USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 766 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 84 ASN : amide:sc= -14.9! C(o=-14!,f=-11!) USER MOD Set 1.2: A 103 SER OG : rot 70:sc= 0.742 USER MOD Set 2.1: A 91 LYS NZ :NH3+ 148:sc= 0.933 (180deg=-0.655) USER MOD Set 2.2: A 99 THR OG1 : rot 150:sc= 0 USER MOD Set 3.1: A 44 LYS NZ :NH3+ 141:sc= -1.13 (180deg=-1.34) USER MOD Set 3.2: A 77 ASN : amide:sc= -3.52! C(o=-4.6!,f=-7.9!) USER MOD Single : A 24 GLN : amide:sc= -2.66 K(o=-2.7,f=-3.3) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -1.83 K(o=-1.8,f=-0.57) USER MOD Single : A 34 SER OG : rot -69:sc= 0.949 USER MOD Single : A 36 SER OG : rot -88:sc= 1.2 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.0033 X(o=-0.0033,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot -160:sc= -0.774 USER MOD Single : A 51 THR OG1 : rot 180:sc= -1.19 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.11 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= -0.254 USER MOD Single : A 64 HIS : no HD1:sc= -13.4! C(o=-13!,f=-16!) USER MOD Single : A 70 LYS NZ :NH3+ -114:sc= 0 (180deg=-0.0802) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.0109 X(o=-0.011,f=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -88:sc= 0.0966 USER MOD Single : A 93 ASN : amide:sc= -0.707 K(o=-0.71,f=-6.9!) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 MET CE :methyl -125:sc= -11.9! (180deg=-21.4!) USER MOD Single : A 104 MET CE :methyl 143:sc= -1.53 (180deg=-4.56!) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 MET CE :methyl 170:sc= -1.12 (180deg=-1.64) USER MOD Single : A 109 ASN : amide:sc= -1.34 X(o=-1.3,f=-1.3) USER MOD Single : A 113 MET CE :methyl -177:sc= 0 (180deg=-0.022) USER MOD Single : A 115 GLN : amide:sc= -6.16! C(o=-6.2!,f=-9.6!) USER MOD ----------------------------------------------------------------- ATOM 283 N GLU A 23 -1.755 15.800 -5.078 1.00 0.00 N ATOM 284 CA GLU A 23 -1.501 14.817 -6.118 1.00 0.00 C ATOM 285 C GLU A 23 -2.289 13.535 -5.840 1.00 0.00 C ATOM 286 O GLU A 23 -2.382 13.095 -4.695 1.00 0.00 O ATOM 287 CB GLU A 23 -0.005 14.525 -6.244 1.00 0.00 C ATOM 288 CG GLU A 23 0.822 15.568 -5.489 1.00 0.00 C ATOM 289 CD GLU A 23 2.320 15.325 -5.684 1.00 0.00 C ATOM 290 OE1 GLU A 23 2.654 14.258 -6.244 1.00 0.00 O ATOM 291 OE2 GLU A 23 3.098 16.212 -5.269 1.00 0.00 O ATOM 0 HA GLU A 23 -1.838 15.228 -7.070 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.210 13.531 -5.851 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.281 14.520 -7.296 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.563 16.567 -5.841 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.579 15.531 -4.427 1.00 0.00 H new ATOM 298 N GLN A 24 -2.836 12.971 -6.907 1.00 0.00 N ATOM 299 CA GLN A 24 -3.612 11.748 -6.793 1.00 0.00 C ATOM 300 C GLN A 24 -3.061 10.679 -7.738 1.00 0.00 C ATOM 301 O GLN A 24 -2.555 10.997 -8.813 1.00 0.00 O ATOM 302 CB GLN A 24 -5.094 12.012 -7.068 1.00 0.00 C ATOM 303 CG GLN A 24 -5.831 10.711 -7.393 1.00 0.00 C ATOM 304 CD GLN A 24 -7.335 10.858 -7.152 1.00 0.00 C ATOM 305 OE1 GLN A 24 -7.779 11.395 -6.151 1.00 0.00 O ATOM 306 NE2 GLN A 24 -8.090 10.352 -8.122 1.00 0.00 N ATOM 0 H GLN A 24 -2.757 13.339 -7.855 1.00 0.00 H new ATOM 0 HA GLN A 24 -3.526 11.380 -5.771 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.550 12.485 -6.199 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -5.195 12.709 -7.900 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.651 10.437 -8.432 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -5.438 9.902 -6.777 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.653 9.916 -8.934 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.107 10.400 -8.055 1.00 0.00 H new ATOM 315 N LEU A 25 -3.177 9.433 -7.303 1.00 0.00 N ATOM 316 CA LEU A 25 -2.697 8.315 -8.097 1.00 0.00 C ATOM 317 C LEU A 25 -3.777 7.233 -8.152 1.00 0.00 C ATOM 318 O LEU A 25 -4.293 6.812 -7.118 1.00 0.00 O ATOM 319 CB LEU A 25 -1.353 7.816 -7.561 1.00 0.00 C ATOM 320 