USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 577 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 54 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 57 GLN : amide:sc= -2.53! C(o=-2.5!,f=-4.8!) USER MOD Set 2.1: A 48 CYS SG : rot 72:sc= -2.31! USER MOD Set 2.2: A 55 MET CE :methyl -139:sc= -0.604 (180deg=-2.07) USER MOD Set 3.1: A 28 SER OG : rot -146:sc= 0.638 USER MOD Set 3.2: A 51 GLN : amide:sc= -0.0209 K(o=0.62,f=-2.9!) USER MOD Single : A 17 HIS : no HD1:sc= -0.43 X(o=-0.43,f=-0.029) USER MOD Single : A 19 ASN : amide:sc= -1.92 K(o=-1.9,f=-5.4!) USER MOD Single : A 21 LYS NZ :NH3+ 165:sc= 1.29 (180deg=1.13) USER MOD Single : A 25 GLN :FLIP amide:sc= -0.0659 F(o=-0.89,f=-0.066) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.0436 F(o=-1,f=-0.044) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.112 X(o=-0.11,f=-0.1) USER MOD Single : A 38 THR OG1 : rot -110:sc= -3.86! USER MOD Single : A 41 SER OG : rot 180:sc= -1.27 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl 175:sc= -1.37 (180deg=-1.51) USER MOD Single : A 45 LYS NZ :NH3+ -121:sc= 1.08 (180deg=0.0788) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.832 X(o=-0.83,f=-0.4) USER MOD Single : A 68 ASN : amide:sc= 0.683 K(o=0.68,f=-0.34) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.00614 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0207 USER MOD Single : A 75 GLN : amide:sc= -0.269 X(o=-0.27,f=-0.043) USER MOD Single : A 78 MET CE :methyl -147:sc= -2.36! (180deg=-2.73) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN :FLIP amide:sc= -0.516 F(o=-2.4,f=-0.52) USER MOD Single : A 89 GLN : amide:sc= 0.125 K(o=0.13,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 242 N HIS A 17 -0.797 15.735 1.606 1.00 0.00 N ATOM 243 CA HIS A 17 -0.697 14.286 1.657 1.00 0.00 C ATOM 244 C HIS A 17 -2.061 13.642 1.842 1.00 0.00 C ATOM 245 O HIS A 17 -2.970 14.224 2.433 1.00 0.00 O ATOM 246 CB HIS A 17 0.294 13.806 2.753 1.00 0.00 C ATOM 247 CG HIS A 17 -0.186 13.956 4.182 1.00 0.00 C ATOM 248 ND1 HIS A 17 0.390 14.825 5.076 1.00 0.00 N ATOM 249 CD2 HIS A 17 -1.171 13.315 4.870 1.00 0.00 C ATOM 250 CE1 HIS A 17 -0.213 14.721 6.248 1.00 0.00 C ATOM 251 NE2 HIS A 17 -1.163 13.812 6.147 1.00 0.00 N ATOM 0 HA HIS A 17 -0.298 13.965 0.695 1.00 0.00 H new ATOM 0 HB2 HIS A 17 0.524 12.756 2.574 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.226 14.360 2.642 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -1.835 12.557 4.482 1.00 0.00 H new ATOM 0 HE1 HIS A 17 0.031 15.284 7.137 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -1.791 13.525 6.898 1.00 0.00 H new ATOM 260 N ILE A 18 -2.193 12.433 1.355 1.00 0.00 N ATOM 261 CA ILE A 18 -3.421 11.685 1.473 1.00 0.00 C ATOM 262 C ILE A 18 -3.136 10.301 2.038 1.00 0.00 C ATOM 263 O ILE A 18 -1.978 9.903 2.194 1.00 0.00 O ATOM 264 CB ILE A 18 -4.158 11.539 0.115 1.00 0.00 C ATOM 265 CG1 ILE A 18 -3.223 10.953 -0.949 1.00 0.00 C ATOM 266 CG2 ILE A 18 -4.722 12.880 -0.340 1.00 0.00 C ATOM 267 CD1 ILE A 18 -3.931 10.534 -2.224 1.00 0.00 C ATOM 0 H ILE A 18 -1.449 11.938 0.864 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.070 12.244 2.147 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.991 10.850 0.252 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.460 11.691 -1.194 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.708 10.089 -0.530 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -5.234 12.754 -1.294 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.427 13.250 0.405 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.909 13.596 -0.457 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.204 10.129 -2.928 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.675 9.772 -1.993 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.423 11.399 -2.668 1.00 0.00 H new ATOM 279 N ASN A 19 -4.178 9.580 2.366 1.00 0.00 N ATOM 280 CA ASN A 19 -4.042 8.234 2.896 1.00 0.00 C ATOM 281 C ASN A 19 -4.464 7.228 1.851 1.00 0.00 C ATOM 282 O ASN A 19 -5.482 7.400 1.198 1.00 0.00 O ATOM 283 CB ASN A 19 -4.908 8.067 4.154 1.00 0.00 C ATOM 284 CG ASN A 19 -4.951 6.634 4.667 1.00 0.00 C ATOM 285 OD1 ASN A 19 -5.766 5.836 4.226 1.00 0.00 O ATOM 286 ND2 ASN A 19 -4.090 6.309 5.611 1.00 0.00 N ATOM 0 H ASN A 19 -5.142 9.901 2.276 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.998 8.065 3.161 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.524 8.716 4.941 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.923 8.398 3.935 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -4.089 5.365 5.998 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -3.424 7.001 5.955 1.00 0.00 H new ATOM 293 N LEU A 20 -3.679 6.199 1.670 1.00 0.00 N ATOM 294 CA LEU A 20 -4.019 5.146 0.740 1.00 0.00 C ATOM 295 C LEU A 20 -4.015 3.826 1.457 1.00 0.00 C ATOM 296 O LEU A 20 -3.120 3.544 2.256 1.00 0.00 O ATOM 297 CB LEU A 20 -3.057 5.102 -0.466 1.00 0.00 C ATOM 298 CG LEU A 20 -3.167 6.253 -1.482 1.00 0.00 C ATOM 299 CD1 LEU A 20 -4.614 6.487 -1.887 1.00 0.00 C ATOM 300 CD2 LEU A 20 -2.546 7.521 -0.937 1.00 0.00 C ATOM 0 H LEU A 20 -2.793 6.064 2.157 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.015 5.353 0.348 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.036 5.081 -0.086 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.219 4.164 -0.996 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.611 5.964 -2.374 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.663 7.305 -2.605 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.016 5.581 -2.341 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.202 6.742 -1.005 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.638 8.318 -1.675 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.060 7.814 -0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.492 7.346 -0.721 1.00 0.00 H new ATOM 312 N LYS A 21 -5.016 3.026 1.210 1.00 0.00 N ATOM 313 CA LYS A 21 -5.126 1.743 1.850 1.00 0.00 C ATOM 314 C LYS A 21 -5.182 0.654 0.817 1.00 0.00 C ATOM 315 O LYS A 21 -5.760 0.819 -0.241 1.00 0.00 O ATOM 316 CB LYS A 21 -6.361 1.702 2.739 1.00 0.00 C ATOM 317 CG LYS A 21 -6.370 2.792 3.793 1.00 0.00 C ATOM 318 CD LYS A 21 -7.618 2.734 4.661 1.00 0.00 C ATOM 319 CE LYS A 21 -8.867 2.977 3.838 1.00 0.00 C ATOM 320 NZ LYS A 21 -10.073 3.135 4.681 1.00 0.00 N ATOM 0 H LYS A 21 -5.774 3.243 0.563 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.247 1.583 2.475 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.252 1.797 2.118 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.417 0.730 3.229 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.486 2.695 4.423 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.311 3.766 3.308 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.682 1.760 5.146 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.549 3.480 5.452 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.731 3.872 3.231 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.014 2.144 3.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.842 3.545 4.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.367 2.206 5.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.858 3.766 5.480 1.00 0.00 H new ATOM 334 N VAL A 22 -4.594 -0.460 1.122 1.00 0.00 N ATOM 335 CA VAL A 22 -4.538 -1.565 0.199 1.00 0.00 C ATOM 336 C VAL A 22 -5.177 -2.797 0.806 1.00 0.00 C ATOM 337 O VAL A 22 -4.830 -3.205 1.907 1.00 0.00 O ATOM 338 CB VAL A 22 -3.081 -1.862 -0.216 1.00 0.00 C ATOM 339 CG1 VAL A 22 -2.200 -1.952 0.986 1.00 0.00 C ATOM 340 CG2 VAL A 22 -2.997 -3.125 -1.041 1.00 0.00 C ATOM 0 H VAL A 22 -4.137 -0.636 2.017 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.097 -1.289 -0.695 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.731 -1.036 -0.835 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.177 -2.162 0.673 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.227 -1.007 1.528 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.552 -2.753 1.636 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.959 -3.310 -1.319 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.371 -3.966 -0.458 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.600 -3.012 -1.942 1.00 0.00 H new ATOM 350 N ALA A 23 -6.108 -3.388 0.090 1.00 0.00 N ATOM 351 CA ALA A 23 -6.811 -4.552 0.572 1.00 0.00 C ATOM 352 C ALA A 23 -6.537 -5.740 -0.335 1.00 0.00 C ATOM 353 O ALA A 23 -6.727 -5.674 -1.554 1.00 0.00 O ATOM 354 CB ALA A 23 -8.304 -4.276 0.650 1.00 0.00 C ATOM 0 H ALA A 23 -6.396 -3.076 -0.837 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.453 -4.787 1.574 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.820 -5.164 1.015 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.485 -3.445 1.332 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.679 -4.021 -0.341 1.00 0.00 H new ATOM 360 N GLY A 24 -6.100 -6.821 0.248 1.00 0.00 N ATOM 361 CA GLY A 24 -5.799 -7.987 -0.521 1.00 0.00 C ATOM 