USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 608 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 45 HIS : no HE2:sc= 0.817 K(o=2.8,f=-3.9!) USER MOD Set 1.2: A 51 SER OG : rot -121:sc= 1.95 USER MOD Single : A 23 SER OG : rot 32:sc= 0.226 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.107 USER MOD Single : A 27 GLN : amide:sc= -0.13 K(o=-0.13,f=-1.4!) USER MOD Single : A 32 THR OG1 : rot 72:sc= 1.18 USER MOD Single : A 36 ASN : amide:sc= -1.46! C(o=-1.5!,f=-1.9!) USER MOD Single : A 39 SER OG : rot 180:sc= -0.752 USER MOD Single : A 41 HIS : no HD1:sc= 0.299 K(o=0.3,f=-1.9!) USER MOD Single : A 43 LYS NZ :NH3+ -174:sc=-0.00242 (180deg=-0.0956) USER MOD Single : A 46 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0155) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HE2:sc= 0.302 K(o=0.3,f=-1.7!) USER MOD Single : A 50 HIS : no HD1:sc= -0.133 X(o=-0.13,f=-0.15) USER MOD Single : A 52 HIS : no HD1:sc= -0.297 X(o=-0.3,f=-0.37) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -177:sc= -3.15 (180deg=-3.21) USER MOD Single : A 61 GLN : amide:sc= -0.243 X(o=-0.24,f=-0.017) USER MOD Single : A 68 TYR OH : rot 180:sc= -0.218 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0.4) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -156:sc= 1.07 (180deg=0.799) USER MOD ----------------------------------------------------------------- ATOM 215 N GLU A 13 -16.010 9.952 -4.387 1.00 1.00 N ATOM 216 CA GLU A 13 -16.137 8.883 -5.381 1.00 1.00 C ATOM 217 C GLU A 13 -16.112 7.521 -4.693 1.00 1.00 C ATOM 218 O GLU A 13 -16.935 6.647 -4.960 1.00 1.00 O ATOM 219 CB GLU A 13 -14.997 8.963 -6.403 1.00 1.00 C ATOM 220 CG GLU A 13 -15.099 7.949 -7.536 1.00 1.00 C ATOM 221 CD GLU A 13 -16.295 8.189 -8.435 1.00 1.00 C ATOM 222 OE1 GLU A 13 -16.190 9.050 -9.338 1.00 1.00 O ATOM 223 OE2 GLU A 13 -17.333 7.520 -8.238 1.00 1.00 O ATOM 0 HA GLU A 13 -17.087 9.007 -5.900 1.00 1.00 H new ATOM 0 HB2 GLU A 13 -14.976 9.966 -6.829 1.00 1.00 H new ATOM 0 HB3 GLU A 13 -14.049 8.817 -5.885 1.00 1.00 H new ATOM 0 HG2 GLU A 13 -14.188 7.986 -8.134 1.00 1.00 H new ATOM 0 HG3 GLU A 13 -15.163 6.946 -7.115 1.00 1.00 H new ATOM 230 N PHE A 14 -15.183 7.364 -3.766 1.00 1.00 N ATOM 231 CA PHE A 14 -15.033 6.100 -3.061 1.00 1.00 C ATOM 232 C PHE A 14 -16.053 5.931 -1.935 1.00 1.00 C ATOM 233 O PHE A 14 -16.953 5.100 -2.031 1.00 1.00 O ATOM 234 CB PHE A 14 -13.615 5.968 -2.514 1.00 1.00 C ATOM 235 CG PHE A 14 -12.607 5.636 -3.577 1.00 1.00 C ATOM 236 CD1 PHE A 14 -12.041 6.636 -4.351 1.00 1.00 C ATOM 237 CD2 PHE A 14 -12.232 4.322 -3.807 1.00 1.00 C ATOM 238 CE1 PHE A 14 -11.122 6.333 -5.336 1.00 1.00 C ATOM 239 CE2 PHE A 14 -11.312 4.012 -4.791 1.00 1.00 C ATOM 240 CZ PHE A 14 -10.755 5.019 -5.555 1.00 1.00 C ATOM 0 H PHE A 14 -14.524 8.090 -3.484 1.00 1.00 H new ATOM 0 HA PHE A 14 -15.221 5.306 -3.783 1.00 1.00 H new ATOM 0 HB2 PHE A 14 -13.330 6.901 -2.029 1.00 1.00 H new ATOM 0 HB3 PHE A 14 -13.597 5.192 -1.748 1.00 1.00 H new ATOM 0 HD1 PHE A 14 -12.322 7.665 -4.182 1.00 1.00 H new ATOM 0 HD2 PHE A 14 -12.663 3.531 -3.211 1.00 1.00 H new ATOM 0 HE1 PHE A 14 -10.691 7.122 -5.934 1.00 1.00 H new ATOM 0 HE2 PHE A 14 -11.029 2.984 -4.962 1.00 1.00 H new ATOM 0 HZ PHE A 14 -10.034 4.780 -6.322 1.00 1.00 H new ATOM 358 N SER A 23 -14.343 6.123 5.283 1.00 1.00 N ATOM 359 CA SER A 23 -14.883 4.851 4.838 1.00 1.00 C ATOM 360 C SER A 23 -13.733 3.968 4.323 1.00 1.00 C ATOM 361 O SER A 23 -12.764 4.464 3.751 1.00 1.00 O ATOM 362 CB SER A 23 -15.945 5.081 3.766 1.00 1.00 C ATOM 363 OG SER A 23 -16.897 6.036 4.212 1.00 1.00 O ATOM 0 HA SER A 23 -15.365 4.336 5.669 1.00 1.00 H new ATOM 0 HB2 SER A 23 -15.474 5.429 2.847 1.00 1.00 H new ATOM 0 HB3 SER A 23 -16.445 4.141 3.532 1.00 1.00 H new ATOM 0 HG SER A 23 -16.459 6.682 4.805 1.00 1.00 H new ATOM 369 N THR A 24 -13.853 2.667 4.537 1.00 1.00 N ATOM 370 CA THR A 24 -12.822 1.679 4.163 1.00 1.00 C ATOM 371 C THR A 24 -12.254 1.880 2.756 1.00 1.00 C ATOM 372 O THR A 24 -11.043 1.835 2.543 1.00 1.00 O ATOM 373 CB THR A 24 -13.426 0.270 4.270 1.00 1.00 C ATOM 374 OG1 THR A 24 -14.266 0.219 5.429 1.00 1.00 O ATOM 375 CG2 THR A 24 -12.355 -0.800 4.364 1.00 1.00 C ATOM 0 H THR A 24 -14.673 2.251 4.979 1.00 1.00 H new ATOM 0 HA THR A 24 -11.989 1.813 4.853 1.00 1.00 H new ATOM 0 HB THR A 24 -14.004 0.072 3.367 1.00 1.00 H new ATOM 0 HG1 THR A 24 -14.660 -0.675 5.509 1.00 1.00 H new ATOM 0 HG21 THR A 24 -12.826 -1.780 4.438 1.00 1.00 H new ATOM 0 HG22 THR A 24 -11.727 -0.765 3.474 1.00 1.00 H new ATOM 0 HG23 THR A 24 -11.742 -0.624 5.248 1.00 1.00 H new ATOM 383 N GLU A 25 -13.139 2.128 1.817 1.00 1.00 N ATOM 384 CA GLU A 25 -12.778 2.336 0.420 1.00 1.00 C ATOM 385 C GLU A 25 -11.776 3.490 0.237 1.00 1.00 C ATOM 386 O GLU A 25 -10.798 3.360 -0.499 1.00 1.00 O ATOM 387 CB GLU A 25 -14.070 2.577 -0.348 1.00 1.00 C ATOM 388 CG GLU A 25 -14.965 1.349 -0.306 1.00 1.00 C ATOM 389 CD GLU A 25 -16.320 1.544 -0.948 1.00 1.00 C ATOM 390 OE1 GLU A 25 -16.414 1.442 -2.190 1.00 1.00 O ATOM 391 OE2 GLU A 25 -17.299 1.766 -0.206 1.00 1.00 O ATOM 0 H GLU A 25 -14.141 2.193 1.996 1.00 1.00 H new ATOM 0 HA GLU A 25 -12.265 1.455 0.034 1.00 1.00 H new ATOM 0 HB2 GLU A 25 -14.597 3.430 0.078 1.00 1.00 H new ATOM 0 HB3 GLU A 25 -13.840 2.829 -1.383 1.00 1.00 H new ATOM 0 HG2 GLU A 25 -14.455 0.525 -0.805 1.00 1.00 H new ATOM 0 HG3 GLU A 25 -15.108 1.053 0.733 1.00 1.00 H new ATOM 398 N VAL A 26 -12.009 4.600 0.933 1.00 1.00 N ATOM 399 CA VAL A 26 -11.118 5.762 0.863 1.00 1.00 C ATOM 400 C VAL A 26 -9.712 5.442 1.379 1.00 1.00 C ATOM 401 O VAL A 26 -8.722 5.854 0.778 1.00 1.00 O ATOM 402 CB VAL A 26 -11.690 6.962 1.656 1.00 1.00 C ATOM 403 CG1 VAL A 26 -10.681 8.100 1.788 1.00 1.00 C ATOM 404 CG2 VAL A 26 -12.943 7.468 0.979 1.00 1.00 C ATOM 0 H VAL A 26 -12.809 4.722 1.554 1.00 1.00 H new ATOM 0 HA VAL A 26 -11.048 6.028 -0.192 1.00 1.00 H new ATOM 0 HB VAL A 26 -11.922 6.611 2.662 1.00 1.00 H new ATOM 0 HG11 VAL A 26 -11.128 8.919 2.352 1.00 1.00 H new ATOM 0 HG12 VAL A 26 -9.794 7.741 2.310 1.00 1.00 H new ATOM 0 HG13 VAL A 26 -10.399 8.454 0.796 1.00 1.00 H new ATOM 0 HG21 VAL A 26 -13.344 8.313 1.539 1.00 1.00 H new ATOM 0 HG22 VAL A 26 -12.705 7.786 -0.036 1.00 1.00 H new ATOM 0 HG23 VAL A 26 -13.685 6.671 0.945 1.00 1.00 H new ATOM 414 N GLN A 27 -9.596 4.676 2.463 1.00 1.00 N ATOM 415 CA GLN A 27 -8.261 4.387 2.982 1.00 1.00 C ATOM 416 C GLN A 27 -7.527 3.344 2.138 1.00 1.00 C ATOM 417 O GLN A 27 -6.301 3.275 2.157 1.00 1.00 O ATOM 418 CB GLN A 27 -8.258 4.031 4.465 1.00 1.00 C ATOM 419 CG GLN A 27 -9.106 2.841 4.868 1.00 1.00 C ATOM 420 CD GLN A 27 -8.719 2.329 6.244 1.00 1.00 C ATOM 421 OE1 GLN A 27 -7.567 2.412 6.649 1.00 1.00 O ATOM 422 NE2 GLN A 27 -9.675 1.813 6.984 1.00 1.00 N ATOM 0 H GLN A 27 -10.372 4.261 2.979 1.00 1.00 H new ATOM 0 HA GLN A 27 -7.701 5.318 2.897 1.00 1.00 H new ATOM 0 HB2 GLN A 27 -7.229 3.838 4.769 1.00 1.00 H new ATOM 0 HB3 GLN A 27 -8.598 4.901 5.027 1.00 1.00 H new ATOM 0 HG2 GLN A 27 -10.159 3.124 4.866 1.00 1.00 H new ATOM 0 HG3 GLN A 27 -8.989 2.043 4.135 1.00 1.00 H new ATOM 0 HE21 GLN A 27 -10.627 1.756 6.621 1.00 1.00 H new ATOM 0 HE22 GLN A 27 -9.465 1.469 7.921 1.00 1.00 H new ATOM 431 N VAL A 28 -8.269 2.532 1.399 1.00 1.00 N ATOM 432 CA VAL A 28 -7.649 1.583 0.487 1.00 1.00 C ATOM 433 C VAL A 28 -7.252 2.354 -0.774 1.00 1.00 C ATOM 434 O VAL A 28 -6.278 2.029 -1.460 1.00 1.00 O ATOM 435 CB VAL A 28 -8.591 0.415 0.146 1.00 1.00 C ATOM 436 CG1 VAL A 28 -7.966 -0.536 -0.865 1.00 1.00 C ATOM 437 CG2 VAL A 28 -8.973 -0.337 1.412 1.00 1.00 C ATOM 0 H VAL A 28 -9.289 2.511 1.412 1.00 1.00 H new ATOM 0 HA VAL A 28 -6.773 1.137 0.958 1.00 1.00 H new ATOM 0 HB VAL A 28 -9.489 0.834 -0.308 1.00 1.00 H new ATOM 0 HG11 VAL A 28 -8.662 -1.347 -1.080 1.00 1.00 H new ATOM 0 HG12 VAL A 28 -7.744 0.005 -1.785 1.00 1.00 H new ATOM 0 HG13 VAL A 28 -7.044 -0.948 -0.455 1.00 1.00 H new ATOM 0 HG21 VAL A 28 -9.640 -1.161 1.158 1.00 1.00 H new ATOM 0 HG22 VAL A 28 -8.074 -0.730 1.887 1.00 1.00 H new ATOM 0 HG23 VAL A 28 -9.479 0.341 2.099 1.00 1.00 H new ATOM 447 N ALA A 29 -8.014 3.405 -1.058 1.00 1.00 N ATOM 448 CA ALA A 29 -7.716 4.279 -2.176 1.00 1.00 C ATOM 449 C ALA A 29 -6.402 4.999 -1.898 1.00 1.00 C ATOM 450 O ALA A 29 -5.523 5.072 -2.753 1.00 1.00 O ATOM 451 CB ALA A 29 -8.832 5.288 -2.391 1.00 1.00 C ATOM 0 H ALA A 29 -8.843 3.669 -0.525 1.00 1.00 H new ATOM 0 HA ALA A 29 -7.629 3.682 -3.084 1.00 1.00 H new ATOM 0 HB1 ALA A 29 -8.583 5.931 -3.235 1.00 1.00 H new ATOM 0 HB2 ALA A 29 -9.764 4.761 -2.598 1.00 1.00 H new ATOM 0 HB3 ALA A 29 -8.950 5.896 -1.494 1.00 1.00 H new ATOM 457 N LEU A 30 -6.253 5.496 -0.672 1.00 1.00 N ATOM 458 CA LEU A 30 -5.025 6.180 -0.298 1.00 1.00 C ATOM 459 C LEU A 30 -3.879 5.172 -0.139 1.00 1.00 C ATOM 460 O LEU A 30 -2.713 5.506 -0.349 1.00 1.00 O ATOM 461 CB LEU A 30 -5.225 7.067 0.954 1.00 1.00 C ATOM 462 CG LEU A 30 -5.398 6.372 2.323 1.00 1.00 C ATOM 463 CD1 LEU A 30 -4.059 5.977 2.941 1.00 1.00 C ATOM 464 CD2 LEU A 30 -6.156 7.295 3.276 1.00 1.00 C ATOM 0 H LEU A 30 -6.956 5.438 0.065 1.00 1.00 H new ATOM 0 HA LEU A 30 -4.747 6.860 -1.103 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -4.368 7.737 1.027 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -6.103 7.690 0.784 1.00 1.00 H new ATOM 0 HG LEU A 30 -5.966 5.456 2.159 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -4.231 5.492 3.902 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -3.540 5.288 2.275 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -3.449 6.868 3.088 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -6.277 6.802 4.241 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -5.596 8.220 3.409 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -7.137 7.522 2.859 1.00 1.00 H new ATOM 476 N LEU A 31 -4.213 3.926 0.191 1.00 1.00 N ATOM 477 CA LEU A 31 -3.199 2.892 0.324 1.00 1.00 C ATOM 478 C LEU A 31 -2.663 2.546 -1.082 1.00 1.00 C ATOM 479 O LEU A 31 -1.460 2.396 -1.287 1.00 1.00 O ATOM 480 CB LEU A 31 -3.773 1.699 1.136 1.00 1.00 C ATOM 481 CG LEU A 31 -4.421 0.496 0.401 1.00 1.00 C ATOM 482 CD1 LEU A 31 -3.432 -0.316 -0.422 1.00 1.00 C ATOM 483 CD2 LEU A 31 -5.080 -0.406 1.434 1.00 1.00 C ATOM 0 H LEU A 31 -5.168 3.614 0.369 1.00 1.00 H new ATOM 0 HA LEU A 31 -2.336 3.229 0.899 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -2.962 1.305 1.749 1.00 1.00 H new ATOM 0 HB3 LEU A 31 -4.521 2.102 1.818 1.00 1.00 H new ATOM 0 HG LEU A 31 -5.150 0.899 -0.302 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -3.954 -1.141 -0.908 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -2.978 0.323 -1.179 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -2.655 -0.713 0.231 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -5.541 -1.257 0.933 1.00 1.00 H new ATOM 0 HD22 LEU A 31 -4.328 -0.763 2.138 1.00 1.00 H new ATOM 0 HD23 LEU A 31 -5.844 0.155 1.972 1.00 1.00 H new ATOM 495 N THR A 32 -3.566 2.507 -2.060 1.00 1.00 N ATOM 496 CA THR A 32 -3.196 2.240 -3.454 1.00 1.00 C ATOM 497 C THR A 32 -2.459 3.452 -4.038 1.00 1.00 C ATOM 498 O THR A 32 -1.663 3.328 -4.970 1.00 1.00 O ATOM 499 CB THR A 32 -4.444 1.900 -4.297 1.00 1.00 C ATOM 500 OG1 THR A 32 -5.161 0.818 -3.677 1.00 1.00 O ATOM 501 CG2 THR A 32 -4.079 1.503 -5.719 1.00 1.00 C ATOM 0 H THR A 32 -4.564 2.657 -1.914 1.00 1.00 H new ATOM 0 HA THR A 32 -2.530 1.377 -3.481 1.00 1.00 H new ATOM 0 HB THR A 32 -5.065 2.795 -4.344 1.00 1.00 H new ATOM 0 HG1 THR A 32 -5.603 1.142 -2.864 1.00 1.00 H new ATOM 0 HG21 THR A 32 -4.987 1.272 -6.277 1.00 1.00 H new ATOM 0 HG22 THR A 32 -3.555 2.327 -6.204 1.00 1.00 H new ATOM 0 HG23 THR A 32 -3.433 0.625 -5.697 1.00 1.00 H new ATOM 509 N LEU A 33 -2.728 4.627 -3.471 1.00 1.00 N ATOM 510 CA LEU A 33 -2.055 5.855 -3.884 1.00 1.00 C ATOM 511 C LEU A 33 -0.590 5.814 -3.435 1.00 1.00 C ATOM 512 O LEU A 33 0.311 5.969 -4.247 1.00 1.00 O ATOM 513 CB LEU A 33 -2.760 7.080 -3.284 1.00 1.00 C ATOM 514 CG LEU A 33 -2.136 8.445 -3.610 1.00 1.00 C ATOM 515 CD1 LEU A 33 -2.155 8.712 -5.109 1.00 1.00 C ATOM 516 CD2 LEU A 33 -2.876 9.548 -2.865 1.00 1.00 C ATOM 0 H LEU A 33 -3.409 4.753 -2.722 1.00 1.00 H new ATOM 0 HA LEU A 33 -2.095 5.934 -4.970 1.00 1.00 H new ATOM 0 HB2 LEU A 33 -3.794 7.084 -3.629 1.00 1.00 H new ATOM 0 HB3 LEU A 33 -2.786 6.965 -2.200 1.00 1.00 H new ATOM 0 HG LEU A 33 -1.096 8.433 -3.285 1.00 1.00 H new ATOM 0 HD11 LEU A 33 -1.707 9.685 -5.311 1.00 1.00 H new ATOM 0 HD12 LEU A 33 -1.587 7.937 -5.624 1.00 1.00 H new ATOM 0 HD13 LEU A 33 -3.185 8.705 -5.467 1.00 1.00 H new ATOM 0 HD21 LEU A 33 -2.426 10.512 -3.102 1.00 1.00 H new ATOM 0 HD22 LEU A 33 -3.923 9.552 -3.167 1.00 1.00 H new ATOM 0 HD23 LEU A 33 -2.809 9.371 -1.792 1.00 1.00 H new ATOM 528 N ARG A 34 -0.353 5.558 -2.140 1.00 1.00 N ATOM 529 CA ARG A 34 1.021 5.496 -1.629 1.00 1.00 C ATOM 530 C ARG A 34 1.797 4.346 -2.267 1.00 1.00 C ATOM 531 O ARG A 34 3.020 4.323 -2.232 1.00 1.00 O ATOM 532 CB ARG A 34 1.078 5.459 -0.101 1.00 1.00 C ATOM 533 CG ARG A 34 0.207 4.407 0.552 1.00 1.00 C ATOM 534 CD ARG A 34 0.328 4.458 2.078 1.00 1.00 C ATOM 535 NE ARG A 34 -0.048 5.770 2.635 1.00 1.00 N ATOM 536 CZ ARG A 34 0.043 6.095 3.904 1.00 1.00 C ATOM 537 NH1 ARG A 34 0.473 5.234 4.774 1.00 1.00 N ATOM 538 NH2 ARG A 34 -0.293 7.290 4.294 1.00 1.00 N ATOM 0 H ARG A 34 -1.078 5.394 -1.442 1.00 1.00 H new ATOM 0 HA ARG A 34 1.514 6.423 -1.923 1.00 1.00 H new ATOM 0 HB2 ARG A 34 2.111 5.293 0.204 1.00 1.00 H new ATOM 0 HB3 ARG A 34 0.786 6.437 0.281 1.00 1.00 H new ATOM 0 HG2 ARG A 34 -0.832 4.560 0.262 1.00 1.00 H new ATOM 0 HG3 ARG A 34 0.496 3.419 0.194 1.00 1.00 H new ATOM 0 HD2 ARG A 34 -0.307 3.687 2.515 1.00 1.00 H new ATOM 0 HD3 ARG A 34 1.354 4.226 2.365 1.00 1.00 H new ATOM 0 HE ARG A 34 -0.404 6.475 1.989 1.00 1.00 H new ATOM 0 HH11 ARG A 34 0.743 4.297 4.474 1.00 1.00 H new ATOM 0 HH12 ARG A 34 0.541 5.494 5.758 1.00 1.00 H new ATOM 0 HH21 ARG A 34 -0.627 7.973 3.614 1.00 1.00 H new ATOM 0 HH22 ARG A 34 -0.223 7.543 5.280 1.00 1.00 H new ATOM 552 N ILE A 35 1.098 3.350 -2.787 1.00 1.00 N ATOM 553 CA ILE A 35 1.788 2.341 -3.548 1.00 1.00 C ATOM 554 C ILE A 35 2.093 2.969 -4.913 1.00 1.00 C ATOM 555 O ILE A 35 3.249 3.277 -5.212 1.00 1.00 O ATOM 556 CB ILE A 35 0.973 1.047 -3.791 1.00 1.00 C ATOM 557 CG1 ILE A 35 0.570 0.397 -2.470 1.00 1.00 C ATOM 558 CG2 ILE A 35 1.784 0.067 -4.640 1.00 1.00 C ATOM 559 CD1 ILE A 35 -0.302 -0.834 -2.631 1.00 1.00 C ATOM 0 H ILE A 35 0.090 3.226 -2.698 1.00 1.00 H new ATOM 0 HA ILE A 35 2.669 2.041 -2.981 1.00 1.00 H new ATOM 0 HB ILE A 35 0.062 1.312 -4.328 1.00 1.00 H new ATOM 0 HG12 ILE A 35 1.471 0.123 -1.922 1.00 1.00 H new ATOM 0 HG13 ILE A 35 0.038 1.130 -1.863 1.00 1.00 H new ATOM 0 HG21 ILE A 35 1.202 -0.840 -4.805 1.00 1.00 H new ATOM 0 HG22 ILE A 35 2.020 0.526 -5.600 1.00 1.00 H new ATOM 0 HG23 ILE A 35 2.709 -0.185 -4.121 1.00 1.00 H new ATOM 0 HD11 ILE A 35 -0.546 -1.238 -1.649 1.00 1.00 H new ATOM 0 HD12 ILE A 35 -1.221 -0.563 -3.150 1.00 1.00 H new ATOM 0 HD13 ILE A 35 0.234 -1.586 -3.210 1.00 1.00 H new ATOM 571 N ASN A 36 0.996 3.277 -5.658 1.00 1.00 N ATOM 572 CA ASN A 36 1.052 3.807 -7.036 1.00 1.00 C ATOM 573 C ASN A 36 2.261 3.214 -7.708 1.00 1.00 C ATOM 574 O ASN A 36 3.258 3.880 -7.970 1.00 1.00 O ATOM 575 CB ASN A 36 1.028 5.340 -7.118 1.00 1.00 C ATOM 576 CG ASN A 36 0.802 5.838 -8.542 1.00 1.00 C ATOM 577 OD1 ASN A 36 1.318 6.868 -8.941 1.00 1.00 O ATOM 578 ND2 ASN A 36 0.011 5.120 -9.324 1.00 1.00 N ATOM 0 H ASN A 36 0.044 3.161 -5.310 1.00 1.00 H new ATOM 0 HA ASN A 36 0.144 3.509 -7.560 1.00 1.00 H new ATOM 0 HB2 ASN A 36 0.239 5.724 -6.471 1.00 1.00 H new ATOM 0 HB3 ASN A 36 1.971 5.737 -6.742 1.00 1.00 H new ATOM 0 HD21 ASN A 36 -0.176 5.426 -10.279 1.00 1.00 H new ATOM 0 HD22 ASN A 36 -0.411 4.261 -8.972 1.00 1.00 H new ATOM 585 N ARG A 37 2.131 1.896 -7.885 1.00 1.00 N ATOM 586 CA ARG A 37 3.181 1.036 -8.433 1.00 1.00 C ATOM 587 C ARG A 37 4.490 1.450 -7.780 1.00 1.00 C ATOM 588 O ARG A 37 5.348 2.006 -8.449 1.00 1.00 O ATOM 589 CB ARG A 37 3.225 1.124 -9.959 1.00 1.00 C ATOM 590 CG ARG A 37 1.961 0.610 -10.651 1.00 1.00 C ATOM 591 CD ARG A 37 1.591 -0.801 -10.183 1.00 1.00 C ATOM 592 NE ARG A 37 2.753 -1.706 -10.167 1.00 1.00 N ATOM 593 CZ ARG A 37 2.957 -2.634 -9.260 1.00 1.00 C ATOM 594 NH1 ARG A 37 2.044 -2.914 -8.386 1.00 1.00 N ATOM 595 NH2 ARG A 37 4.069 -3.302 -9.252 1.00 1.00 N ATOM 0 H ARG A 37 1.278 1.389 -7.647 1.00 1.00 H new ATOM 0 HA ARG A 37 2.984 -0.013 -8.211 1.00 1.00 H new ATOM 0 HB2 ARG A 37 3.388 2.162 -10.248 1.00 1.00 H new ATOM 0 HB3 ARG A 37 4.081 0.555 -10.321 1.00 1.00 H new ATOM 0 HG2 ARG A 37 1.133 1.289 -10.448 1.00 1.00 H new ATOM 0 HG3 ARG A 37 2.113 0.607 -11.730 1.00 1.00 H new ATOM 0 HD2 ARG A 37 1.160 -0.749 -9.183 1.00 1.00 H new ATOM 0 HD3 ARG A 37 0.823 -1.210 -10.840 1.00 1.00 H new ATOM 0 