00 0.00 H new ATOM 0 HG13 VAL A 113 9.165 7.627 6.104 1.00 0.00 H new ATOM 0 HG21 VAL A 113 8.378 5.019 4.656 1.00 0.00 H new ATOM 0 HG22 VAL A 113 9.286 5.059 6.186 1.00 0.00 H new ATOM 0 HG23 VAL A 113 7.769 4.135 6.075 1.00 0.00 H new ATOM 765 N ASN A 114 6.876 8.659 8.011 1.00 0.00 N ATOM 766 CA ASN A 114 6.053 9.814 8.349 1.00 0.00 C ATOM 767 C ASN A 114 6.263 10.945 7.347 1.00 0.00 C ATOM 768 O ASN A 114 7.302 11.607 7.349 1.00 0.00 O ATOM 769 CB ASN A 114 6.378 10.302 9.762 1.00 0.00 C ATOM 770 CG ASN A 114 5.504 9.649 10.815 1.00 0.00 C ATOM 771 OD1 ASN A 114 4.995 8.546 10.618 1.00 0.00 O ATOM 772 ND2 ASN A 114 5.326 10.330 11.941 1.00 0.00 N ATOM 0 H ASN A 114 7.825 8.889 7.716 1.00 0.00 H new ATOM 0 HA ASN A 114 5.008 9.508 8.309 1.00 0.00 H new ATOM 0 HB2 ASN A 114 7.425 10.094 9.983 1.00 0.00 H new ATOM 0 HB3 ASN A 114 6.251 11.384 9.808 1.00 0.00 H new ATOM 0 HD21 ASN A 114 4.748 9.942 12.686 1.00 0.00 H new ATOM 0 HD22 ASN A 114 5.768 11.242 12.061 1.00 0.00 H new ATOM 779 N THR A 115 5.270 11.162 6.490 1.00 0.00 N ATOM 780 CA THR A 115 5.346 12.212 5.482 1.00 0.00 C ATOM 781 C THR A 115 4.787 13.526 6.014 1.00 0.00 C ATOM 782 O THR A 115 4.305 14.361 5.248 1.00 0.00 O ATOM 783 CB THR A 115 4.580 11.820 4.204 1.00 0.00 C ATOM 784 OG1 THR A 115 4.862 12.756 3.158 1.00 0.00 O ATOM 785 CG2 THR A 115 3.082 11.778 4.464 1.00 0.00 C ATOM 0 H THR A 115 4.403 10.624 6.474 1.00 0.00 H new ATOM 0 HA THR A 115 6.401 12.342 5.239 1.00 0.00 H new ATOM 0 HB THR A 115 4.908 10.826 3.899 1.00 0.00 H new ATOM 0 HG1 THR A 115 4.708 13.667 3.484 1.00 0.00 H new ATOM 0 HG21 THR A 115 2.561 11.499 3.548 1.00 0.00 H new ATOM 0 HG22 THR A 115 2.868 11.044 5.241 1.00 0.00 H new ATOM 0 HG23 THR A 115 2.742 12.761 4.790 1.00 0.00 H new ATOM 793 N ASP A 116 4.854 13.704 7.328 1.00 0.00 N ATOM 794 CA ASP A 116 4.356 14.918 7.963 1.00 0.00 C ATOM 795 C ASP A 116 2.859 15.085 7.718 1.00 0.00 C ATOM 796 O ASP A 116 2.380 16.191 7.470 1.00 0.00 O ATOM 797 CB ASP A 116 5.110 16.141 7.437 1.00 0.00 C ATOM 798 CG ASP A 116 4.899 17.368 8.301 1.00 0.00 C ATOM 799 OD1 ASP A 116 5.097 17.269 9.530 1.00 0.00 O ATOM 800 OD2 ASP A 116 4.534 18.427 7.749 1.00 0.00 O ATOM 0 H ASP A 116 5.249 13.022 7.975 1.00 0.00 H new ATOM 0 HA ASP A 116 4.523 14.831 9.037 1.00 0.00 H new ATOM 0 HB2 ASP A 116 6.175 15.914 7.388 1.00 0.00 H new ATOM 0 HB3 ASP A 116 4.783 16.356 6.420 1.00 0.00 H new ATOM 805 N SER A 117 2.127 13.978 7.788 1.00 0.00 N ATOM 806 CA SER A 117 0.685 14.000 7.569 1.00 0.00 C ATOM 807 C SER A 117 -0.060 13.501 8.803 1.00 0.00 C ATOM 808 O SER A 117 0.482 12.736 9.600 1.00 0.00 O ATOM 809 CB SER A 117 0.319 13.141 6.357 1.00 0.00 C ATOM 810 OG SER A 117 -1.077 13.165 6.118 1.00 0.00 O ATOM 0 H SER A 117 2.508 13.055 7.995 1.00 0.00 H new ATOM 0 HA SER A 117 0.387 15.031 7.379 1.00 0.00 H new ATOM 0 HB2 SER A 117 0.848 13.505 5.476 1.00 0.00 H new ATOM 0 HB3 SER A 117 0.645 12.114 6.523 1.00 0.00 H new ATOM 0 HG SER A 117 -1.285 12.610 5.338 1.00 0.00 H new ATOM 816 N GLU A 118 -1.305 13.942 8.954 1.00 0.00 N ATOM 817 CA GLU A 118 -2.124 13.542 10.091 1.00 0.00 C ATOM 818 C GLU A 118 -2.283 12.025 10.140 1.00 0.00 C ATOM 819 O GLU A 118 -1.948 11.385 11.137 1.00 0.00 O ATOM 820 CB GLU A 118 -3.499 14.208 10.018 1.00 0.00 C ATOM 821 CG GLU A 118 -3.559 15.559 10.711 1.00 0.00 C ATOM 822 CD GLU A 118 -3.944 15.448 12.173 1.00 0.00 C ATOM 823 OE1 GLU A 118 -5.138 15.212 12.455 1.00 0.00 O ATOM 824 OE2 GLU A 118 -3.053 15.597 13.035 1.00 0.00 O ATOM 0 H GLU A 118 -1.768 14.576 8.303 1.00 0.00 H new ATOM 0 HA GLU A 118 -1.620 13.867 11.001 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -3.777 14.333 8.972 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -4.239 13.545 10.468 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -2.588 16.048 10.631 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -4.279 16.195 10.197 1.00 0.00 H new ATOM 831 N THR A 119 -2.799 11.455 9.055 1.00 0.00 N ATOM 832 CA THR A 119 -3.005 10.014 8.973 1.00 0.00 C ATOM 833 C THR A 119 -1.693 9.260 9.157 1.00 0.00 C ATOM 834 O THR A 119 -0.614 9.849 9.100 1.00 0.00 O ATOM 835 CB THR A 119 -3.631 9.612 7.624 1.00 0.00 C ATOM 836 OG1 THR A 119 -2.910 10.223 6.548 1.00 0.00 O ATOM 837 CG2 THR A 119 -5.093 10.026 7.561 1.00 0.00 C ATOM 0 H THR A 119 -3.082 11.970 8.221 1.00 0.00 H new ATOM 0 HA THR A 119 -3.690 9.746 9.777 1.00 0.00 H new ATOM 0 HB THR A 119 -3.573 8.528 7.530 1.00 0.00 H new ATOM 0 HG1 THR A 119 -3.515 10.796 6.033 1.00 0.00 H new ATOM 0 HG21 THR A 119 -5.513 9.732 6.599 1.00 0.00 H new ATOM 0 HG22 THR A 119 -5.645 9.536 8.363 1.00 0.00 H new ATOM 0 HG23 THR