362 C GLY A 24 -6.866 -9.032 -0.378 1.00 0.00 C ATOM 363 O GLY A 24 -7.553 -9.082 0.639 1.00 0.00 O ATOM 0 H GLY A 24 -5.946 -6.915 1.252 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.694 -7.714 -1.571 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.841 -8.398 -0.201 1.00 0.00 H new ATOM 367 N GLN A 25 -7.016 -9.876 -1.399 1.00 0.00 N ATOM 368 CA GLN A 25 -7.986 -10.990 -1.382 1.00 0.00 C ATOM 369 C GLN A 25 -7.833 -11.893 -0.141 1.00 0.00 C ATOM 370 O GLN A 25 -8.720 -12.676 0.188 1.00 0.00 O ATOM 371 CB GLN A 25 -7.885 -11.822 -2.677 1.00 0.00 C ATOM 372 CG GLN A 25 -6.476 -11.933 -3.285 1.00 0.00 C ATOM 373 CD GLN A 25 -5.448 -12.556 -2.356 1.00 0.00 C ATOM 374 OE1 GLN A 25 -4.687 -11.721 -1.663 1.00 0.00 O flip ATOM 375 NE2 GLN A 25 -5.307 -13.766 -2.298 1.00 0.00 N flip ATOM 0 H GLN A 25 -6.475 -9.814 -2.261 1.00 0.00 H new ATOM 0 HA GLN A 25 -8.978 -10.542 -1.326 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -8.253 -12.827 -2.472 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.550 -11.385 -3.422 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -6.531 -12.526 -4.198 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -6.136 -10.938 -3.571 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -5.912 -14.377 -2.846 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.584 -14.167 -1.701 1.00 0.00 H new ATOM 384 N ASP A 26 -6.699 -11.774 0.537 1.00 0.00 N ATOM 385 CA ASP A 26 -6.425 -12.527 1.758 1.00 0.00 C ATOM 386 C ASP A 26 -7.303 -12.022 2.909 1.00 0.00 C ATOM 387 O ASP A 26 -7.579 -12.739 3.869 1.00 0.00 O ATOM 388 CB ASP A 26 -4.935 -12.372 2.113 1.00 0.00 C ATOM 389 CG ASP A 26 -4.601 -12.787 3.532 1.00 0.00 C ATOM 390 OD1 ASP A 26 -4.369 -13.987 3.771 1.00 0.00 O ATOM 391 OD2 ASP A 26 -4.553 -11.904 4.411 1.00 0.00 O ATOM 0 H ASP A 26 -5.941 -11.152 0.257 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.656 -13.580 1.596 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.341 -12.968 1.420 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -4.643 -11.332 1.970 1.00 0.00 H new ATOM 396 N GLY A 27 -7.763 -10.787 2.787 1.00 0.00 N ATOM 397 CA GLY A 27 -8.605 -10.193 3.805 1.00 0.00 C ATOM 398 C GLY A 27 -7.825 -9.230 4.671 1.00 0.00 C ATOM 399 O GLY A 27 -8.310 -8.759 5.700 1.00 0.00 O ATOM 0 H GLY A 27 -7.566 -10.179 1.992 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.436 -9.669 3.332 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.036 -10.978 4.427 1.00 0.00 H new ATOM 403 N SER A 28 -6.608 -8.939 4.255 1.00 0.00 N ATOM 404 CA SER A 28 -5.736 -8.035 4.974 1.00 0.00 C ATOM 405 C SER A 28 -5.718 -6.665 4.294 1.00 0.00 C ATOM 406 O SER A 28 -6.017 -6.549 3.097 1.00 0.00 O ATOM 407 CB SER A 28 -4.322 -8.625 5.039 1.00 0.00 C ATOM 408 OG SER A 28 -3.433 -7.793 5.764 1.00 0.00 O ATOM 0 H SER A 28 -6.196 -9.325 3.406 1.00 0.00 H new ATOM 0 HA SER A 28 -6.110 -7.907 5.990 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.361 -9.609 5.507 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.942 -8.768 4.028 1.00 0.00 H new ATOM 0 HG SER A 28 -2.536 -7.855 5.374 1.00 0.00 H new ATOM 414 N VAL A 29 -5.369 -5.631 5.047 1.00 0.00 N ATOM 415 CA VAL A 29 -5.327 -4.273 4.532 1.00 0.00 C ATOM 416 C VAL A 29 -4.256 -3.456 5.255 1.00 0.00 C ATOM 417 O VAL A 29 -4.057 -3.598 6.464 1.00 0.00 O ATOM 418 CB VAL A 29 -6.716 -3.574 4.654 1.00 0.00 C ATOM 419 CG1 VAL A 29 -7.246 -3.667 6.067 1.00 0.00 C ATOM 420 CG2 VAL A 29 -6.658 -2.119 4.200 1.00 0.00 C ATOM 0 H VAL A 29 -5.108 -5.711 6.030 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.071 -4.329 3.474 1.00 0.00 H new ATOM 0 HB VAL A 29 -7.402 -4.101 3.991 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.215 -3.172 6.125 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.356 -4.715 6.346 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.549 -3.181 6.750 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.645 -1.667 4.300 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.945 -1.573 4.818 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -6.343 -2.075 3.157 1.00 0.00 H new ATOM 430 N VAL A 30 -3.542 -2.616 4.513 1.00 0.00 N ATOM 431 CA VAL A 30 -2.514 -1.777 5.099 1.00 0.00 C ATOM 432 C VAL A 30 -2.781 -0.317 4.751 1.00 0.00 C ATOM 433 O VAL A 30 -3.206 -0.010 3.637 1.00 0.00 O ATOM 434 CB VAL A 30 -1.100 -2.165 4.618 1.00 0.00 C ATOM 435 CG1 VAL A 30 -0.042 -1.602 5.557 1.00 0.00 C ATOM 436 CG2 VAL A 30 -0.964 -3.671 4.487 1.00 0.00 C ATOM 0 H VAL A 30 -3.659 -2.501 3.506 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.551 -1.923 6.179 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.945 -1.730 3.631 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.948 -1.886 5.201 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.120 -0.515 5.583 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.196 -2.001 6.560 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.042 -3.917 4.147 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.144 -4.138 5.455 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.692 -4.041 3.765 1.00 0.00 H new ATOM 446 N GLN A 31 -2.573 0.578 5.706 1.00 0.00 N ATOM 447 CA GLN A 31 -2.807 1.998 5.487 1.00 0.00 C ATOM 448 C GLN A 31 -1.487 2.768 5.417 1.00 0.00 C ATOM 449 O GLN A 31 -0.526 2.444 6.118 1.00 0.00 O ATOM 450 CB GLN A 31 -3.695 2.586 6.594 1.00 0.00 C ATOM 451 CG GLN A 31 -5.030 1.871 6.796 1.00 0.00 C ATOM 452 CD GLN A 31 -4.968 0.744 7.810 1.00 0.00 C ATOM 453 OE1 GLN A 31 -4.756 -0.470 7.339 1.00 0.00 O flip ATOM 454 NE2 GLN A 31 -5.142 0.966 9.004 1.00 0.00 N flip ATOM 0 H GLN A 31 -2.242 0.345 6.642 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.322 2.101 4.532 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.142 2.564 7.533 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -3.892 3.633 6.364 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.777 2.597 7.118 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.366 1.470 5.840 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.303 1.920 9.327 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.126 0.197 9.673 1.00 0.00 H new ATOM 463 N PHE A 32 -1.440 3.794 4.566 1.00 0.00 N ATOM 464 CA PHE A 32 -0.222 4.594 4.381 1.00 0.00 C ATOM 465 C PHE A 32 -0.554 6.076 4.234 1.00 0.00 C ATOM 466 O PHE A 32 -1.644 6.445 3.791 1.00 0.00 O ATOM 467 CB PHE A 32 0.540 4.145 3.128 1.00 0.00 C ATOM 468 CG PHE A 32 0.699 2.660 2.992 1.00 0.00 C ATOM 469 CD1 PHE A 32 -0.313 1.901 2.438 1.00 0.00 C ATOM 470 CD2 PHE A 32 1.860 2.024 3.407 1.00 0.00 C ATOM 471 CE1 PHE A 32 -0.179 0.546 2.302 1.00 0.00 C ATOM 472 CE2 PHE A 32 1.998 0.654 3.269 1.00 0.00 C ATOM 473 CZ PHE A 32 0.972 -0.083 2.714 1.00 0.00 C ATOM 0 H PHE A 32 -2.229 4.093 3.993 1.00 0.00 H new ATOM 0 HA PHE A 32 0.396 4.443 5.266 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.020 4.524 2.248 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.529 4.604 3.136 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.221 2.383 2.108 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.662 2.602 3.841 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.982 -0.032 1.869 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.904 0.164 3.594 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.073 -1.153 2.603 1.00 0.00 H new ATOM 509 N ILE A 34 0.950 9.249 2.316 1.00 0.00 N ATOM 510 CA ILE A 34 1.897 9.728 1.317 1.00 0.00 C ATOM 511 C ILE A 34 1.312 10.914 0.574 1.00 0.00 C ATOM 512 O ILE A 34 0.121 11.192 0.680 1.00 0.00 O ATOM 513 CB ILE A 34 2.254 8.621 0.280 1.00 0.00 C ATOM 514 CG1 ILE A 34 1.029 8.265 -0.572 1.00 0.00 C ATOM 515 CG2 ILE A 34 2.786 7.375 0.982 1.00 0.00 C ATOM 516 CD1 ILE A 34 1.334 7.319 -1.714 1.00 0.00 C ATOM 0 HA ILE A 34 2.805 10.018 1.846 1.00 0.00 H new ATOM 0 HB ILE A 34 3.034 9.010 -0.375 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.271 7.814 0.069 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.600 9.182 -0.976 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.029 6.615 0.240 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.683 7.630 1.547 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.027 6.988 1.662 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.420 7.114 -2.271 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.068 7.775 -2.378 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.734 6.386 -1.317 1.00 0.00 H new ATOM 528 N LYS A 35 2.134 11.628 -0.169 1.00 0.00 N ATOM 529 CA LYS A 35 1.640 12.735 -0.948 1.00 0.00 C ATOM 530 C LYS A 35 0.964 12.231 -2.198 1.00 0.00 C ATOM 531 O LYS A 35 1.305 11.171 -2.718 1.00 0.00 O ATOM 532 CB LYS A 35 2.755 13.730 -1.306 1.00 0.00 C ATOM 533 CG LYS A 35 3.193 14.615 -0.147 1.00 0.00 C ATOM 534 CD LYS A 35 4.020 13.857 0.869 1.00 0.00 C ATOM 535 CE LYS A 35 5.434 13.615 0.366 1.00 0.00 C ATOM 536 NZ LYS A 35 6.264 12.890 1.357 1.00 0.00 N ATOM 0 H LYS A 35 3.137 11.460 -0.247 1.00 0.00 H new ATOM 0 HA LYS A 35 0.913 13.269 -0.336 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.619 13.175 -1.672 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.413 14.364 -2.124 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.773 15.454 -0.532 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.313 15.033 0.342 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.056 14.418 1.803 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.542 12.902 1.089 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.395 13.043 -0.561 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.903 14.571 0.