HE ARG A 37 3.445 -1.605 -10.909 1.00 1.00 H new ATOM 0 HH11 ARG A 37 1.156 -2.412 -8.397 1.00 1.00 H new ATOM 0 HH12 ARG A 37 2.213 -3.636 -7.686 1.00 1.00 H new ATOM 0 HH21 ARG A 37 4.786 -3.107 -9.951 1.00 1.00 H new ATOM 0 HH22 ARG A 37 4.226 -4.022 -8.547 1.00 1.00 H new ATOM 609 N LEU A 38 4.629 0.995 -6.508 1.00 1.00 N ATOM 610 CA LEU A 38 5.646 1.446 -5.491 1.00 1.00 C ATOM 611 C LEU A 38 6.590 2.563 -5.919 1.00 1.00 C ATOM 612 O LEU A 38 7.726 2.682 -5.471 1.00 1.00 O ATOM 613 CB LEU A 38 6.341 0.318 -4.738 1.00 1.00 C ATOM 614 CG LEU A 38 7.407 -0.470 -5.476 1.00 1.00 C ATOM 615 CD1 LEU A 38 8.175 -1.325 -4.487 1.00 1.00 C ATOM 616 CD2 LEU A 38 6.789 -1.341 -6.550 1.00 1.00 C ATOM 0 H LEU A 38 4.014 0.272 -6.135 1.00 1.00 H new ATOM 0 HA LEU A 38 5.007 1.934 -4.755 1.00 1.00 H new ATOM 0 HB2 LEU A 38 6.797 0.743 -3.844 1.00 1.00 H new ATOM 0 HB3 LEU A 38 5.576 -0.383 -4.404 1.00 1.00 H new ATOM 0 HG LEU A 38 8.089 0.229 -5.961 1.00 1.00 H new ATOM 0 HD11 LEU A 38 8.942 -1.892 -5.015 1.00 1.00 H new ATOM 0 HD12 LEU A 38 8.646 -0.685 -3.741 1.00 1.00 H new ATOM 0 HD13 LEU A 38 7.490 -2.014 -3.993 1.00 1.00 H new ATOM 0 HD21 LEU A 38 7.574 -1.896 -7.065 1.00 1.00 H new ATOM 0 HD22 LEU A 38 6.090 -2.041 -6.093 1.00 1.00 H new ATOM 0 HD23 LEU A 38 6.258 -0.714 -7.266 1.00 1.00 H new ATOM 628 N SER A 39 5.972 3.457 -6.648 1.00 1.00 N ATOM 629 CA SER A 39 6.564 4.635 -7.192 1.00 1.00 C ATOM 630 C SER A 39 6.323 5.715 -6.182 1.00 1.00 C ATOM 631 O SER A 39 7.255 6.322 -5.672 1.00 1.00 O ATOM 632 CB SER A 39 5.866 4.973 -8.512 1.00 1.00 C ATOM 633 OG SER A 39 6.354 6.174 -9.086 1.00 1.00 O ATOM 0 H SER A 39 4.984 3.369 -6.887 1.00 1.00 H new ATOM 0 HA SER A 39 7.629 4.516 -7.392 1.00 1.00 H new ATOM 0 HB2 SER A 39 6.007 4.153 -9.216 1.00 1.00 H new ATOM 0 HB3 SER A 39 4.793 5.064 -8.340 1.00 1.00 H new ATOM 0 HG SER A 39 5.882 6.350 -9.927 1.00 1.00 H new ATOM 639 N GLU A 40 5.056 5.875 -5.813 1.00 1.00 N ATOM 640 CA GLU A 40 4.701 6.866 -4.812 1.00 1.00 C ATOM 641 C GLU A 40 5.139 6.371 -3.439 1.00 1.00 C ATOM 642 O GLU A 40 5.041 7.064 -2.430 1.00 1.00 O ATOM 643 CB GLU A 40 3.218 7.204 -4.853 1.00 1.00 C ATOM 644 CG GLU A 40 2.863 8.007 -6.092 1.00 1.00 C ATOM 645 CD GLU A 40 3.772 9.211 -6.278 1.00 1.00 C ATOM 646 OE1 GLU A 40 3.836 10.056 -5.361 1.00 1.00 O ATOM 647 OE2 GLU A 40 4.447 9.297 -7.333 1.00 1.00 O ATOM 0 H GLU A 40 4.272 5.340 -6.186 1.00 1.00 H new ATOM 0 HA GLU A 40 5.226 7.796 -5.031 1.00 1.00 H new ATOM 0 HB2 GLU A 40 2.634 6.284 -4.835 1.00 1.00 H new ATOM 0 HB3 GLU A 40 2.948 7.770 -3.962 1.00 1.00 H new ATOM 0 HG2 GLU A 40 2.930 7.365 -6.970 1.00 1.00 H new ATOM 0 HG3 GLU A 40 1.828 8.343 -6.021 1.00 1.00 H new ATOM 654 N HIS A 41 5.634 5.145 -3.440 1.00 1.00 N ATOM 655 CA HIS A 41 6.180 4.524 -2.260 1.00 1.00 C ATOM 656 C HIS A 41 7.625 4.990 -2.104 1.00 1.00 C ATOM 657 O HIS A 41 7.977 5.642 -1.132 1.00 1.00 O ATOM 658 CB HIS A 41 6.122 3.001 -2.430 1.00 1.00 C ATOM 659 CG HIS A 41 6.757 2.197 -1.328 1.00 1.00 C ATOM 660 ND1 HIS A 41 8.033 1.672 -1.395 1.00 1.00 N ATOM 661 CD2 HIS A 41 6.242 1.767 -0.149 1.00 1.00 C ATOM 662 CE1 HIS A 41 8.243 0.952 -0.286 1.00 1.00 C ATOM 663 NE2 HIS A 41 7.186 0.977 0.503 1.00 1.00 N ATOM 0 H HIS A 41 5.665 4.553 -4.270 1.00 1.00 H new ATOM 0 HA HIS A 41 5.611 4.800 -1.372 1.00 1.00 H new ATOM 0 HB2 HIS A 41 5.077 2.703 -2.516 1.00 1.00 H new ATOM 0 HB3 HIS A 41 6.607 2.740 -3.371 1.00 1.00 H new ATOM 0 HD2 HIS A 41 5.256 2.000 0.225 1.00 1.00 H new ATOM 0 HE1 HIS A 41 9.157 0.421 -0.066 1.00 1.00 H new ATOM 0 HE2 HIS A 41 7.081 0.513 1.405 1.00 1.00 H new ATOM 671 N LEU A 42 8.434 4.728 -3.131 1.00 1.00 N ATOM 672 CA LEU A 42 9.855 5.078 -3.104 1.00 1.00 C ATOM 673 C LEU A 42 10.116 6.592 -3.205 1.00 1.00 C ATOM 674 O LEU A 42 11.250 7.034 -3.063 1.00 1.00 O ATOM 675 CB LEU A 42 10.599 4.332 -4.210 1.00 1.00 C ATOM 676 CG LEU A 42 10.619 2.803 -4.068 1.00 1.00 C ATOM 677 CD1 LEU A 42 11.323 2.178 -5.261 1.00 1.00 C ATOM 678 CD2 LEU A 42 11.299 2.375 -2.772 1.00 1.00 C ATOM 0 H LEU A 42 8.130 4.274 -3.992 1.00 1.00 H new ATOM 0 HA LEU A 42 10.234 4.770 -2.130 1.00 1.00 H new ATOM 0 HB2 LEU A 42 10.144 4.586 -5.167 1.00 1.00 H new ATOM 0 HB3 LEU A 42 11.628 4.692 -4.241 1.00 1.00 H new ATOM 0 HG LEU A 42 9.587 2.453 -4.036 1.00 1.00 H new ATOM 0 HD11 LEU A 42 11.332 1.094 -5.151 1.00 1.00 H new ATOM 0 HD12 LEU A 42 10.795 2.446 -6.176 1.00 1.00 H new ATOM 0 HD13 LEU A 42 12.348 2.546 -5.313 1.00 1.00 H new ATOM 0 HD21 LEU A 42 11.297 1.287 -2.702 1.00 1.00 H new ATOM 0 HD22 LEU A 42 12.327 2.737 -2.764 1.00 1.00 H new ATOM 0 HD23 LEU A 42 10.760 2.794 -1.923 1.00 1.00 H new ATOM 690 N LYS A 43 9.090 7.392 -3.476 1.00 1.00 N ATOM 691 CA LYS A 43 9.281 8.848 -3.512 1.00 1.00 C ATOM 692 C LYS A 43 9.067 9.432 -2.112 1.00 1.00 C ATOM 693 O LYS A 43 9.167 10.637 -1.879 1.00 1.00 O ATOM 694 CB LYS A 43 8.369 9.496 -4.537 1.00 1.00 C ATOM 695 CG LYS A 43 8.648 8.992 -5.938 1.00 1.00 C ATOM 696 CD LYS A 43 7.695 9.598 -6.946 1.00 1.00 C ATOM 697 CE LYS A 43 7.849 8.962 -8.318 1.00 1.00 C ATOM 698 NZ LYS A 43 9.235 9.091 -8.852 1.00 1.00 N ATOM 0 H LYS A 43 8.140 7.074 -3.670 1.00 1.00 H new ATOM 0 HA LYS A 43 10.304 9.063 -3.821 1.00 1.00 H new ATOM 0 HB2 LYS A 43 7.330 9.293 -4.278 1.00 1.00 H new ATOM 0 HB3 LYS A 43 8.500 10.578 -4.507 1.00 1.00 H new ATOM 0 HG2 LYS A 43 9.674 9.234 -6.215 1.00 1.00 H new ATOM 0 HG3 LYS A 43 8.559 7.906 -5.959 1.00 1.00 H new ATOM 0 HD2 LYS A 43 6.669 9.471 -6.599 1.00 1.00 H new ATOM 0 HD3 LYS A 43 7.876 10.670 -7.019 1.00 1.00 H new ATOM 0 HE2 LYS A 43 7.582 7.907 -8.258 1.00 1.00 H new ATOM 0 HE3 LYS A 43 7.150 9.429 -9.012 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 9.265 8.734 -9.828 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 9.520 10.091 -8.840 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 9.888 8.538 -8.261 1.00 1.00 H new ATOM 712 N VAL A 44 8.781 8.529 -1.192 1.00 1.00 N ATOM 713 CA VAL A 44 8.603 8.840 0.219 1.00 1.00 C ATOM 714 C VAL A 44 9.611 7.991 0.975 1.00 1.00 C ATOM 715 O VAL A 44 10.341 8.466 1.846 1.00 1.00 O ATOM 716 CB VAL A 44 7.177 8.526 0.712 1.00 1.00 C ATOM 717 CG1 VAL A 44 7.049 8.796 2.203 1.00 1.00 C ATOM 718 CG2 VAL A 44 6.151 9.336 -0.062 1.00 1.00 C ATOM 0 H VAL A 44 8.663 7.539 -1.406 1.00 1.00 H new ATOM 0 HA VAL A 44 8.755 9.906 0.385 1.00 1.00 H new ATOM 0 HB VAL A 44 6.985 7.467 0.537 1.00 1.00 H new ATOM 0 HG11 VAL A 44 6.034 8.567 2.528 1.00 1.00 H new ATOM 0 HG12 VAL A 44 7.755 8.169 2.748 1.00 1.00 H new ATOM 0 HG13 VAL A 44 7.266 9.845 2.403 1.00 1.00 H new ATOM 0 HG21 VAL A 44 5.151 9.099 0.302 1.00 1.00 H new ATOM 0 HG22 VAL A 44 6.346 10.399 0.078 1.00 1.00 H new ATOM 0 HG23 VAL A 44 6.219 9.091 -1.122 1.00 1.00 H new ATOM 728 N HIS A 45 9.647 6.723 0.588 1.00 1.00 N ATOM 729 CA HIS A 45 10.589 5.764 1.120 1.00 1.00 C ATOM 730 C HIS A 45 11.914 5.975 0.406 1.00 1.00 C ATOM 731 O HIS A 45 12.179 5.425 -0.663 1.00 1.00 O ATOM 732 CB HIS A 45 10.069 4.346 0.912 1.00 1.00 C ATOM 733 CG HIS A 45 8.907 4.002 1.794 1.00 1.00 C ATOM 734 ND1 HIS A 45 8.956 3.070 2.805 1.00 1.00 N ATOM 735 CD2 HIS A 45 7.640 4.491 1.801 1.00 1.00 C ATOM 736 CE1 HIS A 45 7.748 3.016 3.375 1.00 1.00 C ATOM 737 NE2 HIS A 45 6.911 3.859 2.807 1.00 1.00 N ATOM 0 H HIS A 45 9.015 6.334 -0.111 1.00 1.00 H new ATOM 0 HA HIS A 45 10.722 5.905 2.193 1.00 1.00 H new ATOM 0 HB2 HIS A 45 9.773 4.225 -0.130 1.00 1.00 H new ATOM 0 HB3 HIS A 45 10.878 3.640 1.098 1.00 1.00 H new ATOM 0 HD1 HIS A 45 9.771 2.518 3.072 1.00 1.00 H new ATOM 0 HD2 HIS A 45 7.258 5.249 1.133 1.00 1.00 H new ATOM 0 HE1 HIS A 45 7.491 2.364 4.197 1.00 1.00 H new ATOM 745 N LYS A 46 12.719 6.808 1.008 1.00 1.00 N ATOM 746 CA LYS A 46 14.003 7.181 0.463 1.00 1.00 C ATOM 747 C LYS A 46 15.021 7.150 1.592 1.00 1.00 C ATOM 748 O LYS A 46 15.048 8.019 2.467 1.00 1.00 O ATOM 749 CB LYS A 46 13.904 8.550 -0.228 1.00 1.00 C ATOM 750 CG LYS A 46 13.044 9.560 0.522 1.00 1.00 C ATOM 751 CD LYS A 46 12.819 10.827 -0.290 1.00 1.00 C ATOM 752 CE LYS A 46 11.756 11.719 0.339 1.00 1.00 C ATOM 753 NZ LYS A 46 12.108 12.131 1.728 1.00 1.00 N ATOM 0 H LYS A 46 12.503 7.253 1.900 1.00 1.00 H new ATOM 0 HA LYS A 46 14.329 6.480 -0.305 1.00 1.00 H new ATOM 0 HB2 LYS A 46 14.907 8.959 -0.347 1.00 1.00 H new ATOM 0 HB3 LYS A 46 13.495 8.412 -1.229 1.00 1.00 H new ATOM 0 HG2 LYS A 46 12.082 9.109 0.765 1.00 1.00 H new ATOM 0 HG3 LYS A 46 