USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 823 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 94 MET CE :methyl 179:sc= -1.63 (180deg=-1.64) USER MOD Set 1.2: A 103 HIS :FLIP no HD1:sc= -10.4! C(o=-13!,f=-12!) USER MOD Set 2.1: A 44 SER OG : rot -154:sc= -0.693 USER MOD Set 2.2: A 46 THR OG1 : rot 160:sc= -4.43! USER MOD Set 2.3: A 61 LYS NZ :NH3+ -169:sc= 0.321 (180deg=0) USER MOD Set 2.4: A 63 GLN : amide:sc= 0.306 K(o=-4.5,f=-5.6) USER MOD Set 3.1: A 38 LYS NZ :NH3+ -158:sc= 0 (180deg=0) USER MOD Set 3.2: A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 78:sc= 1.02 USER MOD Single : A 31 HIS : no HD1:sc= 0.0714 K(o=0.071,f=-2.1!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -2.3! C(o=-2.3!,f=-2.2!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.141 USER MOD Single : A 57 ASN : amide:sc= -0.152 K(o=-0.15,f=-2.2!) USER MOD Single : A 58 SER OG : rot 180:sc= -0.0142 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 178:sc= -0.742 USER MOD Single : A 73 TYR OH : rot -105:sc= -1.26 USER MOD Single : A 78 SER OG : rot 169:sc= -1.09 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 ASN :FLIP amide:sc= -0.249 F(o=-1.2,f=-0.25) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc= 0.782 K(o=0.78,f=-0.82) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 105 MET CE :methyl -147:sc= -0.129 (180deg=-1.03) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 152:sc= 0.235 (180deg=0.066) USER MOD Single : A 112 THR OG1 : rot -117:sc= 1 USER MOD Single : A 114 ASN : amide:sc= -0.404 X(o=-0.4,f=-0.029) USER MOD Single : A 117 HIS : no HE2:sc= 0.0518 K(o=0.052,f=-1.5) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 ASN : amide:sc= -0.089 X(o=-0.089,f=-0.48) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ -177:sc= 0.181 (180deg=0.178) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 TYR OH : rot 165:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 287 N ALA A 21 4.811 7.631 7.744 1.00 0.00 N ATOM 288 CA ALA A 21 3.522 6.991 7.944 1.00 0.00 C ATOM 289 C ALA A 21 3.664 5.885 8.992 1.00 0.00 C ATOM 290 O ALA A 21 4.775 5.468 9.313 1.00 0.00 O ATOM 291 CB ALA A 21 3.002 6.463 6.606 1.00 0.00 C ATOM 0 HA ALA A 21 2.791 7.708 8.318 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.035 5.983 6.755 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.892 7.291 5.906 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.708 5.738 6.202 1.00 0.00 H new ATOM 297 N ALA A 22 2.521 5.443 9.496 1.00 0.00 N ATOM 298 CA ALA A 22 2.504 4.393 10.501 1.00 0.00 C ATOM 299 C ALA A 22 2.304 3.040 9.816 1.00 0.00 C ATOM 300 O ALA A 22 1.483 2.915 8.908 1.00 0.00 O ATOM 301 CB ALA A 22 1.414 4.692 11.532 1.00 0.00 C ATOM 0 H ALA A 22 1.601 5.792 9.228 1.00 0.00 H new ATOM 0 HA ALA A 22 3.455 4.355 11.033 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.401 3.905 12.286 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.619 5.650 12.011 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.445 4.735 11.035 1.00 0.00 H new ATOM 307 N VAL A 23 3.067 2.060 10.278 1.00 0.00 N ATOM 308 CA VAL A 23 2.984 0.721 9.721 1.00 0.00 C ATOM 309 C VAL A 23 1.946 -0.088 10.501 1.00 0.00 C ATOM 310 O VAL A 23 1.739 0.145 11.691 1.00 0.00 O ATOM 311 CB VAL A 23 4.368 0.069 9.715 1.00 0.00 C ATOM 312 CG1 VAL A 23 4.266 -1.432 9.437 1.00 0.00 C ATOM 313 CG2 VAL A 23 5.292 0.753 8.705 1.00 0.00 C ATOM 0 H VAL A 23 3.746 2.167 11.032 1.00 0.00 H new ATOM 0 HA VAL A 23 2.653 0.760 8.683 1.00 0.00 H new ATOM 0 HB VAL A 23 4.803 0.197 10.706 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.264 -1.871 9.438 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.661 -1.905 10.210 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.801 -1.591 8.464 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.269 0.270 8.721 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.863 0.671 7.706 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.403 1.805 8.968 1.00 0.00 H new ATOM 323 N ASP A 24 1.320 -1.021 9.800 1.00 0.00 N ATOM 324 CA ASP A 24 0.308 -1.865 10.412 1.00 0.00 C ATOM 325 C ASP A 24 0.992 -2.945 11.253 1.00 0.00 C ATOM 326 O ASP A 24 2.047 -3.454 10.878 1.00 0.00 O ATOM 327 CB ASP A 24 -0.544 -2.563 9.350 1.00 0.00 C ATOM 328 CG ASP A 24 -2.029 -2.198 9.370 1.00 0.00 C ATOM 329 OD1 ASP A 24 -2.389 -1.332 10.197 1.00 0.00 O ATOM 330 OD2 ASP A 24 -2.771 -2.793 8.559 1.00 0.00 O ATOM 0 H ASP A 24 1.494 -1.211 8.813 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.331 -1.232 11.028 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.140 -2.324 8.366 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.448 -3.641 9.480 1.00 0.00 H new ATOM 335 N PRO A 25 0.347 -3.272 12.405 1.00 0.00 N ATOM 336 CA PRO A 25 0.881 -4.282 13.302 1.00 0.00 C ATOM 337 C PRO A 25 0.661 -5.687 12.739 1.00 0.00 C ATOM 338 O PRO A 25 1.360 -6.627 13.115 1.00 0.00 O ATOM 339 CB PRO A 25 0.167 -4.052 14.624 1.00 0.00 C ATOM 340 CG PRO A 25 -1.070 -3.232 14.292 1.00 0.00 C ATOM 341 CD PRO A 25 -0.905 -2.690 12.881 1.00 0.00 C ATOM 0 HA PRO A 25 1.961 -4.203 13.430 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -0.105 -4.999 15.091 1.00 0.00 H new ATOM 0 HB3 PRO A 25 0.809 -3.523 15.328 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -1.966 -3.848 14.362 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -1.189 -2.415 15.003 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -1.742 -2.978 12.246 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -0.862 -1.601 12.878 1.00 0.00 H new ATOM 349 N ASP A 26 -0.314 -5.787 11.847 1.00 0.00 N ATOM 350 CA ASP A 26 -0.635 -7.062 11.229 1.00 0.00 C ATOM 351 C ASP A 26 0.496 -7.463 10.280 1.00 0.00 C ATOM 352 O ASP A 26 0.653 -8.640 9.959 1.00 0.00 O ATOM 353 CB ASP A 26 -1.926 -6.968 10.413 1.00 0.00 C ATOM 354 CG ASP A 26 -3.197 -6.747 11.236 1.00 0.00 C ATOM 355 OD1 ASP A 26 -3.223 -5.743 11.980 1.00 0.00 O ATOM 356 OD2 ASP A 26 -4.113 -7.587 11.104 1.00 0.00 O ATOM 0 H ASP A 26 -0.892 -5.006 11.538 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.762 -7.799 12.022 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.827 -6.151 9.698 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -2.040 -7.885 9.835 1.00 0.00 H new ATOM 361 N SER A 27 1.254 -6.462 9.858 1.00 0.00 N ATOM 362 CA SER A 27 2.366 -6.696 8.952 1.00 0.00 C ATOM 363 C SER A 27 3.549 -7.292 9.718 1.00 0.00 C ATOM 364 O SER A 27 4.333 -8.056 9.159 1.00 0.00 O ATOM 365 CB SER A 27 2.786 -5.403 8.250 1.00 0.00 C ATOM 366 OG SER A 27 1.958 -4.303 8.618 1.00 0.00 O ATOM 0 H SER A 27 1.120 -5.487 10.126 1.00 0.00 H new ATOM 0 HA SER A 27 2.042 -7.403 8.189 1.00 0.00 H new ATOM 0 HB2 SER A 27 3.823 -5.176 8.499 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.741 -5.545 7.170 1.00 0.00 H new ATOM 0 HG SER A 27 2.220 -3.979 9.505 1.00 0.00 H new ATOM 372 N GLY A 28 3.639 -6.919 10.986 1.00 0.00 N ATOM 373 CA GLY A 28 4.713 -7.407 11.835 1.00 0.00 C ATOM 374 C GLY A 28 5.950 -6.513 11.722 1.00 0.00 C ATOM 375 O GLY A 28 6.827 -6.549 12.585 1.00 0.00 O ATOM 0 H GLY A 28 2.986 -6.285 11.446 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.376 -7.439 12.871 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.970 -8.428 11.552 1.00 0.00 H new ATOM 379 N LEU A 29 5.982 -5.733 10.652 1.00 0.00 N ATOM 380 CA LEU A 29 7.097 -4.831 10.416 1.00 0.00 C ATOM 381 C LEU A 29 6.767 -3.456 10.999 1.00 0.00 C ATOM 382 O LEU A 29 7.408 -2.463 10.658 1.00 0.00 O ATOM 383 CB LEU A 29 7.454 -4.799 8.929 1.00 0.00 C ATOM 384 CG LEU A 29 7.511 -6.156 8.223 1.00 0.00 C ATOM 385 CD1 LEU A 29 7.750 -7.286 9.227 1.00 0.00 C ATOM 386 CD2 LEU A 29 6.254 -6.391 7.384 1.00 0.00 C ATOM 0 H LEU A 29 5.254 -5.707 9.938 1.00 0.00 H new ATOM 0 HA LEU A 29 7.991 -5.188 10.927 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.724 -4.174 8.414 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.424 -4.313 8.819 1.00 0.00 H new ATOM 0 HG LEU A 29 8.358 -6.149 7.537 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.786 -8.239 8.700 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.696 -7.120 9.743 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.938 -7.304 9.954 1.00 0.00 H new ATOM 0 HD21 LEU A 29 6.320 -7.362 6.893 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.376 -6.370 8.030 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.168 -5.609 6.630 1.00 0.00 H new ATOM 398 N GLU A 30 5.768 -3.441 11.869 1.00 0.00 N ATOM 399 CA GLU A 30 5.346 -2.204 12.503 1.00 0.00 C ATOM 400 C GLU A 30 6.463 -1.655 13.393 1.00 0.00 C ATOM 401 O GLU A 30 6.569 -0.445 13.586 1.00 0.00 O ATOM 402 CB GLU A 30 4.058 -2.409 13.303 1.00 0.00 C ATOM 403 CG GLU A 30 4.207 -3.564 14.295 1.00 0.00 C ATOM 404 CD GLU A 30 3.505 -3.245 15.617 1.00 0.00 C ATOM 405 OE1 GLU A 30 2.646 -2.337 15.599 1.00 0.00 O ATOM 406 OE2 GLU A 30 3.843 -3.917 16.615 1.00 0.00 O ATOM 0 H GLU A 30 5.238 -4.266 12.150 1.00 0.00 H new ATOM 0 HA GLU A 30 5.137 -1.472 11.723 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.810 -1.494 13.840 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.232 -2.614 12.622 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.786 -4.473 13.866 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.264 -3.757 14.478 1.00 0.00 H new ATOM 413 N HIS A 31 7.266 -2.572 13.911 1.00 0.00 N ATOM 414 CA HIS A 31 8.371 -2.195 14.777 1.00 0.00 C ATOM 415 C HIS A 31 9.692 -2.636 14.143 1.00 0.00 C ATOM 416 O HIS A 31 10.736 -2.610 14.794 1.00 0.00 O ATOM 417 CB HIS A 31 8.173 -2.756 16.186 1.00 0.00 C ATOM 418 CG HIS A 31 7.712 -4.194 16.216 1.00 0.00 C ATOM 419 ND1 HIS A 31 7.961 -5.083 15.185 1.00 0.00 N ATOM 420 CD2 HIS A 31 7.015 -4.887 17.162 1.00 0.00 C ATOM 421 CE1 HIS A 31 7.433 -6.255 15.506 1.00 0.00 C ATOM 422 NE2 HIS A 31 6.847 -6.131 16.731 1.00 0.00 N ATOM 0 H HIS A 31 7.174 -3.575 13.748 1.00 0.00 H new ATOM 0 HA HIS A 31 8.402 -1.111 14.882 1.00 0.00 H new ATOM 0 HB2 HIS A 31 9.112 -2.675 16.733 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.443 -2.140 16.712 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.660 -4.491 18.102 1.00 0.00 H new ATOM 0 HE1 HIS A 31 7.462 -7.151 14.903 1.00 0.00 H new ATOM 0 HE2 HIS A 31 6.359 -6.873 17.234 1.00 0.00 H new ATOM 430 N SER A 32 9.604 -3.031 12.882 1.00 0.00 N ATOM 431 CA SER A 32 10.780 -3.477 12.153 1.00 0.00 C ATOM 432 C SER A 32 11.002 -2.591 10.926 1.00 0.00 C ATOM 433 O SER A 32 12.051 -1.963 10.791 1.00 0.00 O ATOM 434 CB SER A 32 10.644 -4.942 11.733 1.00 0.00 C ATOM 435 OG SER A 32 11.837 -5.681 11.980 1.00 0.00 O ATOM 0 H SER A 32 8.737 -3.052 12.346 1.00 0.00 H new ATOM 0 HA SER A 32 11.644 -3.395 12.813 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.816 -5.399 12.275 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.399 -4.994 10.672 1.00 0.00 H new ATOM 0 HG SER A 32 11.709 -6.611 11.700 1.00 0.00 H new ATOM 441 N ALA A 33 9.998 -2.568 10.062 1.00 0.00 N ATOM 442 CA ALA A 33 10.070 -1.769 8.851 1.00 0.00 C ATOM 443 C ALA A 33 9.183 -0.532 9.007 1.00 0.00 C ATOM 444 O ALA A 33 8.497 -0.379 10.016 1.00 0.00 O ATOM 445 CB ALA A 33 9.669 -2.627 7.649 1.00 0.00 C ATOM 0 H ALA A 33 9.130 -3.090 10.177 1.00 0.00 H new ATOM 0 HA ALA A 33 11.089 -1.423 8.679 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.723 -2.028 6.740 1.00 0.00 H new ATOM 0 HB2 ALA A 33 10.348 -3.476 7.565 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.650 -2.990 7.785 1.00 0.00 H new ATOM 451 N HIS A 34 9.227 0.319 7.992 1.00 0.00 N ATOM 452 CA HIS A 34 8.436 1.538 8.004 1.00 0.00 C ATOM 453 C HIS A 34 7.835 1.773 6.617 1.00 0.00 C ATOM 454 O HIS A 34 8.311 1.219 5.628 1.00 0.00 O ATOM 455 CB HIS A 34 9.270 2.722 8.497 1.00 0.00 C ATOM 456 CG HIS A 34 10.514 2.980 7.681 1.00 0.00 C ATOM 457 ND1 HIS A 34 11.778 2.605 8.102 1.00 0.00 N ATOM 458 CD2 HIS A 34 10.674 3.577 6.465 1.00 0.00 C ATOM 459 CE1 HIS A 34 12.652 2.966 7.174 1.00 0.00 C ATOM 460 NE2 HIS A 34 11.966 3.569 6.160 1.00 0.00 N ATOM 0 H HIS A 34 9.798 0.189 7.157 1.00 0.00 H new ATOM 0 HA HIS A 34 7.610 1.433 8.707 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.650 3.618 8.488 1.00 0.00 H new ATOM 0 HB3 HIS A 34 9.558 2.544 9.533 1.00 0.00 H new ATOM 0 HD2 HIS A 34 9.883 3.987 5.854 1.00 0.00 H new ATOM 0 HE1 HIS A 34 13.720 2.810 7.213 1.00 0.00 H new ATOM 0 HE2 HIS A 34 12.378 3.951 5.308 1.00 0.00 H new ATOM 468 N VAL A 35 6.796 2.595 6.589 1.00 0.00 N ATOM 469 CA VAL A 35 6.124 2.910 5.340 1.00 0.00 C ATOM 470 C VAL A 35 7.158 3.378 4.314 1.00 0.00 C ATOM 471 O VAL A 35 8.017 4.203 4.624 1.00 0.00 O ATOM 472 CB VAL A 35 5.018 3.939 5.585 1.00 0.00 C ATOM 473 CG1 VAL A 35 4.265 4.252 4.291 1.00 0.00 C ATOM 474 CG2 VAL A 35 4.058 3.461 6.677 