A 119 -5.170 11.107 7.675 1.00 0.00 H new ATOM 845 N ALA A 120 -1.794 7.953 9.378 1.00 0.00 N ATOM 846 CA ALA A 120 -0.614 7.117 9.568 1.00 0.00 C ATOM 847 C ALA A 120 0.018 6.748 8.230 1.00 0.00 C ATOM 848 O ALA A 120 -0.678 6.371 7.286 1.00 0.00 O ATOM 849 CB ALA A 120 -0.977 5.862 10.347 1.00 0.00 C ATOM 0 H ALA A 120 -2.680 7.450 9.430 1.00 0.00 H new ATOM 0 HA ALA A 120 0.117 7.687 10.140 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -0.087 5.247 10.482 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -1.376 6.142 11.322 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -1.729 5.297 9.796 1.00 0.00 H new ATOM 855 N VAL A 121 1.340 6.860 8.154 1.00 0.00 N ATOM 856 CA VAL A 121 2.066 6.537 6.932 1.00 0.00 C ATOM 857 C VAL A 121 2.985 5.338 7.139 1.00 0.00 C ATOM 858 O VAL A 121 3.756 5.291 8.097 1.00 0.00 O ATOM 859 CB VAL A 121 2.904 7.734 6.444 1.00 0.00 C ATOM 860 CG1 VAL A 121 3.641 7.383 5.161 1.00 0.00 C ATOM 861 CG2 VAL A 121 2.020 8.956 6.244 1.00 0.00 C ATOM 0 H VAL A 121 1.930 7.172 8.925 1.00 0.00 H new ATOM 0 HA VAL A 121 1.320 6.293 6.176 1.00 0.00 H new ATOM 0 HB VAL A 121 3.646 7.971 7.207 1.00 0.00 H new ATOM 0 HG11 VAL A 121 4.227 8.241 4.832 1.00 0.00 H new ATOM 0 HG12 VAL A 121 4.305 6.538 5.342 1.00 0.00 H new ATOM 0 HG13 VAL A 121 2.920 7.118 4.388 1.00 0.00 H new ATOM 0 HG21 VAL A 121 2.628 9.792 5.899 1.00 0.00 H new ATOM 0 HG22 VAL A 121 1.254 8.733 5.501 1.00 0.00 H new ATOM 0 HG23 VAL A 121 1.544 9.219 7.188 1.00 0.00 H new ATOM 871 N VAL A 122 2.898 4.370 6.232 1.00 0.00 N ATOM 872 CA VAL A 122 3.722 3.170 6.314 1.00 0.00 C ATOM 873 C VAL A 122 4.107 2.673 4.925 1.00 0.00 C ATOM 874 O VAL A 122 3.434 2.971 3.939 1.00 0.00 O ATOM 875 CB VAL A 122 2.997 2.040 7.069 1.00 0.00 C ATOM 876 CG1 VAL A 122 1.871 1.468 6.221 1.00 0.00 C ATOM 877 CG2 VAL A 122 3.980 0.951 7.469 1.00 0.00 C ATOM 0 H VAL A 122 2.265 4.393 5.432 1.00 0.00 H new ATOM 0 HA VAL A 122 4.623 3.442 6.863 1.00 0.00 H new ATOM 0 HB VAL A 122 2.561 2.455 7.977 1.00 0.00 H new ATOM 0 HG11 VAL A 122 1.370 0.671 6.771 1.00 0.00 H new ATOM 0 HG12 VAL A 122 1.154 2.255 5.990 1.00 0.00 H new ATOM 0 HG13 VAL A 122 2.281 1.067 5.294 1.00 0.00 H new ATOM 0 HG21 VAL A 122 3.451 0.161 8.001 1.00 0.00 H new ATOM 0 HG22 VAL A 122 4.447 0.537 6.576 1.00 0.00 H new ATOM 0 HG23 VAL A 122 4.748 1.374 8.117 1.00 0.00 H new ATOM 887 N ASN A 123 5.195 1.912 4.855 1.00 0.00 N ATOM 888 CA ASN A 123 5.671 1.373 3.587 1.00 0.00 C ATOM 889 C ASN A 123 5.690 -0.153 3.617 1.00 0.00 C ATOM 890 O ASN A 123 6.319 -0.759 4.484 1.00 0.00 O ATOM 891 CB ASN A 123 7.071 1.905 3.275 1.00 0.00 C ATOM 892 CG ASN A 123 7.055 3.361 2.852 1.00 0.00 C ATOM 893 OD1 ASN A 123 5.992 3.964 2.701 1.00 0.00 O ATOM 894 ND2 ASN A 123 8.237 3.934 2.659 1.00 0.00 N ATOM 0 H ASN A 123 5.763 1.655 5.662 1.00 0.00 H new ATOM 0 HA ASN A 123 4.985 1.695 2.804 1.00 0.00 H new ATOM 0 HB2 ASN A 123 7.704 1.792 4.155 1.00 0.00 H new ATOM 0 HB3 ASN A 123 7.517 1.304 2.482 1.00 0.00 H new ATOM 0 HD21 ASN A 123 8.289 4.912 2.374 1.00 0.00 H new ATOM 0 HD22 ASN A 123 9.093 3.396 2.796 1.00 0.00 H new ATOM 901 N VAL A 124 4.996 -0.767 2.664 1.00 0.00 N ATOM 902 CA VAL A 124 4.934 -2.221 2.579 1.00 0.00 C ATOM 903 C VAL A 124 5.930 -2.755 1.556 1.00 0.00 C ATOM 904 O VAL A 124 6.107 -2.177 0.484 1.00 0.00 O ATOM 905 CB VAL A 124 3.520 -2.701 2.202 1.00 0.00 C ATOM 906 CG1 VAL A 124 3.505 -4.209 1.998 1.00 0.00 C ATOM 907 CG2 VAL A 124 2.516 -2.290 3.268 1.00 0.00 C ATOM 0 H VAL A 124 4.469 -0.280 1.940 1.00 0.00 H new ATOM 0 HA VAL A 124 5.190 -2.607 3.566 1.00 0.00 H new ATOM 0 HB VAL A 124 3.233 -2.228 1.263 1.00 0.00 H new ATOM 0 HG11 VAL A 124 2.498 -4.530 1.732 1.00 0.00 H new ATOM 0 HG12 VAL A 124 4.194 -4.475 1.196 1.00 0.00 H new ATOM 0 HG13 VAL A 124 3.812 -4.704 2.919 1.00 0.00 H new ATOM 0 HG21 VAL A 124 1.522 -2.637 2.985 1.00 0.00 H new ATOM 0 HG22 VAL A 124 2.797 -2.734 4.223 1.00 0.00 H new ATOM 0 HG23 VAL A 124 2.508 -1.204 3.361 1.00 0.00 H new ATOM 917 N THR A 125 6.580 -3.864 1.895 1.00 0.00 N ATOM 918 CA THR A 125 7.560 -4.477 1.007 1.00 0.00 C ATOM 919 C THR A 125 7.263 -5.958 0.799 1.00 0.00 C ATOM 920 O THR A 125 7.640 -6.797 1.616 1.00 0.00 O ATOM 921 CB THR A 125 8.990 -4.325 1.558 1.00 0.00 C ATOM 922 OG1 THR A 125 9.199 -2.984 2.014 1.00 0.00 O ATOM 923 CG2 THR A 125 10.020 -4.670 0.492 1.00 0.00 C ATOM 0 H THR A 125 6.445 -4.356 2.778 1.00 0.00 H new ATOM 0 HA THR A 125 7.489 -3.957 0.052 1.00 0.00 H new ATOM 0 HB THR A 125 9.109 -5.015 2.393 1.00 0.00 H new ATOM 0 HG1 THR A 125 10.110 -2.896 2.364 1.00 0.00 H new ATOM 0 HG21 THR A 125 11.023 -4.555 0.904 1.00 0.00 