13.524 9.815 1.467 1.00 1.00 H new ATOM 0 HD2 LYS A 46 13.756 11.379 -0.370 1.00 1.00 H new ATOM 0 HD3 LYS A 46 12.518 10.561 -1.303 1.00 1.00 H new ATOM 0 HE2 LYS A 46 11.621 12.608 -0.277 1.00 1.00 H new ATOM 0 HE3 LYS A 46 10.803 11.191 0.350 1.00 1.00 H new ATOM 0 HZ1 LYS A 46 11.397 12.803 2.081 1.00 1.00 H new ATOM 0 HZ2 LYS A 46 12.129 11.293 2.344 1.00 1.00 H new ATOM 0 HZ3 LYS A 46 13.044 12.584 1.729 1.00 1.00 H new ATOM 767 N LYS A 47 15.789 6.071 1.570 1.00 1.00 N ATOM 768 CA LYS A 47 16.809 5.736 2.566 1.00 1.00 C ATOM 769 C LYS A 47 16.165 5.046 3.770 1.00 1.00 C ATOM 770 O LYS A 47 16.772 4.842 4.815 1.00 1.00 O ATOM 771 CB LYS A 47 17.715 6.902 2.965 1.00 1.00 C ATOM 772 CG LYS A 47 18.551 7.432 1.804 1.00 1.00 C ATOM 773 CD LYS A 47 19.385 6.329 1.156 1.00 1.00 C ATOM 774 CE LYS A 47 20.131 6.831 -0.071 1.00 1.00 C ATOM 775 NZ LYS A 47 20.758 5.712 -0.827 1.00 1.00 N ATOM 0 H LYS A 47 15.720 5.373 0.829 1.00 1.00 H new ATOM 0 HA LYS A 47 17.492 5.034 2.088 1.00 1.00 H new ATOM 0 HB2 LYS A 47 17.103 7.711 3.363 1.00 1.00 H new ATOM 0 HB3 LYS A 47 18.380 6.581 3.767 1.00 1.00 H new ATOM 0 HG2 LYS A 47 17.894 7.878 1.057 1.00 1.00 H new ATOM 0 HG3 LYS A 47 19.210 8.223 2.162 1.00 1.00 H new ATOM 0 HD2 LYS A 47 20.099 5.940 1.882 1.00 1.00 H new ATOM 0 HD3 LYS A 47 18.735 5.501 0.873 1.00 1.00 H new ATOM 0 HE2 LYS A 47 19.442 7.369 -0.722 1.00 1.00 H new ATOM 0 HE3 LYS A 47 20.900 7.540 0.235 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 21.258 6.091 -1.657 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 21.434 5.214 -0.213 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 20.021 5.049 -1.140 1.00 1.00 H new ATOM 789 N ASP A 48 14.910 4.692 3.572 1.00 1.00 N ATOM 790 CA ASP A 48 14.134 3.908 4.515 1.00 1.00 C ATOM 791 C ASP A 48 13.652 2.740 3.686 1.00 1.00 C ATOM 792 O ASP A 48 12.596 2.780 3.061 1.00 1.00 O ATOM 793 CB ASP A 48 12.955 4.671 5.125 1.00 1.00 C ATOM 794 CG ASP A 48 12.233 3.846 6.180 1.00 1.00 C ATOM 795 OD1 ASP A 48 11.434 2.956 5.800 1.00 1.00 O ATOM 796 OD2 ASP A 48 12.472 4.075 7.380 1.00 1.00 O ATOM 0 H ASP A 48 14.389 4.947 2.733 1.00 1.00 H new ATOM 0 HA ASP A 48 14.733 3.621 5.379 1.00 1.00 H new ATOM 0 HB2 ASP A 48 13.314 5.598 5.572 1.00 1.00 H new ATOM 0 HB3 ASP A 48 12.254 4.947 4.337 1.00 1.00 H new ATOM 801 N HIS A 49 14.504 1.746 3.585 1.00 1.00 N ATOM 802 CA HIS A 49 14.206 0.583 2.772 1.00 1.00 C ATOM 803 C HIS A 49 14.033 -0.646 3.654 1.00 1.00 C ATOM 804 O HIS A 49 14.040 -1.776 3.183 1.00 1.00 O ATOM 805 CB HIS A 49 15.314 0.370 1.734 1.00 1.00 C ATOM 806 CG HIS A 49 15.450 1.505 0.755 1.00 1.00 C ATOM 807 ND1 HIS A 49 14.914 1.501 -0.516 1.00 1.00 N ATOM 808 CD2 HIS A 49 16.075 2.703 0.888 1.00 1.00 C ATOM 809 CE1 HIS A 49 15.220 2.670 -1.097 1.00 1.00 C ATOM 810 NE2 HIS A 49 15.924 3.435 -0.285 1.00 1.00 N ATOM 0 H HIS A 49 15.409 1.717 4.054 1.00 1.00 H new ATOM 0 HA HIS A 49 13.269 0.749 2.240 1.00 1.00 H new ATOM 0 HB2 HIS A 49 16.263 0.232 2.252 1.00 1.00 H new ATOM 0 HB3 HIS A 49 15.114 -0.550 1.185 1.00 1.00 H new ATOM 0 HD1 HIS A 49 14.379 0.743 -0.939 1.00 1.00 H new ATOM 0 HD2 HIS A 49 16.606 3.036 1.767 1.00 1.00 H new ATOM 0 HE1 HIS A 49 14.928 2.949 -2.099 1.00 1.00 H new ATOM 818 N HIS A 50 13.866 -0.398 4.951 1.00 1.00 N ATOM 819 CA HIS A 50 13.647 -1.466 5.930 1.00 1.00 C ATOM 820 C HIS A 50 12.151 -1.738 5.990 1.00 1.00 C ATOM 821 O HIS A 50 11.624 -2.437 6.854 1.00 1.00 O ATOM 822 CB HIS A 50 14.201 -1.035 7.293 1.00 1.00 C ATOM 823 CG HIS A 50 14.149 -2.089 8.362 1.00 1.00 C ATOM 824 ND1 HIS A 50 13.277 -2.062 9.429 1.00 1.00 N ATOM 825 CD2 HIS A 50 14.907 -3.202 8.529 1.00 1.00 C ATOM 826 CE1 HIS A 50 13.529 -3.131 10.196 1.00 1.00 C ATOM 827 NE2 HIS A 50 14.508 -3.855 9.692 1.00 1.00 N ATOM 0 H HIS A 50 13.878 0.539 5.353 1.00 1.00 H new ATOM 0 HA HIS A 50 14.167 -2.380 5.644 1.00 1.00 H new ATOM 0 HB2 HIS A 50 15.237 -0.720 7.164 1.00 1.00 H new ATOM 0 HB3 HIS A 50 13.643 -0.163 7.636 1.00 1.00 H new ATOM 0 HD2 HIS A 50 15.694 -3.529 7.866 1.00 1.00 H new ATOM 0 HE1 HIS A 50 13.000 -3.368 11.107 1.00 1.00 H new ATOM 0 HE2 HIS A 50 14.894 -4.718 10.076 1.00 1.00 H new ATOM 835 N SER A 51 11.494 -1.165 5.016 1.00 1.00 N ATOM 836 CA SER A 51 10.077 -1.258 4.858 1.00 1.00 C ATOM 837 C SER A 51 9.761 -1.958 3.540 1.00 1.00 C ATOM 838 O SER A 51 10.609 -2.060 2.657 1.00 1.00 O ATOM 839 CB SER A 51 9.497 0.159 4.911 1.00 1.00 C ATOM 840 OG SER A 51 10.306 1.072 4.179 1.00 1.00 O ATOM 0 H SER A 51 11.948 -0.606 4.293 1.00 1.00 H new ATOM 0 HA SER A 51 9.626 -1.848 5.656 1.00 1.00 H new ATOM 0 HB2 SER A 51 8.486 0.157 4.503 1.00 1.00 H new ATOM 0 HB3 SER A 51 9.422 0.486 5.948 1.00 1.00 H new ATOM 0 HG SER A 51 10.614 1.787 4.775 1.00 1.00 H new ATOM 846 N HIS A 52 8.552 -2.452 3.418 1.00 1.00 N ATOM 847 CA HIS A 52 8.134 -3.167 2.219 1.00 1.00 C ATOM 848 C HIS A 52 6.630 -3.002 2.019 1.00 1.00 C ATOM 849 O HIS A 52 5.939 -3.904 1.543 1.00 1.00 O ATOM 850 CB HIS A 52 8.545 -4.656 2.300 1.00 1.00 C ATOM 851 CG HIS A 52 8.047 -5.414 3.507 1.00 1.00 C ATOM 852 ND1 HIS A 52 7.321 -6.586 3.428 1.00 1.00 N ATOM 853 CD2 HIS A 52 8.238 -5.189 4.835 1.00 1.00 C ATOM 854 CE1 HIS A 52 7.099 -7.021 4.677 1.00 1.00 C ATOM 855 NE2 HIS A 52 7.635 -6.210 5.564 1.00 1.00 N ATOM 0 H HIS A 52 7.831 -2.375 4.135 1.00 1.00 H new ATOM 0 HA HIS A 52 8.639 -2.743 1.351 1.00 1.00 H new ATOM 0 HB2 HIS A 52 8.185 -5.161 1.404 1.00 1.00 H new ATOM 0 HB3 HIS A 52 9.633 -4.714 2.283 1.00 1.00 H new ATOM 0 HD2 HIS A 52 8.773 -4.351 5.257 1.00 1.00 H new ATOM 0 HE1 HIS A 52 6.552 -7.919 4.923 1.00 1.00 H new ATOM 0 HE2 HIS A 52 7.613 -6.309 6.579 1.00 1.00 H new ATOM 863 N ARG A 53 6.141 -1.810 2.365 1.00 1.00 N ATOM 864 CA ARG A 53 4.719 -1.487 2.250 1.00 1.00 C ATOM 865 C ARG A 53 4.248 -1.581 0.794 1.00 1.00 C ATOM 866 O ARG A 53 3.120 -1.972 0.520 1.00 1.00 O ATOM 867 CB ARG A 53 4.444 -0.080 2.797 1.00 1.00 C ATOM 868 CG ARG A 53 4.803 0.101 4.267 1.00 1.00 C ATOM 869 CD ARG A 53 4.526 1.530 4.741 1.00 1.00 C ATOM 870 NE ARG A 53 4.894 1.738 6.150 1.00 1.00 N ATOM 871 CZ ARG A 53 5.236 2.895 6.675 1.00 1.00 C ATOM 872 NH1 ARG A 53 5.275 3.971 5.951 1.00 1.00 N ATOM 873 NH2 ARG A 53 5.549 2.965 7.933 1.00 1.00 N ATOM 0 H ARG A 53 6.713 -1.048 2.729 1.00 1.00 H new ATOM 0 HA ARG A 53 4.162 -2.215 2.840 1.00 1.00 H new ATOM 0 HB2 ARG A 53 5.006 0.643 2.206 1.00 1.00 H new ATOM 0 HB3 ARG A 53 3.387 0.150 2.662 1.00 1.00 H new ATOM 0 HG2 ARG A 53 4.229 -0.601 4.872 1.00 1.00 H new ATOM 0 HG3 ARG A 53 5.856 -0.135 4.417 1.00 1.00 H new ATOM 0 HD2 ARG A 53 5.081 2.230 4.117 1.00 1.00 H new ATOM 0 HD3 ARG A 53 3.468 1.755 4.608 1.00 1.00 H new ATOM 0 HE ARG A 53 4.883 0.925 6.766 1.00 1.00 H new ATOM 0 HH11 ARG A 53 5.038 3.928 4.960 1.00 1.00 H new ATOM 0 HH12 ARG A 53 5.542 4.860 6.373 1.00 1.00 H new ATOM 0 HH21 ARG A 53 5.529 2.125 8.511 1.00 1.00 H new ATOM 0 HH22 ARG A 53 5.815 3.860 8.343 1.00 1.00 H new ATOM 887 N GLY A 54 5.135 -1.230 -0.133 1.00 1.00 N ATOM 888 CA GLY A 54 4.803 -1.292 -1.550 1.00 1.00 C ATOM 889 C GLY A 54 4.797 -2.713 -2.086 1.00 1.00 C ATOM 890 O GLY A 54 4.348 -2.969 -3.202 1.00 1.00 O ATOM 0 H GLY A 54 6.080 -0.903 0.070 1.00 1.00 H new ATOM 0 HA2 GLY A 54 3.823 -0.843 -1.710 1.00 1.00 H new ATOM 0 HA3 GLY A 54 5.522 -0.698 -2.114 1.00 1.00 H new ATOM 894 N LEU A 55 5.314 -3.635 -1.288 1.00 1.00 N ATOM 895 CA LEU A 55 5.347 -5.038 -1.668 1.00 1.00 C ATOM 896 C LEU A 55 4.077 -5.743 -1.157 1.00 1.00 C ATOM 897 O LEU A 55 3.108 -5.093 -0.758 1.00 1.00 O ATOM 898 CB LEU A 55 6.606 -5.733 -1.109 1.00 1.00 C ATOM 899 CG LEU A 55 7.945 -5.415 -1.811 1.00 1.00 C ATOM 900 CD1 LEU A 55 8.409 -3.987 -1.540 1.00 1.00 C ATOM 901 CD2 LEU A 55 9.016 -6.405 -1.364 1.00 1.00 C ATOM 0 H LEU A 55 5.717 -3.436 -0.372 1.00 1.00 H new ATOM 0 HA LEU A 55 5.383 -5.103 -2.755 1.00 1.00 H new ATOM 0 HB2 LEU A 55 6.702 -5.467 -0.056 1.00 1.00 H new ATOM 0 HB3 LEU A 55 6.447 -6.810 -1.152 1.00 1.00 H new ATOM 0 HG LEU A 55 7.783 -5.509 -2.885 1.00 1.00 H new ATOM 0 HD11 LEU A 55 9.354 -3.808 -2.053 1.00 1.00 H new ATOM 0 HD12 LEU A 55 7.659 -3.285 -1.905 1.00 1.00 H new ATOM 0 HD13 LEU A 55 8.546 -3.846 -0.468 1.00 1.00 H new ATOM 0 HD21 LEU A 55 9.957 -6.174 -1.864 1.00 1.00 H new ATOM 0 HD22 LEU A 55 9.151 -6.332 -0.285 1.00 1.00 H new ATOM 0 HD23 LEU A 55 8.707 -7.417 -1.624 1.00 1.00 H new ATOM 913 N LEU A 56 4.106 -7.069 -1.142 1.00 1.00 N ATOM 914 CA LEU