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.219 12.747 0.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.324 13.447 2.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.832 11.967 1.562 1.00 0.00 H new ATOM 550 N ARG A 36 0.010 12.989 -2.693 1.00 0.00 N ATOM 551 CA ARG A 36 -0.722 12.621 -3.897 1.00 0.00 C ATOM 552 C ARG A 36 0.177 12.677 -5.114 1.00 0.00 C ATOM 553 O ARG A 36 -0.142 12.140 -6.168 1.00 0.00 O ATOM 554 CB ARG A 36 -1.899 13.548 -4.103 1.00 0.00 C ATOM 555 CG ARG A 36 -1.538 15.005 -3.988 1.00 0.00 C ATOM 556 CD ARG A 36 -2.589 15.859 -4.613 1.00 0.00 C ATOM 557 NE ARG A 36 -2.277 17.277 -4.500 1.00 0.00 N ATOM 558 CZ ARG A 36 -3.076 18.258 -4.933 1.00 0.00 C ATOM 559 NH1 ARG A 36 -4.226 17.968 -5.536 1.00 0.00 N ATOM 560 NH2 ARG A 36 -2.724 19.526 -4.761 1.00 0.00 N ATOM 0 H ARG A 36 -0.283 13.874 -2.279 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.082 11.600 -3.769 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.329 13.364 -5.088 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.670 13.313 -3.369 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.420 15.274 -2.938 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.579 15.187 -4.473 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.694 15.593 -5.665 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.549 15.660 -4.137 1.00 0.00 H new ATOM 0 HE ARG A 36 -1.393 17.538 -4.063 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.501 16.995 -5.669 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.833 18.719 -5.865 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.844 19.753 -4.298 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.334 20.274 -5.091 1.00 0.00 H new ATOM 574 N HIS A 37 1.320 13.303 -4.961 1.00 0.00 N ATOM 575 CA HIS A 37 2.250 13.461 -6.049 1.00 0.00 C ATOM 576 C HIS A 37 3.438 12.538 -5.812 1.00 0.00 C ATOM 577 O HIS A 37 4.362 12.443 -6.610 1.00 0.00 O ATOM 578 CB HIS A 37 2.676 14.925 -6.119 1.00 0.00 C ATOM 579 CG HIS A 37 3.638 15.257 -7.221 1.00 0.00 C ATOM 580 ND1 HIS A 37 3.243 15.506 -8.516 1.00 0.00 N ATOM 581 CD2 HIS A 37 4.985 15.389 -7.213 1.00 0.00 C ATOM 582 CE1 HIS A 37 4.301 15.772 -9.251 1.00 0.00 C ATOM 583 NE2 HIS A 37 5.366 15.710 -8.484 1.00 0.00 N ATOM 0 H HIS A 37 1.629 13.715 -4.081 1.00 0.00 H new ATOM 0 HA HIS A 37 1.795 13.193 -7.002 1.00 0.00 H new ATOM 0 HB2 HIS A 37 1.785 15.541 -6.238 1.00 0.00 H new ATOM 0 HB3 HIS A 37 3.129 15.201 -5.167 1.00 0.00 H new ATOM 0 HD2 HIS A 37 5.636 15.264 -6.361 1.00 0.00 H new ATOM 0 HE1 HIS A 37 4.295 16.002 -10.306 1.00 0.00 H new ATOM 0 HE2 HIS A 37 6.325 15.875 -8.790 1.00 0.00 H new ATOM 592 N THR A 38 3.380 11.853 -4.701 1.00 0.00 N ATOM 593 CA THR A 38 4.379 10.909 -4.300 1.00 0.00 C ATOM 594 C THR A 38 4.069 9.539 -4.908 1.00 0.00 C ATOM 595 O THR A 38 2.910 9.136 -4.968 1.00 0.00 O ATOM 596 CB THR A 38 4.396 10.829 -2.756 1.00 0.00 C ATOM 597 OG1 THR A 38 5.220 11.864 -2.216 1.00 0.00 O ATOM 598 CG2 THR A 38 4.843 9.473 -2.239 1.00 0.00 C ATOM 0 H THR A 38 2.613 11.942 -4.034 1.00 0.00 H new ATOM 0 HA THR A 38 5.360 11.226 -4.654 1.00 0.00 H new ATOM 0 HB THR A 38 3.368 10.969 -2.421 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.032 11.470 -1.834 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.835 9.478 -1.149 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.163 8.703 -2.603 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.852 9.263 -2.593 1.00 0.00 H new ATOM 606 N PRO A 39 5.094 8.814 -5.385 1.00 0.00 N ATOM 607 CA PRO A 39 4.904 7.503 -6.004 1.00 0.00 C ATOM 608 C PRO A 39 4.261 6.495 -5.049 1.00 0.00 C ATOM 609 O PRO A 39 4.810 6.177 -3.990 1.00 0.00 O ATOM 610 CB PRO A 39 6.329 7.063 -6.376 1.00 0.00 C ATOM 611 CG PRO A 39 7.229 7.910 -5.547 1.00 0.00 C ATOM 612 CD PRO A 39 6.514 9.210 -5.352 1.00 0.00 C ATOM 0 HA PRO A 39 4.229 7.554 -6.858 1.00 0.00 H new ATOM 0 HB2 PRO A 39 6.481 6.004 -6.166 1.00 0.00 H new ATOM 0 HB3 PRO A 39 6.521 7.208 -7.439 1.00 0.00 H new ATOM 0 HG2 PRO A 39 7.439 7.434 -4.589 1.00 0.00 H new ATOM 0 HG3 PRO A 39 8.187 8.063 -6.044 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.780 9.679 -4.405 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.753 9.924 -6.140 1.00 0.00 H new ATOM 620 N LEU A 40 3.088 5.987 -5.422 1.00 0.00 N ATOM 621 CA LEU A 40 2.379 5.001 -4.601 1.00 0.00 C ATOM 622 C LEU A 40 3.138 3.687 -4.571 1.00 0.00 C ATOM 623 O LEU A 40 2.890 2.820 -3.734 1.00 0.00 O ATOM 624 CB LEU A 40 0.929 4.788 -5.073 1.00 0.00 C ATOM 625 CG LEU A 40 0.693 3.931 -6.326 1.00 0.00 C ATOM 626 CD1 LEU A 40 -0.789 3.822 -6.600 1.00 0.00 C ATOM 627 CD2 LEU A 40 1.415 4.482 -7.532 1.00 0.00 C ATOM 0 H LEU A 40 2.607 6.240 -6.285 1.00 0.00 H new ATOM 0 HA LEU A 40 2.329 5.398 -3.587 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.374 4.336 -4.251 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.490 5.769 -5.253 1.00 0.00 H new ATOM 0 HG LEU A 40 1.100 2.938 -6.134 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.951 3.213 -7.490 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.283 3.357 -5.747 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.203 4.817 -6.761 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.220 3.845 -8.395 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.060 5.492 -7.739 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.487 4.508 -7.334 1.00 0.00 H new ATOM 639 N SER A 41 4.054 3.538 -5.512 1.00 0.00 N ATOM 640 CA SER A 41 4.915 2.372 -5.608 1.00 0.00 C ATOM 641 C SER A 41 5.617 2.094 -4.284 1.00 0.00 C ATOM 642 O SER A 41 5.937 0.948 -3.966 1.00 0.00 O ATOM 643 CB SER A 41 5.943 2.593 -6.706 1.00 0.00 C ATOM 644 OG SER A 41 6.562 3.858 -6.566 1.00 0.00 O ATOM 0 H SER A 41 4.223 4.232 -6.240 1.00 0.00 H new ATOM 0 HA SER A 41 4.299 1.505 -5.849 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.698 1.807 -6.668 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.461 2.525 -7.681 1.00 0.00 H new ATOM 0 HG SER A 41 7.221 3.981 -7.281 1.00 0.00 H new ATOM 650 N LYS A 42 5.848 3.152 -3.507 1.00 0.00 N ATOM 651 CA LYS A 42 6.481 3.028 -2.210 1.00 0.00 C ATOM 652 C LYS A 42 5.612 2.173 -1.292 1.00 0.00 C ATOM 653 O LYS A 42 6.092 1.247 -0.647 1.00 0.00 O ATOM 654 CB LYS A 42 6.702 4.410 -1.587 1.00 0.00 C ATOM 655 CG LYS A 42 7.449 5.387 -2.492 1.00 0.00 C ATOM 656 CD LYS A 42 7.634 6.744 -1.822 1.00 0.00 C ATOM 657 CE LYS A 42 8.683 6.685 -0.729 1.00 0.00 C ATOM 658 NZ LYS A 42 8.816 7.976 -0.012 1.00 0.00 N ATOM 0 H LYS A 42 5.601 4.108 -3.763 1.00 0.00 H new ATOM 0 HA LYS A 42 7.451 2.547 -2.337 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.734 4.839 -1.327 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.259 4.293 -0.657 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.423 4.972 -2.750 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.899 5.513 -3.425 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.926 7.483 -2.568 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.685 7.075 -1.400 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.421 5.901 -0.018 1.00 0.00 H new ATOM 0 HE3 LYS A 42 9.644 6.412 -1.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.544 7.890 0.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.091 8.720 -0.