USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 569 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 68 ASN : amide:sc= -0.193 X(o=-0.19,f=0.036) USER MOD Set 1.2: A 70 THR OG1 : rot 180:sc=-0.000407 USER MOD Set 2.1: A 35 LYS NZ :NH3+ 146:sc= -0.212 (180deg=-1.27) USER MOD Set 2.2: A 38 THR OG1 : rot -160:sc= -1.98! USER MOD Set 3.1: A 28 SER OG : rot -122:sc= 0.925 USER MOD Set 3.2: A 51 GLN : amide:sc= 0.0162 K(o=0.94,f=-0.57) USER MOD Set 4.1: A 25 GLN : amide:sc= -0.415 X(o=-1.4,f=-1.3) USER MOD Set 4.2: A 88 GLN : amide:sc= -1.03! X(o=-1.4!,f=-1.3) USER MOD Set 5.1: A 19 ASN : amide:sc= -0.684 K(o=0.0006,f=-7.3!) USER MOD Set 5.2: A 33 LYS NZ :NH3+ 176:sc= 0.684 (180deg=0) USER MOD Single : A 17 HIS :FLIP no HD1:sc= -2.92! C(o=-3.5!,f=-2.9!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.18 X(o=-0.18,f=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.118 X(o=-0.12,f=-0.12) USER MOD Single : A 41 SER OG : rot 109:sc= 1.27 USER MOD Single : A 44 MET CE :methyl 180:sc=-0.00237 (180deg=-0.00237) USER MOD Single : A 45 LYS NZ :NH3+ 166:sc= -0.0113 (180deg=-0.164) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.0594 USER MOD Single : A 48 CYS SG : rot 86:sc= -3.47! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 146:sc= -1.55 (180deg=-3.11!) USER MOD Single : A 57 GLN :FLIP amide:sc= -0.0579 F(o=-2.1!,f=-0.058) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.252 USER MOD Single : A 75 GLN :FLIP amide:sc= -0.0604 F(o=-2.4!,f=-0.06) USER MOD Single : A 78 MET CE :methyl 141:sc= -1.58 (180deg=-2.31!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 242 N HIS A 17 -6.683 11.483 9.422 1.00 0.00 N ATOM 243 CA HIS A 17 -6.157 10.436 8.608 1.00 0.00 C ATOM 244 C HIS A 17 -7.262 9.470 8.269 1.00 0.00 C ATOM 245 O HIS A 17 -8.302 9.452 8.925 1.00 0.00 O ATOM 246 CB HIS A 17 -5.000 9.722 9.313 1.00 0.00 C ATOM 247 CG HIS A 17 -5.376 8.943 10.541 1.00 0.00 C ATOM 248 ND1 HIS A 17 -5.417 7.622 10.749 1.00 0.00 N flip ATOM 249 CD2 HIS A 17 -5.733 9.523 11.735 1.00 0.00 C flip ATOM 250 CE1 HIS A 17 -5.782 7.414 12.054 1.00 0.00 C flip ATOM 251 NE2 HIS A 17 -5.969 8.582 12.624 1.00 0.00 N flip ATOM 0 HA HIS A 17 -5.761 10.863 7.687 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -4.528 9.043 8.603 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -4.252 10.465 9.590 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -5.808 10.585 11.915 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -5.896 6.452 12.532 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -6.250 8.734 13.593 1.00 0.00 H new ATOM 260 N ILE A 18 -7.055 8.674 7.265 1.00 0.00 N ATOM 261 CA ILE A 18 -8.079 7.737 6.836 1.00 0.00 C ATOM 262 C ILE A 18 -7.620 6.288 6.943 1.00 0.00 C ATOM 263 O ILE A 18 -6.443 6.000 7.168 1.00 0.00 O ATOM 264 CB ILE A 18 -8.550 8.024 5.393 1.00 0.00 C ATOM 265 CG1 ILE A 18 -7.370 7.972 4.413 1.00 0.00 C ATOM 266 CG2 ILE A 18 -9.245 9.378 5.326 1.00 0.00 C ATOM 267 CD1 ILE A 18 -7.774 8.104 2.960 1.00 0.00 C ATOM 0 H ILE A 18 -6.193 8.645 6.721 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.918 7.881 7.517 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.263 7.252 5.103 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.670 8.770 4.659 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -6.839 7.030 4.548 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -9.572 9.569 4.304 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -10.110 9.376 5.990 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.551 10.159 5.636 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.886 8.058 2.330 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -8.450 7.291 2.695 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -8.278 9.058 2.808 1.00 0.00 H new ATOM 279 N ASN A 19 -8.570 5.375 6.810 1.00 0.00 N ATOM 280 CA ASN A 19 -8.301 3.948 6.842 1.00 0.00 C ATOM 281 C ASN A 19 -8.130 3.451 5.422 1.00 0.00 C ATOM 282 O ASN A 19 -8.803 3.921 4.518 1.00 0.00 O ATOM 283 CB ASN A 19 -9.481 3.187 7.468 1.00 0.00 C ATOM 284 CG ASN A 19 -9.995 3.797 8.757 1.00 0.00 C ATOM 285 OD1 ASN A 19 -9.552 3.452 9.843 1.00 0.00 O ATOM 286 ND2 ASN A 19 -10.954 4.693 8.643 1.00 0.00 N ATOM 0 H ASN A 19 -9.554 5.606 6.676 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.402 3.778 7.434 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -10.297 3.146 6.747 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -9.175 2.159 7.661 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -11.352 5.123 9.478 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -11.299 4.956 7.720 1.00 0.00 H new ATOM 293 N LEU A 20 -7.233 2.533 5.218 1.00 0.00 N ATOM 294 CA LEU A 20 -7.045 1.928 3.911 1.00 0.00 C ATOM 295 C LEU A 20 -6.944 0.426 4.041 1.00 0.00 C ATOM 296 O LEU A 20 -6.673 -0.102 5.122 1.00 0.00 O ATOM 297 CB LEU A 20 -5.797 2.480 3.213 1.00 0.00 C ATOM 298 CG LEU A 20 -6.039 3.554 2.148 1.00 0.00 C ATOM 299 CD1 LEU A 20 -7.086 3.098 1.144 1.00 0.00 C ATOM 300 CD2 LEU A 20 -6.442 4.865 2.785 1.00 0.00 C ATOM 0 H LEU A 20 -6.608 2.176 5.941 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.912 2.179 3.299 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.134 2.894 3.973 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.268 1.648 2.747 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.103 3.712 1.612 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.239 3.878 0.399 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.745 2.187 0.651 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.025 2.901 1.662 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.608 5.611 2.008 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.360 4.725 3.356 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.649 5.205 3.451 1.00 0.00 H new ATOM 312 N LYS A 21 -7.184 -0.268 2.952 1.00 0.00 N ATOM 313 CA LYS A 21 -7.108 -1.707 2.931 1.00 0.00 C ATOM 314 C LYS A 21 -6.360 -2.170 1.712 1.00 0.00 C ATOM 315 O LYS A 21 -6.396 -1.531 0.666 1.00 0.00 O ATOM 316 CB LYS A 21 -8.501 -2.309 2.911 1.00 0.00 C ATOM 317 CG LYS A 21 -9.310 -2.021 4.148 1.00 0.00 C ATOM 318 CD LYS A 21 -10.777 -2.369 3.952 1.00 0.00 C ATOM 319 CE LYS A 21 -10.977 -3.848 3.666 1.00 0.00 C ATOM 320 NZ LYS A 21 -12.404 -4.182 3.463 1.00 0.00 N ATOM 0 H LYS A 21 -7.437 0.151 2.057 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.583 -2.033 3.829 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.038 -1.929 2.042 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.417 -3.389 2.787 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.909 -2.591 4.986 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.217 -0.966 4.407 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.338 -2.093 4.845 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.182 -1.782 3.128 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.409 -4.126 2.778 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.581 -4.435 4.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.498 -5.200 3.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.942 -3.940 4.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.776 -3.641 2.656 1.00 0.00 H new ATOM 334 N VAL A 22 -5.683 -3.278 1.833 1.00 0.00 N ATOM 335 CA VAL A 22 -4.969 -3.850 0.710 1.00 0.00 C ATOM 336 C VAL A 22 -5.352 -5.300 0.535 1.00 0.00 C ATOM 337 O VAL A 22 -5.141 -6.128 1.428 1.00 0.00 O ATOM 338 CB VAL A 22 -3.435 -3.740 0.855 1.00 0.00 C ATOM 339 CG1 VAL A 22 -2.755 -4.435 -0.298 1.00 0.00 C ATOM 340 CG2 VAL A 22 -2.997 -2.290 0.908 1.00 0.00 C ATOM 0 H VAL A 22 -5.607 -3.810 2.700 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.257 -3.273 -0.169 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.148 -4.222 1.789 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.674 -4.352 -0.187 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.039 -5.487 -0.307 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.060 -3.969 -1.235 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.913 -2.241 1.010 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.298 -1.785 -0.010 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.465 -1.800 1.762 1.00 0.00 H new ATOM 350 N ALA A 23 -5.936 -5.601 -0.599 1.00 0.00 N ATOM 351 CA ALA A 23 -6.349 -6.940 -0.914 1.00 0.00 C ATOM 352 C ALA A 23 -5.266 -7.640 -1.697 1.00 0.00 C ATOM 353 O ALA A 23 -4.836 -7.171 -2.747 1.00 0.00 O ATOM 354 CB ALA A 23 -7.648 -6.928 -1.696 1.00 0.00 C ATOM 0 H ALA A 23 -6.138 -4.919 -1.330 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.519 -7.483 0.016 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.944 -7.952 -1.925 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.426 -6.449 -1.101 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.509 -6.374 -2.624 1.00 0.00 H new ATOM 360 N GLY A 24 -4.834 -8.762 -1.198 1.00 0.00 N ATOM 361 CA GLY A 24 -3.796 -9.493 -1.845 1.00 0.00 C ATOM 362 C GLY A 24 -4.360 -10.472 -2.841 1.00 0.00 C ATOM 363 O GLY A 24 -5.528 -10.856 -2.753 1.00 0.00 O ATOM 0 H GLY A 24 -5.189 -9.188 -0.342 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.122 -8.802 -2.352 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.205 -10.027 -1.101 1.00 0.00 H new ATOM 367 N GLN A 25 -3.537 -10.907 -3.781 1.00 0.00 N ATOM 368 CA GLN A 25 -3.964 -11.865 -4.804 1.00 0.00 C ATOM 369 C GLN A 25 -4.302 -13.224 -4.178 1.00 0.00 C ATOM 370 O GLN A 25 -4.883 -14.098 -4.818 1.00 0.00 O ATOM 371 CB GLN A 25 -2.889 -12.003 -5.896 1.00 0.00 C ATOM 372 CG GLN A 25 -1.513 -12.407 -5.381 1.00 0.00 C ATOM 373 CD GLN A 25 -1.380 -13.901 -5.137 1.00 0.00 C ATOM 374 OE1 GLN A 25 -1.971 -14.713 -5.843 1.00 0.00 O ATOM 375 NE2 GLN A 25 -0.630 -14.265 -4.124 1.00 0.00 N ATOM 0 H GLN A 25 -2.563 -10.614 -3.862 1.00 0.00 H new ATOM 0 HA GLN A 25 -4.872 -11.485 -5.272 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.222 -12.743 -6.624 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.801 -11.053 -6.424 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.757 -12.094 -6.101 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.309 -11.874 -4.452 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.155 -13.559 -3.561 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -0.522 -15.254 -3.899 1.00 0.00 H new ATOM 384 N ASP A 26 -3.928 -13.385 -2.916 1.00 0.00 N ATOM 385 CA ASP A 26 -4.201 -14.603 -2.167 1.00 0.00 C ATOM 386 C ASP A 26 -5.643 -14.602 -1.659 1.00 0.00 C ATOM 387 O ASP A 26 -6.197 -15.641 -1.294 1.00 0.00 O ATOM 388 CB ASP A 26 -3.220 -14.723 -0.994 1.00 0.00 C ATOM 389 CG ASP A 26 -3.542 -15.877 -0.069 1.00 0.00 C ATOM 390 OD1 ASP A 26 -3.430 -17.038 -0.500 1.00 0.00 O ATOM 391 OD2 ASP A 26 -3.907 -15.623 1.097 1.00 0.00 O ATOM 0 H ASP A 26 -3.427 -12.674 -2.383 1.00 0.00 H new ATOM 0 HA ASP A 26 -4.070 -15.461 -2.826 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.210 -14.848 -1.384 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -3.229 -13.794 -0.424 1.00 0.00 H new ATOM 396 N GLY A 27 -6.262 -13.429 -1.657 1.00 0.00 N ATOM 397 CA GLY A 27 -7.631 -13.315 -1.194 1.00 0.00 C ATOM 398 C GLY A 27 -7.733 -12.792 0.224 1.00 0.00 C ATOM 399 O GLY A 27 -8.797 -12.838 0.838 1.00 0.00 O ATOM 0 H GLY A 27 -5.840 -12.554 -1.968 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.181 -12.651 -1.861 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.111 -14.292 -1.251 1.00 0.00 H new ATOM 403 N SER A 28 -6.635 -12.290 0.746 1.00 0.00 N ATOM 404 CA SER A 28 -6.602 -11.749 2.086 1.00 0.00 C ATOM 405 C SER A 28 -6.540 -10.247 2.011 1.00 0.00 C ATOM 406 O SER A 28 -6.086 -9.687 1.018 1.00 0.00 O ATOM 407 CB SER A 28 -5.394 -12.299 2.850 1.00 0.00 C ATOM 408 OG SER A 28 -5.297 -11.750 4.157 1.00 0.00 O ATOM 0 H SER A 28 -5.742 -12.246 0.254 1.00 0.00 H new ATOM 0 HA SER A 28 -7.505 -12.045 2.621 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.471 -13.384 2.917 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.482 -12.078 2.295 1.00 0.00 H new ATOM 0 HG SER A 28 -4.429 -11.308 4.263 1.00 0.00 H new ATOM 414 N VAL A 29 -6.988 -9.588 3.039 1.00 0.00 N ATOM 415 CA VAL A 29 -6.983 -8.147 3.044 1.00 0.00 C ATOM 416 C VAL A 29 -6.558 -7.605 4.400 1.00 0.00 C ATOM 417 O VAL A 29 -6.928 -8.142 5.448 1.00 0.00 O ATOM 418 CB VAL A 29 -8.371 -7.563 2.645 1.00 0.00 C ATOM 419 CG1 VAL A 29 -9.419 -7.818 3.722 1.00 0.00 C ATOM 420 CG2 VAL A 29 -8.268 -6.077 2.336 1.00 0.00 C ATOM 0 H VAL A 29 -7.361 -10.020 3.884 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.256 -7.829 2.297 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.694 -8.080 1.741 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.374 -7.396 3.408 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -9.529 -8.892 3.875 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.104 -7.349 4.654 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -9.250 -5.694 2.060 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.906 -5.547 3.217 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.574 -5.924 1.509 1.00 0.00 H new ATOM 430 N VAL A 30 -5.754 -6.570 4.388 1.00 0.00 N ATOM 431 CA VAL A 30 -5.313 -5.937 5.610 1.00 0.00 C ATOM 432 C VAL A 30 -5.977 -4.568 5.764 1.00 0.00 C ATOM 433 O VAL A 30 -6.160 -3.845 4.783 1.00 0.00 O ATOM 434 CB VAL A 30 -3.769 -5.775 5.636 1.00 0.00 C ATOM 435 CG1 VAL A 30 -3.288 -4.905 4.483 1.00 0.00 C ATOM 436 CG2 VAL A 30 -3.304 -5.206 6.968 1.00 0.00 C ATOM 0 H VAL A 30 -5.388 -6.144 3.537 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.604 -6.578 6.442 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.330 -6.766 5.516 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.203 -4.809 4.527 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.574 -5.365 3.537 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.743 -3.917 4.558 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.219 -5.102 6.960 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.761 -4.229 7.126 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.599 -5.878 7.774 1.00 0.00 H new ATOM 446 N GLN A 31 -6.370 -4.231 6.979 1.00 0.00 N ATOM 447 CA GLN A 31 -6.971 -2.945 7.264 1.00 0.00 C ATOM 448 C GLN A 31 -6.025 -2.133 8.133 1.00 0.00 C ATOM 449 O GLN A 31 -5.624 -2.564 9.222 1.00 0.00 O ATOM 450 CB GLN A 31 -8.294 -3.142 7.959 1.00 0.00 C ATOM 451 CG GLN A 31 -9.090 -4.292 7.377 1.00 0.00 C ATOM 452 CD GLN A 31 -10.459 -4.414 7.965 1.00 0.00 C ATOM 453 OE1 GLN A 31 -10.661 -5.097 8.968 1.00 0.00 O ATOM 454 NE2 GLN A 31 -11.411 -3.768 7.346 1.00 0.00 N ATOM 0 H GLN A 31 -6.281 -4.840 7.792 1.00 0.00 H new ATOM 0 HA GLN A 31 -7.149 -2.406 6.334 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.120 -3.325 9.019 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.879 -2.225 7.886 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.175 -4.158 6.299 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.546 -5.222 7.541 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -11.196 -3.214 6.517 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.369 -3.818 7.692 1.00 0.00 H new ATOM 463 N PHE A 32 -5.671 -0.969 7.667 1.00 0.00 N ATOM 464 CA PHE A 32 -4.669 -0.147 8.326 1.00 0.00 C ATOM 465 C PHE A 32 -4.995 1.335 8.202 1.00 0.00 C ATOM 466 O PHE A 32 -5.863 1.735 7.434 1.00 0.00 O ATOM 467 CB PHE A 32 -3.284 -0.437 7.729 1.00 0.00 C ATOM 468 CG PHE A 32 -3.244 -0.285 6.237 1.00 0.00 C ATOM 469 CD1 PHE A 32 -3.754 -1.277 5.418 1.00 0.00 C ATOM 470 CD2 PHE A 32 -2.723 0.856 5.656 1.00 0.00 C ATOM 471 CE1 PHE A 32 -3.746 -1.138 4.055 1.00 0.00 C ATOM 472 CE2 PHE A 32 -2.712 1.003 4.293 1.00 0.00 C ATOM 473 CZ PHE A 32 -3.226 0.004 3.488 1.00 0.00 C ATOM 0 H PHE A 32 -6.062 -0.554 6.821 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.667 -0.399 9.387 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.553 0.237 8.177 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.986 -1.452 7.993 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -4.164 -2.173 5.859 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -2.321 1.639 6.282 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.146 -1.921 3.428 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.302 1.898 3.849 1.00 0.00 H new ATOM 0 HZ PHE A 32 -3.220 0.119 2.414 1.00 0.00 H new ATOM 483 N LYS A 33 -4.299 2.141 8.967 1.00 0.00 N ATOM 484 CA LYS A 33 -4.500 3.578 8.961 1.00 0.00 C ATOM 485 C LYS A 33 -3.349 4.276 8.248 1.00 0.00 C ATOM 486 O LYS A 33 -2.198 3.843 8.331 1.00 0.00 O ATOM 487 CB LYS A 33 -4.587 4.089 10.397 1.00 0.00 C ATOM 488 CG LYS A 33 -5.770 3.567 11.185 1.00 0.00 C ATOM 489 CD LYS A 33 -6.968 4.481 11.088 1.00 0.00 C ATOM 490 CE LYS A 33 -7.834 4.337 12.322 1.00 0.00 C ATOM 491 NZ LYS A 33 -9.135 5.033 12.186 1.00 0.00 N ATOM 0 H LYS A 33 -3.576 1.824 9.613 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.428 3.797 8.433 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.671 3.817 10.921 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.632 5.178 10.378 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.040 2.577 10.818 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.486 3.453 12.231 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.639 5.515 10.984 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.548 4.240 10.197 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.010 3.279 12.517 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.301 4.736 13.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.717 4.848 13.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.973 6.056 12.