A 56 2.962 -7.889 -0.701 1.00 1.00 C ATOM 915 C LEU A 56 2.393 -7.487 0.671 1.00 1.00 C ATOM 916 O LEU A 56 1.248 -7.806 0.971 1.00 1.00 O ATOM 917 CB LEU A 56 3.363 -9.358 -0.655 1.00 1.00 C ATOM 918 CG LEU A 56 3.360 -10.085 -2.001 1.00 1.00 C ATOM 919 CD1 LEU A 56 3.704 -11.548 -1.792 1.00 1.00 C ATOM 920 CD2 LEU A 56 2.013 -9.954 -2.704 1.00 1.00 C ATOM 0 H LEU A 56 4.917 -7.615 -1.433 1.00 1.00 H new ATOM 0 HA LEU A 56 2.174 -7.716 -1.434 1.00 1.00 H new ATOM 0 HB2 LEU A 56 4.362 -9.430 -0.225 1.00 1.00 H new ATOM 0 HB3 LEU A 56 2.686 -9.880 0.021 1.00 1.00 H new ATOM 0 HG LEU A 56 4.112 -9.622 -2.640 1.00 1.00 H new ATOM 0 HD11 LEU A 56 3.701 -12.063 -2.753 1.00 1.00 H new ATOM 0 HD12 LEU A 56 4.693 -11.628 -1.340 1.00 1.00 H new ATOM 0 HD13 LEU A 56 2.966 -12.005 -1.133 1.00 1.00 H new ATOM 0 HD21 LEU A 56 2.047 -10.482 -3.657 1.00 1.00 H new ATOM 0 HD22 LEU A 56 1.232 -10.385 -2.078 1.00 1.00 H new ATOM 0 HD23 LEU A 56 1.796 -8.901 -2.881 1.00 1.00 H new ATOM 932 N MET A 57 3.199 -6.844 1.513 1.00 1.00 N ATOM 933 CA MET A 57 2.730 -6.392 2.824 1.00 1.00 C ATOM 934 C MET A 57 1.415 -5.617 2.719 1.00 1.00 C ATOM 935 O MET A 57 0.379 -6.069 3.195 1.00 1.00 O ATOM 936 CB MET A 57 3.782 -5.507 3.499 1.00 1.00 C ATOM 937 CG MET A 57 3.349 -4.981 4.862 1.00 1.00 C ATOM 938 SD MET A 57 4.576 -3.898 5.622 1.00 1.00 S ATOM 939 CE MET A 57 3.737 -3.469 7.147 1.00 1.00 C ATOM 0 H MET A 57 4.175 -6.624 1.314 1.00 1.00 H new ATOM 0 HA MET A 57 2.560 -7.284 3.426 1.00 1.00 H new ATOM 0 HB2 MET A 57 4.704 -6.076 3.614 1.00 1.00 H new ATOM 0 HB3 MET A 57 4.008 -4.663 2.847 1.00 1.00 H new ATOM 0 HG2 MET A 57 2.410 -4.438 4.754 1.00 1.00 H new ATOM 0 HG3 MET A 57 3.155 -5.824 5.526 1.00 1.00 H new ATOM 0 HE1 MET A 57 4.367 -2.801 7.733 1.00 1.00 H new ATOM 0 HE2 MET A 57 2.795 -2.971 6.916 1.00 1.00 H new ATOM 0 HE3 MET A 57 3.537 -4.375 7.720 1.00 1.00 H new ATOM 949 N MET A 58 1.431 -4.476 2.060 1.00 1.00 N ATOM 950 CA MET A 58 0.215 -3.690 1.969 1.00 1.00 C ATOM 951 C MET A 58 -0.643 -4.104 0.759 1.00 1.00 C ATOM 952 O MET A 58 -1.857 -3.901 0.754 1.00 1.00 O ATOM 953 CB MET A 58 0.550 -2.203 1.999 1.00 1.00 C ATOM 954 CG MET A 58 -0.658 -1.300 1.894 1.00 1.00 C ATOM 955 SD MET A 58 -0.265 0.426 2.243 1.00 1.00 S ATOM 956 CE MET A 58 0.997 0.738 1.012 1.00 1.00 C ATOM 0 H MET A 58 2.246 -4.080 1.592 1.00 1.00 H new ATOM 0 HA MET A 58 -0.406 -3.894 2.841 1.00 1.00 H new ATOM 0 HB2 MET A 58 1.080 -1.979 2.925 1.00 1.00 H new ATOM 0 HB3 MET A 58 1.232 -1.978 1.179 1.00 1.00 H new ATOM 0 HG2 MET A 58 -1.079 -1.378 0.892 1.00 1.00 H new ATOM 0 HG3 MET A 58 -1.425 -1.642 2.589 1.00 1.00 H new ATOM 0 HE1 MET A 58 1.381 1.751 1.133 1.00 1.00 H new ATOM 0 HE2 MET A 58 1.811 0.024 1.136 1.00 1.00 H new ATOM 0 HE3 MET A 58 0.568 0.629 0.016 1.00 1.00 H new ATOM 966 N VAL A 59 -0.026 -4.703 -0.262 1.00 1.00 N ATOM 967 CA VAL A 59 -0.793 -5.204 -1.408 1.00 1.00 C ATOM 968 C VAL A 59 -1.679 -6.362 -0.924 1.00 1.00 C ATOM 969 O VAL A 59 -2.853 -6.471 -1.283 1.00 1.00 O ATOM 970 CB VAL A 59 0.119 -5.668 -2.566 1.00 1.00 C ATOM 971 CG1 VAL A 59 -0.698 -6.243 -3.713 1.00 1.00 C ATOM 972 CG2 VAL A 59 0.971 -4.512 -3.064 1.00 1.00 C ATOM 0 H VAL A 59 0.981 -4.852 -0.321 1.00 1.00 H new ATOM 0 HA VAL A 59 -1.404 -4.392 -1.803 1.00 1.00 H new ATOM 0 HB VAL A 59 0.771 -6.453 -2.184 1.00 1.00 H new ATOM 0 HG11 VAL A 59 -0.029 -6.561 -4.513 1.00 1.00 H new ATOM 0 HG12 VAL A 59 -1.271 -7.099 -3.358 1.00 1.00 H new ATOM 0 HG13 VAL A 59 -1.380 -5.482 -4.092 1.00 1.00 H new ATOM 0 HG21 VAL A 59 1.608 -4.854 -3.880 1.00 1.00 H new ATOM 0 HG22 VAL A 59 0.324 -3.711 -3.421 1.00 1.00 H new ATOM 0 HG23 VAL A 59 1.593 -4.141 -2.249 1.00 1.00 H new ATOM 982 N GLY A 60 -1.102 -7.211 -0.077 1.00 1.00 N ATOM 983 CA GLY A 60 -1.845 -8.306 0.520 1.00 1.00 C ATOM 984 C GLY A 60 -2.874 -7.770 1.501 1.00 1.00 C ATOM 985 O GLY A 60 -3.998 -8.268 1.584 1.00 1.00 O ATOM 0 H GLY A 60 -0.124 -7.158 0.208 1.00 1.00 H new ATOM 0 HA2 GLY A 60 -2.342 -8.885 -0.259 1.00 1.00 H new ATOM 0 HA3 GLY A 60 -1.161 -8.982 1.033 1.00 1.00 H new ATOM 989 N GLN A 61 -2.480 -6.719 2.224 1.00 1.00 N ATOM 990 CA GLN A 61 -3.356 -6.074 3.196 1.00 1.00 C ATOM 991 C GLN A 61 -4.612 -5.547 2.510 1.00 1.00 C ATOM 992 O GLN A 61 -5.721 -5.719 3.017 1.00 1.00 O ATOM 993 CB GLN A 61 -2.640 -4.903 3.888 1.00 1.00 C ATOM 994 CG GLN A 61 -3.491 -4.188 4.932 1.00 1.00 C ATOM 995 CD GLN A 61 -3.871 -5.089 6.090 1.00 1.00 C ATOM 996 OE1 GLN A 61 -3.168 -5.177 7.084 1.00 1.00 O ATOM 997 NE2 GLN A 61 -4.992 -5.771 5.967 1.00 1.00 N ATOM 0 H GLN A 61 -1.554 -6.297 2.151 1.00 1.00 H new ATOM 0 HA GLN A 61 -3.628 -6.820 3.943 1.00 1.00 H new ATOM 0 HB2 GLN A 61 -1.734 -5.275 4.366 1.00 1.00 H new ATOM 0 HB3 GLN A 61 -2.329 -4.182 3.132 1.00 1.00 H new ATOM 0 HG2 GLN A 61 -2.944 -3.325 5.312 1.00 1.00 H new ATOM 0 HG3 GLN A 61 -4.397 -3.809 4.459 1.00 1.00 H new ATOM 0 HE21 GLN A 61 -5.557 -5.675 5.123 1.00 1.00 H new ATOM 0 HE22 GLN A 61 -5.294 -6.395 6.715 1.00 1.00 H new ATOM 1006 N ARG A 62 -4.437 -4.951 1.328 1.00 1.00 N ATOM 1007 CA ARG A 62 -5.559 -4.382 0.612 1.00 1.00 C ATOM 1008 C ARG A 62 -6.479 -5.464 0.073 1.00 1.00 C ATOM 1009 O ARG A 62 -7.697 -5.327 0.133 1.00 1.00 O ATOM 1010 CB ARG A 62 -5.104 -3.441 -0.517 1.00 1.00 C ATOM 1011 CG ARG A 62 -4.661 -4.115 -1.821 1.00 1.00 C ATOM 1012 CD ARG A 62 -4.418 -3.090 -2.942 1.00 1.00 C ATOM 1013 NE ARG A 62 -4.161 -3.736 -4.241 1.00 1.00 N ATOM 1014 CZ ARG A 62 -4.331 -3.173 -5.420 1.00 1.00 C ATOM 1015 NH1 ARG A 62 -4.718 -1.937 -5.529 1.00 1.00 N ATOM 1016 NH2 ARG A 62 -4.104 -3.864 -6.498 1.00 1.00 N ATOM 0 H ARG A 62 -3.536 -4.855 0.859 1.00 1.00 H new ATOM 0 HA ARG A 62 -6.121 -3.785 1.330 1.00 1.00 H new ATOM 0 HB2 ARG A 62 -5.922 -2.758 -0.745 1.00 1.00 H new ATOM 0 HB3 ARG A 62 -4.277 -2.835 -0.146 1.00 1.00 H new ATOM 0 HG2 ARG A 62 -3.748 -4.683 -1.644 1.00 1.00 H new ATOM 0 HG3 ARG A 62 -5.423 -4.827 -2.139 1.00 1.00 H new ATOM 0 HD2 ARG A 62 -5.286 -2.436 -3.029 1.00 1.00 H new ATOM 0 HD3 ARG A 62 -3.569 -2.459 -2.678 1.00 1.00 H new ATOM 0 HE ARG A 62 -3.824 -4.698 -4.226 1.00 1.00 H new ATOM 0 HH11 ARG A 62 -4.896 -1.383 -4.692 1.00 1.00 H new ATOM 0 HH12 ARG A 62 -4.843 -1.521 -6.452 1.00 1.00 H new ATOM 0 HH21 ARG A 62 -3.797 -4.834 -6.427 1.00 1.00 H new ATOM 0 HH22 ARG A 62 -4.233 -3.436 -7.415 1.00 1.00 H new ATOM 1030 N ARG A 63 -5.910 -6.565 -0.406 1.00 1.00 N ATOM 1031 CA ARG A 63 -6.741 -7.626 -0.948 1.00 1.00 C ATOM 1032 C ARG A 63 -7.420 -8.416 0.168 1.00 1.00 C ATOM 1033 O ARG A 63 -8.305 -9.230 -0.079 1.00 1.00 O ATOM 1034 CB ARG A 63 -5.968 -8.511 -1.920 1.00 1.00 C ATOM 1035 CG ARG A 63 -4.886 -9.378 -1.311 1.00 1.00 C ATOM 1036 CD ARG A 63 -4.175 -10.169 -2.411 1.00 1.00 C ATOM 1037 NE ARG A 63 -5.130 -10.911 -3.258 1.00 1.00 N ATOM 1038 CZ ARG A 63 -5.055 -11.015 -4.570 1.00 1.00 C ATOM 1039 NH1 ARG A 63 -4.050 -10.522 -5.220 1.00 1.00 N ATOM 1040 NH2 ARG A 63 -5.995 -11.626 -5.228 1.00 1.00 N ATOM 0 H ARG A 63 -4.906 -6.741 -0.430 1.00 1.00 H new ATOM 0 HA ARG A 63 -7.537 -7.165 -1.534 1.00 1.00 H new ATOM 0 HB2 ARG A 63 -6.678 -9.158 -2.434 1.00 1.00 H new ATOM 0 HB3 ARG A 63 -5.512 -7.873 -2.677 1.00 1.00 H new ATOM 0 HG2 ARG A 63 -4.168 -8.757 -0.775 1.00 1.00 H new ATOM 0 HG3 ARG A 63 -5.322 -10.062 -0.583 1.00 1.00 H new ATOM 0 HD2 ARG A 63 -3.593 -9.487 -3.031 1.00 1.00 H new ATOM 0 HD3 ARG A 63 -3.471 -10.868 -1.959 1.00 1.00 H new ATOM 0 HE ARG A 63 -5.907 -11.379 -2.792 1.00 1.00 H new ATOM 0 HH11 ARG A 63 -3.302 -10.045 -4.717 1.00 1.00 H new ATOM 0 HH12 ARG A 63 -4.006 -10.611 -6.235 1.00 1.00 H new ATOM 0 HH21 ARG A 63 -6.790 -12.025 -4.729 1.00 1.00 H new ATOM 0 HH22 ARG A 63 -5.937 -11.707 -6.243 1.00 1.00 H new ATOM 1054 N ARG A 64 -6.978 -8.201 1.395 1.00 1.00 N ATOM 1055 CA ARG A 64 -7.645 -8.804 2.529 1.00 1.00 C ATOM 1056 C ARG A 64 -8.685 -7.801 3.065 1.00 1.00 C ATOM 1057 O ARG A 64 -9.763 -8.190 3.512 1.00 1.00 O ATOM 1058 CB ARG A 64 -6.657 -9.197 3.628 1.00 1.00 C ATOM 1059 CG ARG A 64 -7.298 -10.035 4.724 1.00 1.00 C ATOM 1060 CD ARG A 64 -6.337 -10.318 5.880 1.00 1.00 C ATOM 1061 NE ARG A 64 -5.147 -11.083 5.478 1.00 1.00 N ATOM 1062 CZ ARG A 64 -4.336 -11.681 6.320 1.00 1.00 C ATOM 1063 NH1 ARG A 64 -4.621 -11.731 7.587 1.00 1.00 N ATOM 1064 NH2 ARG A 64 -3.250 -12.248 5.885 1.00 1.00 N ATOM 0 H ARG A 64 -6.171 -7.621 1.627 1.00 1.00 H new ATOM 0 HA ARG A 64 -8.135 -9.723 2.208 1.00 1.00 