1.00 0.00 C ATOM 0 H VAL A 35 6.403 3.052 7.412 1.00 0.00 H new ATOM 0 HA VAL A 35 5.640 2.022 4.933 1.00 0.00 H new ATOM 0 HB VAL A 35 5.487 4.860 5.931 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.485 4.986 4.493 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.960 4.655 3.554 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.813 3.339 3.903 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.281 4.210 6.832 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.599 2.520 6.372 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.609 3.312 7.606 1.00 0.00 H new ATOM 484 N LEU A 36 7.042 2.831 3.112 1.00 0.00 N ATOM 485 CA LEU A 36 7.956 3.182 2.039 1.00 0.00 C ATOM 486 C LEU A 36 7.628 4.589 1.534 1.00 0.00 C ATOM 487 O LEU A 36 6.501 4.856 1.120 1.00 0.00 O ATOM 488 CB LEU A 36 7.931 2.114 0.943 1.00 0.00 C ATOM 489 CG LEU A 36 9.003 2.241 -0.141 1.00 0.00 C ATOM 490 CD1 LEU A 36 8.439 2.912 -1.395 1.00 0.00 C ATOM 491 CD2 LEU A 36 10.239 2.969 0.392 1.00 0.00 C ATOM 0 H LEU A 36 6.329 2.147 2.858 1.00 0.00 H new ATOM 0 HA LEU A 36 8.982 3.206 2.406 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.032 1.136 1.414 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.953 2.137 0.463 1.00 0.00 H new ATOM 0 HG LEU A 36 9.319 1.238 -0.427 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.222 2.990 -2.149 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.615 2.316 -1.787 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.078 3.909 -1.143 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.985 3.046 -0.399 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.958 3.969 0.724 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.656 2.412 1.231 1.00 0.00 H new ATOM 503 N GLU A 37 8.632 5.451 1.585 1.00 0.00 N ATOM 504 CA GLU A 37 8.464 6.823 1.139 1.00 0.00 C ATOM 505 C GLU A 37 9.242 7.059 -0.158 1.00 0.00 C ATOM 506 O GLU A 37 10.309 6.479 -0.360 1.00 0.00 O ATOM 507 CB GLU A 37 8.897 7.810 2.225 1.00 0.00 C ATOM 508 CG GLU A 37 7.692 8.302 3.030 1.00 0.00 C ATOM 509 CD GLU A 37 8.071 8.539 4.493 1.00 0.00 C ATOM 510 OE1 GLU A 37 8.323 7.529 5.184 1.00 0.00 O ATOM 511 OE2 GLU A 37 8.099 9.725 4.888 1.00 0.00 O ATOM 0 H GLU A 37 9.566 5.226 1.929 1.00 0.00 H new ATOM 0 HA GLU A 37 7.406 6.993 0.941 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.614 7.331 2.892 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.405 8.659 1.768 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.312 9.226 2.595 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.888 7.568 2.973 1.00 0.00 H new ATOM 518 N LYS A 38 8.679 7.910 -1.002 1.00 0.00 N ATOM 519 CA LYS A 38 9.306 8.229 -2.273 1.00 0.00 C ATOM 520 C LYS A 38 8.787 9.580 -2.769 1.00 0.00 C ATOM 521 O LYS A 38 7.653 9.957 -2.479 1.00 0.00 O ATOM 522 CB LYS A 38 9.103 7.088 -3.273 1.00 0.00 C ATOM 523 CG LYS A 38 10.293 6.978 -4.229 1.00 0.00 C ATOM 524 CD LYS A 38 10.353 5.590 -4.870 1.00 0.00 C ATOM 525 CE LYS A 38 10.937 5.665 -6.283 1.00 0.00 C ATOM 526 NZ LYS A 38 12.415 5.618 -6.236 1.00 0.00 N ATOM 0 H LYS A 38 7.795 8.389 -0.831 1.00 0.00 H new ATOM 0 HA LYS A 38 10.385 8.327 -2.151 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.975 6.148 -2.736 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.189 7.257 -3.842 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.212 7.738 -5.006 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.219 7.173 -3.688 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.962 4.927 -4.255 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.352 5.159 -4.908 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.560 4.837 -6.883 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.612 6.585 -6.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.803 6.032 -7.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.754 6.159 -5.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.728 4.630 -6.152 1.00 0.00 H new ATOM 540 N GLY A 39 9.643 10.272 -3.506 1.00 0.00 N ATOM 541 CA GLY A 39 9.285 11.574 -4.045 1.00 0.00 C ATOM 542 C GLY A 39 8.473 12.382 -3.030 1.00 0.00 C ATOM 543 O GLY A 39 7.390 12.872 -3.346 1.00 0.00 O ATOM 0 H GLY A 39 10.584 9.956 -3.743 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.188 12.122 -4.313 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.707 11.446 -4.960 1.00 0.00 H new ATOM 547 N GLY A 40 9.028 12.495 -1.832 1.00 0.00 N ATOM 548 CA GLY A 40 8.369 13.236 -0.770 1.00 0.00 C ATOM 549 C GLY A 40 6.909 12.802 -0.623 1.00 0.00 C ATOM 550 O GLY A 40 6.032 13.630 -0.383 1.00 0.00 O ATOM 0 H GLY A 40 9.926 12.086 -1.574 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.896 13.077 0.171 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.415 14.304 -0.984 1.00 0.00 H new ATOM 554 N LYS A 41 6.693 11.503 -0.772 1.00 0.00 N ATOM 555 CA LYS A 41 5.355 10.949 -0.659 1.00 0.00 C ATOM 556 C LYS A 41 5.396 9.705 0.231 1.00 0.00 C ATOM 557 O LYS A 41 6.473 9.206 0.557 1.00 0.00 O ATOM 558 CB LYS A 41 4.762 10.693 -2.046 1.00 0.00 C ATOM 559 CG LYS A 41 4.293 11.999 -2.691 1.00 0.00 C ATOM 560 CD LYS A 41 2.857 12.329 -2.280 1.00 0.00 C ATOM 561 CE LYS A 41 1.874 11.990 -3.402 1.00 0.00 C ATOM 562 NZ LYS A 41 0.706 12.899 -3.360 1.00 0.00 N ATOM 0 H LYS A 41 7.423 10.818 -0.970 1.00 0.00 H new ATOM 0 HA LYS A 41 4.687 11.663 -0.179 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.508 10.216 -2.682 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.923 10.001 -1.965 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.956 12.813 -2.396 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.354 11.915 -3.776 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.595 11.771 -1.381 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.780 13.388 -2.032 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.373 12.073 -4.368 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.542 10.957 -3.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.049 12.655 -4.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.222 12.800 -2.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.026 13.881 -3.477 1.00 0.00 H new ATOM 576 N VAL A 42 4.212 9.240 0.599 1.00 0.00 N ATOM 577 CA VAL A 42 4.099 8.064 1.444 1.00 0.00 C ATOM 578 C VAL A 42 3.301 6.986 0.708 1.00 0.00 C ATOM 579 O VAL A 42 2.302 7.285 0.056 1.00 0.00 O ATOM 580 CB VAL A 42 3.485 8.446 2.793 1.00 0.00 C ATOM 581 CG1 VAL A 42 3.112 7.200 3.598 1.00 0.00 C ATOM 582 CG2 VAL A 42 4.429 9.350 3.588 1.00 0.00 C ATOM 0 H VAL A 42 3.322 9.657 0.327 1.00 0.00 H new ATOM 0 HA VAL A 42 5.085 7.650 1.656 1.00 0.00 H new ATOM 0 HB VAL A 42 2.570 9.005 2.598 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.678 7.500 4.552 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.386 6.609 3.039 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.005 6.602 3.778 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.969 9.607 4.542 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.368 8.827 3.767 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.623 10.261 3.022 1.00 0.00 H new ATOM 592 N PHE A 43 3.771 5.754 0.837 1.00 0.00 N ATOM 593 CA PHE A 43 3.114 4.630 0.193 1.00 0.00 C ATOM 594 C PHE A 43 1.997 4.069 1.075 1.00 0.00 C ATOM 595 O PHE A 43 1.913 2.859 1.281 1.00 0.00 O ATOM 596 CB PHE A 43 4.176 3.549 -0.015 1.00 0.00 C ATOM 597 CG PHE A 43 5.085 3.793 -1.222 1.00 0.00 C ATOM 598 CD1 PHE A 43 5.658 5.012 -1.407 1.00 0.00 C ATOM 599 CD2 PHE A 43 5.319 2.790 -2.110 1.00 0.00 C ATOM 600 CE1 PHE A 43 6.501 5.238 -2.527 1.00 0.00 C ATOM 601 CE2 PHE A 43 6.162 3.016 -3.230 1.00 0.00 C ATOM 602 CZ PHE A 43 6.735 4.235 -3.415 1.00 0.00 C ATOM 0 H PHE A 43 4.600 5.510 1.379 1.00 0.00 H new ATOM 0 HA PHE A 43 2.670 4.950 -0.750 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.791 3.481 0.882 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.680 2.586 -0.135 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.472 5.809 -0.702 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.864 1.822 -1.963 1.00 0.00 H new ATOM 0 HE1 PHE A 43 6.956 6.206 -2.674 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.348 2.219 -3.935 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.376 4.407 -4.267 1.00 0.00 H new ATOM 612 N SER A 44 1.167 4.974 1.572 1.00 0.00 N ATOM 613 CA SER A 44 0.059 4.584 2.427 1.00 0.00 C ATOM 614 C SER A 44 -1.234 5.240 1.939 1.00 0.00 C ATOM 615 O SER A 44 -1.504 6.398 2.254 1.00 0.00 O ATOM 616 CB SER A 44 0.329 4.962 3.885 1.00 0.00 C ATOM 617 OG SER A 44 0.377 3.817 4.733 1.00 0.00 O ATOM 0 H SER A 44 1.240 5.977 1.399 1.00 0.00 H new ATOM 0 HA SER A 44 -0.049 3.501 2.375 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.274 5.502 3.951 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.450 5.640 4.234 1.00 0.00 H new ATOM 0 HG SER A 44 0.137 4.077 5.647 1.00 0.00 H new ATOM 623 N ALA A 45 -2.000 4.471 1.180 1.00 0.00 N ATOM 624 CA ALA A 45 -3.259 4.963 0.646 1.00 0.00 C ATOM 625 C ALA A 45 -4.404 4.091 1.165 1.00 0.00 C ATOM 626 O ALA A 45 -4.260 2.875 1.279 1.00 0.00 O ATOM 627 CB ALA A 45 -3.191 4.986 -0.883 1.00 0.00 C ATOM 0 H ALA A 45 -1.773 3.511 0.922 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.444 5.984 0.980 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -4.135 5.355 -1.284 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.381 5.642 -1.201 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.009 3.978 -1.254 1.00 0.00 H new ATOM 633 N THR A 46 -5.515 4.747 1.467 1.00 0.00 N ATOM 634 CA THR A 46 -6.684 4.047 1.971 1.00 0.00 C ATOM 635 C THR A 46 -7.820 4.099 0.948 1.00 0.00 C ATOM 636 O THR A 46 -8.494 5.119 0.815 1.00 0.00 O ATOM 637 CB THR A 46 -7.055 4.661 3.323 1.00 0.00 C ATOM 638 OG1 THR A 46 -6.025 4.217 4.201 1.00 0.00 O ATOM 639 CG2 THR A 46 -8.332 4.055 3.910 1.00 0.00 C ATOM 0 H THR A 46 -5.630 5.756 1.372 1.00 0.00 H new ATOM 0 HA THR A 46 -6.476 2.988 2.124 1.00 0.00 H new ATOM 0 HB THR A 46 -7.182 5.738 3.210 1.00 0.00 H new ATOM 0 HG1 THR A 46 -5.992 4.800 4.988 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.551 4.525 4.869 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.163 4.224 3.225 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.193 2.984 4.055 1.00 0.00 H new ATOM 647 N LEU A 47 -7.996 2.986 0.251 1.00 0.00 N ATOM 648 CA LEU A 47 -9.039 2.891 -0.757 1.00 0.00 C ATOM 649 C LEU A 47 -10.339 2.426 -0.098 1.00 0.00 C ATOM 650 O LEU A 47 -10.311 1.674 0.876 1.00 0.00 O ATOM 651 CB LEU A 47 -8.584 2.002 -1.916 1.00 0.00 C ATOM 652 CG LEU A 47 -8.139 2.730 -3.186 1.00 0.00 C ATOM 653 CD1 LEU A 47 -7.556 4.105 -2.853 1.00 0.00 C ATOM 654 CD2 LEU A 47 -7.162 1.874 -3.994 1.00 0.00 C ATOM 0 H LEU A 47 -7.434 2.142 0.364 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.236 3.870 -1.195 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -7.758 1.381 -1.569 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -9.402 1.329 -2.174 1.00 0.00 H new ATOM 0 HG LEU A 47 -9.016 2.895 -3.811 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.247 4.602 -3.773 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -8.312 4.709 -2.351 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.693 3.985 -2.198 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.861 2.414 -4.892 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.282 1.657 -3.389 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.646 0.940 -4.278 1.00 0.00 H new ATOM 666 N GLY A 48 -11.447 2.893 -0.654 1.00 0.00 N ATOM 667 CA GLY A 48 -12.755 2.534 -0.132 1.00 0.00 C ATOM 668 C GLY A 48 -13.743 2.262 -1.268 1.00 0.00 C ATOM 669 O GLY A 48 -13.840 3.045 -2.212 1.00 0.00 O ATOM 0 H GLY A 48 -11.466 3.517 -1.461 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -12.668 1.649 0.499 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -13.133 3.339 0.498 1.00 0.00 H new ATOM 673 N LEU A 49 -14.450 1.149 -1.141 1.00 0.00 N ATOM 674 CA LEU A 49 -15.427 0.764 -2.145 1.00 0.00 C ATOM 675 C LEU A 49 -16.705 0.287 -1.451 1.00 0.00 C ATOM 676 O LEU A 49 -16.644 -0.464 -0.479 1.00 0.00 O ATOM 677 CB LEU A 49 -14.830 -0.264 -3.108 1.00 0.00 C ATOM 678 CG LEU A 49 -15.516 -0.386 -4.470 1.00 0.00 C ATOM 679 CD1 LEU A 49 -16.647 -1.415 -4.423 1.00 0.00 C ATOM 680 CD2 LEU A 49 -16.003 0.978 -4.963 1.00 0.00 C ATOM 0 H LEU A 49 -14.366 0.501 -0.358 1.00 0.00 H new ATOM 0 HA LEU A 49 -15.699 1.622 -2.760 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -13.782 -0.012 -3.273 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -14.851 -1.241 -2.624 1.00 0.00 H new ATOM 0 HG LEU A 49 -14.782 -0.746 -5.191 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -17.118 -1.483 -5.403 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -16.242 -2.389 -4.147 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -17.388 -1.108 -3.685 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -16.487 0.863 -5.933 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -16.716 1.390 -4.249 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -15.154 1.655 -5.059 1.00 0.00 H new ATOM 692 N VAL A 50 -17.832 0.743 -1.978 1.00 0.00 N ATOM 693 CA VAL A 50 -19.122 0.372 -1.422 1.00 0.00 C ATOM 694 C VAL A 50 -20.152 0.281 -2.549 1.00 0.00 C ATOM 695 O VAL A 50 -20.174 1.124 -3.444 1.00 0.00 O ATOM 696 CB VAL A 50 -19.522 1.360 -0.324 1.00 0.00 C ATOM 697 CG1 VAL A 50 -18.636 2.607 -0.359 1.00 0.00 C ATOM 698 CG2 VAL A 50 -21.001 1.735 -0.438 1.00 0.00 C ATOM 0 H VAL A 50 -17.878 1.366 -2.784 1.00 0.00 H new ATOM 0 HA VAL A 50 -19.067 -0.610 -0.953 1.00 0.00 H new ATOM 0 HB VAL A 50 -19.373 0.871 0.638 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -18.941 3.293 0.431 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -17.596 2.319 -0.207 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -18.739 3.099 -1.326 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -21.260 2.438 0.354 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -21.186 2.197 -1.408 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -21.612 0.838 -0.341 1.00 0.00 H new ATOM 708 N ASP A 51 -20.980 -0.751 -2.470 1.00 0.00 N ATOM 709 CA ASP A 51 -22.010 -0.963 -3.472 1.00 0.00 C ATOM 710 C ASP A 51 -23.297 -0.264 -3.030 1.00 0.00 C ATOM 711 O ASP A 51 -23.633 -0.265 -1.847 1.00 0.00 O ATOM 712 CB ASP A 51 -22.314 -2.452 -3.643 1.00 0.00 C ATOM 713 CG ASP A 51 -22.357 -2.942 -5.092 1.00 0.00 C ATOM 714 OD1 ASP A 51 -23.351 -2.611 -5.773 1.00 0.00 O ATOM 715 OD2 ASP A 51 -21.394 -3.635 -5.485 1.00 0.00 O ATOM 0 H ASP A 51 -20.958 -1.449 -1.727 1.00 0.00 H new ATOM 0 HA ASP A 51 -21.649 -0.559 -4.418 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -21.560 -3.025 -3.104 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -23.274 -2.667 -3.174 1.00 0.00 H new ATOM 720 N ILE A 52 -23.983 0.315 -4.005 1.00 0.00 N ATOM 721 CA ILE A 52 -25.226 1.015 -3.731 1.00 0.00 C ATOM 722 C ILE A 52 -26.403 0.062 -3.949 1.00 0.00 C ATOM 723 O ILE A 52 -27.414 0.148 -3.254 1.00 0.00 O ATOM 724 CB ILE A 52 -25.313 2.298 -4.560 1.00 0.00 C ATOM 725 CG1 ILE A 52 -26.697 2.938 -4.437 1.00 0.00 C ATOM 726 CG2 ILE A 52 -24.930 2.035 -6.018 1.00 0.00 C ATOM 727 CD1 ILE A 52 -26.798 3.787 -3.168 1.00 0.00 C ATOM 0 H ILE A 52 -23.701 0.313 -4.985 1.00 0.00 H new ATOM 0 HA ILE A 52 -25.261 1.333 -2.689 1.00 0.00 H new ATOM 0 HB ILE A 52 -24.592 3.012 -4.161 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -26.893 3.559 -5.311 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -27.461 2.161 -4.420 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -25.000 2.963 -6.586 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -23.908 1.658 -6.063 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -25.608 1.296 -6.445 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -27.792 4.230 -3.105 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -26.625 3.158 -2.295 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -26.049 4.578 -3.199 1.00 0.00 H new ATOM 739 N VAL A 53 -26.232 -0.826 -4.918 1.00 0.00 N ATOM 740 CA VAL A 53 -27.267 -1.795 -5.236 1.00 0.00 C ATOM 741 C VAL A 53 -27.171 -2.975 -4.267 1.00 0.00 C ATOM 742 O VAL A 53 -28.104 -3.239 -3.510 1.00 0.00 O ATOM 743 CB VAL A 53 -27.156 -2.216 -6.703 1.00 0.00 C ATOM 744 CG1 VAL A 53 -27.734 -3.616 -6.917 1.00 0.00 C ATOM 745 CG2 VAL A 53 -27.835 -1.196 -7.619 1.00 0.00 C ATOM 0 H VAL A 53 -25.392 -0.895 -5.493 1.00 0.00 H new ATOM 0 HA VAL A 53 -28.255 -1.352 -5.112 1.00 0.00 H new ATOM 0 HB VAL A 53 -26.098 -2.247 -6.963 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -27.643 -3.891 -7.968 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -27.186 -4.333 -6.306 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -28.786 -3.623 -6.630 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -27.742 -1.519 -8.656 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -28.890 -1.117 -7.357 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -27.358 -0.224 -7.498 1.00 0.00 H new ATOM 755 N LYS A 54 -26.034 -3.653 -4.321 1.00 0.00 N ATOM 756 CA LYS A 54 -25.803 -4.798 -3.457 1.00 0.00 C ATOM 757 C LYS A 54 -25.803 -4.339 -1.997 1.00 0.00 C ATOM 758 O LYS A 54 -25.889 -5.159 -1.085 1.00 0.00 O ATOM 759 CB LYS A 54 -24.527 -5.533 -3.870 1.00 0.00 C ATOM 760 CG LYS A 54 -24.702 -6.214 -5.230 1.00 0.00 C ATOM 761 CD LYS A 54 -24.898 -7.723 -5.066 1.00 0.00 C ATOM 762 CE LYS A 54 -26.381 -8.072 -4.930 1.00 0.00 C ATOM 763 NZ LYS A 54 -26.898 -8.640 -6.195 1.00 0.00 N ATOM 0 H LYS A 54 -25.262 -3.431 -4.950 1.00 0.00 H new ATOM 0 HA LYS A 54 -26.610 -5.523 -3.564 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -23.696 -4.829 -3.916 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -24.272 -6.278 -3.116 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -25.561 -5.786 -5.747 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -23.828 -6.023 -5.852 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -24.476 -8.244 -5.925 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -24.357 -8.070 -4.186 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -26.519 -8.788 -4.120 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -26.948 -7.179 -4.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -27.906 -8.871 -6.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -26.784 -7.945 -6.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -26.368 -9.504 -6.430 1.00 0.00 H new ATOM 777 N GLY A 55 -25.706 -3.029 -1.823 1.00 0.00 N ATOM 778 CA GLY A 55 -25.693 -2.451 -0.490 1.00 0.00 C ATOM 779 C GLY A 55 -24.574 -3.057 0.360 1.00 0.00 C ATOM 780 O GLY A 55 -24.732 -3.231 1.567 1.00 0.00 O ATOM 0 H GLY A 55 -25.636 -2.352 -2.583 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -25.558 -1.372 -0.559 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -26.655 -2.622 -0.006 1.00 0.00 H new ATOM 784 N THR A 56 -23.468 -3.360 -0.304 1.00 0.00 N ATOM 785 CA THR A 56 -22.324 -3.943 0.375 1.00 0.00 C ATOM 786 C THR A 56 -21.152 -2.960 0.384 1.00 0.00 C ATOM 787 O THR A 56 -20.687 -2.533 -0.672 1.00 0.00 O ATOM 788 CB THR A 56 -21.996 -5.273 -0.306 1.00 0.00 C ATOM 789 OG1 THR A 56 -22.021 -4.966 -1.697 1.00 0.00 O ATOM 790 CG2 THR A 56 -23.109 -6.309 -0.133 1.00 0.00 C ATOM 0 H THR A 56 -23.340 -3.213 -1.305 1.00 0.00 H new ATOM 0 HA THR A 56 -22.547 -4.145 1.423 1.00 0.00 H new ATOM 0 HB THR A 56 -21.065 -5.669 0.100 1.00 0.00 H new ATOM 0 HG1 THR A 56 -21.817 -5.773 -2.214 1.00 0.00 H new ATOM 0 HG21 THR A 56 -22.826 -7.234 -0.635 1.00 0.00 H new ATOM 0 HG22 THR A 56 -23.263 -6.504 0.928 1.00 0.00 H new ATOM 0 HG23 THR A 56 -24.032 -5.927 -0.569 1.00 0.00 H new ATOM 798 N ASN A 57 -20.707 -2.629 1.587 1.00 0.00 N ATOM 799 CA ASN A 57 -19.598 -1.704 1.747 1.00 0.00 C ATOM 800 C ASN A 57 -18.287 -2.491 1.807 1.00 0.00 C ATOM 801 O ASN A 57 -18.272 -3.647 2.227 1.00 0.00 O ATOM 802 CB ASN A 57 -19.729 -0.905 3.046 1.00 0.00 C ATOM 803 CG ASN A 57 -20.933 0.037 2.990 1.00 0.00 C ATOM 804 OD1 ASN A 57 -21.988 -0.290 2.471 1.00 0.00 O ATOM 805 ND2 ASN A 57 -20.718 1.223 3.553 1.00 0.00 N ATOM 0 H ASN A 57 -21.095 -2.985 2.461 1.00 0.00 H new ATOM 0 HA ASN A 57 -19.607 -1.019 0.899 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -19.836 -1.588 3.888 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -18.819 -0.329 3.216 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -21.460 1.923 3.568 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -19.811 1.433 3.970 1.00 0.00 H new ATOM 812 N SER A 58 -17.219 -1.833 1.382 1.00 0.00 N ATOM 813 CA SER A 58 -15.907 -2.457 1.382 1.00 0.00 C ATOM 814 C SER A 58 -14.820 -1.391 1.537 1.00 0.00 C ATOM 815 O SER A 58 -15.069 -0.209 1.307 1.00 0.00 O ATOM 816 CB SER A 58 -15.680 -3.263 0.101 1.00 0.00 C ATOM 817 OG SER A 58 -16.668 -4.274 -0.076 1.00 0.00 O ATOM 0 H SER A 58 -17.235 -0.874 1.035 1.00 0.00 H new ATOM 0 HA SER A 58 -15.856 -3.145 2.226 1.00 0.00 H new ATOM 0 HB2 SER A 58 -15.691 -2.591 -0.757 1.00 0.00 H new ATOM 0 HB3 SER A 58 -14.692 -3.723 0.132 1.00 0.00 H new ATOM 0 HG SER A 58 -16.489 -4.765 -0.905 1.00 0.00 H new ATOM 823 N TYR A 59 -13.639 -1.848 1.928 1.00 0.00 N ATOM 824 CA TYR A 59 -12.514 -0.948 2.117 1.00 0.00 C ATOM 825 C TYR A 59 -11.188 -1.670 1.869 1.00 0.00 C ATOM 826 O TYR A 59 -10.950 -2.745 2.416 1.00 0.00 O ATOM 827 CB TYR A 59 -12.573 -0.502 3.579 1.00 0.00 C ATOM 828 CG TYR A 59 -12.209 -1.600 4.580 1.00 0.00 C ATOM 829 CD1 TYR A 59 -10.883 -1.889 4.836 1.00 0.00 C ATOM 830 CD2 TYR A 59 -13.205 -2.301 5.228 1.00 0.00 C ATOM 831 CE1 TYR A 59 -10.541 -2.923 5.778 1.00 0.00 C ATOM 832 CE2 TYR A 59 -12.862 -3.335 6.170 1.00 0.00 C ATOM 833 CZ TYR A 59 -11.547 -3.594 6.399 1.00 0.00 C ATOM 834 OH TYR A 59 -11.223 -4.571 7.289 1.00 0.00 O ATOM 0 H TYR A 59 -13.437 -2.829 2.119 1.00 0.00 H new ATOM 0 HA TYR A 59 -12.570 -0.110 1.422 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -11.896 0.341 3.718 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -13.579 -0.143 3.798 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.103 -1.340 4.330 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -14.242 -2.074 5.029 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.508 -3.160 5.987 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -13.632 -3.892 6.683 1.00 0.00 H new ATOM 0 HH TYR A 59 -12.042 -4.964 7.656 1.00 0.00 H new ATOM 844 N TYR A 60 -10.358 -1.048 1.044 1.00 0.00 N ATOM 845 CA TYR A 60 -9.062 -1.617 0.717 1.00 0.00 C ATOM 846 C TYR A 60 -7.929 -0.685 1.150 1.00 0.00 C ATOM 847 O TYR A 60 -7.877 0.471 0.733 1.00 0.00 O ATOM 848 CB TYR A 60 -9.036 -1.759 -0.806 1.00 0.00 C ATOM 849 CG TYR A 60 -7.754 -2.393 -1.350 1.00 0.00 C ATOM 850 CD1 TYR A 60 -6.663 -1.600 -1.645 1.00 0.00 C ATOM 851 CD2 TYR A 60 -7.689 -3.757 -1.546 1.00 0.00 C ATOM 852 CE1 TYR A 60 -5.457 -2.197 -2.157 1.00 0.00 C ATOM 853 CE2 TYR A 60 -6.482 -4.354 -2.058 1.00 0.00 C ATOM 854 CZ TYR A 60 -5.426 -3.545 -2.338 1.00 0.00 C ATOM 855 OH TYR A 60 -4.287 -4.109 -2.822 1.00 0.00 O ATOM 0 H TYR A 60 -10.558 -0.156 0.592 1.00 0.00 H new ATOM 0 HA TYR A 60 -8.921 -2.569 1.228 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -9.888 -2.362 -1.119 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -9.161 -0.773 -1.255 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.714 -0.532 -1.492 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -8.543 -4.377 -1.316 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -4.596 -1.588 -2.392 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -6.418 -5.420 -2.216 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.398 -5.082 -2.869 1.00 0.00 H new ATOM 865 N LYS A 61 -7.049 -1.222 1.983 1.00 0.00 N ATOM 866 CA LYS A 61 -5.920 -0.453 2.477 1.00 0.00 C ATOM 867 C LYS A 61 -4.630 -0.989 1.853 1.00 0.00 C ATOM 868 O LYS A 61 -4.428 -2.200 1.782 1.00 0.00 O ATOM 869 CB LYS A 61 -5.906 -0.445 4.007 1.00 0.00 C ATOM 870 CG LYS A 61 -6.049 0.978 4.550 1.00 0.00 C ATOM 871 CD LYS A 61 -4.791 1.802 4.266 1.00 0.00 C ATOM 872 CE LYS A 61 -4.390 2.628 5.490 1.00 0.00 C ATOM 873 NZ LYS A 61 -3.464 3.715 5.101 1.00 0.00 N ATOM 0 H LYS A 61 -7.096 -2.181 2.328 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.010 0.591 2.176 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.719 -1.065 4.385 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.976 -0.884 4.368 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.914 1.460 4.094 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.232 0.945 5.624 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.973 1.139 3.986 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.969 2.464 3.418 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.279 3.050 5.958 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.914 1.985 6.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.057 4.147 5.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.700 3.326 4.