H new ATOM 0 HG22 THR A 125 9.877 -5.701 0.168 1.00 0.00 H new ATOM 0 HG23 THR A 125 9.899 -4.001 -0.360 1.00 0.00 H new ATOM 931 N TYR A 126 6.585 -6.272 -0.300 1.00 0.00 N ATOM 932 CA TYR A 126 6.236 -7.652 -0.614 1.00 0.00 C ATOM 933 C TYR A 126 7.429 -8.393 -1.210 1.00 0.00 C ATOM 934 O TYR A 126 8.479 -7.802 -1.461 1.00 0.00 O ATOM 935 CB TYR A 126 5.057 -7.693 -1.588 1.00 0.00 C ATOM 936 CG TYR A 126 3.739 -7.299 -0.961 1.00 0.00 C ATOM 937 CD1 TYR A 126 3.126 -8.114 -0.017 1.00 0.00 C ATOM 938 CD2 TYR A 126 3.108 -6.111 -1.310 1.00 0.00 C ATOM 939 CE1 TYR A 126 1.921 -7.758 0.558 1.00 0.00 C ATOM 940 CE2 TYR A 126 1.904 -5.747 -0.739 1.00 0.00 C ATOM 941 CZ TYR A 126 1.314 -6.574 0.194 1.00 0.00 C ATOM 942 OH TYR A 126 0.115 -6.216 0.766 1.00 0.00 O ATOM 0 H TYR A 126 6.267 -5.589 -0.988 1.00 0.00 H new ATOM 0 HA TYR A 126 5.950 -8.148 0.313 1.00 0.00 H new ATOM 0 HB2 TYR A 126 5.265 -7.027 -2.425 1.00 0.00 H new ATOM 0 HB3 TYR A 126 4.969 -8.700 -1.996 1.00 0.00 H new ATOM 0 HD1 TYR A 126 3.599 -9.041 0.272 1.00 0.00 H new ATOM 0 HD2 TYR A 126 3.567 -5.461 -2.040 1.00 0.00 H new ATOM 0 HE1 TYR A 126 1.457 -8.404 1.289 1.00 0.00 H new ATOM 0 HE2 TYR A 126 1.427 -4.820 -1.022 1.00 0.00 H new ATOM 0 HH TYR A 126 -0.304 -7.005 1.169 1.00 0.00 H new ATOM 952 N SER A 127 7.258 -9.692 -1.435 1.00 0.00 N ATOM 953 CA SER A 127 8.320 -10.517 -1.999 1.00 0.00 C ATOM 954 C SER A 127 8.210 -10.579 -3.519 1.00 0.00 C ATOM 955 O SER A 127 9.203 -10.428 -4.231 1.00 0.00 O ATOM 956 CB SER A 127 8.263 -11.929 -1.414 1.00 0.00 C ATOM 957 OG SER A 127 9.405 -12.681 -1.784 1.00 0.00 O ATOM 0 H SER A 127 6.394 -10.196 -1.235 1.00 0.00 H new ATOM 0 HA SER A 127 9.276 -10.063 -1.740 1.00 0.00 H new ATOM 0 HB2 SER A 127 8.197 -11.873 -0.327 1.00 0.00 H new ATOM 0 HB3 SER A 127 7.362 -12.434 -1.763 1.00 0.00 H new ATOM 0 HG SER A 127 9.345 -13.579 -1.396 1.00 0.00 H new ATOM 963 N SER A 128 6.995 -10.804 -4.010 1.00 0.00 N ATOM 964 CA SER A 128 6.755 -10.891 -5.446 1.00 0.00 C ATOM 965 C SER A 128 6.146 -9.595 -5.973 1.00 0.00 C ATOM 966 O SER A 128 5.674 -8.758 -5.204 1.00 0.00 O ATOM 967 CB SER A 128 5.830 -12.068 -5.759 1.00 0.00 C ATOM 968 OG SER A 128 6.301 -13.261 -5.158 1.00 0.00 O ATOM 0 H SER A 128 6.162 -10.929 -3.435 1.00 0.00 H new ATOM 0 HA SER A 128 7.713 -11.050 -5.942 1.00 0.00 H new ATOM 0 HB2 SER A 128 4.824 -11.849 -5.401 1.00 0.00 H new ATOM 0 HB3 SER A 128 5.761 -12.203 -6.838 1.00 0.00 H new ATOM 0 HG SER A 128 5.691 -13.998 -5.372 1.00 0.00 H new ATOM 974 N LYS A 129 6.159 -9.437 -7.293 1.00 0.00 N ATOM 975 CA LYS A 129 5.607 -8.246 -7.927 1.00 0.00 C ATOM 976 C LYS A 129 4.088 -8.338 -8.028 1.00 0.00 C ATOM 977 O LYS A 129 3.373 -7.421 -7.623 1.00 0.00 O ATOM 978 CB LYS A 129 6.211 -8.058 -9.320 1.00 0.00 C ATOM 979 CG LYS A 129 7.539 -7.321 -9.313 1.00 0.00 C ATOM 980 CD LYS A 129 7.353 -5.840 -9.029 1.00 0.00 C ATOM 981 CE LYS A 129 8.534 -5.023 -9.531 1.00 0.00 C ATOM 982 NZ LYS A 129 8.338 -4.570 -10.936 1.00 0.00 N ATOM 0 H LYS A 129 6.546 -10.120 -7.944 1.00 0.00 H new ATOM 0 HA LYS A 129 5.861 -7.385 -7.309 1.00 0.00 H new ATOM 0 HB2 LYS A 129 6.350 -9.036 -9.781 1.00 0.00 H new ATOM 0 HB3 LYS A 129 5.504 -7.509 -9.942 1.00 0.00 H new ATOM 0 HG2 LYS A 129 8.194 -7.757 -8.559 1.00 0.00 H new ATOM 0 HG3 LYS A 129 8.032 -7.449 -10.277 1.00 0.00 H new ATOM 0 HD2 LYS A 129 6.438 -5.489 -9.506 1.00 0.00 H new ATOM 0 HD3 LYS A 129 7.233 -5.686 -7.957 1.00 0.00 H new ATOM 0 HE2 LYS A 129 8.676 -4.156 -8.886 1.00 0.00 H new ATOM 0 HE3 LYS A 129 9.443 -5.621 -9.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 9.164 -4.017 -11.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 8.228 -5.398 -11.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 7.485 -3.978 -10.994 1.00 0.00 H new ATOM 996 N ASP A 130 3.601 -9.449 -8.570 1.00 0.00 N ATOM 997 CA ASP A 130 2.167 -9.661 -8.722 1.00 0.00 C ATOM 998 C ASP A 130 1.443 -9.450 -7.395 1.00 0.00 C ATOM 999 O ASP A 130 0.388 -8.819 -7.347 1.00 0.00 O ATOM 1000 CB ASP A 130 1.891 -11.070 -9.249 1.00 0.00 C ATOM 1001 CG ASP A 130 2.333 -11.245 -10.689 1.00 0.00 C ATOM 1002 OD1 ASP A 130 3.543 -11.457 -10.917 1.00 0.00 O ATOM 1003 OD2 ASP A 130 1.469 -11.172 -11.587 1.00 0.00 O ATOM 0 H ASP A 130 4.179 -10.217 -8.911 1.00 0.00 H new ATOM 0 HA ASP A 130 1.791 -8.933 -9.441 1.00 0.00 H new ATOM 0 HB2 ASP A 130 2.407 -11.797 -8.622 1.00 0.00 H new ATOM 0 HB3 ASP A 130 0.825 -11.282 -9.171 1.00 0.00 H new ATOM 1008 N GLN A 131 2.017 -9.985 -6.322 1.00 0.00 N ATOM 1009 CA GLN A 131 1.425 -9.857 -4.996 1.00 0.00 C ATOM 1010 C GLN A 131 1.305 -8.391 -4.593 1.00 0.00 C ATOM 1011 O GLN A 131 