H new ATOM 0 HB2 ARG A 64 -5.832 -9.755 3.186 1.00 1.00 H new ATOM 0 HB3 ARG A 64 -6.232 -8.295 4.068 1.00 1.00 H new ATOM 0 HG2 ARG A 64 -8.178 -9.517 5.105 1.00 1.00 H new ATOM 0 HG3 ARG A 64 -7.642 -10.979 4.301 1.00 1.00 H new ATOM 0 HD2 ARG A 64 -6.020 -9.372 6.319 1.00 1.00 H new ATOM 0 HD3 ARG A 64 -6.868 -10.868 6.657 1.00 1.00 H new ATOM 0 HE ARG A 64 -4.938 -11.154 4.482 1.00 1.00 H new ATOM 0 HH11 ARG A 64 -5.480 -11.304 7.934 1.00 1.00 H new ATOM 0 HH12 ARG A 64 -3.986 -12.197 8.235 1.00 1.00 H new ATOM 0 HH21 ARG A 64 -3.028 -12.228 4.890 1.00 1.00 H new ATOM 0 HH22 ARG A 64 -2.620 -12.712 6.539 1.00 1.00 H new ATOM 1078 N LEU A 65 -8.364 -6.496 2.977 1.00 1.00 N ATOM 1079 CA LEU A 65 -9.280 -5.437 3.434 1.00 1.00 C ATOM 1080 C LEU A 65 -10.562 -5.437 2.603 1.00 1.00 C ATOM 1081 O LEU A 65 -11.652 -5.219 3.131 1.00 1.00 O ATOM 1082 CB LEU A 65 -8.641 -4.039 3.353 1.00 1.00 C ATOM 1083 CG LEU A 65 -7.517 -3.754 4.356 1.00 1.00 C ATOM 1084 CD1 LEU A 65 -6.966 -2.351 4.151 1.00 1.00 C ATOM 1085 CD2 LEU A 65 -8.004 -3.921 5.788 1.00 1.00 C ATOM 0 H LEU A 65 -7.482 -6.153 2.596 1.00 1.00 H new ATOM 0 HA LEU A 65 -9.508 -5.655 4.477 1.00 1.00 H new ATOM 0 HB2 LEU A 65 -8.247 -3.899 2.346 1.00 1.00 H new ATOM 0 HB3 LEU A 65 -9.424 -3.295 3.494 1.00 1.00 H new ATOM 0 HG LEU A 65 -6.720 -4.477 4.181 1.00 1.00 H new ATOM 0 HD11 LEU A 65 -6.169 -2.164 4.871 1.00 1.00 H new ATOM 0 HD12 LEU A 65 -6.570 -2.260 3.140 1.00 1.00 H new ATOM 0 HD13 LEU A 65 -7.763 -1.622 4.296 1.00 1.00 H new ATOM 0 HD21 LEU A 65 -7.186 -3.713 6.477 1.00 1.00 H new ATOM 0 HD22 LEU A 65 -8.823 -3.227 5.977 1.00 1.00 H new ATOM 0 HD23 LEU A 65 -8.352 -4.943 5.937 1.00 1.00 H new ATOM 1097 N LEU A 66 -10.436 -5.688 1.301 1.00 1.00 N ATOM 1098 CA LEU A 66 -11.612 -5.727 0.442 1.00 1.00 C ATOM 1099 C LEU A 66 -12.473 -6.952 0.780 1.00 1.00 C ATOM 1100 O LEU A 66 -13.676 -6.966 0.544 1.00 1.00 O ATOM 1101 CB LEU A 66 -11.231 -5.643 -1.053 1.00 1.00 C ATOM 1102 CG LEU A 66 -10.154 -6.615 -1.576 1.00 1.00 C ATOM 1103 CD1 LEU A 66 -10.731 -7.995 -1.860 1.00 1.00 C ATOM 1104 CD2 LEU A 66 -9.509 -6.050 -2.842 1.00 1.00 C ATOM 0 H LEU A 66 -9.550 -5.864 0.828 1.00 1.00 H new ATOM 0 HA LEU A 66 -12.220 -4.843 0.636 1.00 1.00 H new ATOM 0 HB2 LEU A 66 -12.137 -5.800 -1.639 1.00 1.00 H new ATOM 0 HB3 LEU A 66 -10.892 -4.627 -1.256 1.00 1.00 H new ATOM 0 HG LEU A 66 -9.399 -6.723 -0.798 1.00 1.00 H new ATOM 0 HD11 LEU A 66 -9.942 -8.651 -2.227 1.00 1.00 H new ATOM 0 HD12 LEU A 66 -11.151 -8.410 -0.943 1.00 1.00 H new ATOM 0 HD13 LEU A 66 -11.514 -7.914 -2.614 1.00 1.00 H new ATOM 0 HD21 LEU A 66 -8.750 -6.743 -3.204 1.00 1.00 H new ATOM 0 HD22 LEU A 66 -10.271 -5.914 -3.609 1.00 1.00 H new ATOM 0 HD23 LEU A 66 -9.045 -5.090 -2.617 1.00 1.00 H new ATOM 1116 N ARG A 67 -11.855 -7.965 1.386 1.00 1.00 N ATOM 1117 CA ARG A 67 -12.586 -9.153 1.812 1.00 1.00 C ATOM 1118 C ARG A 67 -13.304 -8.847 3.137 1.00 1.00 C ATOM 1119 O ARG A 67 -14.350 -9.421 3.439 1.00 1.00 O ATOM 1120 CB ARG A 67 -11.641 -10.351 1.923 1.00 1.00 C ATOM 1121 CG ARG A 67 -12.314 -11.653 2.324 1.00 1.00 C ATOM 1122 CD ARG A 67 -11.344 -12.827 2.195 1.00 1.00 C ATOM 1123 NE ARG A 67 -10.962 -13.087 0.795 1.00 1.00 N ATOM 1124 CZ ARG A 67 -9.757 -13.425 0.390 1.00 1.00 C ATOM 1125 NH1 ARG A 67 -8.770 -13.523 1.227 1.00 1.00 N ATOM 1126 NH2 ARG A 67 -9.551 -13.671 -0.869 1.00 1.00 N ATOM 0 H ARG A 67 -10.856 -7.985 1.591 1.00 1.00 H new ATOM 0 HA ARG A 67 -13.339 -9.419 1.070 1.00 1.00 H new ATOM 0 HB2 ARG A 67 -11.144 -10.495 0.964 1.00 1.00 H new ATOM 0 HB3 ARG A 67 -10.865 -10.119 2.653 1.00 1.00 H new ATOM 0 HG2 ARG A 67 -12.671 -11.582 3.351 1.00 1.00 H new ATOM 0 HG3 ARG A 67 -13.187 -11.826 1.694 1.00 1.00 H new ATOM 0 HD2 ARG A 67 -10.448 -12.621 2.781 1.00 1.00 H new ATOM 0 HD3 ARG A 67 -11.802 -13.722 2.616 1.00 1.00 H new ATOM 0 HE ARG A 67 -11.689 -12.998 0.085 1.00 1.00 H new ATOM 0 HH11 ARG A 67 -8.922 -13.337 2.218 1.00 1.00 H new ATOM 0 HH12 ARG A 67 -7.843 -13.786 0.894 1.00 1.00 H new ATOM 0 HH21 ARG A 67 -10.321 -13.601 -1.535 1.00 1.00 H new ATOM 0 HH22 ARG A 67 -8.620 -13.934 -1.192 1.00 1.00 H new ATOM 1140 N TYR A 68 -12.732 -7.938 3.935 1.00 1.00 N ATOM 1141 CA TYR A 68 -13.398 -7.503 5.164 1.00 1.00 C ATOM 1142 C TYR A 68 -14.565 -6.605 4.774 1.00 1.00 C ATOM 1143 O TYR A 68 -15.624 -6.634 5.393 1.00 1.00 O ATOM 1144 CB TYR A 68 -12.462 -6.744 6.100 1.00 1.00 C ATOM 1145 CG TYR A 68 -11.370 -7.597 6.677 1.00 1.00 C ATOM 1146 CD1 TYR A 68 -11.640 -8.873 7.159 1.00 1.00 C ATOM 1147 CD2 TYR A 68 -10.076 -7.118 6.766 1.00 1.00 C ATOM 1148 CE1 TYR A 68 -10.639 -9.654 7.695 1.00 1.00 C ATOM 1149 CE2 TYR A 68 -9.069 -7.892 7.297 1.00 1.00 C ATOM 1150 CZ TYR A 68 -9.354 -9.153 7.771 1.00 1.00 C ATOM 1151 OH TYR A 68 -8.345 -9.913 8.309 1.00 1.00 O ATOM 0 H TYR A 68 -11.829 -7.498 3.756 1.00 1.00 H new ATOM 0 HA TYR A 68 -13.736 -8.387 5.704 1.00 1.00 H new ATOM 0 HB2 TYR A 68 -12.014 -5.912 5.556 1.00 1.00 H new ATOM 0 HB3 TYR A 68 -13.045 -6.315 6.915 1.00 1.00 H new ATOM 0 HD1 TYR A 68 -12.648 -9.257 7.113 1.00 1.00 H new ATOM 0 HD2 TYR A 68 -9.852 -6.122 6.414 1.00 1.00 H new ATOM 0 HE1 TYR A 68 -10.857 -10.649 8.053 1.00 1.00 H new ATOM 0 HE2 TYR A 68 -8.059 -7.512 7.342 1.00 1.00 H new ATOM 0 HH TYR A 68 -7.506 -9.408 8.283 1.00 1.00 H new ATOM 1161 N LEU A 69 -14.353 -5.800 3.731 1.00 1.00 N ATOM 1162 CA LEU A 69 -15.410 -4.941 3.209 1.00 1.00 C ATOM 1163 C LEU A 69 -16.515 -5.822 2.613 1.00 1.00 C ATOM 1164 O LEU A 69 -17.690 -5.480 2.650 1.00 1.00 O ATOM 1165 CB LEU A 69 -14.864 -3.980 2.152 1.00 1.00 C ATOM 1166 CG LEU A 69 -15.892 -3.000 1.584 1.00 1.00 C ATOM 1167 CD1 LEU A 69 -16.411 -2.070 2.670 1.00 1.00 C ATOM 1168 CD2 LEU A 69 -15.288 -2.198 0.448 1.00 1.00 C ATOM 0 H LEU A 69 -13.464 -5.727 3.236 1.00 1.00 H new ATOM 0 HA LEU A 69 -15.817 -4.339 4.022 1.00 1.00 H new ATOM 0 HB2 LEU A 69 -14.043 -3.411 2.588 1.00 1.00 H new ATOM 0 HB3 LEU A 69 -14.447 -4.564 1.331 1.00 1.00 H new ATOM 0 HG LEU A 69 -16.732 -3.576 1.197 1.00 1.00 H new ATOM 0 HD11 LEU A 69 -17.141 -1.382 2.242 1.00 1.00 H new ATOM 0 HD12 LEU A 69 -16.884 -2.658 3.457 1.00 1.00 H new ATOM 0 HD13 LEU A 69 -15.581 -1.503 3.090 1.00 1.00 H new ATOM 0 HD21 LEU A 69 -16.033 -1.506 0.055 1.00 1.00 H new ATOM 0 HD22 LEU A 69 -14.429 -1.637 0.815 1.00 1.00 H new ATOM 0 HD23 LEU A 69 -14.968 -2.874 -0.345 1.00 1.00 H new ATOM 1180 N GLN A 70 -16.108 -6.965 2.059 1.00 1.00 N ATOM 1181 CA GLN A 70 -17.040 -7.955 1.509 1.00 1.00 C ATOM 1182 C GLN A 70 -18.024 -8.382 2.593 1.00 1.00 C ATOM 1183 O GLN A 70 -19.218 -8.551 2.356 1.00 1.00 O ATOM 1184 CB GLN A 70 -16.242 -9.173 1.032 1.00 1.00 C ATOM 1185 CG GLN A 70 -17.063 -10.300 0.426 1.00 1.00 C ATOM 1186 CD GLN A 70 -16.221 -11.544 0.220 1.00 1.00 C ATOM 1187 OE1 GLN A 70 -15.584 -11.722 -0.808 1.00 1.00 O ATOM 1188 NE2 GLN A 70 -16.198 -12.412 1.209 1.00 1.00 N ATOM 0 H GLN A 70 -15.127 -7.232 1.978 1.00 1.00 H new ATOM 0 HA GLN A 70 -17.591 -7.524 0.673 1.00 1.00 H new ATOM 0 HB2 GLN A 70 -15.513 -8.841 0.293 1.00 1.00 H new ATOM 0 HB3 GLN A 70 -15.680 -9.571 1.877 1.00 1.00 H new ATOM 0 HG2 GLN A 70 -17.905 -10.532 1.079 1.00 1.00 H new ATOM 0 HG3 GLN A 70 -17.479 -9.977 -0.528 1.00 1.00 H new ATOM 0 HE21 GLN A 70 -16.740 -12.236 2.055 1.00 1.00 H new ATOM 0 HE22 GLN A 70 -15.638 -13.261 1.130 1.00 1.00 H new ATOM 1197 N ARG A 71 -17.487 -8.536 3.793 1.00 1.00 N ATOM 1198 CA ARG A 71 -18.272 -8.921 4.955 1.00 1.00 C ATOM 1199 C ARG A 71 -19.090 -7.748 5.488 1.00 1.00 C ATOM 1200 O ARG A 71 -19.988 -7.927 6.301 1.00 1.00 O ATOM 1201 CB ARG A 71 -17.347 -9.429 6.057 1.00 1.00 C ATOM 1202 CG ARG A 71 -16.718 -10.778 5.759 1.00 1.00 C ATOM 1203 CD ARG A 71 -17.744 -11.904 5.829 1.00 1.00 C ATOM 1204 NE ARG A 71 -17.181 -13.192 5.403 1.00 1.00 N ATOM 1205 CZ ARG A 71 -17.526 -14.361 5.882 1.00 1.00 C ATOM 1206 NH1 ARG A 71 -18.389 -14.463 6.850 1.00 1.00 N ATOM 1207 NH2 ARG A 71 -16.997 -15.433 5.374 1.00 1.00 N ATOM 0 H ARG A 71 -16.496 -8.398 3.989 1.00 1.00 H new ATOM 0 HA ARG A 71 -18.959 -9.710 4.648 1.00 1.00 H new ATOM 0 HB2 ARG A 71 -16.555 -8.698 6.219 1.00 1.00 H new ATOM 0 HB3 ARG A 71 -17.911 -9.500 6.987 1.00 1.00 H new ATOM 0 HG2 ARG A 71 -16.266 -10.758 4.767 1.00 1.00 H new ATOM 0 HG3 ARG A 71 -15.916 -10.971 6.471 1.00 1.00 H new ATOM 0 HD2 ARG A 71 -18.116 -11.992 6.850 1.00 1.00 H new ATOM 0 HD3 ARG A 71 -18.598 -11.656 5.198 1.00 