CG LEU A 25 -0.123 8.625 -7.976 1.00 0.00 C ATOM 321 CD1 LEU A 25 1.131 8.125 -7.257 1.00 0.00 C ATOM 322 CD2 LEU A 25 0.049 8.623 -9.496 1.00 0.00 C ATOM 0 H LEU A 25 -3.597 9.173 -6.410 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.508 8.630 -9.123 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.402 7.800 -6.472 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.213 6.786 -7.889 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.278 9.660 -7.671 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.991 8.717 -7.570 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.996 8.223 -6.180 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.301 7.078 -7.508 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.931 9.205 -9.763 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.171 7.598 -9.847 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.832 9.064 -9.962 1.00 0.00 H new ATOM 334 N THR A 26 -4.087 6.813 -9.370 1.00 0.00 N ATOM 335 CA THR A 26 -5.097 5.789 -9.574 1.00 0.00 C ATOM 336 C THR A 26 -4.436 4.438 -9.858 1.00 0.00 C ATOM 337 O THR A 26 -3.856 4.239 -10.924 1.00 0.00 O ATOM 338 CB THR A 26 -6.027 6.257 -10.695 1.00 0.00 C ATOM 339 OG1 THR A 26 -6.683 7.398 -10.147 1.00 0.00 O ATOM 340 CG2 THR A 26 -7.162 5.268 -10.966 1.00 0.00 C ATOM 0 H THR A 26 -3.656 7.164 -10.226 1.00 0.00 H new ATOM 0 HA THR A 26 -5.697 5.641 -8.676 1.00 0.00 H new ATOM 0 HB THR A 26 -5.450 6.405 -11.608 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.305 7.767 -10.809 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.792 5.649 -11.770 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.743 4.305 -11.258 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.761 5.145 -10.063 1.00 0.00 H new ATOM 348 N LEU A 27 -4.546 3.545 -8.885 1.00 0.00 N ATOM 349 CA LEU A 27 -3.967 2.220 -9.017 1.00 0.00 C ATOM 350 C LEU A 27 -5.075 1.170 -8.908 1.00 0.00 C ATOM 351 O LEU A 27 -5.845 1.173 -7.949 1.00 0.00 O ATOM 352 CB LEU A 27 -2.835 2.026 -8.005 1.00 0.00 C ATOM 353 CG LEU A 27 -1.764 3.119 -7.980 1.00 0.00 C ATOM 354 CD1 LEU A 27 -1.036 3.203 -9.323 1.00 0.00 C ATOM 355 CD2 LEU A 27 -2.363 4.465 -7.567 1.00 0.00 C ATOM 0 H LEU A 27 -5.028 3.714 -8.002 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.510 2.101 -9.999 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.273 1.951 -7.010 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.349 1.073 -8.212 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.022 2.853 -7.227 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.280 3.987 -9.279 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.556 2.248 -9.537 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.752 3.434 -10.111 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.581 5.224 -7.557 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.138 4.752 -8.278 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.798 4.380 -6.571 1.00 0.00 H new ATOM 367 N GLU A 28 -5.119 0.298 -9.904 1.00 0.00 N ATOM 368 CA GLU A 28 -6.120 -0.755 -9.932 1.00 0.00 C ATOM 369 C GLU A 28 -5.513 -2.078 -9.462 1.00 0.00 C ATOM 370 O GLU A 28 -4.312 -2.301 -9.609 1.00 0.00 O ATOM 371 CB GLU A 28 -6.728 -0.897 -11.329 1.00 0.00 C ATOM 372 CG GLU A 28 -7.616 0.303 -11.665 1.00 0.00 C ATOM 373 CD GLU A 28 -8.130 0.219 -13.104 1.00 0.00 C ATOM 374 OE1 GLU A 28 -7.340 -0.228 -13.964 1.00 0.00 O ATOM 375 OE2 GLU A 28 -9.301 0.603 -13.312 1.00 0.00 O ATOM 0 H GLU A 28 -4.478 0.299 -10.697 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.923 -0.483 -9.248 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.932 -0.984 -12.069 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.314 -1.814 -11.383 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.459 0.340 -10.975 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.053 1.226 -11.530 1.00 0.00 H new ATOM 382 N ILE A 29 -6.370 -2.922 -8.906 1.00 0.00 N ATOM 383 CA ILE A 29 -5.932 -4.217 -8.413 1.00 0.00 C ATOM 384 C ILE A 29 -7.052 -5.239 -8.614 1.00 0.00 C ATOM 