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -9.629 4.684 11.340 1.00 0.00 H new ATOM 505 N ILE A 34 -3.654 5.344 7.532 1.00 0.00 N ATOM 506 CA ILE A 34 -2.635 6.139 6.869 1.00 0.00 C ATOM 507 C ILE A 34 -3.079 7.605 6.801 1.00 0.00 C ATOM 508 O ILE A 34 -4.271 7.905 6.659 1.00 0.00 O ATOM 509 CB ILE A 34 -2.314 5.595 5.445 1.00 0.00 C ATOM 510 CG1 ILE A 34 -1.174 6.394 4.798 1.00 0.00 C ATOM 511 CG2 ILE A 34 -3.554 5.620 4.567 1.00 0.00 C ATOM 512 CD1 ILE A 34 -0.683 5.815 3.486 1.00 0.00 C ATOM 0 H ILE A 34 -4.606 5.683 7.394 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.719 6.069 7.455 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.988 4.560 5.544 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.511 7.417 4.629 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.338 6.446 5.496 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.307 5.236 3.577 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.329 4.998 5.014 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.917 6.644 4.479 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.122 6.436 3.093 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.313 4.803 3.651 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.504 5.789 2.770 1.00 0.00 H new ATOM 524 N LYS A 35 -2.138 8.526 6.937 1.00 0.00 N ATOM 525 CA LYS A 35 -2.464 9.940 6.914 1.00 0.00 C ATOM 526 C LYS A 35 -2.532 10.444 5.493 1.00 0.00 C ATOM 527 O LYS A 35 -1.951 9.855 4.587 1.00 0.00 O ATOM 528 CB LYS A 35 -1.451 10.753 7.713 1.00 0.00 C ATOM 529 CG LYS A 35 -1.134 10.152 9.073 1.00 0.00 C ATOM 530 CD LYS A 35 -0.669 11.198 10.096 1.00 0.00 C ATOM 531 CE LYS A 35 0.681 11.822 9.739 1.00 0.00 C ATOM 532 NZ LYS A 35 0.562 12.892 8.714 1.00 0.00 N ATOM 0 H LYS A 35 -1.147 8.320 7.064 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.442 10.064 7.379 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.529 10.838 7.138 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.835 11.764 7.851 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.020 9.646 9.456 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.359 9.394 8.958 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.419 11.985 10.169 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.599 10.732 11.079 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.136 12.235 10.639 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.351 11.045 9.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.271 13.630 8.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.722 12.487 7.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.390 13.308 8.756 1.00 0.00 H new ATOM 546 N ARG A 36 -3.233 11.542 5.295 1.00 0.00 N ATOM 547 CA ARG A 36 -3.416 12.110 3.966 1.00 0.00 C ATOM 548 C ARG A 36 -2.083 12.578 3.379 1.00 0.00 C ATOM 549 O ARG A 36 -1.831 12.435 2.182 1.00 0.00 O ATOM 550 CB ARG A 36 -4.411 13.279 4.009 1.00 0.00 C ATOM 551 CG ARG A 36 -5.691 13.000 4.796 1.00 0.00 C ATOM 552 CD ARG A 36 -6.299 11.637 4.461 1.00 0.00 C ATOM 553 NE ARG A 36 -6.493 11.427 3.018 1.00 0.00 N ATOM 554 CZ ARG A 36 -7.658 11.594 2.371 1.00 0.00 C ATOM 555 NH1 ARG A 36 -8.722 12.066 3.010 1.00 0.00 N ATOM 556 NH2 ARG A 36 -7.749 11.295 1.075 1.00 0.00 N ATOM 0 H ARG A 36 -3.690 12.066 6.041 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.819 11.328 3.323 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.914 14.145 4.445 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.680 13.547 2.987 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.475 13.045 5.863 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.421 13.782 4.585 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.652 10.852 4.852 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.259 11.540 4.968 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.685 11.133 2.469 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.658 12.305 4.000 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.603 12.190 2.511 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.934 10.940 0.575 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.634 11.422 0.583 1.00 0.00 H new ATOM 570 N HIS A 37 -1.220 13.115 4.233 1.00 0.00 N ATOM 571 CA HIS A 37 0.088 13.616 3.805 1.00 0.00 C ATOM 572 C HIS A 37 1.143 12.516 3.933 1.00 0.00 C ATOM 573 O HIS A 37 2.334 12.738 3.719 1.00 0.00 O ATOM 574 CB HIS A 37 0.487 14.838 4.657 1.00 0.00 C ATOM 575 CG HIS A 37 1.704 15.572 4.159 1.00 0.00 C ATOM 576 ND1 HIS A 37 2.903 15.601 4.841 1.00 0.00 N ATOM 577 CD2 HIS A 37 1.897 16.311 3.041 1.00 0.00 C ATOM 578 CE1 HIS A 37 3.774 16.324 4.166 1.00 0.00 C ATOM 579 NE2 HIS A 37 3.191 16.766 3.071 1.00 0.00 N ATOM 0 H HIS A 37 -1.400 13.217 5.232 1.00 0.00 H new ATOM 0 HA HIS A 37 0.026 13.919 2.760 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -0.353 15.532 4.691 1.00 0.00 H new ATOM 0 HB3 HIS A 37 0.669 14.509 5.680 1.00 0.00 H new ATOM 0 HD2 HIS A 37 1.168 16.506 2.269 1.00 0.00 H new ATOM 0 HE1 HIS A 37 4.794 16.521 4.461 1.00 0.00 H new ATOM 0 HE2 HIS A 37 3.630 17.352 2.361 1.00 0.00 H new ATOM 588 N THR A 38 0.700 11.325 4.268 1.00 0.00 N ATOM 589 CA THR A 38 1.592 10.213 4.451 1.00 0.00 C ATOM 590 C THR A 38 1.728 9.394 3.162 1.00 0.00 C ATOM 591 O THR A 38 0.732 9.008 2.555 1.00 0.00 O ATOM 592 CB THR A 38 1.137 9.317 5.623 1.00 0.00 C ATOM 593 OG1 THR A 38 1.359 10.006 6.862 1.00 0.00 O ATOM 594 CG2 THR A 38 1.896 8.003 5.627 1.00 0.00 C ATOM 0 H THR A 38 -0.284 11.105 4.420 1.00 0.00 H new ATOM 0 HA THR A 38 2.573 10.618 4.699 1.00 0.00 H new ATOM 0 HB THR A 38 0.076 9.099 5.503 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.379 9.358 7.597 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.557 7.390 6.462 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.714 7.475 4.691 1.00 0.00 H new ATOM 0 HG23 THR A 38 2.963 8.200 5.731 1.00 0.00 H new ATOM 602 N PRO A 39 2.972 9.138 2.733 1.00 0.00 N ATOM 603 CA PRO A 39 3.253 8.400 1.500 1.00 0.00 C ATOM 604 C PRO A 39 2.871 6.920 1.572 1.00 0.00 C ATOM 605 O PRO A 39 2.930 6.284 2.634 1.00 0.00 O ATOM 606 CB PRO A 39 4.769 8.534 1.342 1.00 0.00 C ATOM 607 CG PRO A 39 5.276 8.782 2.717 1.00 0.00 C ATOM 608 CD PRO A 39 4.208 9.563 3.417 1.00 0.00 C ATOM 0 HA PRO A 39 2.672 8.798 0.668 1.00 0.00 H new ATOM 0 HB2 PRO A 39 5.204 7.629 0.918 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.025 9.355 0.672 1.00 0.00 H new ATOM 0 HG2 PRO A 39 5.475 7.844 3.234 1.00 0.00 H new ATOM 0 HG3 PRO A 39 6.213 9.338 2.693 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.176 9.335 4.483 1.00 0.00 H new ATOM 0 HD3 PRO A 39 4.370 10.637 3.325 1.00 0.00 H new ATOM 616 N LEU A 40 2.492 6.371 0.422 1.00 0.00 N ATOM 617 CA LEU A 40 2.141 4.967 0.262 1.00 0.00 C ATOM 618 C LEU A 40 3.290 4.027 0.626 1.00 0.00 C ATOM 619 O LEU A 40 3.097 2.821 0.738 1.00 0.00 O ATOM 620 CB LEU A 40 1.710 4.722 -1.179 1.00 0.00 C ATOM 621 CG LEU A 40 0.227 4.917 -1.479 1.00 0.00 C ATOM 622 CD1 LEU A 40 -0.318 6.183 -0.854 1.00 0.00 C ATOM 623 CD2 LEU A 40 -0.022 4.907 -2.972 1.00 0.00 C ATOM 0 H LEU A 40 2.419 6.904 -0.444 1.00 0.00 H new ATOM 0 HA LEU A 40 1.324 4.750 0.950 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.281 5.388 -1.826 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.984 3.702 -1.450 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.307 4.080 -1.030 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.377 6.281 -1.094 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.194 6.137 0.228 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.223 7.044 -1.245 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.086 5.048 -3.164 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.541 5.714 -3.440 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.299 3.952 -3.388 1.00 0.00 H new ATOM 635 N SER A 41 4.488 4.570 0.778 1.00 0.00 N ATOM 636 CA SER A 41 5.656 3.779 1.147 1.00 0.00 C ATOM 637 C SER A 41 5.389 2.982 2.429 1.00 0.00 C ATOM 638 O SER A 41 5.758 1.803 2.540 1.00 0.00 O ATOM 639 CB SER A 41 6.875 4.698 1.321 1.00 0.00 C ATOM 640 OG SER A 41 8.078 3.958 1.349 1.00 0.00 O ATOM 0 H SER A 41 4.679 5.564 0.651 1.00 0.00 H new ATOM 0 HA SER A 41 5.865 3.067 0.348 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.908 5.419 0.504 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.775 5.267 2.245 1.00 0.00 H new ATOM 0 HG SER A 41 8.579 4.116 0.522 1.00 0.00 H new ATOM 672 N LEU A 43 2.362 2.275 3.479 1.00 0.00 N ATOM 673 CA LEU A 43 1.241 1.415 3.114 1.00 0.00 C ATOM 674 C LEU A 43 1.751 0.108 2.530 1.00 0.00 C ATOM 675 O LEU A 43 1.361 -0.983 2.961 1.00 0.00 O ATOM 676 CB LEU A 43 0.318 2.154 2.107 1.00 0.00 C ATOM 677 CG LEU A 43 -0.860 1.353 1.519 1.00 0.00 C ATOM 678 CD1 LEU