1.00 H new ATOM 0 HE ARG A 71 -16.465 -13.175 4.677 1.00 1.00 H new ATOM 0 HH11 ARG A 71 -18.809 -13.624 7.249 1.00 1.00 H new ATOM 0 HH12 ARG A 71 -18.645 -15.382 7.210 1.00 1.00 H new ATOM 0 HH21 ARG A 71 -16.323 -15.357 4.612 1.00 1.00 H new ATOM 0 HH22 ARG A 71 -17.256 -16.351 5.737 1.00 1.00 H new ATOM 1221 N GLU A 72 -18.775 -6.552 5.038 1.00 1.00 N ATOM 1222 CA GLU A 72 -19.502 -5.373 5.487 1.00 1.00 C ATOM 1223 C GLU A 72 -20.611 -5.034 4.490 1.00 1.00 C ATOM 1224 O GLU A 72 -21.633 -4.428 4.832 1.00 1.00 O ATOM 1225 CB GLU A 72 -18.545 -4.193 5.628 1.00 1.00 C ATOM 1226 CG GLU A 72 -19.215 -2.979 6.238 1.00 1.00 C ATOM 1227 CD GLU A 72 -18.333 -1.747 6.246 1.00 1.00 C ATOM 1228 OE1 GLU A 72 -17.294 -1.760 6.934 1.00 1.00 O ATOM 1229 OE2 GLU A 72 -18.684 -0.762 5.551 1.00 1.00 O ATOM 0 H GLU A 72 -18.029 -6.366 4.368 1.00 1.00 H new ATOM 0 HA GLU A 72 -19.951 -5.580 6.458 1.00 1.00 H new ATOM 0 HB2 GLU A 72 -17.698 -4.487 6.247 1.00 1.00 H new ATOM 0 HB3 GLU A 72 -18.147 -3.931 4.647 1.00 1.00 H new ATOM 0 HG2 GLU A 72 -20.128 -2.760 5.684 1.00 1.00 H new ATOM 0 HG3 GLU A 72 -19.511 -3.212 7.261 1.00 1.00 H new ATOM 1236 N ASP A 73 -20.397 -5.495 3.266 1.00 1.00 N ATOM 1237 CA ASP A 73 -21.297 -5.269 2.160 1.00 1.00 C ATOM 1238 C ASP A 73 -20.775 -6.006 0.923 1.00 1.00 C ATOM 1239 O ASP A 73 -19.705 -5.685 0.396 1.00 1.00 O ATOM 1240 CB ASP A 73 -21.404 -3.772 1.870 1.00 1.00 C ATOM 1241 CG ASP A 73 -22.507 -3.456 0.892 1.00 1.00 C ATOM 1242 OD1 ASP A 73 -22.296 -3.659 -0.316 1.00 1.00 O ATOM 1243 OD2 ASP A 73 -23.577 -2.998 1.327 1.00 1.00 O ATOM 0 H ASP A 73 -19.576 -6.046 3.016 1.00 1.00 H new ATOM 0 HA ASP A 73 -22.287 -5.647 2.416 1.00 1.00 H new ATOM 0 HB2 ASP A 73 -21.583 -3.236 2.802 1.00 1.00 H new ATOM 0 HB3 ASP A 73 -20.455 -3.412 1.472 1.00 1.00 H new ATOM 1248 N PRO A 74 -21.513 -7.013 0.446 1.00 1.00 N ATOM 1249 CA PRO A 74 -21.105 -7.793 -0.724 1.00 1.00 C ATOM 1250 C PRO A 74 -21.146 -6.983 -2.020 1.00 1.00 C ATOM 1251 O PRO A 74 -20.461 -7.310 -2.992 1.00 1.00 O ATOM 1252 CB PRO A 74 -22.128 -8.926 -0.776 1.00 1.00 C ATOM 1253 CG PRO A 74 -23.322 -8.410 -0.045 1.00 1.00 C ATOM 1254 CD PRO A 74 -22.803 -7.460 0.999 1.00 1.00 C ATOM 0 HA PRO A 74 -20.073 -8.132 -0.637 1.00 1.00 H new ATOM 0 HB2 PRO A 74 -22.378 -9.184 -1.805 1.00 1.00 H new ATOM 0 HB3 PRO A 74 -21.739 -9.829 -0.306 1.00 1.00 H new ATOM 0 HG2 PRO A 74 -24.005 -7.903 -0.726 1.00 1.00 H new ATOM 0 HG3 PRO A 74 -23.878 -9.227 0.415 1.00 1.00 H new ATOM 0 HD2 PRO A 74 -23.484 -6.624 1.155 1.00 1.00 H new ATOM 0 HD3 PRO A 74 -22.677 -7.953 1.963 1.00 1.00 H new ATOM 1262 N GLU A 75 -21.909 -5.901 -2.019 1.00 1.00 N ATOM 1263 CA GLU A 75 -22.032 -5.070 -3.203 1.00 1.00 C ATOM 1264 C GLU A 75 -20.861 -4.105 -3.287 1.00 1.00 C ATOM 1265 O GLU A 75 -20.383 -3.785 -4.371 1.00 1.00 O ATOM 1266 CB GLU A 75 -23.367 -4.332 -3.211 1.00 1.00 C ATOM 1267 CG GLU A 75 -24.555 -5.264 -3.404 1.00 1.00 C ATOM 1268 CD GLU A 75 -24.532 -5.976 -4.749 1.00 1.00 C ATOM 1269 OE1 GLU A 75 -23.879 -7.041 -4.859 1.00 1.00 O ATOM 1270 OE2 GLU A 75 -25.161 -5.476 -5.701 1.00 1.00 O ATOM 0 H GLU A 75 -22.449 -5.580 -1.215 1.00 1.00 H new ATOM 0 HA GLU A 75 -22.009 -5.709 -4.086 1.00 1.00 H new ATOM 0 HB2 GLU A 75 -23.484 -3.792 -2.272 1.00 1.00 H new ATOM 0 HB3 GLU A 75 -23.361 -3.588 -4.008 1.00 1.00 H new ATOM 0 HG2 GLU A 75 -24.563 -6.006 -2.605 1.00 1.00 H new ATOM 0 HG3 GLU A 75 -25.478 -4.691 -3.317 1.00 1.00 H new ATOM 1277 N ARG A 76 -20.383 -3.626 -2.152 1.00 1.00 N ATOM 1278 CA ARG A 76 -19.223 -2.760 -2.192 1.00 1.00 C ATOM 1279 C ARG A 76 -17.928 -3.576 -2.305 1.00 1.00 C ATOM 1280 O ARG A 76 -16.878 -3.023 -2.607 1.00 1.00 O ATOM 1281 CB ARG A 76 -19.199 -1.753 -1.056 1.00 1.00 C ATOM 1282 CG ARG A 76 -20.212 -0.645 -1.290 1.00 1.00 C ATOM 1283 CD ARG A 76 -20.099 0.452 -0.250 1.00 1.00 C ATOM 1284 NE ARG A 76 -20.372 -0.051 1.097 1.00 1.00 N ATOM 1285 CZ ARG A 76 -19.560 0.057 2.113 1.00 1.00 C ATOM 1286 NH1 ARG A 76 -18.420 0.674 2.001 1.00 1.00 N ATOM 1287 NH2 ARG A 76 -19.912 -0.452 3.253 1.00 1.00 N ATOM 0 H ARG A 76 -20.764 -3.814 -1.225 1.00 1.00 H new ATOM 0 HA ARG A 76 -19.299 -2.158 -3.098 1.00 1.00 H new ATOM 0 HB2 ARG A 76 -19.416 -2.257 -0.114 1.00 1.00 H new ATOM 0 HB3 ARG A 76 -18.201 -1.325 -0.966 1.00 1.00 H new ATOM 0 HG2 ARG A 76 -20.063 -0.221 -2.283 1.00 1.00 H new ATOM 0 HG3 ARG A 76 -21.219 -1.063 -1.269 1.00 1.00 H new ATOM 0 HD2 ARG A 76 -19.098 0.883 -0.282 1.00 1.00 H new ATOM 0 HD3 ARG A 76 -20.799 1.253 -0.488 1.00 1.00 H new ATOM 0 HE ARG A 76 -21.264 -0.521 1.253 1.00 1.00 H new ATOM 0 HH11 ARG A 76 -18.147 1.084 1.108 1.00 1.00 H new ATOM 0 HH12 ARG A 76 -17.799 0.748 2.807 1.00 1.00 H new ATOM 0 HH21 ARG A 76 -20.810 -0.927 3.344 1.00 1.00 H new ATOM 0 HH22 ARG A 76 -19.291 -0.378 4.058 1.00 1.00 H new ATOM 1301 N TYR A 77 -17.998 -4.890 -2.048 1.00 1.00 N ATOM 1302 CA TYR A 77 -16.844 -5.770 -2.276 1.00 1.00 C ATOM 1303 C TYR A 77 -16.469 -5.622 -3.734 1.00 1.00 C ATOM 1304 O TYR A 77 -15.391 -5.155 -4.108 1.00 1.00 O ATOM 1305 CB TYR A 77 -17.241 -7.243 -2.083 1.00 1.00 C ATOM 1306 CG TYR A 77 -16.196 -8.242 -2.550 1.00 1.00 C ATOM 1307 CD1 TYR A 77 -14.937 -8.259 -1.977 1.00 1.00 C ATOM 1308 CD2 TYR A 77 -16.474 -9.175 -3.553 1.00 1.00 C ATOM 1309 CE1 TYR A 77 -13.979 -9.164 -2.384 1.00 1.00 C ATOM 1310 CE2 TYR A 77 -15.516 -10.087 -3.963 1.00 1.00 C ATOM 1311 CZ TYR A 77 -14.271 -10.076 -3.372 1.00 1.00 C ATOM 1312 OH TYR A 77 -13.313 -10.980 -3.764 1.00 1.00 O ATOM 0 H TYR A 77 -18.828 -5.361 -1.688 1.00 1.00 H new ATOM 0 HA TYR A 77 -16.041 -5.507 -1.587 1.00 1.00 H new ATOM 0 HB2 TYR A 77 -17.445 -7.416 -1.026 1.00 1.00 H new ATOM 0 HB3 TYR A 77 -18.170 -7.430 -2.621 1.00 1.00 H new ATOM 0 HD1 TYR A 77 -14.700 -7.551 -1.197 1.00 1.00 H new ATOM 0 HD2 TYR A 77 -17.450 -9.185 -4.015 1.00 1.00 H new ATOM 0 HE1 TYR A 77 -13.000 -9.157 -1.927 1.00 1.00 H new ATOM 0 HE2 TYR A 77 -15.743 -10.802 -4.740 1.00 1.00 H new ATOM 0 HH TYR A 77 -13.675 -11.555 -4.470 1.00 1.00 H new ATOM 1322 N ARG A 78 -17.459 -5.974 -4.538 1.00 1.00 N ATOM 1323 CA ARG A 78 -17.357 -5.945 -5.962 1.00 1.00 C ATOM 1324 C ARG A 78 -17.226 -4.512 -6.472 1.00 1.00 C ATOM 1325 O ARG A 78 -16.626 -4.283 -7.508 1.00 1.00 O ATOM 1326 CB ARG A 78 -18.571 -6.669 -6.565 1.00 1.00 C ATOM 1327 CG ARG A 78 -19.924 -6.096 -6.144 1.00 1.00 C ATOM 1328 CD ARG A 78 -21.087 -7.081 -6.355 1.00 1.00 C ATOM 1329 NE ARG A 78 -21.347 -7.402 -7.767 1.00 1.00 N ATOM 1330 CZ ARG A 78 -22.536 -7.715 -8.241 1.00 1.00 C ATOM 1331 NH1 ARG A 78 -23.580 -7.699 -7.471 1.00 1.00 N ATOM 1332 NH2 ARG A 78 -22.678 -8.019 -9.498 1.00 1.00 N ATOM 0 H ARG A 78 -18.367 -6.292 -4.199 1.00 1.00 H new ATOM 0 HA ARG A 78 -16.453 -6.466 -6.278 1.00 1.00 H new ATOM 0 HB2 ARG A 78 -18.497 -6.632 -7.652 1.00 1.00 H new ATOM 0 HB3 ARG A 78 -18.531 -7.720 -6.278 1.00 1.00 H new ATOM 0 HG2 ARG A 78 -19.881 -5.813 -5.092 1.00 1.00 H new ATOM 0 HG3 ARG A 78 -20.119 -5.186 -6.711 1.00 1.00 H new ATOM 0 HD2 ARG A 78 -20.871 -8.004 -5.817 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -21.991 -6.660 -5.916 1.00 1.00 H new ATOM 0 HE ARG A 78 -20.561 -7.381 -8.417 1.00 1.00 H new ATOM 0 HH11 ARG A 78 -23.485 -7.442 -6.488 1.00 1.00 H new ATOM 0 HH12 ARG A 78 -24.496 -7.943 -7.848 1.00 1.00 H new ATOM 0 HH21 ARG A 78 -21.868 -8.015 -10.118 1.00 1.00 H new ATOM 0 HH22 ARG A 78 -23.599 -8.261 -9.863 1.00 1.00 H new ATOM 1346 N ALA A 79 -17.743 -3.533 -5.735 1.00 1.00 N ATOM 1347 CA ALA A 79 -17.615 -2.159 -6.201 1.00 1.00 C ATOM 1348 C ALA A 79 -16.257 -1.560 -5.844 1.00 1.00 C ATOM 1349 O ALA A 79 -15.754 -0.713 -6.568 1.00 1.00 O ATOM 1350 CB ALA A 79 -18.748 -1.274 -5.725 1.00 1.00 C ATOM 0 H ALA A 79 -18.234 -3.656 -4.850 1.00 1.00 H new ATOM 0 HA ALA A 79 -17.682 -2.201 -7.288 1.00 1.00 H new ATOM 0 HB1 ALA A 79 -18.602 -0.262 -6.102 1.00 1.00 H new ATOM 0 HB2 ALA A 79 -19.696 -1.665 -6.095 1.00 1.00 H new ATOM 0 HB3 ALA A 79 -18.763 -1.257 -4.635 1.00 1.00 H new ATOM 1356 N LEU A 80 -15.646 -1.967 -4.738 1.00 1.00 N ATOM 1357 CA LEU A 80 -14.324 -1.445 -4.436 1.00 1.00 C ATOM 1358 C LEU A 80 -13.321 -2.074 -5.393 1.00 1.00 C ATOM 1359 O LEU A 80 -12.336 -1.452 -5.776 1.00 1.00 O ATOM 1360 CB LEU A 80 -13.903 -1.703 -2.990 1.00 1.00 C ATOM 1361 CG LEU A 80 -12.474 -1.246 -2.639 1.00 1.00 C ATOM 1362 CD1 LEU A 80 -12.311 0.259 -2.827 1.00 1.00 C ATOM 1363 CD2 LEU A 80 -12.116 -1.644 -1.215 