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.906 8.225 0.426 1.00 0.00 H new ATOM 672 N LEU A 43 4.312 2.466 -1.261 1.00 0.00 N ATOM 673 CA LEU A 43 3.394 1.712 -0.425 1.00 0.00 C ATOM 674 C LEU A 43 3.159 0.331 -1.014 1.00 0.00 C ATOM 675 O LEU A 43 3.046 -0.653 -0.288 1.00 0.00 O ATOM 676 CB LEU A 43 2.053 2.472 -0.217 1.00 0.00 C ATOM 677 CG LEU A 43 1.005 2.403 -1.349 1.00 0.00 C ATOM 678 CD1 LEU A 43 0.167 1.128 -1.255 1.00 0.00 C ATOM 679 CD2 LEU A 43 0.102 3.616 -1.311 1.00 0.00 C ATOM 0 H LEU A 43 3.879 3.214 -1.802 1.00 0.00 H new ATOM 0 HA LEU A 43 3.850 1.595 0.558 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.589 2.091 0.693 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.287 3.522 -0.040 1.00 0.00 H new ATOM 0 HG LEU A 43 1.544 2.389 -2.296 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.561 1.110 -2.066 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.819 0.258 -1.333 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.355 1.105 -0.298 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.630 3.550 -2.116 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.415 3.655 -0.352 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.700 4.519 -1.437 1.00 0.00 H new ATOM 691 N MET A 44 3.089 0.253 -2.347 1.00 0.00 N ATOM 692 CA MET A 44 2.868 -1.021 -3.011 1.00 0.00 C ATOM 693 C MET A 44 3.997 -2.005 -2.716 1.00 0.00 C ATOM 694 O MET A 44 3.755 -3.181 -2.432 1.00 0.00 O ATOM 695 CB MET A 44 2.682 -0.838 -4.522 1.00 0.00 C ATOM 696 CG MET A 44 1.488 0.034 -4.889 1.00 0.00 C ATOM 697 SD MET A 44 1.009 -0.121 -6.622 1.00 0.00 S ATOM 698 CE MET A 44 2.500 0.407 -7.451 1.00 0.00 C ATOM 0 H MET A 44 3.182 1.051 -2.975 1.00 0.00 H new ATOM 0 HA MET A 44 1.946 -1.441 -2.610 1.00 0.00 H new ATOM 0 HB2 MET A 44 3.586 -0.396 -4.940 1.00 0.00 H new ATOM 0 HB3 MET A 44 2.562 -1.817 -4.986 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.641 -0.235 -4.258 1.00 0.00 H new ATOM 0 HG3 MET A 44 1.726 1.076 -4.675 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.383 0.279 -8.527 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.687 1.458 -7.229 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.341 -0.193 -7.104 1.00 0.00 H new ATOM 708 N LYS A 45 5.240 -1.533 -2.772 1.00 0.00 N ATOM 709 CA LYS A 45 6.375 -2.386 -2.455 1.00 0.00 C ATOM 710 C LYS A 45 6.404 -2.713 -0.977 1.00 0.00 C ATOM 711 O LYS A 45 6.698 -3.839 -0.589 1.00 0.00 O ATOM 712 CB LYS A 45 7.691 -1.749 -2.884 1.00 0.00 C ATOM 713 CG LYS A 45 7.889 -1.749 -4.381 1.00 0.00 C ATOM 714 CD LYS A 45 9.359 -1.669 -4.745 1.00 0.00 C ATOM 715 CE LYS A 45 9.569 -1.963 -6.217 1.00 0.00 C ATOM 716 NZ LYS A 45 8.985 -0.909 -7.081 1.00 0.00 N ATOM 0 H LYS A 45 5.482 -0.577 -3.031 1.00 0.00 H new ATOM 0 HA LYS A 45 6.254 -3.313 -3.016 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.727 -0.723 -2.519 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.517 -2.284 -2.414 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.456 -2.654 -4.807 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.358 -0.905 -4.820 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.742 -0.676 -4.510 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.926 -2.380 -4.144 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.636 -2.049 -6.421 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.119 -2.925 -6.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.276 -1.332 -7.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.532 -0.185 -6.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.737 -0.470 -7.649 1.00 0.00 H new ATOM 730 N ALA A 46 6.044 -1.738 -0.151 1.00 0.00 N ATOM 731 CA ALA A 46 6.035 -1.918 1.287 1.00 0.00 C ATOM 732 C ALA A 46 5.016 -2.970 1.666 1.00 0.00 C ATOM 733 O ALA A 46 5.219 -3.745 2.598 1.00 0.00 O ATOM 734 CB ALA A 46 5.726 -0.608 1.993 1.00 0.00 C ATOM 0 H ALA A 46 5.753 -0.810 -0.460 1.00 0.00 H new ATOM 0 HA ALA A 46 7.025 -2.248 1.602 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.725 -0.767 3.071 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.485 0.131 1.736 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.747 -0.247 1.678 1.00 0.00 H new ATOM 740 N TYR A 47 3.912 -2.994 0.930 1.00 0.00 N ATOM 741 CA TYR A 47 2.858 -3.960 1.141 1.00 0.00 C ATOM 742 C TYR A 47 3.375 -5.374 0.918 1.00 0.00 C ATOM 743 O TYR A 47 3.265 -6.229 1.788 1.00 0.00 O ATOM 744 CB TYR A 47 1.687 -3.677 0.196 1.00 0.00 C ATOM 745 CG TYR A 47 0.585 -4.705 0.268 1.00 0.00 C ATOM 746 CD1 TYR A 47 -0.436 -4.580 1.185 1.00 0.00 C ATOM 747 CD2 TYR A 47 0.575 -5.803 -0.583 1.00 0.00 C ATOM 748 CE1 TYR A 47 -1.445 -5.513 1.265 1.00 0.00 C ATOM 749 CE2 TYR A 47 -0.428 -6.746 -0.519 1.00 0.00 C ATOM 750 CZ TYR A 47 -1.441 -6.598 0.407 1.00 0.00 C ATOM 751 OH TYR A 47 -2.445 -7.541 0.483 1.00 0.00 O ATOM 0 H TYR A 47 3.728 -2.339 0.170 1.00 0.00 H new ATOM 0 HA TYR A 47 2.513 -3.874 2.172 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.272 -2.696 0.430 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.061 -3.630 -0.827 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.445 -3.733 1.855 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.367 -5.920 -1.308 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.235 -5.399 1.993 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.422 -7.594 -1.188 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.293 -8.236 -0.191 1.00 0.00 H new ATOM 761 N CYS A 48 3.954 -5.612 -0.248 1.00 0.00 N ATOM 762 CA CYS A 48 4.474 -6.922 -0.598 1.00 0.00 C ATOM 763 C CYS A 48 5.536 -7.363 0.412 1.00 0.00 C ATOM 764 O CYS A 48 5.587 -8.521 0.811 1.00 0.00 O ATOM 765 CB CYS A 48 5.058 -6.899 -2.017 1.00 0.00 C ATOM 766 SG CYS A 48 3.984 -6.128 -3.245 1.00 0.00 S ATOM 0 H CYS A 48 4.076 -4.906 -0.974 1.00 0.00 H new ATOM 0 HA CYS A 48 3.655 -7.641 -0.571 1.00 0.00 H new ATOM 0 HB2 CYS A 48 6.010 -6.368 -1.998 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.270 -7.922 -2.327 1.00 0.00 H new ATOM 0 HG CYS A 48 3.956 -4.843 -3.051 1.00 0.00 H new ATOM 772 N GLU A 49 6.362 -6.421 0.844 1.00 0.00 N ATOM 773 CA GLU A 49 7.409 -6.701 1.819 1.00 0.00 C ATOM 774 C GLU A 49 6.829 -7.176 3.152 1.00 0.00 C ATOM 775 O GLU A 49 7.259 -8.186 3.709 1.00 0.00 O ATOM 776 CB GLU A 49 8.244 -5.455 2.069 1.00 0.00 C ATOM 777 CG GLU A 49 9.059 -4.990 0.892 1.00 0.00 C ATOM 778 CD GLU A 49 9.887 -3.790 1.248 1.00 0.00 C ATOM 779 OE1 GLU A 49 9.339 -2.842 1.854 1.00 0.00 O ATOM 780 OE2 GLU A 49 11.102 -3.800 0.976 1.00 0.00 O ATOM 0 H GLU A 49 6.328 -5.450 0.533 1.00 0.00 H new ATOM 0 HA GLU A 49 8.030 -7.495 1.403 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.580 -4.646 2.375 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.917 -5.648 2.904 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.709 -5.797 0.554 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.397 -4.745 0.061 1.00 0.00 H new ATOM 787 N ARG A 50 5.852 -6.443 3.664 1.00 0.00 N ATOM 788 CA ARG A 50 5.265 -6.743 4.968 1.00 0.00 C ATOM 789 C ARG A 50 4.343 -7.954 4.916 1.00 0.00 C ATOM 790 O ARG A 50 4.285 -8.741 5.852 1.00 0.00 O ATOM 791 CB ARG A 50 4.517 -5.516 5.509 1.00 0.00 C ATOM 792 CG ARG A 50 3.379 -5.033 4.618 1.00 0.00 C ATOM 793 CD ARG A 50 2.952 -3.629 4.986 1.00 0.00 C ATOM 794 NE ARG A 50 4.106 -2.727 5.076 1.00 0.00 N ATOM 795 CZ ARG A 50 4.334 -1.878 6.084 1.00 0.00 C ATOM 796 NH1 ARG A 50 3.478 -1.797 7.107 1.00 0.00 N ATOM 797 NH2 ARG A 50 5.430 -1.120 6.074 1.00 0.00 N ATOM 0 H ARG A 50 5.445 -5.633 3.197 1.00 0.00 H new ATOM 0 HA ARG A 50 6.081 -6.990 5.647 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.116 -5.755 6.494 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.229 -4.701 5.644 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.695 -5.058 3.575 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.530 -5.710 4.710 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.251 -3.253 4.241 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.425 -3.645 5.940 1.00 0.00 H new ATOM 0 HE ARG A 50 4.784 -2.749 4.314 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.645 -2.385 7.122 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.658 -1.147 7.872 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.091 -1.189 5.300 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.608 -0.471 6.840 1.00 0.00 H new ATOM 811 N GLN A 51 3.618 -8.100 3.823 1.00 0.00 N ATOM 812 CA GLN A 51 2.682 -9.201 3.668 1.00 0.00 C ATOM 813 C GLN A 51 3.370 -10.494 3.315 1.00 0.00 C ATOM 814 O GLN A 51 2.821 -11.573 3.511 1.00 0.00 O ATOM 815 CB GLN A 51 1.651 -8.860 2.613 1.00 0.00 C ATOM 816 CG GLN A 51 0.761 -7.721 3.009 1.00 0.00 C ATOM 817 CD GLN A 51 -0.105 -8.048 4.217 1.00 0.00 C ATOM 818 OE1 GLN A 51 -1.231 -8.526 4.078 1.00 0.00 O ATOM 819 NE2 GLN A 51 0.420 -7.813 5.404 1.00 0.00 N ATOM 0 H GLN A 51 3.659 -7.467 3.024 1.00 0.00 H new ATOM 0 HA GLN A 51 2.192 -9.346 4.631 1.00 0.00 H new ATOM 0 HB2 GLN A 51 2.161 -8.609 1.683 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.039 -9.740 2.414 1.00 0.00 H new ATOM 0 HG2 GLN A 51 1.373 -6.847 3.231 1.00 0.00 H new ATOM 0 HG3 GLN A 51 0.120 -7.456 2.168 1.00 0.00 H new ATOM 0 HE21 GLN A 51 1.357 -7.416 5.478 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -0.111 -8.028 6.248 1.00 0.00 H new ATOM 828 N GLY A 52 4.561 -10.401 2.788 1.00 0.00 N ATOM 829 CA GLY A 52 5.262 -11.585 2.396 1.00 0.00 C ATOM 830 C GLY A 52 4.891 -12.002 0.994 1.00 0.00 C ATOM 831 O GLY A 52 4.705 -13.182 0.707 1.00 0.00 O ATOM 0 H GLY A 52 5.059 -9.526 2.623 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.336 -11.410 2.454 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.033 -12.393 3.091 1.00 0.00 H new ATOM 835 N LEU A 53 4.786 -11.022 0.115 1.00 0.00 N ATOM 836 CA LEU A 53 4.451 -11.259 -1.275 1.00 0.00 C ATOM 837 C LEU A 53 5.480 -10.588 -2.168 1.00 0.00 C ATOM 838 O LEU A 53 6.324 -9.828 -1.697 1.00 0.00 O ATOM 839 CB LEU A 53 3.057 -10.722 -1.616 1.00 0.00 C ATOM 840 CG LEU A 