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.983 4.437 4.562 1.00 0.00 H new ATOM 887 N LEU A 62 -3.792 -0.061 1.416 1.00 0.00 N ATOM 888 CA LEU A 62 -2.527 -0.426 0.800 1.00 0.00 C ATOM 889 C LEU A 62 -1.383 0.255 1.554 1.00 0.00 C ATOM 890 O LEU A 62 -1.503 1.409 1.962 1.00 0.00 O ATOM 891 CB LEU A 62 -2.550 -0.111 -0.697 1.00 0.00 C ATOM 892 CG LEU A 62 -1.540 -0.872 -1.558 1.00 0.00 C ATOM 893 CD1 LEU A 62 -2.002 -2.309 -1.806 1.00 0.00 C ATOM 894 CD2 LEU A 62 -1.261 -0.126 -2.865 1.00 0.00 C ATOM 0 H LEU A 62 -3.964 0.943 1.476 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.363 -1.501 0.874 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.550 -0.319 -1.076 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.376 0.957 -0.826 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.599 -0.927 -1.011 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.266 -2.827 -2.420 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.108 -2.827 -0.853 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.962 -2.299 -2.322 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.540 -0.688 -3.458 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.188 -0.018 -3.428 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.856 0.861 -2.641 1.00 0.00 H new ATOM 906 N GLN A 63 -0.298 -0.489 1.715 1.00 0.00 N ATOM 907 CA GLN A 63 0.867 0.028 2.413 1.00 0.00 C ATOM 908 C GLN A 63 2.123 -0.733 1.985 1.00 0.00 C ATOM 909 O GLN A 63 2.173 -1.958 2.078 1.00 0.00 O ATOM 910 CB GLN A 63 0.674 -0.041 3.929 1.00 0.00 C ATOM 911 CG GLN A 63 -0.539 0.783 4.366 1.00 0.00 C ATOM 912 CD GLN A 63 -0.580 0.934 5.888 1.00 0.00 C ATOM 913 OE1 GLN A 63 -1.343 0.281 6.582 1.00 0.00 O ATOM 914 NE2 GLN A 63 0.280 1.828 6.367 1.00 0.00 N ATOM 0 H GLN A 63 -0.201 -1.445 1.374 1.00 0.00 H new ATOM 0 HA GLN A 63 0.992 1.077 2.143 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.543 -1.079 4.235 1.00 0.00 H new ATOM 0 HB3 GLN A 63 1.569 0.328 4.430 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.501 1.768 3.900 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.454 0.302 4.020 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.891 2.340 5.730 1.00 0.00 H new ATOM 0 HE22 GLN A 63 0.329 2.001 7.371 1.00 0.00 H new ATOM 923 N LEU A 64 3.107 0.025 1.524 1.00 0.00 N ATOM 924 CA LEU A 64 4.360 -0.562 1.081 1.00 0.00 C ATOM 925 C LEU A 64 5.428 -0.344 2.155 1.00 0.00 C ATOM 926 O LEU A 64 6.000 0.740 2.254 1.00 0.00 O ATOM 927 CB LEU A 64 4.750 -0.018 -0.294 1.00 0.00 C ATOM 928 CG LEU A 64 5.761 -0.853 -1.084 1.00 0.00 C ATOM 929 CD1 LEU A 64 6.209 -0.119 -2.349 1.00 0.00 C ATOM 930 CD2 LEU A 64 6.946 -1.256 -0.204 1.00 0.00 C ATOM 0 H LEU A 64 3.062 1.041 1.448 1.00 0.00 H new ATOM 0 HA LEU A 64 4.252 -1.639 0.953 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.845 0.083 -0.893 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.159 0.984 -0.164 1.00 0.00 H new ATOM 0 HG LEU A 64 5.270 -1.772 -1.403 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.927 -0.734 -2.892 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.344 0.074 -2.983 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.676 0.827 -2.075 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.649 -1.848 -0.790 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.446 -0.361 0.166 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.589 -1.847 0.640 1.00 0.00 H new ATOM 942 N LEU A 65 5.665 -1.392 2.930 1.00 0.00 N ATOM 943 CA LEU A 65 6.655 -1.328 3.992 1.00 0.00 C ATOM 944 C LEU A 65 8.053 -1.484 3.391 1.00 0.00 C ATOM 945 O LEU A 65 8.228 -2.176 2.389 1.00 0.00 O ATOM 946 CB LEU A 65 6.337 -2.353 5.083 1.00 0.00 C ATOM 947 CG LEU A 65 4.859 -2.511 5.445 1.00 0.00 C ATOM 948 CD1 LEU A 65 4.647 -3.702 6.381 1.00 0.00 C ATOM 949 CD2 LEU A 65 4.296 -1.214 6.031 1.00 0.00 C ATOM 0 H LEU A 65 5.189 -2.290 2.844 1.00 0.00 H new ATOM 0 HA LEU A 65 6.625 -0.355 4.482 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.718 -3.323 4.764 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.884 -2.076 5.984 1.00 0.00 H new ATOM 0 HG LEU A 65 4.304 -2.719 4.530 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.588 -3.791 6.622 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.986 -4.615 5.891 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.216 -3.550 7.298 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.244 -1.354 6.280 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.850 -0.951 6.932 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.392 -0.412 5.299 1.00 0.00 H new ATOM 961 N GLU A 66 9.013 -0.829 4.028 1.00 0.00 N ATOM 962 CA GLU A 66 10.390 -0.886 3.568 1.00 0.00 C ATOM 963 C GLU A 66 11.333 -1.137 4.747 1.00 0.00 C ATOM 964 O GLU A 66 11.236 -0.471 5.776 1.00 0.00 O ATOM 965 CB GLU A 66 10.772 0.394 2.822 1.00 0.00 C ATOM 966 CG GLU A 66 12.286 0.476 2.615 1.00 0.00 C ATOM 967 CD GLU A 66 12.683 1.818 1.997 1.00 0.00 C ATOM 968 OE1 GLU A 66 12.336 2.850 2.610 1.00 0.00 O ATOM 969 OE2 GLU A 66 13.324 1.781 0.924 1.00 0.00 O ATOM 0 H GLU A 66 8.864 -0.256 4.859 1.00 0.00 H new ATOM 0 HA GLU A 66 10.486 -1.717 2.869 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.267 0.421 1.856 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.431 1.263 3.385 1.00 0.00 H new ATOM 0 HG2 GLU A 66 12.795 0.347 3.570 1.00 0.00 H new ATOM 0 HG3 GLU A 66 12.613 -0.338 1.967 1.00 0.00 H new ATOM 976 N ASP A 67 12.224 -2.099 4.556 1.00 0.00 N ATOM 977 CA ASP A 67 13.183 -2.446 5.590 1.00 0.00 C ATOM 978 C ASP A 67 14.040 -1.221 5.916 1.00 0.00 C ATOM 979 O ASP A 67 14.401 -0.456 5.023 1.00 0.00 O ATOM 980 CB ASP A 67 14.116 -3.565 5.123 1.00 0.00 C ATOM 981 CG ASP A 67 15.044 -4.127 6.203 1.00 0.00 C ATOM 982 OD1 ASP A 67 15.172 -3.453 7.248 1.00 0.00 O ATOM 983 OD2 ASP A 67 15.603 -5.218 5.959 1.00 0.00 O ATOM 0 H ASP A 67 12.302 -2.649 3.700 1.00 0.00 H new ATOM 0 HA ASP A 67 12.628 -2.782 6.466 1.00 0.00 H new ATOM 0 HB2 ASP A 67 13.511 -4.380 4.725 1.00 0.00 H new ATOM 0 HB3 ASP A 67 14.725 -3.190 4.301 1.00 0.00 H new ATOM 988 N ASP A 68 14.342 -1.074 7.198 1.00 0.00 N ATOM 989 CA ASP A 68 15.150 0.045 7.653 1.00 0.00 C ATOM 990 C ASP A 68 16.558 -0.451 7.986 1.00 0.00 C ATOM 991 O ASP A 68 17.191 0.045 8.917 1.00 0.00 O ATOM 992 CB ASP A 68 14.559 0.673 8.917 1.00 0.00 C ATOM 993 CG ASP A 68 14.060 -0.326 9.963 1.00 0.00 C ATOM 994 OD1 ASP A 68 14.450 -1.508 9.850 1.00 0.00 O ATOM 995 OD2 ASP A 68 13.300 0.116 10.852 1.00 0.00 O ATOM 0 H ASP A 68 14.042 -1.711 7.936 1.00 0.00 H new ATOM 0 HA ASP A 68 15.174 0.790 6.857 1.00 0.00 H new ATOM 0 HB2 ASP A 68 15.315 1.309 9.376 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.730 1.320 8.630 1.00 0.00 H new ATOM 1051 N ARG A 72 14.628 -4.948 1.936 1.00 0.00 N ATOM 1052 CA ARG A 72 13.503 -5.836 2.177 1.00 0.00 C ATOM 1053 C ARG A 72 12.204 -5.033 2.270 1.00 0.00 C ATOM 1054 O ARG A 72 12.134 -4.042 2.996 1.00 0.00 O ATOM 1055 CB ARG A 72 13.697 -6.632 3.468 1.00 0.00 C ATOM 1056 CG ARG A 72 13.754 -8.134 3.183 1.00 0.00 C ATOM 1057 CD ARG A 72 14.063 -8.923 4.457 1.00 0.00 C ATOM 1058 NE ARG A 72 15.467 -9.389 4.436 1.00 0.00 N ATOM 1059 CZ ARG A 72 15.895 -10.453 3.742 1.00 0.00 C ATOM 1060 NH1 ARG A 72 15.031 -11.166 3.008 1.00 0.00 N ATOM 1061 NH2 ARG A 72 17.188 -10.802 3.781 1.00 0.00 N ATOM 0 HA ARG A 72 13.444 -6.532 1.340 1.00 0.00 H new ATOM 0 HB2 ARG A 72 14.617 -6.316 3.959 1.00 0.00 H new ATOM 0 HB3 ARG A 72 12.879 -6.420 4.157 1.00 0.00 H new ATOM 0 HG2 ARG A 72 12.802 -8.465 2.768 1.00 0.00 H new ATOM 0 HG3 ARG A 72 14.517 -8.336 2.432 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.892 -8.297 5.333 1.00 0.00 H new ATOM 0 HD3 ARG A 72 13.389 -9.776 4.539 1.00 0.00 H new ATOM 0 HE ARG A 72 16.152 -8.868 4.984 1.00 0.00 H new ATOM 0 HH11 ARG A 72 14.047 -10.899 2.977 1.00 0.00 H new ATOM 0 HH12 ARG A 72 15.357 -11.976 2.480 1.00 0.00 H new ATOM 0 HH21 ARG A 72 17.846 -10.258 4.339 1.00 0.00 H new ATOM 0 HH22 ARG A 72 17.514 -11.612 3.253 1.00 0.00 H new ATOM 1075 N TYR A 73 11.208 -5.491 1.527 1.00 0.00 N ATOM 1076 CA TYR A 73 9.915 -4.828 1.517 1.00 0.00 C ATOM 1077 C TYR A 73 8.777 -5.844 1.630 1.00 0.00 C ATOM 1078 O TYR A 73 8.989 -7.042 1.450 1.00 0.00 O ATOM 1079 CB TYR A 73 9.816 -4.117 0.166 1.00 0.00 C ATOM 1080 CG TYR A 73 10.863 -3.021 -0.039 1.00 0.00 C ATOM 1081 CD1 TYR A 73 12.191 -3.357 -0.203 1.00 0.00 C ATOM 1082 CD2 TYR A 73 10.479 -1.695 -0.060 1.00 0.00 C ATOM 1083 CE1 TYR A 73 13.177 -2.325 -0.396 1.00 0.00 C ATOM 1084 CE2 TYR A 73 11.464 -0.663 -0.253 1.00 0.00 C ATOM 1085 CZ TYR A 73 12.765 -1.029 -0.412 1.00 0.00 C ATOM 1086 OH TYR A 73 13.695 -0.054 -0.594 1.00 0.00 O ATOM 0 H TYR A 73 11.270 -6.314 0.927 1.00 0.00 H new ATOM 0 HA TYR A 73 9.830 -4.140 2.358 1.00 0.00 H new ATOM 0 HB2 TYR A 73 9.917 -4.855 -0.630 1.00 0.00 H new ATOM 0 HB3 TYR A 73 8.823 -3.679 0.070 1.00 0.00 H new ATOM 0 HD1 TYR A 73 12.491 -4.394 -0.187 1.00 0.00 H new ATOM 0 HD2 TYR A 73 9.439 -1.432 0.068 1.00 0.00 H new ATOM 0 HE1 TYR A 73 14.220 -2.575 -0.525 1.00 0.00 H new ATOM 0 HE2 TYR A 73 11.177 0.378 -0.271 1.00 0.00 H new ATOM 0 HH TYR A 73 13.863 0.401 0.258 1.00 0.00 H new ATOM 1096 N TRP A 74 7.593 -5.328 1.929 1.00 0.00 N ATOM 1097 CA TRP A 74 6.421 -6.176 2.068 1.00 0.00 C ATOM 1098 C TRP A 74 5.231 -5.442 1.447 1.00 0.00 C ATOM 1099 O TRP A 74 5.146 -4.217 1.518 1.00 0.00 O ATOM 1100 CB TRP A 74 6.191 -6.556 3.532 1.00 0.00 C ATOM 1101 CG TRP A 74 7.192 -7.578 4.075 1.00 0.00 C ATOM 1102 CD1 TRP A 74 7.097 -8.914 4.060 1.00 0.00 C ATOM 1103 CD2 TRP A 74 8.453 -7.290 4.716 1.00 0.00 C ATOM 1104 NE1 TRP A 74 8.198 -9.506 4.643 1.00 0.00 N ATOM 1105 CE2 TRP A 74 9.049 -8.487 5.055 1.00 0.00 C ATOM 1106 CE3 TRP A 74 9.068 -6.058 5.001 1.00 0.00 C ATOM 1107 CZ2 TRP A 74 10.291 -8.571 5.696 1.00 0.00 C ATOM 1108 CZ3 TRP A 74 10.308 -6.159 5.642 1.00 0.00 C ATOM 1109 CH2 TRP A 74 10.922 -7.356 5.990 1.00 0.00 C ATOM 0 H TRP A 74 7.421 -4.334 2.079 1.00 0.00 H new ATOM 0 HA TRP A 74 6.562 -7.120 1.541 1.00 0.00 H new ATOM 0 HB2 TRP A 74 6.241 -5.654 4.143 1.00 0.00 H new ATOM 0 HB3 TRP A 74 5.183 -6.958 3.638 1.00 0.00 H new ATOM 0 HD1 TRP A 74 6.263 -9.459 3.644 1.00 0.00 H new ATOM 0 HE1 TRP A 74 8.358 -10.507 4.752 1.00 0.00 H new ATOM 0 HE3 TRP A 74 8.619 -5.109 4.746 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 10.738 -9.521 5.950 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 10.824 -5.242 5.883 1.00 0.00 H new ATOM 0 HH2 TRP A 74 11.882 -7.349 6.485 1.00 0.00 H new ATOM 1120 N ILE A 75 4.341 -6.223 0.851 1.00 0.00 N ATOM 1121 CA ILE A 75 3.160 -5.663 0.218 1.00 0.00 C ATOM 1122 C ILE A 75 1.923 -6.026 1.043 1.00 0.00 C ATOM 1123 O ILE A 75 1.387 -7.125 0.914 1.00 0.00 O ATOM 1124 CB ILE A 75 3.075 -6.106 -1.244 1.00 0.00 C ATOM 1125 CG1 ILE A 75 4.108 -5.371 -2.101 1.00 0.00 C ATOM 1126 CG2 ILE A 75 1.655 -5.935 -1.787 1.00 0.00 C ATOM 1127 CD1 ILE A 75 3.662 -3.936 -2.387 1.00 0.00 C ATOM 0 H ILE A 75 4.415 -7.239 0.794 1.00 0.00 H new ATOM 0 HA ILE A 75 3.220 -4.575 0.195 1.00 0.00 H new ATOM 0 HB ILE A 75 3.313 -7.169 -1.293 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.070 -5.361 -1.589 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.252 -5.905 -3.040 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.622 -6.257 -2.828 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.965 -6.539 -1.198 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.365 -4.886 -1.722 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.414 -3.436 -2.998 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.712 -3.950 -2.921 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.542 -3.398 -1.447 1.00 0.00 H new ATOM 1139 N PHE A 76 1.507 -5.080 1.873 1.00 0.00 N ATOM 1140 CA PHE A 76 0.344 -5.286 2.719 1.00 0.00 C ATOM 1141 C PHE A 76 -0.933 -4.815 2.020 1.00 0.00 C ATOM 1142 O PHE A 76 -1.056 -3.642 1.670 1.00 0.00 O ATOM 1143 CB PHE A 76 0.557 -4.452 3.983 1.00 0.00 C ATOM 1144 CG PHE A 76 -0.581 -4.561 5.000 1.00 0.00 C ATOM 1145 CD1 PHE A 76 -0.618 -5.606 5.870 1.00 0.00 C ATOM 1146 CD2 PHE A 76 -1.555 -3.613 5.034 1.00 0.00 C ATOM 1147 CE1 PHE A 76 -1.674 -5.707 6.814 1.00 0.00 C ATOM 1148 CE2 PHE A 76 -2.611 -3.714 5.978 1.00 0.00 C ATOM 1149 CZ PHE A 76 -2.649 -4.759 6.848 1.00 0.00 C ATOM 0 H PHE A 76 1.955 -4.169 1.977 1.00 0.00 H new ATOM 0 HA PHE A 76 0.232 -6.346 2.946 1.00 0.00 H new ATOM 0 HB2 PHE A 76 1.487 -4.763 4.459 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.678 -3.406 3.700 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.156 -6.359 5.843 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.526 -2.783 4.343 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -1.703 -6.537 7.505 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -3.384 -2.961 6.005 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.453 -4.836 7.565 1.00 0.00 H new ATOM 1159 N ARG A 77 -1.851 -5.753 1.838 1.00 0.00 N ATOM 1160 CA ARG A 77 -3.114 -5.447 1.188 1.00 0.00 C ATOM 1161 C ARG A 77 -4.284 -5.920 2.053 1.00 0.00 C ATOM 1162 O ARG A 77 -4.461 -7.119 2.263 1.00 0.00 O ATOM 1163 CB ARG A 77 -3.202 -6.116 -0.186 1.00 0.00 C ATOM 1164 CG ARG A 77 -1.810 -6.310 -0.791 1.00 0.00 C ATOM 1165 CD ARG A 77 -1.888 -7.087 -2.106 1.00 0.00 