1.00 1.00 C ATOM 0 H LEU A 80 -16.027 -2.629 -4.062 1.00 1.00 H new ATOM 0 HA LEU A 80 -14.352 -0.363 -4.562 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -14.604 -1.196 -2.327 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -13.987 -2.771 -2.787 1.00 1.00 H new ATOM 0 HG LEU A 80 -11.789 -1.747 -3.323 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -11.292 0.549 -2.571 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -12.513 0.520 -3.866 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -13.012 0.785 -2.178 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -11.103 -1.312 -0.988 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -12.815 -1.178 -0.520 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -12.173 -2.728 -1.115 1.00 1.00 H new ATOM 1375 N ILE A 81 -13.603 -3.292 -5.845 1.00 1.00 N ATOM 1376 CA ILE A 81 -12.681 -3.937 -6.763 1.00 1.00 C ATOM 1377 C ILE A 81 -12.851 -3.312 -8.136 1.00 1.00 C ATOM 1378 O ILE A 81 -11.923 -3.233 -8.940 1.00 1.00 O ATOM 1379 CB ILE A 81 -12.799 -5.489 -6.772 1.00 1.00 C ATOM 1380 CG1 ILE A 81 -14.134 -6.023 -7.319 1.00 1.00 C ATOM 1381 CG2 ILE A 81 -12.594 -5.994 -5.355 1.00 1.00 C ATOM 1382 CD1 ILE A 81 -14.186 -6.164 -8.828 1.00 1.00 C ATOM 0 H ILE A 81 -14.432 -3.833 -5.600 1.00 1.00 H new ATOM 0 HA ILE A 81 -11.662 -3.762 -6.419 1.00 1.00 H new ATOM 0 HB ILE A 81 -12.033 -5.859 -7.453 1.00 1.00 H new ATOM 0 HG12 ILE A 81 -14.333 -6.996 -6.869 1.00 1.00 H new ATOM 0 HG13 ILE A 81 -14.935 -5.355 -7.002 1.00 1.00 H new ATOM 0 HG21 ILE A 81 -12.673 -7.081 -5.341 1.00 1.00 H new ATOM 0 HG22 ILE A 81 -11.606 -5.698 -5.002 1.00 1.00 H new ATOM 0 HG23 ILE A 81 -13.355 -5.566 -4.703 1.00 1.00 H new ATOM 0 HD11 ILE A 81 -15.163 -6.546 -9.124 1.00 1.00 H new ATOM 0 HD12 ILE A 81 -14.022 -5.191 -9.290 1.00 1.00 H new ATOM 0 HD13 ILE A 81 -13.411 -6.857 -9.156 1.00 1.00 H new ATOM 1394 N GLU A 82 -14.046 -2.819 -8.361 1.00 1.00 N ATOM 1395 CA GLU A 82 -14.374 -2.124 -9.577 1.00 1.00 C ATOM 1396 C GLU A 82 -13.823 -0.680 -9.524 1.00 1.00 C ATOM 1397 O GLU A 82 -13.418 -0.131 -10.543 1.00 1.00 O ATOM 1398 CB GLU A 82 -15.883 -2.165 -9.745 1.00 1.00 C ATOM 1399 CG GLU A 82 -16.376 -1.712 -11.095 1.00 1.00 C ATOM 1400 CD GLU A 82 -17.845 -2.021 -11.270 1.00 1.00 C ATOM 1401 OE1 GLU A 82 -18.678 -1.170 -10.897 1.00 1.00 O ATOM 1402 OE2 GLU A 82 -18.162 -3.131 -11.762 1.00 1.00 O ATOM 0 H GLU A 82 -14.820 -2.891 -7.700 1.00 1.00 H new ATOM 0 HA GLU A 82 -13.914 -2.601 -10.442 1.00 1.00 H new ATOM 0 HB2 GLU A 82 -16.227 -3.184 -9.570 1.00 1.00 H new ATOM 0 HB3 GLU A 82 -16.338 -1.539 -8.978 1.00 1.00 H new ATOM 0 HG2 GLU A 82 -16.211 -0.640 -11.205 1.00 1.00 H new ATOM 0 HG3 GLU A 82 -15.802 -2.205 -11.879 1.00 1.00 H new ATOM 1409 N LYS A 83 -13.784 -0.075 -8.322 1.00 1.00 N ATOM 1410 CA LYS A 83 -13.224 1.284 -8.166 1.00 1.00 C ATOM 1411 C LYS A 83 -11.690 1.249 -8.274 1.00 1.00 C ATOM 1412 O LYS A 83 -11.083 2.089 -8.931 1.00 1.00 O ATOM 1413 CB LYS A 83 -13.579 1.927 -6.809 1.00 1.00 C ATOM 1414 CG LYS A 83 -15.057 2.227 -6.574 1.00 1.00 C ATOM 1415 CD LYS A 83 -15.239 3.077 -5.315 1.00 1.00 C ATOM 1416 CE LYS A 83 -16.703 3.346 -4.983 1.00 1.00 C ATOM 1417 NZ LYS A 83 -17.396 2.140 -4.459 1.00 1.00 N ATOM 0 H LYS A 83 -14.126 -0.495 -7.458 1.00 1.00 H new ATOM 0 HA LYS A 83 -13.665 1.880 -8.965 1.00 1.00 H new ATOM 0 HB2 LYS A 83 -13.233 1.265 -6.015 1.00 1.00 H new ATOM 0 HB3 LYS A 83 -13.021 2.858 -6.714 1.00 1.00 H new ATOM 0 HG2 LYS A 83 -15.469 2.751 -7.436 1.00 1.00 H new ATOM 0 HG3 LYS A 83 -15.612 1.294 -6.473 1.00 1.00 H new ATOM 0 HD2 LYS A 83 -14.768 2.572 -4.472 1.00 1.00 H new ATOM 0 HD3 LYS A 83 -14.722 4.027 -5.447 1.00 1.00 H new ATOM 0 HE2 LYS A 83 -16.764 4.146 -4.245 1.00 1.00 H new ATOM 0 HE3 LYS A 83 -17.217 3.697 -5.878 1.00 1.00 H new ATOM 0 HZ1 LYS A 83 -18.419 2.227 -4.627 1.00 1.00 H new ATOM 0 HZ2 LYS A 83 -17.036 1.294 -4.945 1.00 1.00 H new ATOM 0 HZ3 LYS A 83 -17.219 2.054 -3.438 1.00 1.00 H new ATOM 1431 N LEU A 84 -11.068 0.270 -7.612 1.00 1.00 N ATOM 1432 CA LEU A 84 -9.606 0.137 -7.629 1.00 1.00 C ATOM 1433 C LEU A 84 -9.096 -0.328 -8.994 1.00 1.00 C ATOM 1434 O LEU A 84 -7.968 -0.038 -9.381 1.00 1.00 O ATOM 1435 CB LEU A 84 -9.141 -0.861 -6.565 1.00 1.00 C ATOM 1436 CG LEU A 84 -9.396 -0.464 -5.110 1.00 1.00 C ATOM 1437 CD1 LEU A 84 -8.943 -1.584 -4.189 1.00 1.00 C ATOM 1438 CD2 LEU A 84 -8.681 0.834 -4.759 1.00 1.00 C ATOM 0 H LEU A 84 -11.550 -0.440 -7.060 1.00 1.00 H new ATOM 0 HA LEU A 84 -9.197 1.125 -7.417 1.00 1.00 H new ATOM 0 HB2 LEU A 84 -9.634 -1.815 -6.751 1.00 1.00 H new ATOM 0 HB3 LEU A 84 -8.071 -1.025 -6.693 1.00 1.00 H new ATOM 0 HG LEU A 84 -10.465 -0.299 -4.979 1.00 1.00 H new ATOM 0 HD11 LEU A 84 -9.125 -1.299 -3.153 1.00 1.00 H new ATOM 0 HD12 LEU A 84 -9.500 -2.492 -4.419 1.00 1.00 H new ATOM 0 HD13 LEU A 84 -7.878 -1.765 -4.333 1.00 1.00 H new ATOM 0 HD21 LEU A 84 -8.881 1.090 -3.719 1.00 1.00 H new ATOM 0 HD22 LEU A 84 -7.608 0.708 -4.901 1.00 1.00 H new ATOM 0 HD23 LEU A 84 -9.041 1.634 -5.405 1.00 1.00 H new ATOM 1450 N GLY A 85 -9.923 -1.072 -9.705 1.00 1.00 N ATOM 1451 CA GLY A 85 -9.525 -1.568 -11.011 1.00 1.00 C ATOM 1452 C GLY A 85 -8.897 -2.936 -10.918 1.00 1.00 C ATOM 1453 O GLY A 85 -7.863 -3.225 -11.500 1.00 1.00 O ATOM 0 H GLY A 85 -10.860 -1.343 -9.407 1.00 1.00 H new ATOM 0 HA2 GLY A 85 -10.396 -1.611 -11.665 1.00 1.00 H new ATOM 0 HA3 GLY A 85 -8.819 -0.873 -11.465 1.00 1.00 H new ATOM 1457 N ILE A 86 -9.555 -3.757 -10.161 1.00 1.00 N ATOM 1458 CA ILE A 86 -9.159 -5.119 -9.912 1.00 1.00 C ATOM 1459 C ILE A 86 -9.862 -6.055 -10.935 1.00 1.00 C ATOM 1460 O ILE A 86 -9.749 -7.290 -10.905 1.00 1.00 O ATOM 1461 CB ILE A 86 -9.603 -5.415 -8.468 1.00 1.00 C ATOM 1462 CG1 ILE A 86 -8.919 -4.456 -7.461 1.00 1.00 C ATOM 1463 CG2 ILE A 86 -9.398 -6.856 -8.070 1.00 1.00 C ATOM 1464 CD1 ILE A 86 -7.406 -4.539 -7.400 1.00 1.00 C ATOM 0 H ILE A 86 -10.415 -3.493 -9.679 1.00 1.00 H new ATOM 0 HA ILE A 86 -8.087 -5.279 -10.025 1.00 1.00 H new ATOM 0 HB ILE A 86 -10.678 -5.236 -8.438 1.00 1.00 H new ATOM 0 HG12 ILE A 86 -9.199 -3.433 -7.714 1.00 1.00 H new ATOM 0 HG13 ILE A 86 -9.316 -4.659 -6.466 1.00 1.00 H new ATOM 0 HG21 ILE A 86 -9.730 -7.000 -7.042 1.00 1.00 H new ATOM 0 HG22 ILE A 86 -9.975 -7.502 -8.732 1.00 1.00 H new ATOM 0 HG23 ILE A 86 -8.340 -7.108 -8.148 1.00 1.00 H new ATOM 0 HD11 ILE A 86 -7.032 -3.827 -6.665 1.00 1.00 H new ATOM 0 HD12 ILE A 86 -7.108 -5.547 -7.113 1.00 1.00 H new ATOM 0 HD13 ILE A 86 -6.989 -4.303 -8.379 1.00 1.00 H new ATOM 1476 N ARG A 87 -10.618 -5.417 -11.880 1.00 1.00 N ATOM 1477 CA ARG A 87 -11.390 -6.097 -12.966 1.00 1.00 C ATOM 1478 C ARG A 87 -10.503 -7.045 -13.696 1.00 1.00 C ATOM 1479 O ARG A 87 -10.968 -7.951 -14.441 1.00 1.00 O ATOM 1480 CB ARG A 87 -12.038 -5.057 -13.878 1.00 1.00 C ATOM 1481 CG ARG A 87 -13.066 -4.160 -13.157 1.00 1.00 C ATOM 1482 CD ARG A 87 -14.326 -4.924 -12.721 1.00 1.00 C ATOM 1483 NE ARG A 87 -15.042 -5.548 -13.849 1.00 1.00 N ATOM 1484 CZ ARG A 87 -16.293 -5.962 -13.812 1.00 1.00 C ATOM 1485 NH1 ARG A 87 -17.044 -5.742 -12.777 1.00 1.00 N ATOM 1486 NH2 ARG A 87 -16.798 -6.573 -14.847 1.00 1.00 N ATOM 0 H ARG A 87 -10.709 -4.401 -11.908 1.00 1.00 H new ATOM 0 HA ARG A 87 -12.202 -6.686 -12.539 1.00 1.00 H new ATOM 0 HB2 ARG A 87 -11.259 -4.428 -14.310 1.00 1.00 H new ATOM 0 HB3 ARG A 87 -12.531 -5.568 -14.705 1.00 1.00 H new ATOM 0 HG2 ARG A 87 -12.598 -3.712 -12.281 1.00 1.00 H new ATOM 0 HG3 ARG A 87 -13.354 -3.342 -13.818 1.00 1.00 H new ATOM 0 HD2 ARG A 87 -14.046 -5.696 -12.004 1.00 1.00 H new ATOM 0 HD3 ARG A 87 -14.999 -4.239 -12.205 1.00 1.00 H new ATOM 0 HE ARG A 87 -14.531 -5.668 -14.724 1.00 1.00 H new ATOM 0 HH11 ARG A 87 -16.669 -5.240 -11.972 1.00 1.00 H new ATOM 0 HH12 ARG A 87 -18.010 -6.071 -12.768 1.00 1.00 H new ATOM 0 HH21 ARG A 87 -16.226 -6.728 -15.677 1.00 1.00 H new ATOM 0 HH22 ARG A 87 -17.765 -6.897 -14.827 1.00 1.00 H new ATOM 1500 N GLY A 88 -9.278 -6.649 -13.681 1.00 1.00 N ATOM 1501 CA GLY A 88 -8.275 -7.587 -14.098 1.00 1.00 C ATOM 1502 C GLY A 88 -6.865 -7.133 -13.817 1.00 1.00 C ATOM 1503 O GLY A 88 -6.652 -5.931 -13.597 1.00 1.00 O ATOM 1504 OXT GLY A 88 -6.024 -8.011 -14.003 1.00 1.00 O ATOM 0 H GLY A 88 -8.948 -5.726 -13.399 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -8.448 -8.538 -13.594 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -8.382 -7.768 -15.167 1.00 1.00 H new