0.336 -7.992 -3.947 1.00 0.00 O ATOM 1012 CB GLN A 131 2.263 -10.615 -3.965 1.00 0.00 C ATOM 1013 CG GLN A 131 1.897 -12.086 -3.846 1.00 0.00 C ATOM 1014 CD GLN A 131 2.690 -12.800 -2.770 1.00 0.00 C ATOM 1015 OE1 GLN A 131 2.131 -13.534 -1.954 1.00 0.00 O ATOM 1016 NE2 GLN A 131 4.001 -12.588 -2.762 1.00 0.00 N ATOM 0 H GLN A 131 2.891 -10.511 -6.345 1.00 0.00 H new ATOM 0 HA GLN A 131 0.425 -10.289 -5.029 1.00 0.00 H new ATOM 0 HB2 GLN A 131 3.316 -10.532 -4.233 1.00 0.00 H new ATOM 0 HB3 GLN A 131 2.143 -10.140 -2.991 1.00 0.00 H new ATOM 0 HG2 GLN A 131 0.833 -12.175 -3.627 1.00 0.00 H new ATOM 0 HG3 GLN A 131 2.067 -12.577 -4.804 1.00 0.00 H new ATOM 0 HE21 GLN A 131 4.422 -11.972 -3.457 1.00 0.00 H new ATOM 0 HE22 GLN A 131 4.587 -13.041 -2.061 1.00 0.00 H new ATOM 1025 N ALA A 132 2.296 -7.594 -4.978 1.00 0.00 N ATOM 1026 CA ALA A 132 2.300 -6.172 -4.658 1.00 0.00 C ATOM 1027 C ALA A 132 1.306 -5.410 -5.527 1.00 0.00 C ATOM 1028 O ALA A 132 0.669 -4.460 -5.072 1.00 0.00 O ATOM 1029 CB ALA A 132 3.699 -5.597 -4.826 1.00 0.00 C ATOM 0 H ALA A 132 3.106 -7.909 -5.512 1.00 0.00 H new ATOM 0 HA ALA A 132 1.994 -6.059 -3.618 1.00 0.00 H new ATOM 0 HB1 ALA A 132 3.687 -4.534 -4.584 1.00 0.00 H new ATOM 0 HB2 ALA A 132 4.388 -6.114 -4.158 1.00 0.00 H new ATOM 0 HB3 ALA A 132 4.026 -5.730 -5.857 1.00 0.00 H new ATOM 1035 N ARG A 133 1.178 -5.833 -6.781 1.00 0.00 N ATOM 1036 CA ARG A 133 0.262 -5.189 -7.715 1.00 0.00 C ATOM 1037 C ARG A 133 -1.135 -5.073 -7.113 1.00 0.00 C ATOM 1038 O ARG A 133 -1.686 -3.977 -7.007 1.00 0.00 O ATOM 1039 CB ARG A 133 0.201 -5.975 -9.026 1.00 0.00 C ATOM 1040 CG ARG A 133 -0.596 -5.277 -10.117 1.00 0.00 C ATOM 1041 CD ARG A 133 0.286 -4.362 -10.952 1.00 0.00 C ATOM 1042 NE ARG A 133 -0.403 -3.877 -12.144 1.00 0.00 N ATOM 1043 CZ ARG A 133 0.226 -3.411 -13.218 1.00 0.00 C ATOM 1044 NH1 ARG A 133 1.550 -3.369 -13.249 1.00 0.00 N ATOM 1045 NH2 ARG A 133 -0.471 -2.987 -14.264 1.00 0.00 N ATOM 0 H ARG A 133 1.697 -6.619 -7.173 1.00 0.00 H new ATOM 0 HA ARG A 133 0.636 -4.185 -7.918 1.00 0.00 H new ATOM 0 HB2 ARG A 133 1.216 -6.149 -9.384 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -0.241 -6.953 -8.834 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -1.063 -6.022 -10.762 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -1.401 -4.696 -9.666 1.00 0.00 H new ATOM 0 HD2 ARG A 133 0.604 -3.513 -10.346 1.00 0.00 H new ATOM 0 HD3 ARG A 133 1.188 -4.898 -11.247 1.00 0.00 H new ATOM 0 HE ARG A 133 -1.423 -3.897 -12.153 1.00 0.00 H new ATOM 0 HH11 ARG A 133 2.090 -3.695 -12.447 1.00 0.00 H new ATOM 0 HH12 ARG A 133 2.030 -3.011 -14.075 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -1.490 -3.018 -14.244 1.00 0.00 H new ATOM 0 HH22 ARG A 133 0.012 -2.629 -15.088 1.00 0.00 H new ATOM 1059 N GLN A 134 -1.702 -6.209 -6.721 1.00 0.00 N ATOM 1060 CA GLN A 134 -3.035 -6.235 -6.132 1.00 0.00 C ATOM 1061 C GLN A 134 -3.102 -5.340 -4.898 1.00 0.00 C ATOM 1062 O GLN A 134 -3.897 -4.403 -4.842 1.00 0.00 O ATOM 1063 CB GLN A 134 -3.424 -7.666 -5.759 1.00 0.00 C ATOM 1064 CG GLN A 134 -4.926 -7.898 -5.720 1.00 0.00 C ATOM 1065 CD GLN A 134 -5.644 -7.270 -6.898 1.00 0.00 C ATOM 1066 OE1 GLN A 134 -6.803 -6.676 -6.637 1.00 0.00 O flip ATOM 1067 NE2 GLN A 134 -5.163 -7.317 -8.031 1.00 0.00 N flip ATOM 0 H GLN A 134 -1.259 -7.124 -6.801 1.00 0.00 H new ATOM 0 HA GLN A 134 -3.739 -5.856 -6.873 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -2.977 -8.354 -6.477 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -3.002 -7.906 -4.783 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -5.124 -8.970 -5.708 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -5.329 -7.489 -4.794 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -4.270 -7.784 -8.187 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -5.658 -6.889 -8.813 1.00 0.00 H new ATOM 1076 N ALA A 135 -2.261 -5.636 -3.913 1.00 0.00 N ATOM 1077 CA ALA A 135 -2.224 -4.857 -2.681 1.00 0.00 C ATOM 1078 C ALA A 135 -2.498 -3.382 -2.955 1.00 0.00 C ATOM 1079 O ALA A 135 -3.376 -2.778 -2.338 1.00 0.00 O ATOM 1080 CB ALA A 135 -0.879 -5.027 -1.990 1.00 0.00 C ATOM 0 H ALA A 135 -1.596 -6.409 -3.944 1.00 0.00 H new ATOM 0 HA ALA A 135 -3.009 -5.228 -2.022 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -0.865 -4.440 -1.072 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -0.723 -6.079 -1.751 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -0.084 -4.684 -2.652 1.00 0.00 H new ATOM 1086 N LEU A 136 -1.741 -2.808 -3.883 1.00 0.00 N ATOM 1087 CA LEU A 136 -1.902 -1.402 -4.239 1.00 0.00 C ATOM 1088 C LEU A 136 -3.178 -1.187 -5.046 1.00 0.00 C ATOM 1089 