C ATOM 1166 NE ARG A 77 -1.066 -8.315 -2.018 1.00 0.00 N ATOM 1167 CZ ARG A 77 -1.016 -9.256 -2.971 1.00 0.00 C ATOM 1168 NH1 ARG A 77 -1.741 -9.116 -4.089 1.00 0.00 N ATOM 1169 NH2 ARG A 77 -0.243 -10.337 -2.805 1.00 0.00 N ATOM 0 H ARG A 77 -1.745 -6.725 2.129 1.00 0.00 H new ATOM 0 HA ARG A 77 -3.167 -4.366 1.058 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.700 -7.081 -0.093 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -3.811 -5.506 -0.853 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -1.347 -5.339 -0.965 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -1.174 -6.845 -0.085 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -2.924 -7.348 -2.323 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -1.537 -6.463 -2.928 1.00 0.00 H new ATOM 0 HE ARG A 77 -0.502 -8.454 -1.179 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -2.331 -8.293 -4.215 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -1.703 -9.832 -4.814 1.00 0.00 H new ATOM 0 HH21 ARG A 77 0.308 -10.444 -1.953 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -0.205 -11.053 -3.530 1.00 0.00 H new ATOM 1183 N SER A 78 -5.053 -4.953 2.531 1.00 0.00 N ATOM 1184 CA SER A 78 -6.201 -5.255 3.369 1.00 0.00 C ATOM 1185 C SER A 78 -7.493 -5.087 2.566 1.00 0.00 C ATOM 1186 O SER A 78 -7.577 -4.227 1.691 1.00 0.00 O ATOM 1187 CB SER A 78 -6.228 -4.361 4.610 1.00 0.00 C ATOM 1188 OG SER A 78 -7.100 -3.246 4.446 1.00 0.00 O ATOM 0 H SER A 78 -4.904 -3.960 2.354 1.00 0.00 H new ATOM 0 HA SER A 78 -6.119 -6.290 3.702 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.547 -4.947 5.472 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.220 -4.005 4.822 1.00 0.00 H new ATOM 0 HG SER A 78 -7.228 -2.801 5.310 1.00 0.00 H new ATOM 1194 N TRP A 79 -8.468 -5.923 2.893 1.00 0.00 N ATOM 1195 CA TRP A 79 -9.751 -5.878 2.213 1.00 0.00 C ATOM 1196 C TRP A 79 -10.807 -6.456 3.157 1.00 0.00 C ATOM 1197 O TRP A 79 -10.471 -7.038 4.188 1.00 0.00 O ATOM 1198 CB TRP A 79 -9.686 -6.608 0.870 1.00 0.00 C ATOM 1199 CG TRP A 79 -9.330 -8.092 0.985 1.00 0.00 C ATOM 1200 CD1 TRP A 79 -10.107 -9.096 1.412 1.00 0.00 C ATOM 1201 CD2 TRP A 79 -8.066 -8.701 0.649 1.00 0.00 C ATOM 1202 NE1 TRP A 79 -9.439 -10.303 1.376 1.00 0.00 N ATOM 1203 CE2 TRP A 79 -8.158 -10.055 0.897 1.00 0.00 C ATOM 1204 CE3 TRP A 79 -6.883 -8.126 0.151 1.00 0.00 C ATOM 1205 CZ2 TRP A 79 -7.103 -10.948 0.678 1.00 0.00 C ATOM 1206 CZ3 TRP A 79 -5.837 -9.032 -0.062 1.00 0.00 C ATOM 1207 CH2 TRP A 79 -5.914 -10.398 0.183 1.00 0.00 C ATOM 0 H TRP A 79 -8.395 -6.635 3.620 1.00 0.00 H new ATOM 0 HA TRP A 79 -10.024 -4.850 1.973 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -10.650 -6.514 0.370 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.948 -6.116 0.236 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -11.128 -8.976 1.743 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -9.816 -11.210 1.650 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -6.789 -7.069 -0.051 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -7.201 -12.004 0.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -4.905 -8.642 -0.443 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -5.061 -11.032 -0.007 1.00 0.00 H new ATOM 1218 N GLY A 80 -12.062 -6.275 2.773 1.00 0.00 N ATOM 1219 CA GLY A 80 -13.169 -6.771 3.572 1.00 0.00 C ATOM 1220 C GLY A 80 -14.271 -5.717 3.698 1.00 0.00 C ATOM 1221 O GLY A 80 -14.017 -4.526 3.525 1.00 0.00 O ATOM 0 H GLY A 80 -12.337 -5.791 1.918 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -13.575 -7.674 3.116 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.811 -7.048 4.564 1.00 0.00 H new ATOM 1225 N ARG A 81 -15.470 -6.193 3.998 1.00 0.00 N ATOM 1226 CA ARG A 81 -16.611 -5.307 4.148 1.00 0.00 C ATOM 1227 C ARG A 81 -16.403 -4.372 5.341 1.00 0.00 C ATOM 1228 O ARG A 81 -15.634 -4.681 6.250 1.00 0.00 O ATOM 1229 CB ARG A 81 -17.903 -6.101 4.351 1.00 0.00 C ATOM 1230 CG ARG A 81 -18.717 -6.165 3.057 1.00 0.00 C ATOM 1231 CD ARG A 81 -19.429 -7.512 2.922 1.00 0.00 C ATOM 1232 NE ARG A 81 -19.118 -8.120 1.609 1.00 0.00 N ATOM 1233 CZ ARG A 81 -19.777 -9.164 1.090 1.00 0.00 C ATOM 1234 NH1 ARG A 81 -20.788 -9.724 1.769 1.00 0.00 N ATOM 1235 NH2 ARG A 81 -19.426 -9.650 -0.109 1.00 0.00 N ATOM 0 H ARG A 81 -15.676 -7.182 4.141 1.00 0.00 H new ATOM 0 HA ARG A 81 -16.698 -4.721 3.233 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -17.665 -7.111 4.685 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -18.499 -5.638 5.137 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -19.451 -5.359 3.045 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -18.059 -6.010 2.202 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -19.116 -8.180 3.724 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -20.506 -7.375 3.023 1.00 0.00 H new ATOM 0 HE ARG A 81 -18.354 -7.719 1.065 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -21.056 -9.355 2.681 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -21.290 -10.519 1.373 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -18.657 -9.225 -0.626 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -19.928 -10.445 -0.504 1.00 0.00 H new ATOM 1328 N SER A 88 -9.519 -9.338 6.012 1.00 0.00 N ATOM 1329 CA SER A 88 -8.256 -10.048 5.910 1.00 0.00 C ATOM 1330 C SER A 88 -7.214 -9.165 5.220 1.00 0.00 C ATOM 1331 O SER A 88 -7.542 -8.096 4.708 1.00 0.00 O ATOM 1332 CB SER A 88 -8.424 -11.365 5.149 1.00 0.00 C ATOM 1333 OG SER A 88 -8.552 -12.478 6.029 1.00 0.00 O ATOM 0 HA SER A 88 -7.914 -10.284 6.918 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.305 -11.305 4.510 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.566 -11.517 4.494 1.00 0.00 H new ATOM 0 HG SER A 88 -8.659 -13.299 5.505 1.00 0.00 H new ATOM 1339 N ASN A 89 -5.979 -9.645 5.229 1.00 0.00 N ATOM 1340 CA ASN A 89 -4.887 -8.913 4.611 1.00 0.00 C ATOM 1341 C ASN A 89 -3.970 -9.896 3.879 1.00 0.00 C ATOM 1342 O ASN A 89 -4.208 -11.102 3.895 1.00 0.00 O ATOM 1343 CB ASN A 89 -4.051 -8.179 5.661 1.00 0.00 C ATOM 1344 CG ASN A 89 -3.609 -9.132 6.774 1.00 0.00 C ATOM 1345 OD1 ASN A 89 -2.573 -9.899 6.449 1.00 0.00 O flip ATOM 1346 ND2 ASN A 89 -4.172 -9.168 7.856 1.00 0.00 N flip ATOM 0 H ASN A 89 -5.711 -10.532 5.655 1.00 0.00 H new ATOM 0 HA ASN A 89 -5.316 -8.187 3.921 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -3.175 -7.735 5.188 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -4.632 -7.361 6.087 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -4.963 -8.551 8.040 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -3.852 -9.815 8.576 1.00 0.00 H new ATOM 1353 N LYS A 90 -2.940 -9.342 3.256 1.00 0.00 N ATOM 1354 CA LYS A 90 -1.986 -10.154 2.520 1.00 0.00 C ATOM 1355 C LYS A 90 -0.579 -9.586 2.718 1.00 0.00 C ATOM 1356 O LYS A 90 -0.345 -8.402 2.481 1.00 0.00 O ATOM 1357 CB LYS A 90 -2.401 -10.270 1.052 1.00 0.00 C ATOM 1358 CG LYS A 90 -1.346 -11.026 0.242 1.00 0.00 C ATOM 1359 CD LYS A 90 -1.714 -12.505 0.108 1.00 0.00 C ATOM 1360 CE LYS A 90 -2.525 -12.756 -1.165 1.00 0.00 C ATOM 1361 NZ LYS A 90 -3.053 -14.139 -1.179 1.00 0.00 N ATOM 0 H LYS A 90 -2.745 -8.341 3.246 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.976 -11.173 2.906 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.358 -10.786 0.981 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.544 -9.275 0.631 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.253 -10.579 -0.748 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -0.374 -10.932 0.726 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.807 -13.109 0.090 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.290 -12.820 0.978 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -3.349 -12.045 -1.224 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -1.898 -12.591 -2.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -3.601 -14.293 -2.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -2.262 -14.813 -1.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -3.668 -14.284 -0.353 1.00 0.00 H new ATOM 1375 N LEU A 91 0.320 -10.457 3.151 1.00 0.00 N ATOM 1376 CA LEU A 91 1.698 -10.058 3.384 1.00 0.00 C ATOM 1377 C LEU A 91 2.618 -10.844 2.449 1.00 0.00 C ATOM 1378 O LEU A 91 2.733 -12.063 2.566 1.00 0.00 O ATOM 1379 CB LEU A 91 2.055 -10.205 4.865 1.00 0.00 C ATOM 1380 CG LEU A 91 3.231 -9.359 5.358 1.00 0.00 C ATOM 1381 CD1 LEU A 91 2.888 -7.869 5.321 1.00 0.00 C ATOM 1382 CD2 LEU A 91 3.685 -9.809 6.748 1.00 0.00 C ATOM 0 H LEU A 91 0.121 -11.438 3.347 1.00 0.00 H new ATOM 0 HA LEU A 91 1.833 -9.002 3.150 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.176 -9.950 5.457 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.279 -11.253 5.062 1.00 0.00 H new ATOM 0 HG LEU A 91 4.071 -9.512 4.680 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.741 -7.290 5.676 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.651 -7.575 4.298 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.027 -7.678 5.962 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.522 -9.192 7.075 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.860 -9.704 7.452 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.998 -10.852 6.709 1.00 0.00 H new ATOM 1394 N GLU A 92 3.249 -10.115 1.540 1.00 0.00 N ATOM 1395 CA GLU A 92 4.155 -10.729 0.585 1.00 0.00 C ATOM 1396 C GLU A 92 5.471 -9.952 0.527 1.00 0.00 C ATOM 1397 O GLU A 92 5.488 -8.780 0.153 1.00 0.00 O ATOM 1398 CB GLU A 92 3.511 -10.822 -0.800 1.00 0.00 C ATOM 1399 CG GLU A 92 2.760 -12.144 -0.967 1.00 0.00 C ATOM 1400 CD GLU A 92 3.522 -13.095 -1.893 1.00 0.00 C ATOM 1401 OE1 GLU A 92 3.899 -12.634 -2.992 1.00 0.00 O ATOM 1402 OE2 GLU A 92 3.709 -14.260 -1.482 1.00 0.00 O ATOM 0 H GLU A 92 3.150 -9.104 1.445 1.00 0.00 H new ATOM 0 HA GLU A 92 4.370 -11.744 0.918 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.823 -9.988 -0.942 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.279 -10.736 -1.569 1.00 0.00 H new ATOM 0 HG2 GLU A 92 2.621 -12.613 0.007 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.767 -11.953 -1.373 1.00 0.00 H new ATOM 1409 N GLN A 93 6.543 -10.635 0.902 1.00 0.00 N ATOM 1410 CA GLN A 93 7.861 -10.023 0.897 1.00 0.00 C ATOM 1411 C GLN A 93 8.358 -9.847 -0.539 1.00 0.00 C ATOM 1412 O GLN A 93 8.445 -10.815 -1.293 1.00 0.00 O ATOM 1413 CB GLN A 93 8.851 -10.846 1.723 1.00 0.00 C ATOM 1414 CG GLN A 93 10.236 -10.197 1.726 1.00 0.00 C ATOM 1415 CD GLN A 93 11.256 -11.078 1.002 1.00 0.00 C ATOM 1416 OE1 GLN A 93 11.374 -12.267 1.248 1.00 0.00 O ATOM 1417 NE2 GLN A 93 11.985 -10.430 0.097 1.00 0.00 N ATOM 0 H GLN A 93 6.525 -11.607 1.211 1.00 0.00 H new ATOM 0 HA GLN A 93 7.785 -9.038 1.358 1.00 0.00 H new ATOM 0 HB2 GLN A 93 8.487 -10.939 2.746 1.00 0.00 H new ATOM 0 HB3 GLN A 93 8.919 -11.855 1.316 1.00 0.00 H new ATOM 0 HG2 GLN A 93 10.185 -9.221 1.243 1.00 0.00 H new ATOM 0 HG3 GLN A 93 10.560 -10.028 2.753 1.00 0.00 H new ATOM 0 HE21 GLN A 93 11.835 -9.433 -0.060 1.00 0.00 H new ATOM 0 HE22 GLN A 93 12.694 -10.930 -0.440 1.00 0.00 H new ATOM 1426 N MET A 94 8.673 -8.604 -0.875 1.00 0.00 N ATOM 1427 CA MET A 94 9.159 -8.288 -2.207 1.00 0.00 C ATOM 1428 C MET A 94 10.666 -8.533 -2.312 1.00 0.00 C ATOM 1429 O MET A 94 11.390 -8.407 -1.325 1.00 0.00 O ATOM 1430 CB MET A 94 8.856 -6.823 -2.527 1.00 0.00 C ATOM 1431 CG MET A 94 7.466 -6.429 -2.026 1.00 0.00 C ATOM 1432 SD MET A 94 6.261 -7.634 -2.558 1.00 0.00 S ATOM 1433 CE MET A 94 6.204 -7.267 -4.303 1.00 0.00 C ATOM 0 H MET A 94 8.601 -7.804 -0.247 1.00 0.00 H new ATOM 0 HA MET A 94 8.653 -8.937 -2.922 1.00 0.00 H new ATOM 0 HB2 MET A 94 9.608 -6.183 -2.065 1.00 0.00 H new ATOM 0 HB3 MET A 94 8.918 -6.662 -3.603 1.00 0.00 H new ATOM 0 HG2 MET A 94 7.468 -6.361 -0.938 1.00 0.00 H new ATOM 0 HG3 MET A 94 7.199 -5.443 -2.407 1.00 0.00 H new ATOM 0 HE1 MET A 94 5.507 -7.946 -4.795 1.00 0.00 H new ATOM 0 HE2 MET A 94 5.873 -6.239 -4.448 1.00 0.00 H new ATOM 0 HE3 MET A 94 7.197 -7.392 -4.734 1.00 0.00 H new ATOM 1443 N PRO A 95 11.105 -8.888 -3.549 1.00 0.00 N ATOM 1444 CA PRO A 95 12.513 -9.152 -3.797 1.00 0.00 C ATOM 1445 C PRO A 95 13.314 -7.849 -3.848 1.00 0.00 C ATOM 1446 O PRO A 95 14.267 -7.673 -3.091 1.00 0.00 O ATOM 1447 CB PRO A 95 12.545 -9.920 -5.107 1.00 0.00 C ATOM 1448 CG PRO A 95 11.207 -9.656 -5.778 1.00 0.00 C ATOM 1449 CD PRO A 95 10.277 -9.047 -4.741 1.00 0.00 C ATOM 0 HA PRO A 95 12.979 -9.732 -3.000 1.00 0.00 H new ATOM 0 HB2 PRO A 95 13.370 -9.585 -5.736 1.00 0.00 H new ATOM 0 HB3 PRO A 95 12.690 -10.986 -4.931 1.00 0.00 H new ATOM 0 HG2 PRO A 95 11.331 -8.979 -6.624 1.00 0.00 H new ATOM 0 HG3 PRO A 95 10.787 -10.582 -6.170 1.00 0.00 H new ATOM 0 HD2 PRO A 95 9.880 -8.089 -5.078 1.00 0.00 H new ATOM 0 HD3 PRO A 95 9.422 -9.695 -4.546 1.00 0.00 H new ATOM 1457 N SER A 96 12.897 -6.970 -4.747 1.00 0.00 N ATOM 1458 CA SER A 96 13.564 -5.689 -4.907 1.00 0.00 C ATOM 1459 C SER A 96 12.605 -4.552 -4.548 1.00 0.00 C ATOM 1460 O SER A 96 11.388 -4.715 -4.622 1.00 0.00 O ATOM 1461 CB SER A 96 14.085 -5.514 -6.335 1.00 0.00 C ATOM 1462 OG SER A 96 15.500 -5.353 -6.370 1.00 0.00 O ATOM 0 H SER A 96 12.105 -7.120 -5.372 1.00 0.00 H new ATOM 0 HA SER A 96 14.419 -5.661 -4.232 1.00 0.00 H new ATOM 0 HB2 SER A 96 13.804 -6.381 -6.932 1.00 0.00 H new ATOM 0 HB3 SER A 96 13.610 -4.645 -6.791 1.00 0.00 H new ATOM 0 HG SER A 96 15.794 -5.246 -7.299 1.00 0.00 H new ATOM 1468 N LYS A 97 13.190 -3.426 -4.168 1.00 0.00 N ATOM 1469 CA LYS A 97 12.403 -2.262 -3.797 1.00 0.00 C ATOM 1470 C LYS A 97 11.404 -1.951 -4.914 1.00 0.00 C ATOM 1471 O LYS A 97 10.223 -1.732 -4.652 1.00 0.00 O ATOM 1472 CB LYS A 97 13.317 -1.087 -3.445 1.00 0.00 C ATOM 1473 CG LYS A 97 12.512 0.203 -3.277 1.00 0.00 C ATOM 1474 CD LYS A 97 13.430 1.385 -2.959 1.00 0.00 C ATOM 1475 CE LYS A 97 13.100 2.590 -3.843 1.00 0.00 C ATOM 1476 NZ LYS A 97 14.325 3.363 -4.143 1.00 0.00 N ATOM 0 H LYS A 97 14.200 -3.295 -4.109 1.00 0.00 H new ATOM 0 HA LYS A 97 11.823 -2.465 -2.897 1.00 0.00 H new ATOM 0 HB2 LYS A 97 13.857 -1.305 -2.524 1.00 0.00 H new ATOM 0 HB3 LYS A 97 14.063 -0.955 -4.228 1.00 0.00 H new ATOM 0 HG2 LYS A 97 11.952 0.408 -4.190 1.00 0.00 H new ATOM 0 HG3 LYS A 97 11.782 0.079 -2.477 1.00 0.00 H new ATOM 0 HD2 LYS A 97 13.324 1.660 -1.910 1.00 0.00 H new ATOM 0 HD3 LYS A 97 14.469 1.093 -3.109 1.00 0.00 H new ATOM 0 HE2 LYS A 97 12.639 2.252 -4.771 1.00 0.00 H new ATOM 0 HE3 LYS A 97 12.374 3.229 -3.