53 1.856 -11.538 -1.126 1.00 0.00 C ATOM 841 CD1 LEU A 53 1.970 -13.001 -1.534 1.00 0.00 C ATOM 842 CD2 LEU A 53 1.660 -11.403 0.366 1.00 0.00 C ATOM 0 H LEU A 53 4.931 -10.039 0.346 1.00 0.00 H new ATOM 0 HA LEU A 53 4.452 -12.336 -1.442 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.972 -9.716 -1.206 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.985 -10.631 -2.700 1.00 0.00 H new ATOM 0 HG LEU A 53 0.971 -11.127 -1.612 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.101 -13.549 -1.170 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.015 -13.073 -2.621 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.876 -13.429 -1.104 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.799 -11.996 0.675 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.551 -11.759 0.884 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.489 -10.356 0.617 1.00 0.00 H new ATOM 854 N SER A 54 5.428 -10.871 -3.447 1.00 0.00 N ATOM 855 CA SER A 54 6.329 -10.252 -4.395 1.00 0.00 C ATOM 856 C SER A 54 5.546 -9.572 -5.508 1.00 0.00 C ATOM 857 O SER A 54 4.397 -9.924 -5.770 1.00 0.00 O ATOM 858 CB SER A 54 7.277 -11.295 -4.969 1.00 0.00 C ATOM 859 OG SER A 54 8.211 -11.729 -3.993 1.00 0.00 O ATOM 0 H SER A 54 4.768 -11.530 -3.860 1.00 0.00 H new ATOM 0 HA SER A 54 6.915 -9.493 -3.878 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.706 -12.148 -5.335 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.808 -10.877 -5.824 1.00 0.00 H new ATOM 0 HG SER A 54 8.807 -12.400 -4.386 1.00 0.00 H new ATOM 865 N MET A 55 6.169 -8.604 -6.171 1.00 0.00 N ATOM 866 CA MET A 55 5.526 -7.863 -7.261 1.00 0.00 C ATOM 867 C MET A 55 5.125 -8.782 -8.411 1.00 0.00 C ATOM 868 O MET A 55 4.188 -8.510 -9.143 1.00 0.00 O ATOM 869 CB MET A 55 6.450 -6.762 -7.776 1.00 0.00 C ATOM 870 CG MET A 55 6.393 -5.509 -6.945 1.00 0.00 C ATOM 871 SD MET A 55 4.787 -4.711 -7.057 1.00 0.00 S ATOM 872 CE MET A 55 4.862 -3.633 -5.651 1.00 0.00 C ATOM 0 H MET A 55 7.125 -8.309 -5.974 1.00 0.00 H new ATOM 0 HA MET A 55 4.619 -7.414 -6.857 1.00 0.00 H new ATOM 0 HB2 MET A 55 7.475 -7.134 -7.793 1.00 0.00 H new ATOM 0 HB3 MET A 55 6.181 -6.522 -8.805 1.00 0.00 H new ATOM 0 HG2 MET A 55 6.607 -5.752 -5.904 1.00 0.00 H new ATOM 0 HG3 MET A 55 7.167 -4.817 -7.276 1.00 0.00 H new ATOM 0 HE1 MET A 55 3.899 -3.633 -5.140 1.00 0.00 H new ATOM 0 HE2 MET A 55 5.636 -3.981 -4.967 1.00 0.00 H new ATOM 0 HE3 MET A 55 5.098 -2.621 -5.981 1.00 0.00 H new ATOM 882 N ARG A 56 5.860 -9.860 -8.578 1.00 0.00 N ATOM 883 CA ARG A 56 5.565 -10.831 -9.621 1.00 0.00 C ATOM 884 C ARG A 56 4.523 -11.841 -9.138 1.00 0.00 C ATOM 885 O ARG A 56 3.912 -12.557 -9.927 1.00 0.00 O ATOM 886 CB ARG A 56 6.843 -11.553 -10.105 1.00 0.00 C ATOM 887 CG ARG A 56 7.707 -12.160 -9.000 1.00 0.00 C ATOM 888 CD ARG A 56 8.762 -11.177 -8.491 1.00 0.00 C ATOM 889 NE ARG A 56 9.670 -10.752 -9.553 1.00 0.00 N ATOM 890 CZ ARG A 56 10.419 -9.645 -9.516 1.00 0.00 C ATOM 891 NH1 ARG A 56 10.387 -8.847 -8.454 1.00 0.00 N ATOM 892 NH2 ARG A 56 11.206 -9.345 -10.534 1.00 0.00 N ATOM 0 H ARG A 56 6.671 -10.091 -8.004 1.00 0.00 H new ATOM 0 HA ARG A 56 5.153 -10.287 -10.471 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.554 -12.346 -10.795 1.00 0.00 H new ATOM 0 HB3 ARG A 56 7.449 -10.845 -10.670 1.00 0.00 H new ATOM 0 HG2 ARG A 56 7.070 -12.470 -8.171 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.199 -13.057 -9.376 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.268 -10.304 -8.065 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.335 -11.643 -7.689 1.00 0.00 H new ATOM 0 HE ARG A 56 9.738 -11.342 -10.382 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.789 -9.077 -7.661 1.00 0.00 H new ATOM 0 HH12 ARG A 56 10.961 -8.004 -8.432 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.242 -9.958 -11.348 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.777 -8.500 -10.505 1.00 0.00 H new ATOM 906 N GLN A 57 4.326 -11.884 -7.828 1.00 0.00 N ATOM 907 CA GLN A 57 3.401 -12.819 -7.199 1.00 0.00 C ATOM 908 C GLN A 57 2.007 -12.228 -7.063 1.00 0.00 C ATOM 909 O GLN A 57 1.016 -12.950 -6.984 1.00 0.00 O ATOM 910 CB GLN A 57 3.930 -13.224 -5.819 1.00 0.00 C ATOM 911 CG GLN A 57 4.769 -14.490 -5.813 1.00 0.00 C ATOM 912 CD GLN A 57 5.992 -14.400 -6.696 1.00 0.00 C ATOM 913 OE1 GLN A 57 7.061 -13.995 -6.254 1.00 0.00 O ATOM 914 NE2 GLN A 57 5.842 -14.754 -7.952 1.00 0.00 N ATOM 0 H GLN A 57 4.804 -11.270 -7.169 1.00 0.00 H new ATOM 0 HA GLN A 57 3.329 -13.698 -7.840 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.528 -12.405 -5.418 1.00 0.00 H new ATOM 0 HB3 GLN A 57 3.084 -13.361 -5.145 1.00 0.00 H new ATOM 0 HG2 GLN A 57 5.082 -14.705 -4.791 1.00 0.00 H new ATOM 0 HG3 GLN A 57 4.153 -15.327 -6.141 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.936 -15.086 -8.284 1.00 0.00 H new ATOM 0 HE22 GLN A 57 6.631 -14.697 -8.596 1.00 0.00 H new ATOM 923 N ILE A 58 1.924 -10.920 -7.018 1.00 0.00 N ATOM 924 CA ILE A 58 0.641 -10.251 -6.866 1.00 0.00 C ATOM 925 C ILE A 58 0.528 -9.090 -7.819 1.00 0.00 C ATOM 926 O ILE A 58 1.457 -8.785 -8.549 1.00 0.00 O ATOM 927 CB ILE A 58 0.418 -9.732 -5.420 1.00 0.00 C ATOM 928 CG1 ILE A 58 1.340 -8.541 -5.126 1.00 0.00 C ATOM 929 CG2 ILE A 58 0.645 -10.848 -4.416 1.00 0.00 C ATOM 930 CD1 ILE A 58 1.261 -8.038 -3.702 1.00 0.00 C ATOM 0 H ILE A 58 2.725 -10.292 -7.084 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.124 -10.995 -7.090 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.614 -9.393 -5.329 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.369 -8.829 -5.342 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.089 -7.725 -5.803 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.485 -10.468 -3.407 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.053 -11.662 -4.612 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.667 -11.217 -4.507 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.942 -7.196 -3.575 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.242 -7.716 -3.486 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.542 -8.838 -3.017 1.00 0.00 H new ATOM 942 N ARG A 59 -0.613 -8.435 -7.798 1.00 0.00 N ATOM 943 CA ARG A 59 -0.853 -7.285 -8.642 1.00 0.00 C ATOM 944 C ARG A 59 -1.817 -6.333 -7.996 1.00 0.00 C ATOM 945 O ARG A 59 -2.801 -6.742 -7.365 1.00 0.00 O ATOM 946 CB ARG A 59 -1.355 -7.684 -10.030 1.00 0.00 C ATOM 947 CG ARG A 59 -0.264 -8.159 -10.970 1.00 0.00 C ATOM 948 CD ARG A 59 0.778 -7.078 -11.196 1.00 0.00 C ATOM 949 NE ARG A 59 1.861 -7.547 -12.063 1.00 0.00 N ATOM 950 CZ ARG A 59 2.537 -6.778 -12.914 1.00 0.00 C ATOM 951 NH1 ARG A 59 2.213 -5.499 -13.059 1.00 0.00 N ATOM 952 NH2 ARG A 59 3.528 -7.294 -13.632 1.00 0.00 N ATOM 0 H ARG A 59 -1.398 -8.684 -7.197 1.00 0.00 H new ATOM 0 HA ARG A 59 0.106 -6.782 -8.768 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.097 -8.475 -9.923 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.862 -6.831 -10.481 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.214 -9.047 -10.557 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.704 -8.449 -11.924 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.305 -6.204 -11.644 1.00 0.00 H new ATOM 0 HD3 ARG A 59 1.189 -6.762 -10.237 1.00 0.00 H new ATOM 0 HE ARG A 59 2.116 -8.533 -12.011 1.00 0.00 H new ATOM 0 HH11 ARG A 59 1.444 -5.103 -12.518 1.00 0.00 H new ATOM 0 HH12 ARG A 59 2.733 -4.912 -13.712 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.771 -8.279 -13.531 1.00 0.00 H new ATOM 0 HH22 ARG A 59 4.046 -6.705 -14.284 1.00 0.00 H new ATOM 966 N PHE A 60 -1.522 -5.061 -8.139 1.00 0.00 N ATOM 967 CA PHE A 60 -2.339 -4.005 -7.604 1.00 0.00 C ATOM 968 C PHE A 60 -3.246 -3.460 -8.691 1.00 0.00 C ATOM 969 O PHE A 60 -2.843 -3.327 -9.850 1.00 0.00 O ATOM 970 CB PHE A 60 -1.454 -2.884 -7.053 1.00 0.00 C ATOM 971 CG PHE A 60 -0.620 -3.287 -5.867 1.00 0.00 C ATOM 972 CD1 PHE A 60 0.485 -4.110 -6.027 1.00 0.00 C ATOM 973 CD2 PHE A 60 -0.938 -2.840 -4.597 1.00 0.00 C ATOM 974 CE1 PHE A 60 1.250 -4.480 -4.944 1.00 0.00 C ATOM 975 CE2 PHE A 60 -0.174 -3.208 -3.508 1.00 0.00 C ATOM 976 CZ PHE A 60 0.921 -4.030 -3.682 1.00 0.00 C ATOM 0 H PHE A 60 -0.696 -4.730 -8.638 1.00 0.00 H new ATOM 0 HA PHE A 60 -2.949 -4.403 -6.793 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -0.793 -2.534 -7.846 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -2.086 -2.042 -6.770 1.00 0.00 H new ATOM 0 HD1 PHE A 60 0.748 -4.465 -7.013 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.793 -2.196 -4.456 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.107 -5.122 -5.082 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.433 -2.853 -2.521 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.520 -4.321 -2.831 1.00 0.00 H new ATOM 986 N ARG A 61 -4.460 -3.148 -8.329 1.00 0.00 N ATOM 987 CA ARG A 61 -5.422 -2.627 -9.264 1.00 0.00 C ATOM 988 C ARG A 61 -6.302 -1.585 -8.610 1.00 0.00 C ATOM 989 O ARG A 61 -6.620 -1.671 -7.423 1.00 0.00 O ATOM 990 CB ARG A 61 -6.269 -3.751 -9.853 1.00 0.00 C ATOM 991 CG ARG A 61 -7.400 -3.257 -10.726 1.00 0.00 C ATOM 992 CD ARG A 61 -8.737 -3.557 -10.105 1.00 0.00 C ATOM 993 NE ARG A 61 -9.124 -4.930 -10.349 1.00 0.00 N ATOM 994 CZ ARG A 61 -10.070 -5.588 -9.688 1.00 0.00 C ATOM 995 NH1 ARG A 61 -10.776 -4.978 -8.735 1.00 0.00 N ATOM 996 NH2 ARG A 61 -10.314 -6.862 -9.988 1.00 0.00 N ATOM 0 H ARG A 61 -4.812 -3.247 -7.377 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.875 -2.149 -10.076 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.628 -4.409 -10.440 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.682 -4.349 -9.040 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.301 -2.183 -10.881 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.338 -3.728 -11.707 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.693 -3.373 -9.032 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -9.491 -2.884 -10.513 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.631 -5.432 -11.087 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.591 -4.000 -8.510 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.501 -5.489 -8.231 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.776 -7.325 -10.720 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.039 -7.375 -9.485 1.00 0.00 H new ATOM 1010 N PHE A 62 -6.683 -0.593 -9.382 1.00 0.00 N ATOM 1011 CA PHE A 62 -7.534 0.460 -8.915 1.00 0.00 C ATOM 1012 C PHE A 62 -8.341 1.002 -10.059 1.00 0.00 C ATOM 1013 O PHE A 62 -7.888 0.995 -11.183 1.00 0.00 O ATOM 1014 CB PHE A 62 -6.720 1.564 -8.282 1.00 0.00 C ATOM 1015 CG PHE A 62 -7.537 2.706 -7.781 1.00 0.00 C ATOM 1016 CD1 PHE A 62 -8.297 2.562 -6.656 1.00 0.00 C ATOM 1017 CD2 PHE A 62 -7.533 3.927 -8.433 1.00 0.00 C ATOM 1018 CE1 PHE A 62 -9.037 3.610 -6.174 1.00 0.00 C ATOM 1019 CE2 PHE A 62 -8.277 4.986 -7.957 1.00 0.00 C ATOM 1020 CZ PHE A 62 -9.028 4.827 -6.817 1.00 0.00 C ATOM 0 H PHE A 62 -6.405 -0.500 -10.359 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.207 0.057 -8.159 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.146 1.149 -7.453 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.002 1.937 -9.012 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -8.315 1.613 -6.141 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.939 4.052 -9.326 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -9.632 3.480 -5.282 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.270 5.933 -8.476 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.607 5.651 -6.428 1.00 0.00 H new ATOM 1030 N ASP A 63 -9.544 1.465 -9.767 1.00 0.00 N ATOM 1031 CA ASP A 63 -10.467 1.990 -10.790 1.00 0.00 C ATOM 1032 C ASP A 63 -10.751 0.924 -11.834 1.00 0.00 C ATOM 1033 O ASP A 63 -11.171 1.210 -12.952 1.00 0.00 O ATOM 1034 CB ASP A 63 -9.827 3.198 -11.471 1.00 0.00 C ATOM 1035 CG ASP A 63 -10.813 4.066 -12.231 1.00 0.00 C ATOM 1036 OD1 ASP A 63 -11.718 4.646 -11.592 1.00 0.00 O ATOM 1037 OD2 ASP A 63 -10.668 4.200 -13.465 1.00 0.00 O ATOM 0 H ASP A 63 -9.919 1.493 -8.819 1.00 0.00 H new ATOM 0 HA ASP A 63 -11.402 2.281 -10.311 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.328 3.806 -10.717 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -9.058 2.850 -12.160 1.00 0.00 H new ATOM 1042 N GLY A 64 -10.549 -0.314 -11.454 1.00 0.00 N ATOM 1043 CA GLY A 64 -10.750 -1.403 -12.358 1.00 0.00 C ATOM 1044 C GLY A 64 -9.587 -1.586 -13.324 1.00 0.00 C ATOM 1045 O GLY A 64 -9.635 -2.436 -14.208 1.00 0.00 O ATOM 0 H GLY A 64 -10.244 -0.586 -10.519 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.892 -2.321 -11.788 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.665 -1.235 -12.925 1.00 0.00 H new ATOM 1049 N GLN A 65 -8.525 -0.801 -13.155 1.00 0.00 N ATOM 1050 CA GLN A 65 -7.368 -0.888 -14.015 1.00 0.00 C ATOM 1051 C GLN A 65 -6.116 -1.206 -13.185 1.00 0.00 C ATOM 1052 O GLN A 65 -5.983 -0.754 -12.049 1.00 0.00 O ATOM 1053 CB GLN A 65 -7.175 0.424 -14.788 1.00 0.00 C ATOM 1054 CG GLN A 65 -7.037 1.638 -13.893 1.00 0.00 C ATOM 1055 CD GLN A 65 -6.772 2.920 -14.644 1.00 0.00 C ATOM 1056 OE1 GLN A 65 -7.210 3.100 -15.781 1.00 0.00 O ATOM 1057 NE2 GLN A 65 -6.039 3.813 -14.009 1.00 0.00 N ATOM 0 H GLN A 65 -8.451 -0.096 -12.422 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.527 -1.692 -14.733 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -6.286 0.341 -15.413 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.023 0.570 -15.457 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.950 1.752 -13.308 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.225 1.467 -13.187 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.699 3.617 -13.067 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -5.812 4.700 -14.459 1.00 0.00 H new ATOM 1066 N PRO A 66 -5.207 -2.007 -13.732 1.00 0.00 N ATOM 1067 CA PRO A 66 -3.959 -2.380 -13.050 1.00 0.00 C ATOM 1068 C PRO A 66 -3.079 -1.164 -12.755 1.00 0.00 C ATOM 1069 O PRO A 66 -2.975 -0.242 -13.568 1.00 0.00 O ATOM 1070 CB PRO A 66 -3.252 -3.303 -14.050 1.00 0.00 C ATOM 1071 CG PRO A 66 -4.300 -3.712 -15.025 1.00 0.00 C ATOM 1072 CD PRO A 66 -5.316 -2.608 -15.055 1.00 0.00 C ATOM 0 HA PRO A 66 -4.155 -2.847 -12.085 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -2.432 -2.786 -14.549 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.823 -4.170 -13.548 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.869 -3.868 -16.014 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.760 -4.654 -14.726 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -5.100 -1.886 -15.843 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.319 -2.991 -15.240 1.00 0.00 H new ATOM 1080 N ILE A 67 -2.446 -1.159 -11.597 1.00 0.00 N ATOM 1081 CA ILE A 67 -1.583 -0.057 -11.203 1.00 0.00 C ATOM 1082 C ILE A 67 -0.134 -0.389 -11.517 1.00 0.00 C ATOM 1083 O ILE A 67 0.278 -1.548 -11.448 1.00 0.00 O ATOM 1084 CB ILE A 67 -1.694 0.230 -9.685 1.00 0.00 C ATOM 1085 CG1 ILE A 67 -3.154 0.386 -9.262 1.00 0.00 C ATOM 1086 CG2 ILE A 67 -0.904 1.477 -9.314 1.00 0.00 C ATOM 1087 CD1 ILE A 67 -3.325 0.630 -7.778 1.00 0.00 C ATOM 0 H ILE A 67 -2.513 -1.909 -10.909 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.904 0.822 -11.762 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.272 -0.622 -9.153 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.598 1.215 -9.813 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.704 -0.513 -9.541 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.995 1.661 -8.243 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.146 1.332 -9.569 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.296 2.333 -9.864 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.385 0.732 -7.546 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.910 -0.210 -7.221 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.803 1.545 -7.497 1.00 0.00 H new ATOM 1099 N ASN A 68 0.645 0.614 -11.865 1.00 0.00 N ATOM 1100 CA ASN A 68 2.055 0.423 -12.115 1.00 0.00 C ATOM 1101 C ASN A 68 2.818 1.175 -11.065 1.00 0.00 C ATOM 1102 O ASN A 68 2.271 2.063 -10.411 1.00 0.00 O ATOM 1103 CB ASN A 68 2.476 0.952 -13.487 1.00 0.00 C ATOM 1104 CG ASN A 68 1.385 0.931 -14.513 1.00 0.00 C ATOM 1105 OD1 ASN A 68 1.172 -0.069 -15.195 1.00 0.00 O ATOM 1106 ND2 ASN A 68 0.714 2.042 -14.656 1.00 0.00 N ATOM 0 H ASN A 68 0.321 1.574 -11.981 1.00 0.00 H new ATOM 0 HA ASN A 68 2.265 -0.646 -12.089 1.00 0.00 H new ATOM 0 HB2 ASN A 68 2.835 1.975 -13.375 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.314 0.358 -13.852 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -0.023 2.106 -15.358 1.00 0.00 H new ATOM 0 HD22 ASN A 68 0.927 2.846 -14.066 1.00 0.00 H new ATOM 1113 N GLU A 69 4.076 0.865 -10.902 1.00 0.00 N ATOM 1114 CA GLU A 69 4.872 1.564 -9.925 1.00 0.00 C ATOM 1115 C GLU A 69 5.310 2.916 -10.461 1.00 0.00 C ATOM 1116 O GLU A 69 5.815 3.761 -9.724 1.00 0.00 O ATOM 1117 CB GLU A 69 6.073 0.722 -9.482 1.00 0.00 C ATOM 1118 CG GLU A 69 6.903 0.153 -10.616 1.00 0.00 C ATOM 1119 CD GLU A 69 8.156 -0.528 -10.118 1.00 0.00 C ATOM 1120 OE1 GLU A 69 8.045 -1.566 -9.435 1.00 0.00 O ATOM 1121 OE2 GLU A 69 9.256 -0.014 -10.375 1.00 0.00 O ATOM 0 H GLU A 69 4.569 0.142 -11.426 1.00 0.00 H new ATOM 0 HA GLU A 69 4.254 1.736 -9.044 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.717 1.336 -8.852 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.714 -0.101 -8.865 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.303 -0.561 -11.181 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.175 0.954 -11.303 1.00 0.00 H new ATOM 1128 N THR A 70 5.108 3.122 -11.748 1.00 0.00 N ATOM 1129 CA THR A 70 5.468 4.359 -12.392 1.00 0.00 C ATOM 1130 C THR A 70 4.377 5.406 -12.248 1.00 0.00 C ATOM 1131 O THR A 70 4.589 6.590 -12.539 1.00 0.00 O ATOM 1132 CB THR A 70 5.755 4.123 -13.877 1.00 0.00 C ATOM 1133 OG1 THR A 70 4.648 3.424 -14.474 1.00 0.00 O ATOM 1134 