A 43 -1.943 2.294 1.043 1.00 0.00 C ATOM 679 CD2 LEU A 43 -0.410 0.482 0.354 1.00 0.00 C ATOM 0 HA LEU A 43 0.660 1.181 4.006 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.087 3.036 2.603 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.934 2.507 1.280 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.248 0.709 2.308 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.770 1.717 0.629 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.301 2.891 1.882 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.540 2.953 0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.264 -0.070 -0.039 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.007 1.112 -0.432 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.350 -0.220 0.697 1.00 0.00 H new ATOM 691 N MET A 44 2.630 0.223 1.546 1.00 0.00 N ATOM 692 CA MET A 44 3.208 -0.933 0.891 1.00 0.00 C ATOM 693 C MET A 44 3.923 -1.821 1.887 1.00 0.00 C ATOM 694 O MET A 44 3.675 -3.023 1.945 1.00 0.00 O ATOM 695 CB MET A 44 4.166 -0.499 -0.218 1.00 0.00 C ATOM 696 CG MET A 44 3.486 -0.221 -1.551 1.00 0.00 C ATOM 697 SD MET A 44 4.542 0.666 -2.701 1.00 0.00 S ATOM 698 CE MET A 44 3.410 0.918 -4.058 1.00 0.00 C ATOM 0 H MET A 44 2.959 1.117 1.183 1.00 0.00 H new ATOM 0 HA MET A 44 2.396 -1.507 0.445 1.00 0.00 H new ATOM 0 HB2 MET A 44 4.694 0.399 0.103 1.00 0.00 H new ATOM 0 HB3 MET A 44 4.917 -1.276 -0.360 1.00 0.00 H new ATOM 0 HG2 MET A 44 3.180 -1.165 -2.001 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.579 0.358 -1.377 1.00 0.00 H new ATOM 0 HE1 MET A 44 3.916 1.459 -4.858 1.00 0.00 H new ATOM 0 HE2 MET A 44 3.069 -0.048 -4.432 1.00 0.00 H new ATOM 0 HE3 MET A 44 2.553 1.497 -3.714 1.00 0.00 H new ATOM 708 N LYS A 45 4.789 -1.232 2.696 1.00 0.00 N ATOM 709 CA LYS A 45 5.548 -1.999 3.668 1.00 0.00 C ATOM 710 C LYS A 45 4.638 -2.633 4.726 1.00 0.00 C ATOM 711 O LYS A 45 4.835 -3.778 5.104 1.00 0.00 O ATOM 712 CB LYS A 45 6.641 -1.134 4.324 1.00 0.00 C ATOM 713 CG LYS A 45 7.471 -1.865 5.383 1.00 0.00 C ATOM 714 CD LYS A 45 8.081 -3.161 4.845 1.00 0.00 C ATOM 715 CE LYS A 45 9.250 -2.904 3.906 1.00 0.00 C ATOM 716 NZ LYS A 45 10.423 -2.344 4.619 1.00 0.00 N ATOM 0 H LYS A 45 4.983 -0.231 2.699 1.00 0.00 H new ATOM 0 HA LYS A 45 6.037 -2.812 3.131 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.310 -0.763 3.547 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.172 -0.264 4.783 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.267 -1.209 5.735 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.841 -2.091 6.243 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.417 -3.775 5.680 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.314 -3.730 4.319 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.534 -3.836 3.417 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.940 -2.214 3.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.262 -2.404 4.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.241 -1.349 4.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.590 -2.886 5.491 1.00 0.00 H new ATOM 730 N ALA A 46 3.609 -1.908 5.164 1.00 0.00 N ATOM 731 CA ALA A 46 2.708 -2.418 6.196 1.00 0.00 C ATOM 732 C ALA A 46 2.041 -3.709 5.742 1.00 0.00 C ATOM 733 O ALA A 46 2.028 -4.711 6.467 1.00 0.00 O ATOM 734 CB ALA A 46 1.665 -1.382 6.562 1.00 0.00 C ATOM 0 H ALA A 46 3.380 -0.974 4.824 1.00 0.00 H new ATOM 0 HA ALA A 46 3.302 -2.633 7.084 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.006 -1.785 7.332 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.159 -0.486 6.939 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.078 -1.128 5.679 1.00 0.00 H new ATOM 740 N TYR A 47 1.499 -3.701 4.529 1.00 0.00 N ATOM 741 CA TYR A 47 0.861 -4.885 3.979 1.00 0.00 C ATOM 742 C TYR A 47 1.870 -6.026 3.815 1.00 0.00 C ATOM 743 O TYR A 47 1.565 -7.199 4.092 1.00 0.00 O ATOM 744 CB TYR A 47 0.207 -4.563 2.628 1.00 0.00 C ATOM 745 CG TYR A 47 -0.114 -5.793 1.805 1.00 0.00 C ATOM 746 CD1 TYR A 47 -1.280 -6.505 2.015 1.00 0.00 C ATOM 747 CD2 TYR A 47 0.765 -6.245 0.828 1.00 0.00 C ATOM 748 CE1 TYR A 47 -1.571 -7.632 1.278 1.00 0.00 C ATOM 749 CE2 TYR A 47 0.484 -7.370 0.084 1.00 0.00 C ATOM 750 CZ TYR A 47 -0.684 -8.062 0.311 1.00 0.00 C ATOM 751 OH TYR A 47 -0.961 -9.193 -0.426 1.00 0.00 O ATOM 0 H TYR A 47 1.490 -2.889 3.912 1.00 0.00 H new ATOM 0 HA TYR A 47 0.089 -5.206 4.678 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.711 -4.002 2.802 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.872 -3.916 2.056 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.976 -6.172 2.771 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.683 -5.706 0.649 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.487 -8.176 1.455 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.176 -7.707 -0.673 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.234 -9.354 -1.063 1.00 0.00 H new ATOM 761 N CYS A 48 3.068 -5.676 3.372 1.00 0.00 N ATOM 762 CA CYS A 48 4.119 -6.656 3.115 1.00 0.00 C ATOM 763 C CYS A 48 4.526 -7.380 4.389 1.00 0.00 C ATOM 764 O CYS A 48 4.812 -8.578 4.375 1.00 0.00 O ATOM 765 CB CYS A 48 5.324 -5.991 2.459 1.00 0.00 C ATOM 766 SG CYS A 48 4.977 -5.294 0.834 1.00 0.00 S ATOM 0 H CYS A 48 3.341 -4.712 3.181 1.00 0.00 H new ATOM 0 HA CYS A 48 3.720 -7.401 2.427 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.690 -5.199 3.113 1.00 0.00 H new ATOM 0 HB3 CYS A 48 6.125 -6.724 2.366 1.00 0.00 H new ATOM 0 HG CYS A 48 4.514 -4.087 0.969 1.00 0.00 H new ATOM 772 N GLU A 49 4.525 -6.663 5.490 1.00 0.00 N ATOM 773 CA GLU A 49 4.886 -7.228 6.779 1.00 0.00 C ATOM 774 C GLU A 49 3.780 -8.141 7.298 1.00 0.00 C ATOM 775 O GLU A 49 4.041 -9.165 7.932 1.00 0.00 O ATOM 776 CB GLU A 49 5.145 -6.107 7.767 1.00 0.00 C ATOM 777 CG GLU A 49 6.224 -5.147 7.310 1.00 0.00 C ATOM 778 CD GLU A 49 7.608 -5.762 7.327 1.00 0.00 C ATOM 779 OE1 GLU A 49 8.158 -5.971 8.430 1.00 0.00 O ATOM 780 OE2 GLU A 49 8.151 -6.051 6.243 1.00 0.00 O ATOM 0 H GLU A 49 4.275 -5.675 5.522 1.00 0.00 H new ATOM 0 HA GLU A 49 5.791 -7.825 6.661 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.220 -5.553 7.929 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.432 -6.536 8.727 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.996 -4.807 6.300 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.216 -4.267 7.953 1.00 0.00 H new ATOM 787 N ARG A 50 2.537 -7.768 7.028 1.00 0.00 N ATOM 788 CA ARG A 50 1.382 -8.553 7.465 1.00 0.00 C ATOM 789 C ARG A 50 1.287 -9.858 6.699 1.00 0.00 C ATOM 790 O ARG A 50 1.130 -10.926 7.275 1.00 0.00 O ATOM 791 CB ARG A 50 0.094 -7.761 7.259 1.00 0.00 C ATOM 792 CG ARG A 50 0.027 -6.474 8.045 1.00 0.00 C ATOM 793 CD ARG A 50 0.008 -6.732 9.540 1.00 0.00 C ATOM 794 NE ARG A 50 -1.178 -7.481 9.958 1.00 0.00 N ATOM 795 CZ ARG A 50 -2.272 -6.928 10.499 1.00 0.00 C ATOM 796 NH1 ARG A 50 -2.350 -5.609 10.662 1.00 0.00 N ATOM 797 NH2 ARG A 50 -3.283 -7.696 10.876 1.00 0.00 N ATOM 0 H ARG A 50 2.298 -6.924 6.507 1.00 0.00 H new ATOM 0 HA ARG A 50 1.514 -8.773 8.524 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.013 -7.532 6.199 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.753 -8.388 7.537 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.884 -5.849 7.794 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.867 -5.919 7.760 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.903 -7.286 9.823 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.041 -5.781 10.071 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.171 -8.493 9.829 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.574 -5.013 10.374 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.186 -5.195 11.074 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.228 -8.707 10.754 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -4.116 -7.276 11.288 1.00 0.00 H new ATOM 811 N GLN A 51 1.385 -9.765 5.393 1.00 0.00 N ATOM 812 CA GLN A 51 1.254 -10.936 4.538 1.00 0.00 C ATOM 813 C GLN A 51 2.535 -11.753 4.488 1.00 0.00 C ATOM 814 O GLN A 51 2.517 -12.922 4.104 1.00 0.00 O ATOM 815 CB GLN A 51 0.821 -10.531 3.129 1.00 0.00 C ATOM 816 CG GLN A 51 -0.652 -10.806 2.824 1.00 0.00 C ATOM 817 CD GLN A 51 -1.621 -10.094 3.766 1.00 0.00 C ATOM 818 OE1 GLN A 51 -2.711 -10.593 4.044 1.00 0.00 O ATOM 819 NE2 GLN A 51 -1.240 -8.923 4.249 1.00 0.00 N ATOM 0 H GLN A 51 1.555 -8.892 4.893 1.00 0.00 H new ATOM 0 HA GLN A 51 0.481 -11.569 4.975 1.00 0.00 H new ATOM 0 HB2 GLN A 51 1.017 -9.467 2.992 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.436 -11.064 2.404 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.865 -10.499 1.800 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.830 -11.880 2.879 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -0.329 -8.539 