O LEU A 136 -4.017 -0.359 -4.692 1.00 0.00 O ATOM 1090 CB LEU A 136 -0.691 -0.916 -5.038 1.00 0.00 C ATOM 1091 CG LEU A 136 -0.856 0.422 -5.759 1.00 0.00 C ATOM 1092 CD1 LEU A 136 0.502 1.024 -6.086 1.00 0.00 C ATOM 1093 CD2 LEU A 136 -1.683 0.248 -7.025 1.00 0.00 C ATOM 0 H LEU A 136 -1.010 -3.294 -4.403 1.00 0.00 H new ATOM 0 HA LEU A 136 -1.976 -0.825 -3.317 1.00 0.00 H new ATOM 0 HB2 LEU A 136 0.159 -0.838 -4.360 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -0.440 -1.676 -5.778 1.00 0.00 H new ATOM 0 HG LEU A 136 -1.384 1.107 -5.095 1.00 0.00 H new ATOM 0 HD11 LEU A 136 0.364 1.976 -6.599 1.00 0.00 H new ATOM 0 HD12 LEU A 136 1.060 1.186 -5.164 1.00 0.00 H new ATOM 0 HD13 LEU A 136 1.057 0.342 -6.730 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -1.790 1.211 -7.525 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -1.183 -0.454 -7.692 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -2.669 -0.138 -6.765 1.00 0.00 H new ATOM 1105 N ASP A 137 -3.319 -1.940 -6.131 1.00 0.00 N ATOM 1106 CA ASP A 137 -4.495 -1.835 -6.988 1.00 0.00 C ATOM 1107 C ASP A 137 -5.767 -1.733 -6.153 1.00 0.00 C ATOM 1108 O ASP A 137 -6.778 -1.194 -6.605 1.00 0.00 O ATOM 1109 CB ASP A 137 -4.580 -3.041 -7.924 1.00 0.00 C ATOM 1110 CG ASP A 137 -3.830 -2.820 -9.223 1.00 0.00 C ATOM 1111 OD1 ASP A 137 -2.609 -2.561 -9.166 1.00 0.00 O ATOM 1112 OD2 ASP A 137 -4.463 -2.904 -10.296 1.00 0.00 O ATOM 0 H ASP A 137 -2.634 -2.630 -6.438 1.00 0.00 H new ATOM 0 HA ASP A 137 -4.399 -0.928 -7.585 1.00 0.00 H new ATOM 0 HB2 ASP A 137 -4.176 -3.918 -7.419 1.00 0.00 H new ATOM 0 HB3 ASP A 137 -5.626 -3.254 -8.144 1.00 0.00 H new ATOM 1117 N LYS A 138 -5.712 -2.255 -4.932 1.00 0.00 N ATOM 1118 CA LYS A 138 -6.859 -2.223 -4.033 1.00 0.00 C ATOM 1119 C LYS A 138 -6.680 -1.154 -2.961 1.00 0.00 C ATOM 1120 O LYS A 138 -7.459 -0.203 -2.882 1.00 0.00 O ATOM 1121 CB LYS A 138 -7.056 -3.591 -3.376 1.00 0.00 C ATOM 1122 CG LYS A 138 -7.308 -4.713 -4.369 1.00 0.00 C ATOM 1123 CD LYS A 138 -8.741 -4.698 -4.875 1.00 0.00 C ATOM 1124 CE LYS A 138 -9.678 -5.416 -3.916 1.00 0.00 C ATOM 1125 NZ LYS A 138 -11.018 -5.650 -4.522 1.00 0.00 N ATOM 0 H LYS A 138 -4.884 -2.706 -4.542 1.00 0.00 H new ATOM 0 HA LYS A 138 -7.743 -1.978 -4.621 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -6.172 -3.832 -2.786 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -7.896 -3.535 -2.684 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -6.623 -4.616 -5.211 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -7.098 -5.672 -3.896 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -9.071 -3.667 -5.005 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -8.787 -5.173 -5.855 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -9.239 -6.370 -3.625 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -9.789 -4.826 -3.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -11.628 -6.141 -3.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -11.448 -4.738 -4.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -10.915 -6.234 -5.376 1.00 0.00 H new ATOM 1139 N LEU A 139 -5.650 -1.314 -2.138 1.00 0.00 N ATOM 1140 CA LEU A 139 -5.368 -0.360 -1.071 1.00 0.00 C ATOM 1141 C LEU A 139 -5.423 1.072 -1.591 1.00 0.00 C ATOM 1142 O LEU A 139 -6.030 1.945 -0.972 1.00 0.00 O ATOM 1143 CB LEU A 139 -3.993 -0.640 -0.460 1.00 0.00 C ATOM 1144 CG LEU A 139 -3.860 -1.946 0.324 1.00 0.00 C ATOM 1145 CD1 LEU A 139 -2.397 -2.329 0.478 1.00 0.00 C ATOM 1146 CD2 LEU A 139 -4.527 -1.820 1.686 1.00 0.00 C ATOM 0 H LEU A 139 -4.996 -2.095 -2.189 1.00 0.00 H new ATOM 0 HA LEU A 139 -6.132 -0.477 -0.302 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -3.255 -0.645 -1.262 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -3.737 0.186 0.203 1.00 0.00 H new ATOM 0 HG LEU A 139 -4.364 -2.736 -0.233 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -2.322 -3.261 1.038 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -1.950 -2.461 -0.507 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -1.869 -1.540 1.013 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -4.423 -2.759 2.230 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -4.052 -1.018 2.251 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -5.585 -1.593 1.553 1.00 0.00 H new ATOM 1158 N ASN A 140 -4.787 1.306 -2.735 1.00 0.00 N ATOM 1159 CA ASN A 140 -4.766 2.632 -3.341 1.00 0.00 C ATOM 1160 C ASN A 140 -6.133 3.302 -3.233 1.00 0.00 C ATOM 1161 O ASN A 140 -6.235 4.527 -3.199 1.00 0.00 O ATOM 1162 CB ASN A 140 -4.346 2.539 -4.809 1.00 0.00 C ATOM 1163 CG ASN A 140 -4.738 3.771 -5.602 1.00 0.00 C ATOM 1164 OD1 ASN A 140 -5.916 3.992 -5.884 1.00 0.00 O ATOM 1165 ND2 ASN A 140 -3.750 4.579 -5.966 1.00 0.00 N ATOM 0 H ASN A 140 -4.280 0.594 -3.261 1.00 0.00 H new ATOM 0 HA ASN A 140 -4.040 3.239 -2.800 1.00 0.00 H new ATOM 0 HB2 ASN A 140 -3.266 2.401 -4.867 1.00 0.00 H new ATOM 0 HB3 ASN A 140 -4.804 1.659 -5.260 1.00 0.00 H new ATOM 0 HD21 ASN A 140 -3.953 5.423 -6.502 1.00 0.00 H new ATOM 0 HD22 ASN A 140 -2.788 4.356 -5.710 1.00 0.00 H new ATOM 1172 N GLY A 141 -7.182 2.487 -3.179 1.00 0.00 N ATOM 1173 CA GLY A 141 -8.529 3.018 -3.076 1.00 0.00 C ATOM 1174 C GLY A 141 -9.344 2.326 -2.001 1.00 0.00 C ATOM 1175 O GLY A 141 -10.545 2.565 -1.872 1.00 0.00 O ATOM 0 H GLY A 141 -7.123 1.469 -3.205 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -8.480 4.085 -2.860 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -9.033 2.910 -4.036 1.00 0.00 H new ATOM 1179 N PHE A 142 -8.690 1.465 -1.227 1.00 0.00 N ATOM 1180 CA PHE A 142 -9.362 0.734 -0.160 1.00 0.00 C ATOM 1181 C PHE A 142 -9.859 1.687 0.923 1.00 0.00 C ATOM 1182 O PHE A 142 -9.071 2.225 1.700 1.00 0.00 O ATOM 1183 CB PHE A 142 -8.417 -0.302 0.452 1.00 0.00 C ATOM 1184 CG PHE A 142 -9.061 -1.150 1.511 1.00 0.00 C ATOM 1185 CD1 PHE A 142 -9.372 -0.615 2.751 1.00 0.00 C ATOM 1186 CD2 PHE A 142 -9.355 -2.482 1.267 1.00 0.00 C ATOM 1187 CE1 PHE A 142 -9.964 -1.394 3.727 1.00 0.00 C ATOM 1188 CE2 PHE A 142 -9.947 -3.265 2.240 1.00 0.00 C ATOM 1189 CZ PHE A 142 -10.253 -2.720 3.471 1.00 0.00 C ATOM 0 H PHE A 142 -7.696 1.257 -1.319 1.00 0.00 H new ATOM 0 HA PHE A 142 -10.222 0.221 -0.591 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -8.038 -0.949 -0.339 1.00 0.00 H new ATOM 0 HB3 PHE A 142 -7.557 0.212 0.882 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -9.149 0.422 2.957 1.00 0.00 H new ATOM 0 HD2 PHE A 142 -9.119 -2.913 0.305 1.00 0.00 H new ATOM 0 HE1 PHE A 142 -10.201 -0.966 4.690 1.00 0.00 H new ATOM 0 HE2 PHE A 142 -10.170 -4.302 2.038 1.00 0.00 H new ATOM 0 HZ PHE A 142 -10.717 -3.329 4.232 1.00 0.00 H new ATOM 1199 N GLN A 143 -11.172 1.892 0.966 1.00 0.00 N ATOM 1200 CA GLN A 143 -11.774 2.781 1.952 1.00 0.00 C ATOM 1201 C GLN A 143 -11.815 2.122 3.327 1.00 0.00 C ATOM 1202 O GLN A 143 -12.285 0.993 3.472 1.00 0.00 O ATOM 1203 CB GLN A 143 -13.188 3.175 1.520 1.00 0.00 C ATOM 1204 CG GLN A 143 -13.644 4.513 2.077 1.00 0.00 C ATOM 1205 CD GLN A 143 -15.136 4.733 1.919 1.00 0.00 C ATOM 1206 OE1 GLN A 143 -15.847 3.884 1.381 1.00 0.00 O ATOM 1207 NE2 GLN A 143 -15.619 5.877 2.389 1.00 0.00 N ATOM 0 H GLN A 143 -11.838 1.455 0.330 1.00 0.00 H new ATOM 0 HA GLN A 143 -11.159 3.678 2.018 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -13.229 3.211 0.431 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -13.886 2.401 1.840 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -13.382 4.571 3.133 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -13.107 5.315 1.571 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -14.993 6.553 2.828 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -16.616 6.080 2.311 1.00 0.00 H new ATOM 1216 N LEU A 144 -11.319 2.834 4.334 1.00 0.00 N ATOM 1217 CA LEU A 144 -11.299 2.317 5.698 1.00 0.00 C ATOM 1218 C LEU A 144 -11.622 3.419 6.702 1.00 0.00 C ATOM 1219 O LEU A 144 -11.132 4.542 6.584 1.00 0.00 O ATOM 1220 CB LEU A 144 -9.931 1.710 6.014 1.00 0.00 C ATOM 1221 CG LEU A 144 -9.888 0.723 7.181 1.00 0.00 C ATOM 1222 CD1 LEU A 144 -8.654 -0.160 7.088 1.00 0.00 C ATOM 1223 CD2 LEU A 144 -9.915 1.467 8.509 1.00 0.00 C ATOM 0 H LEU A 144 -10.926 3.770 4.231 1.00 0.00 H new ATOM 0 HA LEU A 144 -12.061 1.542 5.778 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -9.566 1.202 5.121 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -9.235 2.522 6.225 1.00 0.00 H new ATOM 0 HG LEU A 144 -10.770 0.085 7.126 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -8.640 -0.856 7.927 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -8.677 -0.719 6.153 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -7.759 0.461 7.118 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -9.884 0.749 9.329 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -9.051 2.129 8.573 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -10.829 2.056 8.577 1.00 0.00 H new ATOM 1235 N GLU A 145 -12.448 3.089 7.689 1.00 0.00 N ATOM 1236 CA GLU A 145 -12.836 4.051 8.715 1.00 0.00 C ATOM 1237 C GLU A 145 -12.960 5.453 8.126 1.00 0.00 C ATOM 1238 O GLU A 145 -12.517 6.431 8.725 1.00 0.00 O ATOM 1239 CB GLU A 145 -11.815 4.054 9.854 1.00 0.00 C ATOM 1240 CG GLU A 145 -11.799 2.766 10.661 1.00 0.00 C ATOM 1241 CD GLU A 145 -12.704 2.827 11.876 1.00 0.00 C ATOM 1242 OE1 GLU A 145 -13.800 3.417 11.770 1.00 0.00 O ATOM 1243 OE2 GLU A 145 -12.317 2.287 12.933 1.00 0.00 O ATOM 0 H GLU A 145 -12.862 2.163 7.801 1.00 0.00 H new ATOM 0 HA GLU A 145 -13.808 3.753 9.108 1.00 0.00 H new ATOM 0 HB2 GLU A 145 -10.822 4.226 9.440 1.00 0.00 H new ATOM 0 HB3 GLU A 145 -12.030 4.888 10.521 1.00 0.00 H new ATOM 0 HG2 GLU A 145 -12.109 1.938 10.023 1.00 0.00 H new ATOM 0 HG3 GLU A 145 -10.779 2.556 10.983 1.00 0.00 H new ATOM 1250 N ASN A 146 -13.567 5.541 6.946 1.00 0.00 N ATOM 1251 CA ASN A 146 -13.749 6.823 6.275 1.00 0.00 C ATOM 1252 C ASN A 146 -12.404 7.439 5.903 1.00 0.00 C ATOM 1253 O ASN A 146 -12.158 8.618 6.157 1.00 0.00 O ATOM 1254 CB ASN A 146 -14.533 7.785 7.170 1.00 0.00 C ATOM 1255 CG ASN A 146 -15.878 7.220 7.587 1.00 0.00 C ATOM 1256 OD1 ASN A 146 -15.948 6.234 8.321 1.00 0.00 O ATOM 1257 ND2 ASN A 146 -16.952 7.844 7.119 1.00 0.00 N ATOM 0 H ASN A 146 -13.941 4.741 6.436 1.00 0.00 H new ATOM 0 HA ASN A 146 -14.314 6.648 5.359 1.00 0.00 H new ATOM 0 HB2 ASN A 146 -13.945 8.010 8.060 1.00 0.00 H new ATOM 0 HB3 ASN A 146 -14.685 8.726 6.642 1.00 0.00 H new ATOM 0 HD21 ASN A 146 -17.884 7.510 7.365 1.00 0.00 H new ATOM 0 HD22 ASN A 146 -16.846 8.658 6.513 1.00 0.00 H new ATOM 1264 N PHE A 147 -11.536 6.633 5.301 1.00 0.00 N ATOM 1265 CA PHE A 147 -10.215 7.098 4.895 1.00 0.00 C ATOM 1266 C PHE A 147 -9.705 6.305 3.695 1.00 0.00 C ATOM 1267 O PHE A 147 -9.297 5.151 3.826 1.00 0.00 O ATOM 1268 CB PHE A 147 -9.228 6.976 6.058 1.00 0.00 C ATOM 1269 CG PHE A 147 -9.281 8.135 7.012 1.00 0.00 C ATOM 1270 CD1 PHE A 147 -8.681 9.342 6.691 1.00 0.00 C ATOM 1271 CD2 PHE A 147 -9.931 8.017 8.230 1.00 0.00 C ATOM 1272 CE1 PHE A 147 -8.728 10.410 7.567 1.00 0.00 C ATOM 1273 CE2 PHE A 147 -9.981 9.082 9.110 1.00 0.00 C ATOM 1274 CZ PHE A 147 -9.378 10.279 8.779 1.00 0.00 C ATOM 0 H PHE A 147 -11.724 5.654 5.083 1.00 0.00 H new ATOM 0 HA PHE A 147 -10.299 8.146 4.607 1.00 0.00 H new ATOM 0 HB2 PHE A 147 -9.435 6.056 6.605 1.00 0.00 H new ATOM 0 HB3 PHE A 147 -8.217 6.890 5.659 1.00 0.00 H new ATOM 0 HD1 PHE A 147 -8.171 9.449 5.745 1.00 0.00 H new ATOM 0 HD2 PHE A 147 -10.404 7.083 8.495 1.00 0.00 H new ATOM 0 HE1 PHE A 147 -8.257 11.346 7.304 1.00 0.00 H new ATOM 0 HE2 PHE A 147 -10.492 8.978 10.056 1.00 0.00 H new ATOM 0 HZ PHE A 147 -9.414 11.111 9.466 1.00 0.00 H new ATOM 1284 N THR A 148 -9.731 6.933 2.523 1.00 0.00 N ATOM 1285 CA THR A 148 -9.273 6.288 1.300 1.00 0.00 C ATOM 1286 C THR A 148 -7.764 6.074 1.322 1.00 0.00 C ATOM 1287 O THR A 148 -6.991 7.000 1.073 1.00 0.00 O ATOM 1288 CB THR A 148 -9.644 7.116 0.055 1.00 0.00 C ATOM 1289 OG1 THR A 148 -11.008 7.542 0.139 1.00 0.00 O ATOM 1290 CG2 THR A 148 -9.438 6.305 -1.216 1.00 0.00 C ATOM 0 H THR A 148 -10.065 7.888 2.396 1.00 0.00 H new ATOM 0 HA THR A 148 -9.773 5.321 1.247 1.00 0.00 H new ATOM 0 HB THR A 148 -8.992 7.989 0.019 1.00 0.00 H new ATOM 0 HG1 THR A 148 -11.236 8.069 -0.655 1.00 0.00 H new ATOM 0 HG21 THR A 148 -9.707 6.911 -2.082 1.00 0.00 H new ATOM 0 HG22 THR A 148 -8.392 6.007 -1.292 1.00 0.00 H new ATOM 0 HG23 THR A 148 -10.067 5.416 -1.186 1.00 0.00 H new ATOM 1298 N LEU A 149 -7.350 4.847 1.622 1.00 0.00 N ATOM 1299 CA LEU A 149 -5.931 4.511 1.676 1.00 0.00 C ATOM 1300 C LEU A 149 -5.239 4.855 0.361 1.00 0.00 C ATOM 1301 O LEU A 149 -5.571 4.306 -0.690 1.00 0.00 O ATOM 1302 CB LEU A 149 -5.751 3.024 1.986 1.00 0.00 C ATOM 1303 CG LEU A 149 -6.419 2.520 3.266 1.00 0.00 C ATOM 1304 CD1 LEU A 149 -6.314 1.006 3.362 1.00 0.00 C ATOM 1305 CD2 LEU A 149 -5.795 3.178 4.488 1.00 0.00 C ATOM 0 H LEU A 149 -7.976 4.069 1.831 1.00 0.00 H new ATOM 0 HA LEU A 149 -5.473 5.100 2.471 1.00 0.00 H new ATOM 0 HB2 LEU A 149 -6.140 2.448 1.146 1.00 0.00 H new ATOM 0 HB3 LEU A 149 -4.683 2.813 2.050 1.00 0.00 H new ATOM 0 HG LEU A 149 -7.475 2.789 3.232 1.00 0.00 H new ATOM 0 HD11 LEU A 149 -6.795 0.665 4.279 1.00 0.00 H new ATOM 0 HD12 LEU A 149 -6.808 0.552 2.503 1.00 0.00 H new ATOM 0 HD13 LEU A 149 -5.264 0.714 3.373 1.00 0.00 H new ATOM 0 HD21 LEU A 149 -6.283 2.807 5.390 1.00 0.00 H new ATOM 0 HD22 LEU A 149 -4.732 2.940 4.526 1.00 0.00 H new ATOM 0 HD23 LEU A 149 -5.923 4.259 4.424 1.00 0.00 H new ATOM 1317 N LYS A 150 -4.274 5.766 0.427 1.00 0.00 N ATOM 1318 CA LYS A 150 -3.532 6.182 -0.757 1.00 0.00 C ATOM 1319 C LYS A 150 -2.246 5.375 -0.904 1.00 0.00 C ATOM 1320 O LYS A 150 -1.385 5.393 -0.024 1.00 0.00 O ATOM 1321 CB LYS A 150 -3.203 7.675 -0.681 1.00 0.00 C ATOM 1322 CG LYS A 150 -4.432 8.565 -0.614 1.00 0.00 C ATOM 1323 CD LYS A 150 -4.102 10.000 -0.991 1.00 0.00 C ATOM 1324 CE LYS A 150 -5.308 10.711 -1.585 1.00 0.00 C ATOM 1325 NZ LYS A 150 -4.950 12.051 -2.128 1.00 0.00 N ATOM 0 H LYS A 150 -3.987 6.231 1.289 1.00 0.00 H new ATOM 0 HA LYS A 150 -4.158 5.998 -1.630 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -2.584 7.858 0.197 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -2.610 7.953 -1.553 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -5.199 8.179 -1.285 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -4.847 8.539 0.394 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -3.758 10.539 -0.108 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -3.282 10.009 -1.709 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -5.735 10.099 -2.380 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -6.077 10.823 -0.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -5.799 12.503 -2.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -4.566 12.644 -1.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -4.235 11.943 -2.875 1.00 0.00 H new ATOM 1339 N VAL A 151 -2.121 4.668 -2.023 1.00 0.00 N ATOM 1340 CA VAL A 151 -0.939 3.856 -2.287 1.00 0.00 C ATOM 1341 C VAL A 151 -0.250 4.291 -3.575 1.00 0.00 C ATOM 1342 O VAL A 151 -0.906 4.659 -4.549 1.00 0.00 O ATOM 1343 CB VAL A 151 -1.296 2.361 -2.388 1.00 0.00 C ATOM 1344 CG1 VAL A 151 -0.038 1.522 -2.559 1.00 0.00 C ATOM 1345 CG2 VAL A 151 -2.080 1.917 -1.163 1.00 0.00 C ATOM 0 H VAL A 151 -2.824 4.641 -2.761 1.00 0.00 H new ATOM 0 HA VAL A 151 -0.260 4.004 -1.447 1.00 0.00 H new ATOM 0 HB VAL A 151 -1.924 2.214 -3.266 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -0.310 0.469 -2.629 1.00 0.00 H new ATOM 0 HG12 VAL A 151 0.480 1.824 -3.469 1.00 0.00 H new ATOM 0 HG13 VAL A 151 0.618 1.671 -1.702 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -2.324 0.858 -1.251 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -1.479 2.078 -0.268 1.00 0.00 H new ATOM 0 HG23 VAL A 151 -3.000 2.496 -1.090 1.00 0.00 H new ATOM 1355 N ALA A 152 1.079 4.246 -3.573 1.00 0.00 N ATOM 1356 CA ALA A 152 1.858 4.633 -4.743 1.00 0.00 C ATOM 1357 C ALA A 152 3.187 3.888 -4.788 1.00 0.00 C ATOM 1358 O ALA A 152 3.820 3.664 -3.756 1.00 0.00 O ATOM 1359 CB ALA A 152 2.093 6.136 -4.746 1.00 0.00 C ATOM 0 H ALA A 152 1.638 3.946 -2.774 1.00 0.00 H new ATOM 0 HA ALA A 152 1.290 4.363 -5.633 1.00 0.00 H new ATOM 0 HB1 ALA A 152 2.676 6.411 -5.625 1.00 0.00 H new ATOM 0 HB2 ALA A 152 1.134 6.654 -4.769 1.00 0.00 H new ATOM 0 HB3 ALA A 152 2.637 6.421 -3.846 1.00 0.00 H new ATOM 1365 N TYR A 153 3.605 3.506 -5.989 1.00 0.00 N ATOM 1366 CA TYR A 153 4.859 2.783 -6.168 1.00 0.00 C ATOM 1367 C TYR A 153 6.051 3.660 -5.800 1.00 0.00 C ATOM 1368 O TYR A 153 6.365 4.625 -6.497 1.00 0.00 O ATOM 1369 CB TYR A 153 4.993 2.302 -7.614 1.00 0.00 C ATOM 1370 CG TYR A 153 4.262 1.007 -7.892 1.00 0.00 C ATOM 1371 CD1 TYR A 153 4.721 -0.197 -7.373 1.00 0.00 C ATOM 1372 CD2 TYR A 153 3.114 0.989 -8.673 1.00 0.00 C ATOM 1373 CE1 TYR A 153 4.057 -1.382 -7.624 1.00 0.00 C ATOM 1374 CE2 TYR A 153 2.443 -0.192 -8.929 1.00 0.00 C ATOM 1375 CZ TYR A 153 2.919 -1.374 -8.403 1.00 0.00 C ATOM 1376 OH TYR A 153 2.254 -2.553 -8.655 1.00 0.00 O ATOM 0 H TYR A 153 3.094 3.685 -6.854 1.00 0.00 H new ATOM 0 HA TYR A 153 4.848 1.919 -5.504 1.00 0.00 H new ATOM 0 HB2 TYR A 153 4.612 3.075 -8.282 1.00 0.00 H new ATOM 0 HB3 TYR A 153 6.049 2.171 -7.848 1.00 0.00 H new ATOM 0 HD1 TYR A 153 5.612 -0.207 -6.763 1.00 0.00 H new ATOM 0 HD2 TYR A 153 2.739 1.913 -9.087 1.00 0.00 H new ATOM 0 HE1 TYR A 153 4.427 -2.309 -7.213 1.00 0.00 H new ATOM 0 HE2 TYR A 153 1.551 -0.189 -9.538 1.00 0.00 H new ATOM 0 HH TYR A 153 2.565 -3.243 -8.033 1.00 0.00 H new ATOM 1386 N ILE A 154 6.712 3.317 -4.699 1.00 0.00 N ATOM 1387 CA ILE A 154 7.871 4.071 -4.238 1.00 0.00 C ATOM 1388 C ILE A 154 9.010 4.001 -5.249 1.00 0.00 C ATOM 1389 O ILE A 154 9.298 2.952 -5.827 1.00 0.00 O ATOM 1390 CB ILE A 154 8.375 3.553 -2.878 1.00 0.00 C ATOM 1391 CG1 ILE A 154 7.272 3.670 -1.823 1.00 0.00 C ATOM 1392 CG2 ILE A 154 9.614 4.322 -2.444 1.00 0.00 C ATOM 1393 CD1 ILE A 154 7.612 2.989 -0.516 1.00 0.00 C ATOM 0 H ILE A 154 6.464 2.522 -4.110 1.00 0.00 H new ATOM 0 HA ILE A 154 7.550 5.107 -4.127 1.00 0.00 H new ATOM 0 HB ILE A 154 8.642 2.501 -2.983 1.00 0.00 H new ATOM 0 HG12 ILE A 154 7.073 4.725 -1.633 1.00 0.00 H new ATOM 0 HG13 ILE A 154 6.353 3.238 -2.220 1.00 0.00 H new ATOM 0 HG21 ILE A 154 9.958 3.944 -1.481 1.00 0.00 H new ATOM 0 HG22 ILE A 154 10.401 4.193 -3.187 1.00 0.00 H new ATOM 0 HG23 ILE A 154 9.372 5.381 -2.353 1.00 0.00 H new ATOM 0 HD11 ILE A 154 6.786 3.112 0.184 1.00 0.00 H new ATOM 0 HD12 ILE A 154 7.783 1.927 -0.693 1.00 0.00 H new ATOM 0 HD13 ILE A 154 8.513 3.436 -0.096 1.00 0.00 H new