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 14.083 4.177 -4.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 14.748 3.701 -3.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 15.006 2.755 -4.641 1.00 0.00 H new ATOM 1490 N GLU A 98 11.916 -1.941 -6.136 1.00 0.00 N ATOM 1491 CA GLU A 98 11.084 -1.660 -7.294 1.00 0.00 C ATOM 1492 C GLU A 98 9.945 -2.677 -7.387 1.00 0.00 C ATOM 1493 O GLU A 98 8.775 -2.300 -7.450 1.00 0.00 O ATOM 1494 CB GLU A 98 11.916 -1.649 -8.578 1.00 0.00 C ATOM 1495 CG GLU A 98 12.904 -0.481 -8.581 1.00 0.00 C ATOM 1496 CD GLU A 98 12.799 0.322 -9.879 1.00 0.00 C ATOM 1497 OE1 GLU A 98 11.651 0.518 -10.335 1.00 0.00 O ATOM 1498 OE2 GLU A 98 13.869 0.723 -10.387 1.00 0.00 O ATOM 0 H GLU A 98 12.897 -2.123 -6.350 1.00 0.00 H new ATOM 0 HA GLU A 98 10.650 -0.667 -7.174 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.459 -2.589 -8.672 1.00 0.00 H new ATOM 0 HB3 GLU A 98 11.256 -1.574 -9.442 1.00 0.00 H new ATOM 0 HG2 GLU A 98 12.706 0.170 -7.729 1.00 0.00 H new ATOM 0 HG3 GLU A 98 13.920 -0.859 -8.464 1.00 0.00 H new ATOM 1505 N ASP A 99 10.325 -3.946 -7.394 1.00 0.00 N ATOM 1506 CA ASP A 99 9.350 -5.019 -7.479 1.00 0.00 C ATOM 1507 C ASP A 99 8.253 -4.789 -6.439 1.00 0.00 C ATOM 1508 O ASP A 99 7.136 -5.282 -6.589 1.00 0.00 O ATOM 1509 CB ASP A 99 9.997 -6.375 -7.192 1.00 0.00 C ATOM 1510 CG ASP A 99 10.970 -6.868 -8.265 1.00 0.00 C ATOM 1511 OD1 ASP A 99 11.914 -6.106 -8.568 1.00 0.00 O ATOM 1512 OD2 ASP A 99 10.748 -7.995 -8.759 1.00 0.00 O ATOM 0 H ASP A 99 11.296 -4.255 -7.342 1.00 0.00 H new ATOM 0 HA ASP A 99 8.939 -5.022 -8.489 1.00 0.00 H new ATOM 0 HB2 ASP A 99 10.528 -6.313 -6.242 1.00 0.00 H new ATOM 0 HB3 ASP A 99 9.209 -7.118 -7.069 1.00 0.00 H new ATOM 1517 N ALA A 100 8.609 -4.040 -5.405 1.00 0.00 N ATOM 1518 CA ALA A 100 7.668 -3.738 -4.340 1.00 0.00 C ATOM 1519 C ALA A 100 6.796 -2.552 -4.755 1.00 0.00 C ATOM 1520 O ALA A 100 5.581 -2.575 -4.569 1.00 0.00 O ATOM 1521 CB ALA A 100 8.434 -3.473 -3.042 1.00 0.00 C ATOM 0 H ALA A 100 9.536 -3.633 -5.282 1.00 0.00 H new ATOM 0 HA ALA A 100 7.006 -4.586 -4.161 1.00 0.00 H new ATOM 0 HB1 ALA A 100 7.728 -3.246 -2.243 1.00 0.00 H new ATOM 0 HB2 ALA A 100 9.013 -4.357 -2.775 1.00 0.00 H new ATOM 0 HB3 ALA A 100 9.107 -2.627 -3.183 1.00 0.00 H new ATOM 1527 N ILE A 101 7.452 -1.543 -5.311 1.00 0.00 N ATOM 1528 CA ILE A 101 6.751 -0.350 -5.754 1.00 0.00 C ATOM 1529 C ILE A 101 5.726 -0.733 -6.824 1.00 0.00 C ATOM 1530 O ILE A 101 4.554 -0.376 -6.720 1.00 0.00 O ATOM 1531 CB ILE A 101 7.748 0.717 -6.212 1.00 0.00 C ATOM 1532 CG1 ILE A 101 8.506 1.307 -5.020 1.00 0.00 C ATOM 1533 CG2 ILE A 101 7.051 1.799 -7.040 1.00 0.00 C ATOM 1534 CD1 ILE A 101 10.011 1.341 -5.290 1.00 0.00 C ATOM 0 H ILE A 101 8.460 -1.528 -5.464 1.00 0.00 H new ATOM 0 HA ILE A 101 6.198 0.096 -4.927 1.00 0.00 H new ATOM 0 HB ILE A 101 8.485 0.241 -6.859 1.00 0.00 H new ATOM 0 HG12 ILE A 101 8.146 2.316 -4.819 1.00 0.00 H new ATOM 0 HG13 ILE A 101 8.306 0.714 -4.128 1.00 0.00 H new ATOM 0 HG21 ILE A 101 7.782 2.545 -7.353 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.595 1.346 -7.920 1.00 0.00 H new ATOM 0 HG23 ILE A 101 6.279 2.278 -6.437 1.00 0.00 H new ATOM 0 HD11 ILE A 101 10.526 1.765 -4.428 1.00 0.00 H new ATOM 0 HD12 ILE A 101 10.372 0.328 -5.467 1.00 0.00 H new ATOM 0 HD13 ILE A 101 10.209 1.955 -6.169 1.00 0.00 H new ATOM 1546 N GLU A 102 6.206 -1.454 -7.826 1.00 0.00 N ATOM 1547 CA GLU A 102 5.346 -1.889 -8.913 1.00 0.00 C ATOM 1548 C GLU A 102 4.058 -2.500 -8.359 1.00 0.00 C ATOM 1549 O GLU A 102 2.964 -2.174 -8.818 1.00 0.00 O ATOM 1550 CB GLU A 102 6.074 -2.879 -9.825 1.00 0.00 C ATOM 1551 CG GLU A 102 7.440 -2.334 -10.246 1.00 0.00 C ATOM 1552 CD GLU A 102 7.781 -2.753 -11.678 1.00 0.00 C ATOM 1553 OE1 GLU A 102 7.746 -3.976 -11.934 1.00 0.00 O ATOM 1554 OE2 GLU A 102 8.068 -1.841 -12.483 1.00 0.00 O ATOM 0 H GLU A 102 7.179 -1.748 -7.908 1.00 0.00 H new ATOM 0 HA GLU A 102 5.083 -1.018 -9.513 1.00 0.00 H new ATOM 0 HB2 GLU A 102 6.202 -3.830 -9.307 1.00 0.00 H new ATOM 0 HB3 GLU A 102 5.469 -3.077 -10.710 1.00 0.00 H new ATOM 0 HG2 GLU A 102 7.440 -1.247 -10.172 1.00 0.00 H new ATOM 0 HG3 GLU A 102 8.207 -2.700 -9.564 1.00 0.00 H new ATOM 1561 N HIS A 103 4.229 -3.376 -7.379 1.00 0.00 N ATOM 1562 CA HIS A 103 3.094 -4.035 -6.758 1.00 0.00 C ATOM 1563 C HIS A 103 2.168 -2.987 -6.137 1.00 0.00 C ATOM 1564 O HIS A 103 0.986 -2.921 -6.470 1.00 0.00 O ATOM 1565 CB HIS A 103 3.561 -5.085 -5.748 1.00 0.00 C ATOM 1566 CG HIS A 103 2.707 -6.330 -5.717 1.00 0.00 C ATOM 1567 ND1 HIS A 103 2.398 -7.174 -4.691 1.00 0.00 N flip ATOM 1568 CD2 HIS A 103 2.064 -6.826 -6.838 1.00 0.00 C flip ATOM 1569 CE1 HIS A 103 1.608 -8.132 -5.159 1.00 0.00 C flip ATOM 1570 NE2 HIS A 103 1.400 -7.919 -6.490 1.00 0.00 N flip ATOM 0 H HIS A 103 5.137 -3.644 -7.000 1.00 0.00 H new ATOM 0 HA HIS A 103 2.522 -4.572 -7.515 1.00 0.00 H new ATOM 0 HB2 HIS A 103 4.588 -5.367 -5.981 1.00 0.00 H new ATOM 0 HB3 HIS A 103 3.571 -4.639 -4.754 1.00 0.00 H new ATOM 0 HD2 HIS A 103 2.098 -6.396 -7.828 1.00 0.00 H new ATOM 0 HE1 HIS A 103 1.197 -8.947 -4.581 1.00 0.00 H new ATOM 0 HE2 HIS A 103 0.833 -8.499 -7.109 1.00 0.00 H new ATOM 1578 N PHE A 104 2.741 -2.192 -5.245 1.00 0.00 N ATOM 1579 CA PHE A 104 1.983 -1.150 -4.574 1.00 0.00 C ATOM 1580 C PHE A 104 1.421 -0.145 -5.582 1.00 0.00 C ATOM 1581 O PHE A 104 0.424 0.521 -5.311 1.00 0.00 O ATOM 1582 CB PHE A 104 2.950 -0.426 -3.635 1.00 0.00 C ATOM 1583 CG PHE A 104 2.318 0.735 -2.865 1.00 0.00 C ATOM 1584 CD1 PHE A 104 1.594 0.490 -1.740 1.00 0.00 C ATOM 1585 CD2 PHE A 104 2.480 2.011 -3.305 1.00 0.00 C ATOM 1586 CE1 PHE A 104 1.007 1.567 -1.025 1.00 0.00 C ATOM 1587 CE2 PHE A 104 1.893 3.089 -2.590 1.00 0.00 C ATOM 1588 CZ PHE A 104 1.169 2.844 -1.465 1.00 0.00 C ATOM 0 H PHE A 104 3.722 -2.249 -4.971 1.00 0.00 H new ATOM 0 HA PHE A 104 1.145 -1.590 -4.034 1.00 0.00 H new ATOM 0 HB2 PHE A 104 3.354 -1.144 -2.922 1.00 0.00 H new ATOM 0 HB3 PHE A 104 3.790 -0.048 -4.217 1.00 0.00 H new ATOM 0 HD1 PHE A 104 1.466 -0.524 -1.391 1.00 0.00 H new ATOM 0 HD2 PHE A 104 3.055 2.205 -4.198 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.432 1.372 -0.132 1.00 0.00 H new ATOM 0 HE2 PHE A 104 2.022 4.103 -2.940 1.00 0.00 H new ATOM 0 HZ PHE A 104 0.723 3.663 -0.921 1.00 0.00 H new ATOM 1598 N MET A 105 2.087 -0.068 -6.726 1.00 0.00 N ATOM 1599 CA MET A 105 1.667 0.844 -7.776 1.00 0.00 C ATOM 1600 C MET A 105 0.563 0.221 -8.634 1.00 0.00 C ATOM 1601 O MET A 105 -0.394 0.898 -9.007 1.00 0.00 O ATOM 1602 CB MET A 105 2.866 1.191 -8.660 1.00 0.00 C ATOM 1603 CG MET A 105 3.515 2.503 -8.213 1.00 0.00 C ATOM 1604 SD MET A 105 3.460 3.694 -9.542 1.00 0.00 S ATOM 1605 CE MET A 105 4.403 2.820 -10.780 1.00 0.00 C ATOM 0 H MET A 105 2.914 -0.622 -6.948 1.00 0.00 H new ATOM 0 HA MET A 105 1.273 1.748 -7.311 1.00 0.00 H new ATOM 0 HB2 MET A 105 3.599 0.385 -8.617 1.00 0.00 H new ATOM 0 HB3 MET A 105 2.545 1.275 -9.698 1.00 0.00 H new ATOM 0 HG2 MET A 105 2.995 2.896 -7.339 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.548 2.325 -7.916 1.00 0.00 H new ATOM 0 HE1 MET A 105 4.958 3.535 -11.387 1.00 0.00 H new ATOM 0 HE2 MET A 105 5.101 2.139 -10.292 1.00 0.00 H new ATOM 0 HE3 MET A 105 3.727 2.251 -11.418 1.00 0.00 H new ATOM 1615 N LYS A 106 0.733 -1.061 -8.921 1.00 0.00 N ATOM 1616 CA LYS A 106 -0.236 -1.782 -9.728 1.00 0.00 C ATOM 1617 C LYS A 106 -1.457 -2.119 -8.870 1.00 0.00 C ATOM 1618 O LYS A 106 -2.593 -1.894 -9.285 1.00 0.00 O ATOM 1619 CB LYS A 106 0.413 -3.004 -10.380 1.00 0.00 C ATOM 1620 CG LYS A 106 -0.582 -4.161 -10.488 1.00 0.00 C ATOM 1621 CD LYS A 106 0.092 -5.413 -11.053 1.00 0.00 C ATOM 1622 CE LYS A 106 -0.359 -5.678 -12.490 1.00 0.00 C ATOM 1623 NZ LYS A 106 0.337 -4.769 -13.428 1.00 0.00 N ATOM 0 H LYS A 106 1.528 -1.619 -8.609 1.00 0.00 H new ATOM 0 HA LYS A 106 -0.586 -1.159 -10.551 1.00 0.00 H new ATOM 0 HB2 LYS A 106 0.778 -2.740 -11.372 1.00 0.00 H new ATOM 0 HB3 LYS A 106 1.278 -3.317 -9.795 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -0.998 -4.380 -9.505 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -1.414 -3.871 -11.129 1.00 0.00 H new ATOM 0 HD2 LYS A 106 1.175 -5.291 -11.025 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -0.149 -6.273 -10.428 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -0.152 -6.714 -12.757 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -1.437 -5.538 -12.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 0.019 -4.962 -14.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 0.118 -3.782 -13.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 1.364 -4.922 -13.363 1.00 0.00 H new ATOM 1637 N LEU A 107 -1.182 -2.652 -7.689 1.00 0.00 N ATOM 1638 CA LEU A 107 -2.244 -3.022 -6.769 1.00 0.00 C ATOM 1639 C LEU A 107 -3.239 -1.866 -6.654 1.00 0.00 C ATOM 1640 O LEU A 107 -4.417 -2.022 -6.972 1.00 0.00 O ATOM 1641 CB LEU A 107 -1.660 -3.466 -5.427 1.00 0.00 C ATOM 1642 CG LEU A 107 -1.237 -4.934 -5.332 1.00 0.00 C ATOM 1643 CD1 LEU A 107 -2.457 -5.857 -5.330 1.00 0.00 C ATOM 1644 CD2 LEU A 107 -0.248 -5.293 -6.443 1.00 0.00 C ATOM 0 H LEU A 107 -0.239 -2.837 -7.348 1.00 0.00 H new ATOM 0 HA LEU A 107 -2.796 -3.881 -7.150 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -0.793 -2.844 -5.207 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -2.398 -3.270 -4.649 1.00 0.00 H new ATOM 0 HG LEU A 107 -0.721 -5.080 -4.383 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -2.129 -6.894 -5.262 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -3.091 -5.620 -4.476 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -3.022 -5.715 -6.251 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.036 -6.341 -6.352 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -0.715 -5.126 -7.414 1.00 0.00 H new ATOM 0 HD23 LEU A 107 0.640 -4.667 -6.356 1.00 0.00 H new ATOM 1656 N TYR A 108 -2.729 -0.731 -6.198 1.00 0.00 N ATOM 1657 CA TYR A 108 -3.558 0.451 -6.038 1.00 0.00 C ATOM 1658 C TYR A 108 -4.180 0.870 -7.371 1.00 0.00 C ATOM 1659 O TYR A 108 -5.080 1.708 -7.405 1.00 0.00 O ATOM 1660 CB TYR A 108 -2.622 1.560 -5.554 1.00 0.00 C ATOM 1661 CG TYR A 108 -3.328 2.884 -5.256 1.00 0.00 C ATOM 1662 CD1 TYR A 108 -3.938 3.082 -4.034 1.00 0.00 C ATOM 1663 CD2 TYR A 108 -3.354 3.882 -6.210 1.00 0.00 C ATOM 1664 CE1 TYR A 108 -4.602 4.328 -3.754 1.00 0.00 C ATOM 1665 CE2 TYR A 108 -4.019 5.128 -5.930 1.00 0.00 C ATOM 1666 CZ TYR A 108 -4.610 5.290 -4.716 1.00 0.00 C ATOM 1667 OH TYR A 108 -5.237 6.467 -4.451 1.00 0.00 O ATOM 0 H TYR A 108 -1.752 -0.605 -5.934 1.00 0.00 H new ATOM 0 HA TYR A 108 -4.372 0.257 -5.340 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -2.110 1.222 -4.653 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -1.856 1.731 -6.310 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -3.917 2.302 -3.288 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -2.876 3.728 -7.166 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -5.083 4.495 -2.802 