3.997 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.857 -8.404 4.873 1.00 0.00 H new ATOM 828 N GLY A 52 3.647 -11.148 4.873 1.00 0.00 N ATOM 829 CA GLY A 52 4.906 -11.858 4.860 1.00 0.00 C ATOM 830 C GLY A 52 5.439 -12.027 3.462 1.00 0.00 C ATOM 831 O GLY A 52 5.672 -13.150 3.000 1.00 0.00 O ATOM 0 H GLY A 52 3.700 -10.181 5.193 1.00 0.00 H new ATOM 0 HA2 GLY A 52 5.635 -11.317 5.464 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.776 -12.838 5.320 1.00 0.00 H new ATOM 835 N LEU A 53 5.635 -10.926 2.773 1.00 0.00 N ATOM 836 CA LEU A 53 6.097 -10.967 1.403 1.00 0.00 C ATOM 837 C LEU A 53 6.980 -9.764 1.083 1.00 0.00 C ATOM 838 O LEU A 53 7.114 -8.841 1.894 1.00 0.00 O ATOM 839 CB LEU A 53 4.908 -11.097 0.421 1.00 0.00 C ATOM 840 CG LEU A 53 3.727 -10.140 0.628 1.00 0.00 C ATOM 841 CD1 LEU A 53 4.107 -8.723 0.263 1.00 0.00 C ATOM 842 CD2 LEU A 53 2.527 -10.599 -0.184 1.00 0.00 C ATOM 0 H LEU A 53 5.481 -9.987 3.140 1.00 0.00 H new ATOM 0 HA LEU A 53 6.715 -11.856 1.278 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.287 -10.954 -0.591 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.531 -12.118 0.479 1.00 0.00 H new ATOM 0 HG LEU A 53 3.458 -10.153 1.684 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.252 -8.065 0.419 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.936 -8.395 0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.408 -8.685 -0.784 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.697 -9.910 -0.027 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.789 -10.617 -1.242 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.234 -11.599 0.134 1.00 0.00 H new ATOM 854 N SER A 54 7.579 -9.769 -0.092 1.00 0.00 N ATOM 855 CA SER A 54 8.462 -8.701 -0.508 1.00 0.00 C ATOM 856 C SER A 54 7.727 -7.682 -1.384 1.00 0.00 C ATOM 857 O SER A 54 7.065 -8.048 -2.353 1.00 0.00 O ATOM 858 CB SER A 54 9.640 -9.296 -1.272 1.00 0.00 C ATOM 859 OG SER A 54 10.439 -10.109 -0.427 1.00 0.00 O ATOM 0 H SER A 54 7.467 -10.512 -0.782 1.00 0.00 H new ATOM 0 HA SER A 54 8.821 -8.178 0.379 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.272 -9.888 -2.110 1.00 0.00 H new ATOM 0 HB3 SER A 54 10.248 -8.494 -1.691 1.00 0.00 H new ATOM 0 HG SER A 54 11.186 -10.480 -0.941 1.00 0.00 H new ATOM 865 N MET A 55 7.861 -6.391 -1.055 1.00 0.00 N ATOM 866 CA MET A 55 7.212 -5.323 -1.832 1.00 0.00 C ATOM 867 C MET A 55 7.767 -5.251 -3.252 1.00 0.00 C ATOM 868 O MET A 55 7.091 -4.802 -4.173 1.00 0.00 O ATOM 869 CB MET A 55 7.348 -3.950 -1.146 1.00 0.00 C ATOM 870 CG MET A 55 8.774 -3.551 -0.799 1.00 0.00 C ATOM 871 SD MET A 55 8.955 -1.783 -0.494 1.00 0.00 S ATOM 872 CE MET A 55 7.666 -1.503 0.712 1.00 0.00 C ATOM 0 H MET A 55 8.409 -6.060 -0.261 1.00 0.00 H new ATOM 0 HA MET A 55 6.153 -5.575 -1.883 1.00 0.00 H new ATOM 0 HB2 MET A 55 6.921 -3.189 -1.799 1.00 0.00 H new ATOM 0 HB3 MET A 55 6.754 -3.955 -0.232 1.00 0.00 H new ATOM 0 HG2 MET A 55 9.095 -4.102 0.085 1.00 0.00 H new ATOM 0 HG3 MET A 55 9.436 -3.843 -1.614 1.00 0.00 H new ATOM 0 HE1 MET A 55 7.985 -0.732 1.413 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.757 -1.178 0.205 1.00 0.00 H new ATOM 0 HE3 MET A 55 7.468 -2.428 1.254 1.00 0.00 H new ATOM 882 N ARG A 56 8.999 -5.708 -3.433 1.00 0.00 N ATOM 883 CA ARG A 56 9.631 -5.703 -4.747 1.00 0.00 C ATOM 884 C ARG A 56 9.079 -6.843 -5.607 1.00 0.00 C ATOM 885 O ARG A 56 9.343 -6.928 -6.798 1.00 0.00 O ATOM 886 CB ARG A 56 11.155 -5.840 -4.608 1.00 0.00 C ATOM 887 CG ARG A 56 11.623 -7.237 -4.211 1.00 0.00 C ATOM 888 CD ARG A 56 13.116 -7.275 -3.945 1.00 0.00 C ATOM 889 NE ARG A 56 13.457 -6.704 -2.640 1.00 0.00 N ATOM 890 CZ ARG A 56 14.465 -5.855 -2.422 1.00 0.00 C ATOM 891 NH1 ARG A 56 15.217 -5.431 -3.434 1.00 0.00 N ATOM 892 NH2 ARG A 56 14.714 -5.432 -1.190 1.00 0.00 N ATOM 0 H ARG A 56 9.581 -6.087 -2.686 1.00 0.00 H new ATOM 0 HA ARG A 56 9.407 -4.754 -5.234 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.621 -5.568 -5.555 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.506 -5.126 -3.863 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.086 -7.561 -3.319 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.377 -7.942 -5.005 1.00 0.00 H new ATOM 0 HD2 ARG A 56 13.466 -8.306 -3.992 1.00 0.00 H new ATOM 0 HD3 ARG A 56 13.638 -6.725 -4.728 1.00 0.00 H new ATOM 0 HE ARG A 56 12.884 -6.974 -1.841 1.00 0.00 H new ATOM 0 HH11 ARG A 56 15.025 -5.754 -4.382 1.00 0.00 H new ATOM 0 HH12 ARG A 56 15.985 -4.783 -3.262 1.00 0.00 H new ATOM 0 HH21 ARG A 56 14.137 -5.755 -0.413 1.00 0.00 H new ATOM 0 HH22 ARG A 56 15.483 -4.784 -1.019 1.00 0.00 H new ATOM 906 N GLN A 57 8.328 -7.735 -4.979 1.00 0.00 N ATOM 907 CA GLN A 57 7.753 -8.883 -5.668 1.00 0.00 C ATOM 908 C GLN A 57 6.274 -8.698 -5.907 1.00 0.00 C ATOM 909 O GLN A 57 5.598 -9.587 -6.427 1.00 0.00 O ATOM 910 CB GLN A 57 7.972 -10.139 -4.846 1.00 0.00 C ATOM 911 CG GLN A 57 9.423 -10.455 -4.592 1.00 0.00 C ATOM 912 CD GLN A 57 10.170 -10.806 -5.859 1.00 0.00 C ATOM 913 OE1 GLN A 57 10.682 -9.803 -6.536 1.00 0.00 O flip ATOM 914 NE2 GLN A 57 10.256 -11.973 -6.240 1.00 0.00 N flip ATOM 0 H GLN A 57 8.101 -7.686 -3.986 1.00 0.00 H new ATOM 0 HA GLN A 57 8.250 -8.976 -6.634 1.00 0.00 H new ATOM 0 HB2 GLN A 57 7.461 -10.030 -3.889 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.511 -10.983 -5.359 1.00 0.00 H new ATOM 0 HG2 GLN A 57 9.901 -9.597 -4.118 1.00 0.00 H new ATOM 0 HG3 GLN A 57 9.493 -11.286 -3.891 1.00 0.00 H new ATOM 0 HE21 GLN A 57 9.844 -12.723 -5.684 1.00 0.00 H new ATOM 0 HE22 GLN A 57 10.739 -12.191 -7.112 1.00 0.00 H new ATOM 923 N ILE A 58 5.757 -7.547 -5.550 1.00 0.00 N ATOM 924 CA ILE A 58 4.343 -7.299 -5.681 1.00 0.00 C ATOM 925 C ILE A 58 4.089 -5.924 -6.241 1.00 0.00 C ATOM 926 O ILE A 58 5.006 -5.116 -6.379 1.00 0.00 O ATOM 927 CB ILE A 58 3.600 -7.435 -4.332 1.00 0.00 C ATOM 928 CG1 ILE A 58 4.254 -6.569 -3.273 1.00 0.00 C ATOM 929 CG2 ILE A 58 3.572 -8.877 -3.877 1.00 0.00 C ATOM 930 CD1 ILE A 58 3.389 -6.351 -2.060 1.00 0.00 C ATOM 0 H ILE A 58 6.294 -6.769 -5.167 1.00 0.00 H new ATOM 0 HA ILE A 58 3.959 -8.055 -6.366 1.00 0.00 H new ATOM 0 HB ILE A 58 2.574 -7.097 -4.478 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.191 -7.032 -2.963 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.505 -5.602 -3.709 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.044 -8.948 -2.926 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.059 -9.484 -4.623 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.593 -9.239 -3.754 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.919 -5.723 -1.343 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.462 -5.860 -2.357 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.159 -7.312 -1.600 1.00 0.00 H new ATOM 942 N ARG A 59 2.841 -5.653 -6.549 1.00 0.00 N ATOM 943 CA ARG A 59 2.444 -4.378 -7.092 1.00 0.00 C ATOM 944 C ARG A 59 1.098 -3.974 -6.571 1.00 0.00 C ATOM 945 O ARG A 59 0.239 -4.821 -6.296 1.00 0.00 O ATOM 946 CB ARG A 59 2.450 -4.390 -8.618 1.00 0.00 C ATOM 947 CG ARG A 59 3.840 -4.399 -9.225 1.00 0.00 C ATOM 948 CD ARG A 59 4.639 -3.174 -8.799 1.00 0.00 C ATOM 949 NE ARG A 59 4.164 -1.943 -9.422 1.00 0.00 N ATOM 950 CZ ARG A 59 4.538 -0.721 -9.041 1.00 0.00 C ATOM 951 NH1 ARG A 59 5.326 -0.565 -7.977 1.00 0.00 N ATOM 952 NH2 ARG A 59 4.122 0.344 -9.716 1.00 0.00 N ATOM 0 H ARG A 59 2.073 -6.313 -6.429 1.00 0.00 H new ATOM 0 HA ARG A 59 3.177 -3.640 -6.765 1.00 0.00 H new ATOM 0 HB2 ARG A 59 1.906 -5.267 -8.967 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.911 -3.515 -8.981 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.366 -5.303 -8.920 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.764 -4.426 -10.312 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.586 -3.071 -7.715 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.688 -3.324 -9.054 1.00 0.00 H new ATOM 0 HE ARG A 59 3.505 -2.022 -10.197 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.643 -1.381 -7.453 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.611 0.370 -7.687 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.515 0.228 -10.528 1.00 0.00 H new ATOM 0 HH22 ARG A 59 4.409 1.278 -9.423 1.00 0.00 H new ATOM 966 N PHE A 60 0.912 -2.678 -6.433 1.00 0.00 N ATOM 967 CA PHE A 60 -0.322 -2.121 -5.893 1.00 0.00 C ATOM 968 C PHE A 60 -1.069 -1.339 -6.960 1.00 0.00 C ATOM 969 O PHE A 60 -0.490 -0.483 -7.644 1.00 0.00 O ATOM 970 CB PHE A 60 -0.022 -1.203 -4.688 1.00 0.00 C ATOM 971 CG PHE A 60 0.530 -1.912 -3.485 1.00 0.00 C ATOM 972 CD1 PHE A 60 1.774 -2.517 -3.525 1.00 0.00 C ATOM 973 CD2 PHE A 60 -0.191 -1.957 -2.308 1.00 0.00 C ATOM 974 CE1 PHE A 60 2.283 -3.155 -2.418 1.00 0.00 C ATOM 975 CE2 PHE A 60 0.314 -2.596 -1.196 1.00 0.00 C ATOM 976 CZ PHE A 60 1.553 -3.198 -1.250 1.00 0.00 C ATOM 0 H PHE A 60 1.607 -1.977 -6.690 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.948 -2.949 -5.560 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.688 -0.437 -4.999 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.940 -0.690 -4.402 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.352 -2.488 -4.437 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.162 -1.486 -2.258 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.255 -3.623 -2.464 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.261 -2.625 -0.282 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.950 -3.701 -0.381 1.00 0.00 H new ATOM 986 N ARG A 61 -2.351 -1.627 -7.120 1.00 0.00 N ATOM 987 CA ARG A 61 -3.166 -0.917 -8.095 1.00 0.00 C ATOM 988 C ARG A 61 -4.481 -0.440 -7.485 1.00 0.00 C ATOM 989 O ARG A 61 -5.109 -1.138 -6.683 1.00 0.00 O ATOM 990 CB ARG A 61 -3.403 -1.777 -9.351 1.00 0.00 C ATOM 991 CG ARG A 61 -4.297 -2.986 -9.150 1.00 0.00 C ATOM 992 CD ARG A 61 -5.763 -2.679 -9.431 1.00 0.00 C ATOM 993 NE ARG A 61 -6.576 -3.897 -9.426 1.00 0.00 N ATOM 994 CZ ARG A 61 -7.882 -3.940 -9.677 1.00 0.00 C ATOM 995 NH1 ARG A 61 -8.546 -2.830 -9.967 1.00 0.00 N ATOM 996 NH2 ARG A 61 -8.526 -5.098 -9.632 1.00 0.00 N ATOM 0 H ARG A 61 -2.848 -2.343 -6.591 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.614 -0.029 -8.403 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.841 -1.147 -10.125 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.438 -2.118 -9.725 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -3.966 -3.792 -9.805 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.194 -3.344 -8.126 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.141 -1.985 -8.680 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.853 -2.184 -10.398 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.106 -4.777 -9.214 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.056 -1.936 -9.999 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.547 -2.870 -10.158 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.020 -5.954 -9.405 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.527 -5.133 -9.824 1.00 0.00 H new ATOM 1010 N PHE A 62 -4.886 0.749 -7.865 1.00 0.00 N ATOM 1011 CA PHE A 62 -6.103 1.361 -7.379 1.00 0.00 C ATOM 1012 C PHE A 62 -6.720 2.184 -8.494 1.00 0.00 C ATOM 1013 O PHE A 62 -6.009 2.831 -9.240 1.00 0.00 O ATOM 1014 CB PHE A 62 -5.786 2.265 -6.180 1.00 0.00 C ATOM 1015 CG PHE A 62 -6.972 3.004 -5.626 1.00 0.00 C ATOM 1016 CD1 PHE A 62 -7.800 2.409 -4.693 1.00 0.00 C ATOM 1017 CD2 PHE A 62 -7.254 4.297 -6.041 1.00 0.00 C ATOM 1018 CE1 PHE A 62 -8.888 3.088 -4.183 1.00 0.00 C ATOM 1019 CE2 PHE A 62 -8.343 4.979 -5.535 1.00 0.00 C ATOM 1020 CZ PHE A 62 -9.160 4.373 -4.604 1.00 0.00 C ATOM 0 H PHE A 62 -4.373 1.328 -8.530 1.00 0.00 H new ATOM 0 HA PHE A 62 -6.803 0.588 -7.063 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -5.350 1.657 -5.387 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -5.029 2.990 -6.478 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.594 1.403 -4.360 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.615 4.776 -6.768 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -9.527 2.613 -3.454 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.554 5.985 -5.868 1.00 0.00 H new ATOM 0 HZ PHE A 62 -10.012 4.904 -4.205 1.00 0.00 H new ATOM 1030 N ASP A 63 -8.040 2.133 -8.628 1.00 0.00 N ATOM 1031 CA ASP A 63 -8.760 2.928 -9.649 1.00 0.00 C ATOM 1032 C ASP A 63 -8.360 2.499 -11.046 1.00 0.00 C ATOM 1033 O ASP A 63 -8.447 3.274 -12.001 1.00 0.00 O ATOM 1034 CB ASP A 63 -8.448 4.413 -9.483 1.00 0.00 C ATOM 1035 CG ASP A 63 -9.487 5.314 -10.120 1.00 0.00 C ATOM 1036 OD1 ASP A 63 -10.695 5.098 -9.892 1.00 0.00 O ATOM 1037 OD2 ASP A 63 -9.102 6.239 -10.863 1.00 0.00 O ATOM 0 H ASP A 63 -8.645 1.552 -8.048 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.828 2.757 -9.511 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.376 4.646 -8.421 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.473 4.625 -9.923 1.00 0.00 H new ATOM 1042 N GLY A 64 -7.937 1.263 -11.188 1.00 0.00 N ATOM 1043 CA GLY A 64 -7.499 0.804 -12.475 1.00 0.00 C ATOM 1044 C GLY A 64 -6.087 1.242 -12.808 1.00 0.00 C ATOM 1045 O GLY A 64 -5.561 0.906 -13.868 1.00 0.00 O ATOM 0 H GLY A 64 -7.889 0.572 -10.439 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.553 -0.284 -12.505 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -8.180 1.178 -13.240 1.00 0.00 H new ATOM 1049 N GLN A 65 -5.454 1.988 -11.912 1.00 0.00 N ATOM 1050 CA GLN A 65 -4.107 2.477 -12.162 1.00 0.00 C ATOM 1051 C GLN A 65 -3.148 2.078 -11.040 1.00 0.00 C ATOM 1052 O GLN A 65 -3.532 1.998 -9.880 1.00 0.00 O ATOM 1053 CB GLN A 65 -4.118 4.000 -12.344 1.00 0.00 C ATOM 1054 CG GLN A 65 -4.751 4.761 -11.189 1.00 0.00 C ATOM 1055 CD GLN A 65 -4.837 6.243 -11.452 1.00 0.00 C ATOM 1056 OE1 GLN A 65 -3.920 7.002 -11.134 1.00 0.00 O ATOM 1057 NE2 GLN A 65 -5.936 6.661 -12.033 1.00 0.00 N ATOM 0 H GLN A 65 -5.849 2.265 -11.013 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.749 2.014 -13.082 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.093 4.347 -12.474 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.655 4.241 -13.261 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.751 4.369 -11.005 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.170 4.589 -10.283 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.668 5.995 -12.278 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.058 7.652 -12.240 1.00 0.00 H new ATOM 1066 N PRO A 66 -1.898 1.788 -11.383 1.00 0.00 N ATOM 1067 CA PRO A 66 -0.871 1.448 -10.402 1.00 0.00 C ATOM 1068 C PRO A 66 -0.427 2.680 -9.610 1.00 0.00 C ATOM 1069 O PRO A 66 -0.411 3.800 -10.133 1.00 0.00 O ATOM 1070 CB PRO A 66 0.279 0.924 -11.264 1.00 0.00 C ATOM 1071 CG PRO A 66 0.097 1.600 -12.579 1.00 0.00 C ATOM 1072 CD PRO A 66 -1.385 1.757 -12.761 1.00 0.00 C ATOM 0 HA PRO A 66 -1.221 0.730 -9.661 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.247 1.165 -10.824 1.00 0.00 H new ATOM 0 HB3 PRO A 66 0.237 -0.160 -11.366 1.00 0.00 H new ATOM 0 HG2 PRO A 66 0.597 2.569 -12.592 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.529 1.007 -13.386 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -1.629 2.672 -13.301 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -1.810 0.929 -13.329 1.00 0.00 H new ATOM 1080 N ILE A 67 -0.060 2.480 -8.358 1.00 0.00 N ATOM 1081 CA ILE A 67 0.376 3.579 -7.511 1.00 0.00 C ATOM 1082 C ILE A 67 1.736 3.305 -6.930 1.00 0.00 C ATOM 1083 O ILE A 67 2.047 2.188 -6.525 1.00 0.00 O ATOM 1084 CB ILE A 67 -0.614 3.918 -6.353 1.00 0.00 C ATOM 1085 CG1 ILE A 67 -1.025 2.660 -5.551 1.00 0.00 C ATOM 1086 CG2 ILE A 67 -1.833 4.669 -6.878 1.00 0.00 C ATOM 1087 CD1 ILE A 67 -2.163 1.870 -6.157 1.00 0.00 C ATOM 0 H ILE A 67 -0.054 1.567 -7.903 1.00 0.00 H new ATOM 0 HA ILE A 67 0.412 4.447 -8.169 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.088 4.574 -5.660 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.158 2.007 -5.455 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.308 2.964 -4.543 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.507 4.893 -6.051 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.513 5.599 -7.347 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.352 4.052 -7.612 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.382 1.007 -5.528 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.048 2.502 -6.227 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.880 1.530 -7.153 1.00 0.00 H new ATOM 1099 N ASN A 68 2.557 4.317 -6.927 1.00 0.00 N ATOM 1100 CA ASN A 68 3.887 4.232 -6.384 1.00 0.00 C ATOM 1101 C ASN A 68 3.887 4.615 -4.925 1.00 0.00 C ATOM 1102 O ASN A 68 3.017 5.351 -4.464 1.00 0.00 O ATOM 1103 CB ASN A 68 4.840 5.133 -7.175 1.00 0.00 C ATOM 1104 CG ASN A 68 4.120 6.303 -7.829 1.00 0.00 C ATOM 1105 OD1 ASN A 68 3.703 6.221 -8.987 1.00 0.00 O ATOM 1106 ND2 ASN A 68 3.950 7.376 -7.095 1.00 0.00 N ATOM 0 H ASN A 68 2.321 5.235 -7.305 1.00 0.00 H new ATOM 0 HA ASN A 68 4.232 3.202 -6.468 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.614 5.513 -6.508 1.00 0.00 H new ATOM 0 HB3 ASN A 68 5.341 4.543 -7.942 1.00 0.00 H new ATOM 0 HD21 ASN A 68 3.457 8.183 -7.478 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.310 7.404 -6.141 1.00 0.00 H new ATOM 1113 N GLU A 69 4.870 4.125 -4.193 1.00 0.00 N ATOM 1114 CA GLU A 69 4.988 4.403 -2.768 1.00 0.00 C ATOM 1115 C GLU A 69 5.234 5.883 -2.504 1.00 0.00 C ATOM 1116 O GLU A 69 5.055 6.374 -1.388 1.00 0.00 O ATOM 1117 CB GLU A 69 6.109 3.578 -2.156 1.00 0.00 C ATOM 1118 CG GLU A 69 7.389 3.581 -2.961 1.00 0.00 C ATOM 1119 CD GLU A 69 8.568 3.081 -2.159 1.00 0.00 C ATOM 1120 OE1 GLU A 69 8.889 3.692 -1.119 1.00 0.00 O ATOM 1121 OE2 GLU A 69 9.194 2.084 -2.573 1.00 0.00 O ATOM 0 H GLU A 69 5.607 3.526 -4.564 1.00 0.00 H new ATOM 0 HA GLU A 69 4.042 4.128 -2.302 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.320 3.957 -1.156 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.767 2.549 -2.041 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.262 2.956 -3.845 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.593 4.592 -3.312 1.00 0.00 H new ATOM 1128 N THR A 70 5.640 6.590 -3.532 1.00 0.00 N ATOM 1129 CA THR A 70 5.919 7.995 -3.432 1.00 0.00 C ATOM 1130 C THR A 70 4.640 8.825 -3.511 1.00 0.00 C ATOM 1131 O THR A 70 4.666 10.045 -3.331 1.00 0.00 O ATOM 1132 CB THR A 70 6.878 8.423 -4.546 1.00 0.00 C ATOM 1133 OG1 THR A 70 6.334 8.035 -5.813 1.00 0.00 O ATOM 1134 CG2 THR A 70 8.221 7.755 -4.363 1.00 0.00 C ATOM 0 H THR A 70 5.785 6.201 -4.464 1.00 0.00 H new ATOM 0 HA THR A 70 6.383 8.172 -2.462 1.00 0.00 H new ATOM 0 HB THR A 70 7.006 9.505 -4.507 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.945 8.309 -6.529 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.894 8.067 -5.161 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.642 8.043 -3.400 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.096 6.673 -4.396 1.00 0.00 H new ATOM 1142 N ASP A 71 3.512 8.173 -3.777 1.00 0.00 N ATOM 1143 CA ASP A 71 2.253 8.885 -3.878 1.00 0.00 C ATOM 1144 C ASP A 71 1.544 8.897 -2.539 1.00 0.00 C ATOM 1145 O ASP A 71 1.876 8.119 -1.646 1.00 0.00 O ATOM 1146 CB ASP A 71 1.362 8.269 -4.965 1.00 0.00 C ATOM 1147 CG ASP A 71 1.149 9.217 -6.123 1.00 0.00 C ATOM 1148 OD1 ASP A 71 0.618 10.326 -5.896 1.00 0.00 O ATOM 1149 OD2 ASP A 71 1.541 8.877 -7.259 1.00 0.00 O ATOM 0 H ASP A 71 3.448 7.166 -3.924 1.00 0.00 H new ATOM 0 HA ASP A 71 2.463 9.916 -4.164 1.00 0.00 H new ATOM 0 HB2 ASP A 71 1.817 7.348 -5.329 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.398 7.999 -4.534 1.00 0.00 H new ATOM 1154 N THR A 72 0.597 9.803 -2.375 1.00 0.00 N ATOM 1155 CA THR A 72 -0.160 9.908 -1.137 1.00 0.00 C ATOM 1156 C THR A 72 -1.642 9.639 -1.385 1.00 0.00 C ATOM 1157 O THR A 72 -2.144 9.881 -2.487 1.00 0.00 O ATOM 1158 CB THR A 72 0.001 11.308 -0.512 1.00 0.00 C ATOM 1159 OG1 THR A 72 -0.165 12.316 -1.525 1.00 0.00 O ATOM 1160 CG2 THR A 72 1.362 11.457 0.140 1.00 0.00 C ATOM 0 H THR A 72 0.331 10.482 -3.088 1.00 0.00 H new ATOM 0 HA THR A 72 0.232 9.160 -0.448 1.00 0.00 H new ATOM 0 HB THR A 72 -0.764 11.431 0.255 1.00 0.00 H new ATOM 0 HG1 THR A 72 -0.064 13.204 -1.123 1.00 0.00 H new ATOM 0 HG21 THR A 72 1.451 12.453 0.573 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.473 10.709 0.925 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.142 11.316 -0.609 1.00 0.00 H new ATOM 1168 N PRO A 73 -2.380 9.153 -0.361 1.00 0.00 N ATOM 1169 CA PRO A 73 -3.814 8.859 -0.495 1.00 0.00 C ATOM 1170 C PRO A 73 -4.644 10.129 -0.712 1.00 0.00 C ATOM 1171 O PRO A 73 -5.846 10.074 -0.993 1.00 0.00 O ATOM 1172 CB PRO A 73 -4.174 8.202 0.847 1.00 0.00 C ATOM 1173 CG PRO A 73 -3.137 8.686 1.801 1.00 0.00 C ATOM 1174 CD PRO A 73 -1.877 8.843 1.000 1.00 0.00 C ATOM 0 HA PRO A 73 -4.024 8.228 -1.359 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.174 8.489 1.172 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.163 7.115 0.770 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.433 9.633 2.251 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.995 7.976 2.616 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.249 9.644 1.390 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.277 7.933 1.010 1.00 0.00 H new ATOM 1182 N ALA A 74 -4.003 11.275 -0.572 1.00 0.00 N ATOM 1183 CA ALA A 74 -4.662 12.552 -0.768 1.00 0.00 C ATOM 1184 C ALA A 74 -4.433 13.074 -2.175 1.00 0.00 C ATOM 1185 O ALA A 74 -5.159 13.930 -2.656 1.00 0.00 O ATOM 1186 CB ALA A 74 -4.168 13.562 0.249 1.00 0.00 C ATOM 0 H ALA A 74 -3.017 11.346 -0.321 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.733 12.403 -0.629 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.672 14.515 0.089 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.384 13.201 1.255 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.092 13.696 0.135 1.00 0.00 H new ATOM 1192 N GLN A 75 -3.421 12.538 -2.851 1.00 0.00 N ATOM 1193 CA GLN A 75 -3.073 12.991 -4.190 1.00 0.00 C ATOM 1194 C GLN A 75 -4.150 12.598 -5.192 1.00 0.00 C ATOM 1195 O GLN A 75 -4.467 13.348 -6.116 1.00 0.00 O ATOM 1196 CB GLN A 75 -1.723 12.415 -4.612 1.00 0.00 C ATOM 1197 CG GLN A 75 -0.930 13.324 -5.537 1.00 0.00 C ATOM 1198 CD GLN A 75 -0.191 14.438 -4.794 1.00 0.00 C ATOM 1199 OE1 GLN A 75 -0.684 14.822 -3.627 1.00 0.00 O flip ATOM 1200 NE2 GLN A 75 0.835 14.925 -5.254 1.00 0.00 N flip ATOM 0 H GLN A 75 -2.829 11.789 -2.492 1.00 0.00 H new ATOM 0 HA GLN A 75 -3.001 14.079 -4.173 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -1.130 12.213 -3.720 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -1.886 11.459 -5.109 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -0.209 12.726 -6.094 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -1.606 13.769 -6.267 1.00 0.00 H new ATOM 0 HE21 GLN A 75 1.190 14.608 -6.156 1.00 0.00 H new ATOM 0 HE22 GLN A 75 1.334 15.647 -4.735 1.00 0.00 H new ATOM 1209 N LEU A 76 -4.721 11.426 -5.000 1.00 0.00 N ATOM 1210 CA LEU A 76 -5.772 10.929 -5.873 1.00 0.00 C ATOM 1211 C LEU A 76 -7.130 10.999 -5.179 1.00 0.00 C ATOM 1212 O LEU A 76 -8.152 10.615 -5.737 1.00 0.00 O ATOM 1213 CB LEU A 76 -5.470 9.487 -6.388 1.00 0.00 C ATOM 1214 CG LEU A 76 -4.765 8.490 -5.421 1.00 0.00 C ATOM 1215 CD1 LEU A 76 -3.277 8.801 -5.281 1.00 0.00 C ATOM 1216 CD2 LEU A 76 -5.434 8.473 -4.056 1.00 0.00 C ATOM 0 H LEU A 76 -4.473 10.792 -4.240 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.804 11.577 -6.749 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.415 9.039 -6.696 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.853 9.576 -7.282 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.863 7.497 -5.861 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.818 8.085 -4.599 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.797 8.731 -6.257 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.152 9.809 -4.887 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.917 7.767 -3.406 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.390 9.470 -3.617 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.475 8.170 -4.165 1.00 0.00 H new ATOM 1228 N GLU A 77 -7.116 11.510 -3.944 1.00 0.00 N ATOM 1229 CA GLU A 77 -8.315 11.677 -3.120 1.00 0.00 C ATOM 1230 C GLU A 77 -9.152 10.401 -3.019 1.00 0.00 C ATOM 1231 O GLU A 77 -10.331 10.382 -3.384 1.00 0.00 O ATOM 1232 CB GLU A 77 -9.179 12.834 -3.619 1.00 0.00 C ATOM 1233 CG GLU A 77 -8.521 14.195 -3.501 1.00 0.00 C ATOM 1234 CD GLU A 77 -9.485 15.314 -3.806 1.00 0.00 C ATOM 1235 OE1 GLU A 77 -10.257 15.698 -2.903 1.00 0.00 O ATOM 1236 OE2 GLU A 77 -9.497 15.799 -4.952 1.00 0.00 O ATOM 0 H GLU A 77 -6.261 11.823 -3.484 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.957 11.910 -2.117 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.437 12.657 -4.663 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.113 12.844 -3.057 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.126 14.321 -2.493 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.674 14.249 -4.185 1.00 0.00 H new ATOM 1243 N MET A 78 -8.549 9.335 -2.521 1.00 0.00 N ATOM 1244 CA MET A 78 -9.273 8.089 -2.320 1.00 0.00 C ATOM 1245 C MET A 78 -10.196 8.218 -1.122 1.00 0.00 C ATOM 1246 O MET A 78 -10.048 9.136 -0.308 1.00 0.00 O ATOM 1247 CB MET A 78 -8.317 6.911 -2.137 1.00 0.00 C ATOM 1248 CG MET A 78 -7.244 7.146 -1.094 1.00 0.00 C ATOM 1249 SD MET A 78 -6.219 5.694 -0.793 1.00 0.00 S ATOM 1250 CE MET A 78 -5.850 5.162 -2.461 1.00 0.00 C ATOM 0 H MET A 78 -7.566 9.305 -2.250 1.00 0.00 H new ATOM 0 HA MET A 78 -9.869 7.892 -3.211 1.00 0.00 H new ATOM 0 HB2 MET A 78 -8.893 6.028 -1.859 1.00 0.00 H new ATOM 0 HB3 MET A 78 -7.839 6.692 -3.092 1.00 0.00 H new ATOM 0 HG2 MET A 78 -6.609 7.971 -1.415 1.00 0.00 H new ATOM 0 HG3 MET A 78 -7.715 7.451 -0.159 1.00 0.00 H new ATOM 0 HE1 MET A 78 -4.817 4.819 -2.513 1.00 0.00 H new ATOM 0 HE2 MET A 78 -6.518 4.347 -2.739 1.00 0.00 H new ATOM 0 HE3 MET A 78 -5.990 5.996 -3.148 1.00 0.00 H new ATOM 1260 N GLU A 79 -11.133 7.309 -0.994 1.00 0.00 N ATOM 1261 CA GLU A 79 -12.114 7.394 0.067 1.00 0.00 C ATOM 1262 C GLU A 79 -11.761 6.461 1.220 1.00 0.00 C ATOM 1263 O GLU A 79 -11.367 5.324 1.004 1.00 0.00 O ATOM 1264 CB GLU A 79 -13.496 7.054 -0.491 1.00 0.00 C ATOM 1265 CG GLU A 79 -14.632 7.299 0.476 1.00 0.00 C ATOM 1266 CD GLU A 79 -15.985 7.038 -0.143 1.00 0.00 