CG2 THR A 70 7.023 3.305 -14.048 1.00 0.00 C ATOM 0 H THR A 70 4.689 2.433 -12.372 1.00 0.00 H new ATOM 0 HA THR A 70 6.366 4.731 -11.899 1.00 0.00 H new ATOM 0 HB THR A 70 5.890 5.087 -14.367 1.00 0.00 H new ATOM 0 HG1 THR A 70 4.830 3.274 -15.425 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.213 3.146 -15.109 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.863 3.840 -13.605 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.904 2.342 -13.552 1.00 0.00 H new ATOM 1142 N ASP A 71 3.207 4.988 -11.801 1.00 0.00 N ATOM 1143 CA ASP A 71 2.085 5.891 -11.653 1.00 0.00 C ATOM 1144 C ASP A 71 2.094 6.619 -10.319 1.00 0.00 C ATOM 1145 O ASP A 71 2.850 6.279 -9.411 1.00 0.00 O ATOM 1146 CB ASP A 71 0.786 5.120 -11.793 1.00 0.00 C ATOM 1147 CG ASP A 71 0.115 5.379 -13.110 1.00 0.00 C ATOM 1148 OD1 ASP A 71 -0.527 6.436 -13.261 1.00 0.00 O ATOM 1149 OD2 ASP A 71 0.250 4.539 -14.015 1.00 0.00 O ATOM 0 H ASP A 71 3.011 4.024 -11.533 1.00 0.00 H new ATOM 0 HA ASP A 71 2.172 6.642 -12.439 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.985 4.053 -11.692 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.112 5.396 -10.982 1.00 0.00 H new ATOM 1154 N THR A 72 1.287 7.658 -10.225 1.00 0.00 N ATOM 1155 CA THR A 72 1.076 8.372 -8.979 1.00 0.00 C ATOM 1156 C THR A 72 -0.399 8.351 -8.604 1.00 0.00 C ATOM 1157 O THR A 72 -1.258 8.252 -9.476 1.00 0.00 O ATOM 1158 CB THR A 72 1.552 9.835 -9.066 1.00 0.00 C ATOM 1159 OG1 THR A 72 1.419 10.326 -10.405 1.00 0.00 O ATOM 1160 CG2 THR A 72 2.984 9.972 -8.594 1.00 0.00 C ATOM 0 H THR A 72 0.757 8.032 -11.012 1.00 0.00 H new ATOM 0 HA THR A 72 1.665 7.865 -8.215 1.00 0.00 H new ATOM 0 HB THR A 72 0.921 10.434 -8.409 1.00 0.00 H new ATOM 0 HG1 THR A 72 1.724 11.257 -10.444 1.00 0.00 H new ATOM 0 HG21 THR A 72 3.293 11.015 -8.667 1.00 0.00 H new ATOM 0 HG22 THR A 72 3.059 9.643 -7.558 1.00 0.00 H new ATOM 0 HG23 THR A 72 3.633 9.357 -9.218 1.00 0.00 H new ATOM 1168 N PRO A 73 -0.713 8.453 -7.302 1.00 0.00 N ATOM 1169 CA PRO A 73 -2.099 8.434 -6.814 1.00 0.00 C ATOM 1170 C PRO A 73 -2.948 9.539 -7.446 1.00 0.00 C ATOM 1171 O PRO A 73 -4.157 9.383 -7.653 1.00 0.00 O ATOM 1172 CB PRO A 73 -1.959 8.667 -5.299 1.00 0.00 C ATOM 1173 CG PRO A 73 -0.567 9.172 -5.102 1.00 0.00 C ATOM 1174 CD PRO A 73 0.251 8.598 -6.207 1.00 0.00 C ATOM 0 HA PRO A 73 -2.603 7.501 -7.066 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.693 9.390 -4.943 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.125 7.744 -4.743 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.542 10.261 -5.127 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.177 8.866 -4.131 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.075 9.257 -6.481 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.689 7.640 -5.927 1.00 0.00 H new ATOM 1182 N ALA A 74 -2.309 10.644 -7.783 1.00 0.00 N ATOM 1183 CA ALA A 74 -2.996 11.779 -8.373 1.00 0.00 C ATOM 1184 C ALA A 74 -3.434 11.489 -9.806 1.00 0.00 C ATOM 1185 O ALA A 74 -4.334 12.133 -10.338 1.00 0.00 O ATOM 1186 CB ALA A 74 -2.105 12.998 -8.328 1.00 0.00 C ATOM 0 H ALA A 74 -1.306 10.780 -7.657 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.897 11.970 -7.789 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.626 13.846 -8.772 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.855 13.228 -7.292 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.190 12.801 -8.887 1.00 0.00 H new ATOM 1192 N GLN A 75 -2.804 10.513 -10.432 1.00 0.00 N ATOM 1193 CA GLN A 75 -3.143 10.130 -11.795 1.00 0.00 C ATOM 1194 C GLN A 75 -4.511 9.475 -11.848 1.00 0.00 C ATOM 1195 O GLN A 75 -5.295 9.705 -12.768 1.00 0.00 O ATOM 1196 CB GLN A 75 -2.094 9.175 -12.343 1.00 0.00 C ATOM 1197 CG GLN A 75 -0.825 9.852 -12.802 1.00 0.00 C ATOM 1198 CD GLN A 75 -1.008 10.591 -14.110 1.00 0.00 C ATOM 1199 OE1 GLN A 75 -0.819 10.024 -15.188 1.00 0.00 O ATOM 1200 NE2 GLN A 75 -1.370 11.854 -14.031 1.00 0.00 N ATOM 0 H GLN A 75 -2.049 9.966 -10.017 1.00 0.00 H new ATOM 0 HA GLN A 75 -3.167 11.031 -12.407 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -1.846 8.444 -11.573 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -2.522 8.623 -13.180 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -0.492 10.552 -12.036 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -0.039 9.106 -12.916 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -1.516 12.286 -13.119 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -1.504 12.400 -14.882 1.00 0.00 H new ATOM 1209 N LEU A 76 -4.803 8.665 -10.850 1.00 0.00 N ATOM 1210 CA LEU A 76 -6.059 7.950 -10.800 1.00 0.00 C ATOM 1211 C LEU A 76 -7.145 8.792 -10.141 1.00 0.00 C ATOM 1212 O LEU A 76 -8.276 8.334 -9.961 1.00 0.00 O ATOM 1213 CB LEU A 76 -5.882 6.614 -10.071 1.00 0.00 C ATOM 1214 CG LEU A 76 -4.592 5.853 -10.406 1.00 0.00 C ATOM 1215 CD1 LEU A 76 -3.528 6.131 -9.364 1.00 0.00 C ATOM 1216 CD2 LEU A 76 -4.845 4.360 -10.527 1.00 0.00 C ATOM 0 H LEU A 76 -4.183 8.486 -10.060 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.377 7.745 -11.822 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.908 6.798 -8.997 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.733 5.975 -10.305 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.235 6.208 -11.373 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.620 5.584 -9.616 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.313 7.199 -9.340 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.885 5.810 -8.385 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.911 3.851 -10.765 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.236 3.980 -9.583 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.570 4.177 -11.320 1.00 0.00 H new ATOM 1228 N GLU A 77 -6.792 10.043 -9.780 1.00 0.00 N ATOM 1229 CA GLU A 77 -7.735 10.987 -9.163 1.00 0.00 C ATOM 1230 C GLU A 77 -8.339 10.409 -7.890 1.00 0.00 C ATOM 1231 O GLU A 77 -9.470 10.722 -7.514 1.00 0.00 O ATOM 1232 CB GLU A 77 -8.833 11.362 -10.160 1.00 0.00 C ATOM 1233 CG GLU A 77 -8.329 12.178 -11.337 1.00 0.00 C ATOM 1234 CD GLU A 77 -8.091 13.631 -10.981 1.00 0.00 C ATOM 1235 OE1 GLU A 77 -7.122 13.930 -10.252 1.00 0.00 O ATOM 1236 OE2 GLU A 77 -8.883 14.485 -11.419 1.00 0.00 O ATOM 0 H GLU A 77 -5.853 10.421 -9.908 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.186 11.888 -8.890 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.300 10.451 -10.533 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -9.607 11.927 -9.641 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.401 11.742 -11.706 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.053 12.121 -12.150 1.00 0.00 H new ATOM 1243 N MET A 78 -7.569 9.587 -7.213 1.00 0.00 N ATOM 1244 CA MET A 78 -8.023 8.936 -6.002 1.00 0.00 C ATOM 1245 C MET A 78 -7.951 9.896 -4.809 1.00 0.00 C ATOM 1246 O MET A 78 -7.299 10.940 -4.875 1.00 0.00 O ATOM 1247 CB MET A 78 -7.203 7.668 -5.752 1.00 0.00 C ATOM 1248 CG MET A 78 -5.767 7.924 -5.360 1.00 0.00 C ATOM 1249 SD MET A 78 -4.662 6.594 -5.880 1.00 0.00 S ATOM 1250 CE MET A 78 -5.526 5.162 -5.255 1.00 0.00 C ATOM 0 H MET A 78 -6.614 9.351 -7.484 1.00 0.00 H new ATOM 0 HA MET A 78 -9.067 8.648 -6.125 1.00 0.00 H new ATOM 0 HB2 MET A 78 -7.684 7.087 -4.965 1.00 0.00 H new ATOM 0 HB3 MET A 78 -7.218 7.056 -6.654 1.00 0.00 H new ATOM 0 HG2 MET A 78 -5.434 8.863 -5.803 1.00 0.00 H new ATOM 0 HG3 MET A 78 -5.704 8.042 -4.278 1.00 0.00 H new ATOM 0 HE1 MET A 78 -4.803 4.402 -4.957 1.00 0.00 H new ATOM 0 HE2 MET A 78 -6.128 5.448 -4.393 1.00 0.00 H new ATOM 0 HE3 MET A 78 -6.175 4.760 -6.033 1.00 0.00 H new ATOM 1260 N GLU A 79 -8.615 9.541 -3.729 1.00 0.00 N ATOM 1261 CA GLU A 79 -8.695 10.405 -2.548 1.00 0.00 C ATOM 1262 C GLU A 79 -8.147 9.689 -1.324 1.00 0.00 C ATOM 1263 O GLU A 79 -7.821 8.504 -1.387 1.00 0.00 O ATOM 1264 CB GLU A 79 -10.149 10.783 -2.310 1.00 0.00 C ATOM 1265 CG GLU A 79 -11.029 9.583 -2.013 1.00 0.00 C ATOM 1266 CD GLU A 79 -12.495 9.872 -2.203 1.00 0.00 C ATOM 1267 OE1 GLU A 79 -12.886 10.315 -3.310 1.00 0.00 O ATOM 1268 OE2 GLU A 79 -13.274 9.649 -1.252 1.00 0.00 O ATOM 0 H GLU A 79 -9.113 8.656 -3.635 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.098 11.301 -2.720 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.205 11.484 -1.477 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.533 11.301 -3.189 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.739 8.757 -2.662 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.858 9.258 -0.987 1.00 0.00 H new ATOM 1275 N ASP A 80 -8.016 10.402 -0.204 1.00 0.00 N ATOM 1276 CA ASP A 80 -7.559 9.785 1.034 1.00 0.00 C ATOM 1277 C ASP A 80 -8.523 8.719 1.523 1.00 0.00 C ATOM 1278 O ASP A 80 -9.739 8.815 1.338 1.00 0.00 O ATOM 1279 CB ASP A 80 -7.334 10.832 2.140 1.00 0.00 C ATOM 1280 CG ASP A 80 -8.585 11.613 2.495 1.00 0.00 C ATOM 1281 OD1 ASP A 80 -8.921 12.557 1.762 1.00 0.00 O ATOM 1282 OD2 ASP A 80 -9.225 11.294 3.516 1.00 0.00 O ATOM 0 H ASP A 80 -8.219 