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -4.048 5.916 -6.668 1.00 0.00 H new ATOM 0 HH TYR A 108 -5.162 7.060 -5.228 1.00 0.00 H new ATOM 1677 N GLU A 109 -3.675 0.269 -8.438 1.00 0.00 N ATOM 1678 CA GLU A 109 -4.169 0.569 -9.771 1.00 0.00 C ATOM 1679 C GLU A 109 -5.201 -0.475 -10.203 1.00 0.00 C ATOM 1680 O GLU A 109 -6.012 -0.221 -11.091 1.00 0.00 O ATOM 1681 CB GLU A 109 -3.019 0.652 -10.777 1.00 0.00 C ATOM 1682 CG GLU A 109 -3.541 0.580 -12.213 1.00 0.00 C ATOM 1683 CD GLU A 109 -2.387 0.622 -13.218 1.00 0.00 C ATOM 1684 OE1 GLU A 109 -2.010 1.750 -13.602 1.00 0.00 O ATOM 1685 OE2 GLU A 109 -1.909 -0.475 -13.579 1.00 0.00 O ATOM 0 H GLU A 109 -2.928 -0.425 -8.406 1.00 0.00 H new ATOM 0 HA GLU A 109 -4.656 1.544 -9.745 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.471 1.583 -10.632 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.317 -0.163 -10.600 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -4.114 -0.337 -12.350 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -4.221 1.412 -12.399 1.00 0.00 H new ATOM 1692 N GLU A 110 -5.135 -1.628 -9.553 1.00 0.00 N ATOM 1693 CA GLU A 110 -6.054 -2.712 -9.859 1.00 0.00 C ATOM 1694 C GLU A 110 -7.424 -2.439 -9.235 1.00 0.00 C ATOM 1695 O GLU A 110 -8.450 -2.836 -9.784 1.00 0.00 O ATOM 1696 CB GLU A 110 -5.493 -4.055 -9.386 1.00 0.00 C ATOM 1697 CG GLU A 110 -6.048 -4.426 -8.009 1.00 0.00 C ATOM 1698 CD GLU A 110 -5.564 -5.813 -7.578 1.00 0.00 C ATOM 1699 OE1 GLU A 110 -5.373 -6.653 -8.483 1.00 0.00 O ATOM 1700 OE2 GLU A 110 -5.397 -6.000 -6.354 1.00 0.00 O ATOM 0 H GLU A 110 -4.460 -1.835 -8.817 1.00 0.00 H new ATOM 0 HA GLU A 110 -6.175 -2.766 -10.941 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -5.747 -4.833 -10.106 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -4.405 -4.004 -9.342 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -5.735 -3.683 -7.275 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -7.138 -4.409 -8.035 1.00 0.00 H new ATOM 1707 N LYS A 111 -7.395 -1.763 -8.096 1.00 0.00 N ATOM 1708 CA LYS A 111 -8.622 -1.432 -7.391 1.00 0.00 C ATOM 1709 C LYS A 111 -9.258 -0.199 -8.035 1.00 0.00 C ATOM 1710 O LYS A 111 -10.363 -0.273 -8.571 1.00 0.00 O ATOM 1711 CB LYS A 111 -8.354 -1.275 -5.893 1.00 0.00 C ATOM 1712 CG LYS A 111 -7.866 -2.590 -5.282 1.00 0.00 C ATOM 1713 CD LYS A 111 -8.993 -3.625 -5.238 1.00 0.00 C ATOM 1714 CE LYS A 111 -8.504 -4.941 -4.630 1.00 0.00 C ATOM 1715 NZ LYS A 111 -9.507 -5.478 -3.683 1.00 0.00 N ATOM 0 H LYS A 111 -6.541 -1.435 -7.644 1.00 0.00 H new ATOM 0 HA LYS A 111 -9.343 -2.245 -7.478 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -7.608 -0.497 -5.733 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -9.265 -0.952 -5.389 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -7.032 -2.979 -5.866 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -7.493 -2.410 -4.274 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -9.826 -3.237 -4.652 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -9.368 -3.803 -6.246 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -8.317 -5.667 -5.421 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -7.557 -4.781 -4.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -9.427 -6.514 -3.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -9.338 -5.082 -2.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -10.461 -5.216 -4.003 1.00 0.00 H new ATOM 1729 N THR A 112 -8.533 0.908 -7.961 1.00 0.00 N ATOM 1730 CA THR A 112 -9.013 2.156 -8.530 1.00 0.00 C ATOM 1731 C THR A 112 -9.135 2.037 -10.050 1.00 0.00 C ATOM 1732 O THR A 112 -9.980 2.689 -10.662 1.00 0.00 O ATOM 1733 CB THR A 112 -8.069 3.274 -8.082 1.00 0.00 C ATOM 1734 OG1 THR A 112 -6.797 2.878 -8.589 1.00 0.00 O ATOM 1735 CG2 THR A 112 -7.873 3.302 -6.565 1.00 0.00 C ATOM 0 H THR A 112 -7.617 0.966 -7.516 1.00 0.00 H new ATOM 0 HA THR A 112 -10.015 2.394 -8.173 1.00 0.00 H new ATOM 0 HB THR A 112 -8.461 4.235 -8.415 1.00 0.00 H new ATOM 0 HG1 THR A 112 -6.179 2.729 -7.843 1.00 0.00 H new ATOM 0 HG21 THR A 112 -7.195 4.113 -6.301 1.00 0.00 H new ATOM 0 HG22 THR A 112 -8.835 3.459 -6.077 1.00 0.00 H new ATOM 0 HG23 THR A 112 -7.450 2.353 -6.235 1.00 0.00 H new ATOM 1743 N GLY A 113 -8.279 1.200 -10.617 1.00 0.00 N ATOM 1744 CA GLY A 113 -8.280 0.987 -12.054 1.00 0.00 C ATOM 1745 C GLY A 113 -7.369 1.994 -12.758 1.00 0.00 C ATOM 1746 O GLY A 113 -7.065 1.842 -13.941 1.00 0.00 O ATOM 0 H GLY A 113 -7.579 0.661 -10.107 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -7.947 -0.027 -12.275 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -9.296 1.080 -12.438 1.00 0.00 H new ATOM 1750 N ASN A 114 -6.958 3.002 -12.002 1.00 0.00 N ATOM 1751 CA ASN A 114 -6.087 4.034 -12.539 1.00 0.00 C ATOM 1752 C ASN A 114 -4.708 3.923 -11.885 1.00 0.00 C ATOM 1753 O ASN A 114 -4.589 3.452 -10.755 1.00 0.00 O ATOM 1754 CB ASN A 114 -6.640 5.429 -12.243 1.00 0.00 C ATOM 1755 CG ASN A 114 -7.870 5.726 -13.103 1.00 0.00 C ATOM 1756 OD1 ASN A 114 -7.826 5.710 -14.322 1.00 0.00 O ATOM 1757 ND2 ASN A 114 -8.968 5.996 -12.402 1.00 0.00 N ATOM 0 H ASN A 114 -7.212 3.126 -11.022 1.00 0.00 H new ATOM 0 HA ASN A 114 -6.022 3.893 -13.618 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -6.903 5.503 -11.188 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -5.870 6.177 -12.433 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -9.842 6.206 -12.884 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -8.936 5.993 -11.383 1.00 0.00 H new ATOM 1764 N ALA A 115 -3.701 4.365 -12.624 1.00 0.00 N ATOM 1765 CA ALA A 115 -2.335 4.321 -12.131 1.00 0.00 C ATOM 1766 C ALA A 115 -2.240 5.127 -10.834 1.00 0.00 C ATOM 1767 O ALA A 115 -3.013 6.060 -10.621 1.00 0.00 O ATOM 1768 CB ALA A 115 -1.385 4.841 -13.211 1.00 0.00 C ATOM 0 H ALA A 115 -3.804 4.755 -13.561 1.00 0.00 H new ATOM 0 HA ALA A 115 -2.041 3.296 -11.905 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -0.360 4.808 -12.841 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -1.470 4.217 -14.101 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -1.647 5.869 -13.462 1.00 0.00 H new ATOM 1774 N TRP A 116 -1.286 4.737 -10.001 1.00 0.00 N ATOM 1775 CA TRP A 116 -1.080 5.412 -8.731 1.00 0.00 C ATOM 1776 C TRP A 116 -0.671 6.857 -9.024 1.00 0.00 C ATOM 1777 O TRP A 116 -1.259 7.794 -8.484 1.00 0.00 O ATOM 1778 CB TRP A 116 -0.059 4.664 -7.872 1.00 0.00 C ATOM 1779 CG TRP A 116 0.660 5.547 -6.849 1.00 0.00 C ATOM 1780 CD1 TRP A 116 1.621 6.454 -7.073 1.00 0.00 C ATOM 1781 CD2 TRP A 116 0.434 5.569 -5.424 1.00 0.00 C ATOM 1782 NE1 TRP A 116 2.029 7.057 -5.901 1.00 0.00 N ATOM 1783 CE2 TRP A 116 1.284 6.502 -4.866 1.00 0.00 C ATOM 1784 CE3 TRP A 116 -0.460 4.827 -4.632 1.00 0.00 C ATOM 1785 CZ2 TRP A 116 1.326 6.778 -3.494 1.00 0.00 C ATOM 1786 CZ3 TRP A 116 -0.406 5.114 -3.263 1.00 0.00 C ATOM 1787 CH2 TRP A 116 0.444 6.050 -2.686 1.00 0.00 C ATOM 0 H TRP A 116 -0.647 3.962 -10.181 1.00 0.00 H new ATOM 0 HA TRP A 116 -2.000 5.423 -8.146 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -0.565 3.855 -7.346 1.00 0.00 H new ATOM 0 HB3 TRP A 116 0.683 4.204 -8.525 1.00 0.00 H new ATOM 0 HD1 TRP A 116 2.025 6.684 -8.048 1.00 0.00 H new ATOM 0 HE1 TRP A 116 2.745 7.777 -5.810 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -1.135 4.093 -5.047 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 2.002 7.512 -3.081 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -1.072 4.570 -2.609 1.00 0.00 H new ATOM 0 HH2 TRP A 116 0.424 6.215 -1.619 1.00 0.00 H new ATOM 1798 N HIS A 117 0.333 6.993 -9.877 1.00 0.00 N ATOM 1799 CA HIS A 117 0.827 8.308 -10.249 1.00 0.00 C ATOM 1800 C HIS A 117 0.164 8.756 -11.553 1.00 0.00 C ATOM 1801 O HIS A 117 0.828 8.873 -12.582 1.00 0.00 O ATOM 1802 CB HIS A 117 2.355 8.311 -10.328 1.00 0.00 C ATOM 1803 CG HIS A 117 3.019 9.249 -9.348 1.00 0.00 C ATOM 1804 ND1 HIS A 117 2.594 9.387 -8.038 1.00 0.00 N ATOM 1805 CD2 HIS A 117 4.081 10.091 -9.500 1.00 0.00 C ATOM 1806 CE1 HIS A 117 3.372 10.277 -7.438 1.00 0.00 C ATOM 1807 NE2 HIS A 117 4.292 10.712 -8.346 1.00 0.00 N ATOM 0 H HIS A 117 0.818 6.214 -10.322 1.00 0.00 H new ATOM 0 HA HIS A 117 0.559 9.032 -9.480 1.00 0.00 H new ATOM 0 HB2 HIS A 117 2.720 7.299 -10.151 1.00 0.00 H new ATOM 0 HB3 HIS A 117 2.656 8.586 -11.339 1.00 0.00 H new ATOM 0 HD1 HIS A 117 1.815 8.889 -7.608 1.00 0.00 H new ATOM 0 HD2 HIS A 117 4.653 10.229 -10.406 1.00 0.00 H new ATOM 0 HE1 HIS A 117 3.291 10.601 -6.411 1.00 0.00 H new ATOM 1815 N SER A 118 -1.136 8.994 -11.467 1.00 0.00 N ATOM 1816 CA SER A 118 -1.896 9.426 -12.627 1.00 0.00 C ATOM 1817 C SER A 118 -2.773 10.626 -12.261 1.00 0.00 C ATOM 1818 O SER A 118 -3.810 10.468 -11.619 1.00 0.00 O ATOM 1819 CB SER A 118 -2.757 8.288 -13.177 1.00 0.00 C ATOM 1820 OG SER A 118 -3.480 8.679 -14.341 1.00 0.00 O ATOM 0 H SER A 118 -1.683 8.896 -10.611 1.00 0.00 H new ATOM 0 HA SER A 118 -1.193 9.722 -13.405 1.00 0.00 H new ATOM 0 HB2 SER A 118 -2.121 7.435 -13.415 1.00 0.00 H new ATOM 0 HB3 SER A 118 -3.457 7.959 -12.409 1.00 0.00 H new ATOM 0 HG SER A 118 -4.016 7.924 -14.662 1.00 0.00 H new ATOM 1826 N LYS A 119 -2.324 11.798 -12.686 1.00 0.00 N ATOM 1827 CA LYS A 119 -3.054 13.023 -12.411 1.00 0.00 C ATOM 1828 C LYS A 119 -4.532 12.817 -12.748 1.00 0.00 C ATOM 1829 O LYS A 119 -4.906 11.793 -13.318 1.00 0.00 O ATOM 1830 CB LYS A 119 -2.415 14.204 -13.145 1.00 0.00 C ATOM 1831 CG LYS A 119 -1.319 14.850 -12.295 1.00 0.00 C ATOM 1832 CD LYS A 119 -1.131 16.321 -12.669 1.00 0.00 C ATOM 1833 CE LYS A 119 0.302 16.779 -12.389 1.00 0.00 C ATOM 1834 NZ LYS A 119 0.382 17.456 -11.075 1.00 0.00 N ATOM 0 H LYS A 119 -1.464 11.925 -13.219 1.00 0.00 H new ATOM 0 HA LYS A 119 -2.999 13.269 -11.351 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -1.993 13.864 -14.091 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -3.178 14.944 -13.384 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -1.578 14.770 -11.239 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -0.381 14.313 -12.435 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -1.363 16.464 -13.724 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -1.830 16.936 -12.103 1.00 0.00 H new ATOM 0 HE2 LYS A 119 0.974 15.921 -12.404 1.00 0.00 H new ATOM 0 HE3 LYS A 119 0.634 17.457 -13.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 1.361 17.761 -10.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -0.244 18.286 -11.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 0.086 16.797 -10.327 1.00 0.00 H new ATOM 1848 N ASN A 120 -5.334 13.806 -12.380 1.00 0.00 N ATOM 1849 CA ASN A 120 -6.763 13.746 -12.635 1.00 0.00 C ATOM 1850 C ASN A 120 -7.266 12.327 -12.361 1.00 0.00 C ATOM 1851 O ASN A 120 -7.282 11.486 -13.259 1.00 0.00 O ATOM 1852 CB ASN A 120 -7.076 14.085 -14.094 1.00 0.00 C ATOM 1853 CG ASN A 120 -7.496 15.549 -14.238 1.00 0.00 C ATOM 1854 OD1 ASN A 120 -8.268 16.080 -13.457 1.00 0.00 O ATOM 1855 ND2 ASN A 120 -6.947 16.170 -15.279 1.00 0.00 N ATOM 0 H ASN A 120 -5.021 14.654 -11.907 1.00 0.00 H new ATOM 0 HA ASN A 120 -7.253 14.469 -11.983 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -6.199 13.892 -14.712 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -7.873 13.437 -14.459 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -7.165 17.150 -15.462 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -6.308 15.666 -15.894 1.00 0.00 H new ATOM 1862 N PHE A 121 -7.666 12.106 -11.118 1.00 0.00 N ATOM 1863 CA PHE A 121 -8.169 10.803 -10.714 1.00 0.00 C ATOM 1864 C PHE A 121 -9.616 10.609 -11.172 1.00 0.00 C ATOM 1865 O PHE A 121 -10.503 11.364 -10.778 1.00 0.00 O ATOM 1866 CB PHE A 121 -8.120 10.759 -9.186 1.00 0.00 C ATOM 1867 CG PHE A 121 -8.663 9.462 -8.583 1.00 0.00 C ATOM 1868 CD1 PHE A 121 -7.976 8.299 -8.740 1.00 0.00 C ATOM 1869 CD2 PHE A 121 -9.834 9.472 -7.891 1.00 0.00 C ATOM 1870 CE1 PHE A 121 -8.480 7.095 -8.181 1.00 0.00 C ATOM 1871 CE2 PHE A 121 -10.338 8.268 -7.332 1.00 0.00 C ATOM 1872 CZ PHE A 121 -9.651 7.105 -7.489 1.00 0.00 C ATOM 0 H PHE A 121 -7.652 12.807 -10.377 1.00 0.00 H new ATOM 0 HA PHE A 121 -7.565 10.015 -11.163 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -7.088 10.894 -8.862 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -8.691 11.599 -8.790 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -7.047 8.291 -9.290 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -10.380 10.395 -7.767 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -7.934 6.172 -8.305 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -11.267 8.276 -6.782 1.00 0.00 H new ATOM 0 HZ PHE A 121 -10.035 6.189 -7.064 1.00 0.00 H new ATOM 1882 N THR A 122 -9.810 9.591 -11.998 1.00 0.00 N ATOM 1883 CA THR A 122 -11.134 9.287 -12.513 