C ATOM 1267 OE1 GLU A 79 -16.339 7.719 -1.132 1.00 0.00 O ATOM 1268 OE2 GLU A 79 -16.711 6.164 0.362 1.00 0.00 O ATOM 0 H GLU A 79 -11.239 6.502 -1.609 1.00 0.00 H new ATOM 0 HA GLU A 79 -12.120 8.412 0.457 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -13.667 7.644 -1.392 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -13.507 6.006 -0.789 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -14.506 6.659 1.349 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -14.590 8.330 0.828 1.00 0.00 H new ATOM 1275 N ASP A 80 -11.855 6.974 2.449 1.00 0.00 N ATOM 1276 CA ASP A 80 -11.605 6.187 3.669 1.00 0.00 C ATOM 1277 C ASP A 80 -12.200 4.781 3.615 1.00 0.00 C ATOM 1278 O ASP A 80 -13.326 4.570 3.160 1.00 0.00 O ATOM 1279 CB ASP A 80 -12.108 6.925 4.927 1.00 0.00 C ATOM 1280 CG ASP A 80 -13.621 7.102 4.975 1.00 0.00 C ATOM 1281 OD1 ASP A 80 -14.130 8.084 4.393 1.00 0.00 O ATOM 1282 OD2 ASP A 80 -14.304 6.270 5.616 1.00 0.00 O ATOM 0 H ASP A 80 -12.106 7.946 2.631 1.00 0.00 H new ATOM 0 HA ASP A 80 -10.522 6.074 3.728 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -11.788 6.374 5.812 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.635 7.906 4.974 1.00 0.00 H new ATOM 1287 N GLU A 81 -11.393 3.822 4.057 1.00 0.00 N ATOM 1288 CA GLU A 81 -11.749 2.404 4.142 1.00 0.00 C ATOM 1289 C GLU A 81 -11.774 1.744 2.770 1.00 0.00 C ATOM 1290 O GLU A 81 -12.320 0.654 2.598 1.00 0.00 O ATOM 1291 CB GLU A 81 -13.065 2.177 4.899 1.00 0.00 C ATOM 1292 CG GLU A 81 -13.040 2.702 6.328 1.00 0.00 C ATOM 1293 CD GLU A 81 -14.110 2.090 7.194 1.00 0.00 C ATOM 1294 OE1 GLU A 81 -15.290 2.476 7.056 1.00 0.00 O ATOM 1295 OE2 GLU A 81 -13.779 1.215 8.023 1.00 0.00 O ATOM 0 H GLU A 81 -10.443 4.013 4.377 1.00 0.00 H new ATOM 0 HA GLU A 81 -10.963 1.922 4.723 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -13.876 2.662 4.356 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -13.286 1.110 4.916 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -12.063 2.499 6.768 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -13.165 3.785 6.315 1.00 0.00 H new ATOM 1302 N ASP A 82 -11.165 2.402 1.786 1.00 0.00 N ATOM 1303 CA ASP A 82 -11.077 1.854 0.439 1.00 0.00 C ATOM 1304 C ASP A 82 -10.096 0.689 0.401 1.00 0.00 C ATOM 1305 O ASP A 82 -9.466 0.360 1.406 1.00 0.00 O ATOM 1306 CB ASP A 82 -10.639 2.921 -0.554 1.00 0.00 C ATOM 1307 CG ASP A 82 -11.385 2.810 -1.861 1.00 0.00 C ATOM 1308 OD1 ASP A 82 -11.256 1.771 -2.535 1.00 0.00 O ATOM 1309 OD2 ASP A 82 -12.120 3.760 -2.212 1.00 0.00 O ATOM 0 H ASP A 82 -10.726 3.316 1.899 1.00 0.00 H new ATOM 0 HA ASP A 82 -12.068 1.498 0.158 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.805 3.908 -0.123 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.568 2.829 -0.738 1.00 0.00 H new ATOM 1314 N THR A 83 -9.940 0.075 -0.752 1.00 0.00 N ATOM 1315 CA THR A 83 -9.068 -1.072 -0.876 1.00 0.00 C ATOM 1316 C THR A 83 -8.193 -0.970 -2.129 1.00 0.00 C ATOM 1317 O THR A 83 -8.573 -0.360 -3.125 1.00 0.00 O ATOM 1318 CB THR A 83 -9.887 -2.381 -0.923 1.00 0.00 C ATOM 1319 OG1 THR A 83 -11.020 -2.268 -0.047 1.00 0.00 O ATOM 1320 CG2 THR A 83 -9.042 -3.561 -0.472 1.00 0.00 C ATOM 0 H THR A 83 -10.406 0.351 -1.617 1.00 0.00 H new ATOM 0 HA THR A 83 -8.422 -1.086 0.002 1.00 0.00 H new ATOM 0 HB THR A 83 -10.213 -2.545 -1.950 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.541 -3.097 -0.077 1.00 0.00 H new ATOM 0 HG21 THR A 83 -9.638 -4.472 -0.513 1.00 0.00 H new ATOM 0 HG22 THR A 83 -8.179 -3.663 -1.129 1.00 0.00 H new ATOM 0 HG23 THR A 83 -8.702 -3.395 0.550 1.00 0.00 H new ATOM 1328 N ILE A 84 -7.021 -1.577 -2.070 1.00 0.00 N ATOM 1329 CA ILE A 84 -6.072 -1.576 -3.168 1.00 0.00 C ATOM 1330 C ILE A 84 -5.757 -3.016 -3.539 1.00 0.00 C ATOM 1331 O ILE A 84 -5.642 -3.869 -2.664 1.00 0.00 O ATOM 1332 CB ILE A 84 -4.748 -0.820 -2.794 1.00 0.00 C ATOM 1333 CG1 ILE A 84 -4.971 0.699 -2.719 1.00 0.00 C ATOM 1334 CG2 ILE A 84 -3.628 -1.133 -3.775 1.00 0.00 C ATOM 1335 CD1 ILE A 84 -5.704 1.161 -1.485 1.00 0.00 C ATOM 0 H ILE A 84 -6.698 -2.090 -1.249 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.518 -1.051 -4.013 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.450 -1.176 -1.808 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -4.003 1.198 -2.760 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -5.531 1.016 -3.599 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.728 -0.592 -3.484 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.426 -2.204 -3.767 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.927 -0.827 -4.778 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -5.818 2.245 -1.514 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -6.688 0.694 -1.450 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.137 0.879 -0.598 1.00 0.00 H new ATOM 1347 N ASP A 85 -5.639 -3.299 -4.823 1.00 0.00 N ATOM 1348 CA ASP A 85 -5.373 -4.661 -5.282 1.00 0.00 C ATOM 1349 C ASP A 85 -3.895 -4.909 -5.376 1.00 0.00 C ATOM 1350 O ASP A 85 -3.137 -4.066 -5.875 1.00 0.00 O ATOM 1351 CB ASP A 85 -5.998 -4.888 -6.638 1.00 0.00 C ATOM 1352 CG ASP A 85 -5.931 -6.327 -7.108 1.00 0.00 C ATOM 1353 OD1 ASP A 85 -6.331 -7.230 -6.350 1.00 0.00 O ATOM 1354 OD2 ASP A 85 -5.493 -6.549 -8.263 1.00 0.00 O ATOM 0 H ASP A 85 -5.722 -2.609 -5.570 1.00 0.00 H new ATOM 0 HA ASP A 85 -5.808 -5.351 -4.559 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -7.041 -4.575 -6.604 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -5.498 -4.253 -7.369 1.00 0.00 H new ATOM 1359 N VAL A 86 -3.478 -6.044 -4.897 1.00 0.00 N ATOM 1360 CA VAL A 86 -2.097 -6.427 -4.936 1.00 0.00 C ATOM 1361 C VAL A 86 -1.913 -7.697 -5.727 1.00 0.00 C ATOM 1362 O VAL A 86 -2.649 -8.672 -5.569 1.00 0.00 O ATOM 1363 CB VAL A 86 -1.508 -6.592 -3.510 1.00 0.00 C ATOM 1364 CG1 VAL A 86 -0.332 -7.562 -3.496 1.00 0.00 C ATOM 1365 CG2 VAL A 86 -1.068 -5.250 -2.986 1.00 0.00 C ATOM 0 H VAL A 86 -4.091 -6.735 -4.465 1.00 0.00 H new ATOM 0 HA VAL A 86 -1.553 -5.624 -5.433 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.288 -7.004 -2.869 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.054 -7.652 -2.480 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.663 -8.540 -3.846 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.455 -7.189 -4.151 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.655 -5.368 -1.984 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.307 -4.834 -3.646 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.924 -4.576 -2.948 1.00 0.00 H new ATOM 1375 N PHE A 87 -0.919 -7.690 -6.563 1.00 0.00 N ATOM 1376 CA PHE A 87 -0.598 -8.829 -7.384 1.00 0.00 C ATOM 1377 C PHE A 87 0.886 -9.087 -7.332 1.00 0.00 C ATOM 1378 O PHE A 87 1.687 -8.152 -7.295 1.00 0.00 O ATOM 1379 CB PHE A 87 -1.089 -8.632 -8.822 1.00 0.00 C ATOM 1380 CG PHE A 87 -0.914 -7.236 -9.360 1.00 0.00 C ATOM 1381 CD1 PHE A 87 -1.755 -6.215 -8.948 1.00 0.00 C ATOM 1382 CD2 PHE A 87 0.080 -6.949 -10.274 1.00 0.00 C ATOM 1383 CE1 PHE A 87 -1.608 -4.941 -9.431 1.00 0.00 C ATOM 1384 CE2 PHE A 87 0.233 -5.667 -10.770 1.00 0.00 C ATOM 1385 CZ PHE A 87 -0.613 -4.661 -10.345 1.00 0.00 C ATOM 0 H PHE A 87 -0.301 -6.890 -6.699 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.115 -9.705 -6.993 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -0.557 -9.327 -9.472 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -2.145 -8.896 -8.870 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -2.538 -6.426 -8.235 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.745 -7.733 -10.605 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -2.271 -4.157 -9.096 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.011 -5.453 -11.487 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.496 -3.658 -10.727 1.00 0.00 H new ATOM 1395 N GLN A 88 1.270 -10.348 -7.316 1.00 0.00 N ATOM 1396 CA GLN A 88 2.669 -10.695 -7.190 1.00 0.00 C ATOM 1397 C GLN A 88 3.226 -11.135 -8.525 1.00 0.00 C ATOM 1398 O GLN A 88 2.826 -12.163 -9.071 1.00 0.00 O ATOM 1399 CB GLN A 88 2.870 -11.803 -6.144 1.00 0.00 C ATOM 1400 CG GLN A 88 1.928 -11.709 -4.944 1.00 0.00 C ATOM 1401 CD GLN A 88 2.489 -12.340 -3.677 1.00 0.00 C ATOM 1402 OE1 GLN A 88 1.742 -12.918 -2.881 1.00 0.00 O ATOM 1403 NE2 GLN A 88 3.782 -12.181 -3.447 1.00 0.00 N ATOM 0 H GLN A 88 0.636 -11.144 -7.388 1.00 0.00 H new ATOM 0 HA GLN A 88 3.207 -9.807 -6.857 1.00 0.00 H new ATOM 0 HB2 GLN A 88 2.732 -12.771 -6.625 1.00 0.00 H new ATOM 0 HB3 GLN A 88 3.899 -11.768 -5.787 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.705 -10.660 -4.749 1.00 0.00 H new ATOM 0 HG3 GLN A 88 0.985 -12.194 -5.194 1.00 0.00 H new ATOM 0 HE21 GLN A 88 4.366 -11.698 -4.130 1.00 0.00 H new ATOM 0 HE22 GLN A 88 4.195 -12.542 -2.587 1.00 0.00 H new