11.399 -0.132 1.00 0.00 H new ATOM 0 HA ASP A 80 -6.605 9.308 0.807 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.962 10.331 3.034 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.559 11.528 1.819 1.00 0.00 H new ATOM 1287 N GLU A 81 -7.945 7.684 2.119 1.00 0.00 N ATOM 1288 CA GLU A 81 -8.665 6.555 2.677 1.00 0.00 C ATOM 1289 C GLU A 81 -9.255 5.680 1.589 1.00 0.00 C ATOM 1290 O GLU A 81 -10.148 4.867 1.834 1.00 0.00 O ATOM 1291 CB GLU A 81 -9.719 7.023 3.659 1.00 0.00 C ATOM 1292 CG GLU A 81 -9.136 7.443 4.994 1.00 0.00 C ATOM 1293 CD GLU A 81 -8.946 6.268 5.936 1.00 0.00 C ATOM 1294 OE1 GLU A 81 -9.863 5.411 6.014 1.00 0.00 O ATOM 1295 OE2 GLU A 81 -7.899 6.194 6.601 1.00 0.00 O ATOM 0 H GLU A 81 -6.934 7.608 2.229 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.953 5.938 3.226 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -10.265 7.862 3.226 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -10.441 6.222 3.819 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -8.176 7.933 4.831 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -9.794 8.177 5.460 1.00 0.00 H new ATOM 1302 N ASP A 82 -8.769 5.857 0.377 1.00 0.00 N ATOM 1303 CA ASP A 82 -9.176 5.021 -0.737 1.00 0.00 C ATOM 1304 C ASP A 82 -8.597 3.601 -0.575 1.00 0.00 C ATOM 1305 O ASP A 82 -7.576 3.411 0.088 1.00 0.00 O ATOM 1306 CB ASP A 82 -8.731 5.648 -2.062 1.00 0.00 C ATOM 1307 CG ASP A 82 -9.071 4.798 -3.225 1.00 0.00 C ATOM 1308 OD1 ASP A 82 -8.278 3.915 -3.550 1.00 0.00 O ATOM 1309 OD2 ASP A 82 -10.160 5.004 -3.819 1.00 0.00 O ATOM 0 H ASP A 82 -8.087 6.577 0.136 1.00 0.00 H new ATOM 0 HA ASP A 82 -10.263 4.947 -0.746 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -9.203 6.624 -2.177 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -7.654 5.816 -2.039 1.00 0.00 H new ATOM 1314 N THR A 83 -9.258 2.605 -1.159 1.00 0.00 N ATOM 1315 CA THR A 83 -8.829 1.218 -1.027 1.00 0.00 C ATOM 1316 C THR A 83 -8.331 0.624 -2.370 1.00 0.00 C ATOM 1317 O THR A 83 -8.962 0.782 -3.416 1.00 0.00 O ATOM 1318 CB THR A 83 -9.983 0.361 -0.473 1.00 0.00 C ATOM 1319 OG1 THR A 83 -10.528 1.007 0.688 1.00 0.00 O ATOM 1320 CG2 THR A 83 -9.496 -1.028 -0.092 1.00 0.00 C ATOM 0 H THR A 83 -10.094 2.734 -1.729 1.00 0.00 H new ATOM 0 HA THR A 83 -7.989 1.204 -0.333 1.00 0.00 H new ATOM 0 HB THR A 83 -10.745 0.259 -1.246 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.265 0.469 1.046 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.330 -1.612 0.296 1.00 0.00 H new ATOM 0 HG22 THR A 83 -9.084 -1.523 -0.971 1.00 0.00 H new ATOM 0 HG23 THR A 83 -8.724 -0.946 0.673 1.00 0.00 H new ATOM 1328 N ILE A 84 -7.197 -0.078 -2.311 1.00 0.00 N ATOM 1329 CA ILE A 84 -6.577 -0.701 -3.476 1.00 0.00 C ATOM 1330 C ILE A 84 -6.944 -2.185 -3.536 1.00 0.00 C ATOM 1331 O ILE A 84 -7.075 -2.841 -2.503 1.00 0.00 O ATOM 1332 CB ILE A 84 -5.023 -0.579 -3.413 1.00 0.00 C ATOM 1333 CG1 ILE A 84 -4.595 0.882 -3.237 1.00 0.00 C ATOM 1334 CG2 ILE A 84 -4.378 -1.176 -4.657 1.00 0.00 C ATOM 1335 CD1 ILE A 84 -4.968 1.776 -4.393 1.00 0.00 C ATOM 0 H ILE A 84 -6.681 -0.230 -1.444 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.945 -0.185 -4.363 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.680 -1.143 -2.546 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.048 1.275 -2.327 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.515 0.919 -3.097 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.295 -1.078 -4.588 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.643 -2.231 -4.734 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.734 -0.647 -5.541 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.630 2.792 -4.191 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.493 1.410 -5.304 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -6.050 1.772 -4.521 1.00 0.00 H new ATOM 1347 N ASP A 85 -7.105 -2.709 -4.741 1.00 0.00 N ATOM 1348 CA ASP A 85 -7.441 -4.116 -4.942 1.00 0.00 C ATOM 1349 C ASP A 85 -6.199 -4.924 -5.312 1.00 0.00 C ATOM 1350 O ASP A 85 -5.572 -4.672 -6.339 1.00 0.00 O ATOM 1351 CB ASP A 85 -8.475 -4.261 -6.063 1.00 0.00 C ATOM 1352 CG ASP A 85 -9.884 -3.882 -5.656 1.00 0.00 C ATOM 1353 OD1 ASP A 85 -10.573 -4.723 -5.040 1.00 0.00 O ATOM 1354 OD2 ASP A 85 -10.326 -2.764 -5.983 1.00 0.00 O ATOM 0 H ASP A 85 -7.008 -2.177 -5.606 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.853 -4.496 -4.007 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -8.172 -3.639 -6.905 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -8.474 -5.293 -6.412 1.00 0.00 H new ATOM 1359 N VAL A 86 -5.822 -5.876 -4.475 1.00 0.00 N ATOM 1360 CA VAL A 86 -4.684 -6.744 -4.774 1.00 0.00 C ATOM 1361 C VAL A 86 -5.124 -8.193 -4.948 1.00 0.00 C ATOM 1362 O VAL A 86 -5.905 -8.729 -4.149 1.00 0.00 O ATOM 1363 CB VAL A 86 -3.597 -6.667 -3.680 1.00 0.00 C ATOM 1364 CG1 VAL A 86 -2.453 -7.628 -3.981 1.00 0.00 C ATOM 1365 CG2 VAL A 86 -3.075 -5.260 -3.576 1.00 0.00 C ATOM 0 H VAL A 86 -6.282 -6.071 -3.586 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.258 -6.384 -5.711 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.044 -6.957 -2.729 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.700 -7.555 -3.196 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.836 -8.648 -4.023 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.003 -7.370 -4.940 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.309 -5.213 -2.802 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.645 -4.960 -4.532 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.893 -4.587 -3.318 1.00 0.00 H new ATOM 1375 N PHE A 87 -4.592 -8.839 -5.971 1.00 0.00 N ATOM 1376 CA PHE A 87 -4.931 -10.218 -6.285 1.00 0.00 C ATOM 1377 C PHE A 87 -3.664 -11.016 -6.570 1.00 0.00 C ATOM 1378 O PHE A 87 -2.641 -10.449 -6.971 1.00 0.00 O ATOM 1379 CB PHE A 87 -5.910 -10.286 -7.469 1.00 0.00 C ATOM 1380 CG PHE A 87 -5.550 -9.388 -8.623 1.00 0.00 C ATOM 1381 CD1 PHE A 87 -5.987 -8.073 -8.651 1.00 0.00 C ATOM 1382 CD2 PHE A 87 -4.782 -9.854 -9.674 1.00 0.00 C ATOM 1383 CE1 PHE A 87 -5.664 -7.243 -9.702 1.00 0.00 C ATOM 1384 CE2 PHE A 87 -4.456 -9.026 -10.732 1.00 0.00 C ATOM 1385 CZ PHE A 87 -4.897 -7.719 -10.745 1.00 0.00 C ATOM 0 H PHE A 87 -3.913 -8.423 -6.608 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.429 -10.661 -5.422 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.959 -11.315 -7.826 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.907 -10.023 -7.116 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.589 -7.694 -7.838 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.433 -10.876 -9.668 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -6.011 -6.220 -9.709 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -3.856 -9.402 -11.548 1.00 0.00 H new ATOM 0 HZ PHE A 87 -4.642 -7.070 -11.570 1.00 0.00 H new ATOM 1395 N GLN A 88 -3.711 -12.324 -6.335 1.00 0.00 N ATOM 1396 CA GLN A 88 -2.553 -13.183 -6.534 1.00 0.00 C ATOM 1397 C GLN A 88 -2.358 -13.534 -8.012 1.00 0.00 C ATOM 1398 O GLN A 88 -3.191 -14.191 -8.626 1.00 0.00 O ATOM 1399 CB GLN A 88 -2.698 -14.469 -5.716 1.00 0.00 C ATOM 1400 CG GLN A 88 -1.411 -15.283 -5.610 1.00 0.00 C ATOM 1401 CD GLN A 88 -0.608 -14.971 -4.354 1.00 0.00 C ATOM 1402 OE1 GLN A 88 -0.736 -13.761 -3.848 1.00 0.00 O flip ATOM 1403 NE2 GLN A 88 0.112 -15.822 -3.841 1.00 0.00 N flip ATOM 0 H GLN A 88 -4.544 -12.812 -6.005 1.00 0.00 H new ATOM 0 HA GLN A 88 -1.675 -12.632 -6.196 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -3.038 -14.213 -4.713 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -3.473 -15.089 -6.167 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.658 -16.345 -5.622 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -0.793 -15.090 -6.487 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.186 -16.748 -4.262 1.00 0.00 H new ATOM 0 HE22 GLN A 88 0.637 -15.603 -2.994 1.00 0.00 H new ATOM 1412 N GLN A 89 -1.259 -13.078 -8.569 1.00 0.00 N ATOM 1413 CA GLN A 89 -0.896 -13.375 -9.949 1.00 0.00 C ATOM 1414 C GLN A 89 0.204 -14.421 -10.002 1.00 0.00 C ATOM 1415 O GLN A 89 0.923 -14.550 -10.996 1.00 0.00 O ATOM 1416 CB GLN A 89 -0.469 -12.105 -10.670 1.00 0.00 C ATOM 1417 CG GLN A 89 -1.638 -11.294 -11.192 1.00 0.00 C ATOM 1418 CD GLN A 89 -2.321 -11.962 -12.368 1.00 0.00 C ATOM 1419 OE1 GLN A 89 -1.681 -12.652 -13.163 1.00 0.00 O ATOM 1420 NE2 GLN A 89 -3.619 -11.770 -12.489 1.00 0.00 N ATOM 0 H GLN A 89 -0.585 -12.488 -8.081 1.00 0.00 H new ATOM 0 HA GLN A 89 -1.771 -13.780 -10.456 1.00 0.00 H new ATOM 0 HB2 GLN A 89 0.118 -11.488 -9.989 1.00 0.00 H new ATOM 0 HB3 GLN A 89 0.183 -12.369 -11.503 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -2.362 -11.146 -10.390 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -1.287 -10.306 -11.491 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -4.114 -11.192 -11.810 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -4.128 -12.200 -13.261 1.00 0.00 H new