1.00 0.00 C ATOM 1884 C THR A 122 -11.896 8.394 -11.533 1.00 0.00 C ATOM 1885 O THR A 122 -11.643 7.193 -11.455 1.00 0.00 O ATOM 1886 CB THR A 122 -10.969 8.664 -13.901 1.00 0.00 C ATOM 1887 OG1 THR A 122 -10.633 9.766 -14.739 1.00 0.00 O ATOM 1888 CG2 THR A 122 -12.293 8.151 -14.473 1.00 0.00 C ATOM 0 H THR A 122 -9.072 8.966 -12.323 1.00 0.00 H new ATOM 0 HA THR A 122 -11.736 10.190 -12.615 1.00 0.00 H new ATOM 0 HB THR A 122 -10.254 7.843 -13.848 1.00 0.00 H new ATOM 0 HG1 THR A 122 -10.506 9.451 -15.658 1.00 0.00 H new ATOM 0 HG21 THR A 122 -12.120 7.719 -15.459 1.00 0.00 H new ATOM 0 HG22 THR A 122 -12.705 7.390 -13.810 1.00 0.00 H new ATOM 0 HG23 THR A 122 -12.998 8.978 -14.558 1.00 0.00 H new ATOM 1896 N LYS A 123 -12.815 9.015 -10.808 1.00 0.00 N ATOM 1897 CA LYS A 123 -13.616 8.292 -9.835 1.00 0.00 C ATOM 1898 C LYS A 123 -14.535 7.311 -10.566 1.00 0.00 C ATOM 1899 O LYS A 123 -15.413 7.723 -11.321 1.00 0.00 O ATOM 1900 CB LYS A 123 -14.360 9.268 -8.921 1.00 0.00 C ATOM 1901 CG LYS A 123 -14.419 8.740 -7.486 1.00 0.00 C ATOM 1902 CD LYS A 123 -15.867 8.556 -7.029 1.00 0.00 C ATOM 1903 CE LYS A 123 -15.957 7.541 -5.888 1.00 0.00 C ATOM 1904 NZ LYS A 123 -17.116 7.840 -5.018 1.00 0.00 N ATOM 0 H LYS A 123 -13.023 10.011 -10.875 1.00 0.00 H new ATOM 0 HA LYS A 123 -12.977 7.702 -9.178 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -13.861 10.237 -8.935 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -15.371 9.424 -9.297 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -13.890 7.789 -7.423 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -13.908 9.434 -6.818 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -16.273 9.513 -6.702 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -16.477 8.221 -7.868 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -16.051 6.534 -6.296 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -15.039 7.563 -5.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -17.133 7.173 -4.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -17.036 8.811 -4.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -17.995 7.746 -5.566 1.00 0.00 H new ATOM 1918 N TYR A 124 -14.300 6.031 -10.315 1.00 0.00 N ATOM 1919 CA TYR A 124 -15.096 4.988 -10.940 1.00 0.00 C ATOM 1920 C TYR A 124 -15.997 4.298 -9.914 1.00 0.00 C ATOM 1921 O TYR A 124 -15.876 4.538 -8.714 1.00 0.00 O ATOM 1922 CB TYR A 124 -14.097 3.969 -11.492 1.00 0.00 C ATOM 1923 CG TYR A 124 -13.722 4.197 -12.957 1.00 0.00 C ATOM 1924 CD1 TYR A 124 -14.681 4.077 -13.942 1.00 0.00 C ATOM 1925 CD2 TYR A 124 -12.423 4.523 -13.294 1.00 0.00 C ATOM 1926 CE1 TYR A 124 -14.327 4.292 -15.322 1.00 0.00 C ATOM 1927 CE2 TYR A 124 -12.070 4.738 -14.673 1.00 0.00 C ATOM 1928 CZ TYR A 124 -13.039 4.611 -15.619 1.00 0.00 C ATOM 1929 OH TYR A 124 -12.705 4.814 -16.922 1.00 0.00 O ATOM 0 H TYR A 124 -13.570 5.693 -9.688 1.00 0.00 H new ATOM 0 HA TYR A 124 -15.737 5.407 -11.716 1.00 0.00 H new ATOM 0 HB2 TYR A 124 -13.191 3.999 -10.887 1.00 0.00 H new ATOM 0 HB3 TYR A 124 -14.518 2.969 -11.387 1.00 0.00 H new ATOM 0 HD1 TYR A 124 -15.697 3.822 -13.678 1.00 0.00 H new ATOM 0 HD2 TYR A 124 -11.672 4.617 -12.523 1.00 0.00 H new ATOM 0 HE1 TYR A 124 -15.068 4.202 -16.103 1.00 0.00 H new ATOM 0 HE2 TYR A 124 -11.058 4.994 -14.950 1.00 0.00 H new ATOM 0 HH TYR A 124 -11.752 5.036 -16.985 1.00 0.00 H new ATOM 1939 N PRO A 125 -16.904 3.430 -10.438 1.00 0.00 N ATOM 1940 CA PRO A 125 -17.825 2.703 -9.581 1.00 0.00 C ATOM 1941 C PRO A 125 -17.110 1.566 -8.847 1.00 0.00 C ATOM 1942 O PRO A 125 -16.371 1.806 -7.894 1.00 0.00 O ATOM 1943 CB PRO A 125 -18.923 2.212 -10.511 1.00 0.00 C ATOM 1944 CG PRO A 125 -18.342 2.281 -11.914 1.00 0.00 C ATOM 1945 CD PRO A 125 -17.076 3.120 -11.854 1.00 0.00 C ATOM 0 HA PRO A 125 -18.241 3.324 -8.788 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -19.220 1.194 -10.261 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -19.814 2.834 -10.426 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -18.119 1.280 -12.285 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -19.061 2.724 -12.603 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -16.219 2.572 -12.246 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -17.174 4.028 -12.449 1.00 0.00 H new ATOM 1953 N LYS A 126 -17.356 0.353 -9.320 1.00 0.00 N ATOM 1954 CA LYS A 126 -16.745 -0.821 -8.720 1.00 0.00 C ATOM 1955 C LYS A 126 -15.318 -0.483 -8.286 1.00 0.00 C ATOM 1956 O LYS A 126 -14.824 -1.015 -7.293 1.00 0.00 O ATOM 1957 CB LYS A 126 -16.831 -2.015 -9.673 1.00 0.00 C ATOM 1958 CG LYS A 126 -18.286 -2.331 -10.027 1.00 0.00 C ATOM 1959 CD LYS A 126 -18.388 -2.958 -11.419 1.00 0.00 C ATOM 1960 CE LYS A 126 -19.023 -4.348 -11.348 1.00 0.00 C ATOM 1961 NZ LYS A 126 -19.009 -4.992 -12.681 1.00 0.00 N ATOM 0 H LYS A 126 -17.970 0.158 -10.111 1.00 0.00 H new ATOM 0 HA LYS A 126 -17.289 -1.117 -7.823 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -16.270 -1.800 -10.583 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -16.368 -2.887 -9.212 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -18.705 -3.012 -9.286 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -18.879 -1.417 -9.991 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -18.982 -2.315 -12.069 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -17.395 -3.030 -11.863 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -18.480 -4.966 -10.633 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -20.048 -4.268 -10.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -19.443 -5.935 -12.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -19.546 -4.409 -13.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -18.027 -5.085 -13.011 1.00 0.00 H new ATOM 1975 N LYS A 127 -14.694 0.402 -9.051 1.00 0.00 N ATOM 1976 CA LYS A 127 -13.334 0.818 -8.758 1.00 0.00 C ATOM 1977 C LYS A 127 -13.272 1.378 -7.335 1.00 0.00 C ATOM 1978 O LYS A 127 -14.297 1.744 -6.763 1.00 0.00 O ATOM 1979 CB LYS A 127 -12.829 1.791 -9.825 1.00 0.00 C ATOM 1980 CG LYS A 127 -12.954 1.184 -11.224 1.00 0.00 C ATOM 1981 CD LYS A 127 -11.835 0.175 -11.485 1.00 0.00 C ATOM 1982 CE LYS A 127 -11.711 -0.132 -12.979 1.00 0.00 C ATOM 1983 NZ LYS A 127 -12.564 -1.285 -13.343 1.00 0.00 N ATOM 0 H LYS A 127 -15.106 0.842 -9.874 1.00 0.00 H new ATOM 0 HA LYS A 127 -12.658 -0.036 -8.794 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -13.399 2.719 -9.775 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -11.788 2.045 -9.627 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -13.922 0.694 -11.326 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -12.917 1.976 -11.972 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -10.890 0.570 -11.112 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -12.035 -0.745 -10.936 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -12.003 0.742 -13.561 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -10.672 -0.348 -13.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -12.468 -1.480 -14.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -12.267 -2.121 -12.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -13.557 -1.065 -13.125 1.00 0.00 H new ATOM 1997 N PHE A 128 -12.058 1.429 -6.806 1.00 0.00 N ATOM 1998 CA PHE A 128 -11.849 1.938 -5.461 1.00 0.00 C ATOM 1999 C PHE A 128 -11.306 3.368 -5.495 1.00 0.00 C ATOM 2000 O PHE A 128 -10.656 3.766 -6.460 1.00 0.00 O ATOM 2001 CB PHE A 128 -10.816 1.029 -4.793 1.00 0.00 C ATOM 2002 CG PHE A 128 -11.357 -0.349 -4.406 1.00 0.00 C ATOM 2003 CD1 PHE A 128 -11.594 -1.281 -5.367 1.00 0.00 C ATOM 2004 CD2 PHE A 128 -11.601 -0.641 -3.100 1.00 0.00 C ATOM 2005 CE1 PHE A 128 -12.097 -2.560 -5.007 1.00 0.00 C ATOM 2006 CE2 PHE A 128 -12.103 -1.919 -2.741 1.00 0.00 C ATOM 2007 CZ PHE A 128 -12.341 -2.852 -3.702 1.00 0.00 C ATOM 0 H PHE A 128 -11.209 1.126 -7.284 1.00 0.00 H new ATOM 0 HA PHE A 128 -12.793 1.949 -4.917 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -9.970 0.899 -5.469 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -10.437 1.523 -3.899 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -11.400 -1.049 -6.404 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -11.413 0.099 -2.337 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -12.286 -3.300 -5.770 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -12.296 -2.151 -1.704 1.00 0.00 H new ATOM 0 HZ PHE A 128 -12.724 -3.824 -3.428 1.00 0.00 H new ATOM 2017 N TYR A 129 -11.593 4.102 -4.430 1.00 0.00 N ATOM 2018 CA TYR A 129 -11.142 5.479 -4.325 1.00 0.00 C ATOM 2019 C TYR A 129 -10.587 5.770 -2.929 1.00 0.00 C ATOM 2020 O TYR A 129 -10.820 5.007 -1.993 1.00 0.00 O ATOM 2021 CB TYR A 129 -12.379 6.347 -4.561 1.00 0.00 C ATOM 2022 CG TYR A 129 -13.557 6.014 -3.643 1.00 0.00 C ATOM 2023 CD1 TYR A 129 -13.450 6.216 -2.282 1.00 0.00 C ATOM 2024 CD2 TYR A 129 -14.727 5.511 -4.176 1.00 0.00 C ATOM 2025 CE1 TYR A 129 -14.559 5.902 -1.418 1.00 0.00 C ATOM 2026 CE2 TYR A 129 -15.835 5.197 -3.312 1.00 0.00 C ATOM 2027 CZ TYR A 129 -15.696 5.408 -1.975 1.00 0.00 C ATOM 2028 OH TYR A 129 -16.743 5.112 -1.159 1.00 0.00 O ATOM 0 H TYR A 129 -12.133 3.768 -3.631 1.00 0.00 H new ATOM 0 HA TYR A 129 -10.348 5.679 -5.045 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -12.108 7.394 -4.422 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -12.696 6.235 -5.598 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -12.535 6.609 -1.865 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -14.811 5.353 -5.241 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -14.489 6.056 -0.351 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -16.756 4.803 -3.716 1.00 0.00 H new ATOM 0 HH TYR A 129 -17.555 5.001 -1.696 1.00 0.00 H new ATOM 2038 N PRO A 130 -9.845 6.905 -2.831 1.00 0.00 N ATOM 2039 CA PRO A 130 -9.255 7.307 -1.565 1.00 0.00 C ATOM 2040 C PRO A 130 -10.316 7.878 -0.623 1.00 0.00 C ATOM 2041 O PRO A 130 -10.932 8.899 -0.922 1.00 0.00 O ATOM 2042 CB PRO A 130 -8.182 8.318 -1.934 1.00 0.00 C ATOM 2043 CG PRO A 130 -8.521 8.792 -3.338 1.00 0.00 C ATOM 2044 CD PRO A 130 -9.548 7.833 -3.919 1.00 0.00 C ATOM 0 HA PRO A 130 -8.822 6.469 -1.018 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -8.173 9.152 -1.232 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -7.191 7.865 -1.903 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -8.918 9.807 -3.313 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -7.626 8.815 -3.960 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -10.444 8.362 -4.244 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -9.153 7.309 -4.790 1.00 0.00 H new ATOM 2052 N LEU A 131 -10.497 7.193 0.497 1.00 0.00 N ATOM 2053 CA LEU A 131 -11.473 7.619 1.486 1.00 0.00 C ATOM 2054 C LEU A 131 -11.089 9.004 2.011 1.00 0.00 C ATOM 2055 O LEU A 131 -11.944 9.877 2.152 1.00 0.00 O ATOM 2056 CB LEU A 131 -11.620 6.564 2.583 1.00 0.00 C ATOM 2057 CG LEU A 131 -12.350 5.280 2.186 1.00 0.00 C ATOM 2058 CD1 LEU A 131 -12.131 4.180 3.227 1.00 0.00 C ATOM 2059 CD2 LEU A 131 -13.836 5.548 1.940 1.00 0.00 C ATOM 0 H LEU A 131 -9.984 6.346 0.741 1.00 0.00 H new ATOM 0 HA LEU A 131 -12.460 7.712 1.032 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -10.625 6.297 2.938 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -12.149 7.014 3.423 1.00 0.00 H new ATOM 0 HG LEU A 131 -11.927 4.923 1.247 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -12.661 3.278 2.920 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -11.066 3.965 3.310 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -12.510 4.513 4.193 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -14.332 4.619 1.659 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -14.290 5.941 2.850 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -13.946 6.275 1.136 1.00 0.00 H new ATOM 2071 N GLU A 132 -9.803 9.162 2.286 1.00 0.00 N ATOM 2072 CA GLU A 132 -9.295 10.426 2.792 1.00 0.00 C ATOM 2073 C GLU A 132 -8.596 11.203 1.675 1.00 0.00 C ATOM 2074 O GLU A 132 -7.496 10.843 1.258 1.00 0.00 O ATOM 2075 CB GLU A 132 -8.354 10.203 3.977 1.00 0.00 C ATOM 2076 CG GLU A 132 -8.554 11.279 5.046 1.00 0.00 C ATOM 2077 CD GLU A 132 -7.519 11.139 6.165 1.00 0.00 C ATOM 2078 OE1 GLU A 132 -7.515 10.064 6.803 1.00 0.00 O ATOM 2079 OE2 GLU A 132 -6.757 12.110 6.358 1.00 0.00 O ATOM 0 H GLU A 132 -9.097 8.435 2.168 1.00 0.00 H new ATOM 0 HA GLU A 132 -10.138 11.019 3.146 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -8.534 9.218 4.409 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -7.320 10.216 3.632 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -8.473 12.267 4.592 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -9.558 11.201 5.463 1.00 0.00 H new