385 O ILE A 29 -8.127 -5.111 -8.030 1.00 0.00 O ATOM 386 CB ILE A 29 -5.454 -4.105 -6.964 1.00 0.00 C ATOM 387 CG1 ILE A 29 -4.190 -3.248 -6.868 1.00 0.00 C ATOM 388 CG2 ILE A 29 -5.257 -5.490 -6.343 1.00 0.00 C ATOM 389 CD1 ILE A 29 -3.762 -3.064 -5.411 1.00 0.00 C ATOM 0 H ILE A 29 -7.365 -2.734 -8.786 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.072 -4.570 -8.981 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.229 -3.601 -6.387 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.384 -3.718 -7.431 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.371 -2.274 -7.323 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -4.917 -5.382 -5.313 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.202 -6.033 -6.358 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.512 -6.043 -6.915 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.861 -2.451 -5.371 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.561 -2.572 -4.857 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.558 -4.038 -4.966 1.00 0.00 H new ATOM 401 N PRO A 30 -6.755 -6.258 -9.465 1.00 0.00 N ATOM 402 CA PRO A 30 -7.725 -7.302 -9.750 1.00 0.00 C ATOM 403 C PRO A 30 -7.847 -8.273 -8.574 1.00 0.00 C ATOM 404 O PRO A 30 -6.880 -8.497 -7.847 1.00 0.00 O ATOM 405 CB PRO A 30 -7.224 -7.967 -11.021 1.00 0.00 C ATOM 406 CG PRO A 30 -5.758 -7.584 -11.142 1.00 0.00 C ATOM 407 CD PRO A 30 -5.493 -6.442 -10.175 1.00 0.00 C ATOM 0 HA PRO A 30 -8.733 -6.913 -9.891 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -7.342 -9.049 -10.968 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -7.789 -7.627 -11.889 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -5.120 -8.437 -10.909 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -5.526 -7.281 -12.163 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -4.683 -6.685 -9.487 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -5.200 -5.535 -10.704 1.00 0.00 H new ATOM 415 N LEU A 31 -9.042 -8.824 -8.425 1.00 0.00 N ATOM 416 CA LEU A 31 -9.303 -9.766 -7.350 1.00 0.00 C ATOM 417 C LEU A 31 -9.966 -11.019 -7.925 1.00 0.00 C ATOM 418 O LEU A 31 -11.100 -11.342 -7.577 1.00 0.00 O ATOM 419 CB LEU A 31 -10.113 -9.099 -6.237 1.00 0.00 C ATOM 420 CG LEU A 31 -9.669 -7.690 -5.836 1.00 0.00 C ATOM 421 CD1 LEU A 31 -10.604 -7.100 -4.779 1.00 0.00 C ATOM 422 CD2 LEU A 31 -8.209 -7.685 -5.378 1.00 0.00 C ATOM 0 H LEU A 31 -9.841 -8.636 -9.031 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.368 -10.083 -6.887 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -11.156 -9.054 -6.551 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.073 -9.736 -5.354 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.733 -7.049 -6.715 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.266 -6.099 -4.512 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -11.617 -7.046 -5.178 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.597 -7.734 -3.892 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.919 -6.672 -5.099 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.095 -8.345 -4.518 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.572 -8.034 -6.190 1.00 0.00 H new ATOM 434 N ASN A 32 -9.229 -11.692 -8.797 1.00 0.00 N ATOM 435 CA ASN A 32 -9.731 -12.903 -9.425 1.00 0.00 C ATOM 436 C ASN A 32 -9.366 -14.110 -8.558 1.00 0.00 C ATOM 437 O ASN A 32 -10.247 -14.808 -8.058 1.00 0.00 O ATOM 438 CB ASN A 32 -9.106 -13.107 -10.806 1.00 0.00 C ATOM 439 CG ASN A 32 -9.428 -11.933 -11.733 1.00 0.00 C ATOM 440 OD1 ASN A 32 -10.337 -11.980 -12.545 1.00 0.00 O ATOM 441 ND2 ASN A 32 -8.634 -10.879 -11.566 1.00 0.00 N ATOM 0 H ASN A 32 -8.288 -11.422 -9.083 1.00 0.00 H new ATOM 0 HA ASN A 32 -10.812 -12.806 -9.529 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -8.025 -13.212 -10.708 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -9.478 -14.033 -11.244 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -8.768 -10.044 -12.136 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -7.891 -10.906 -10.868 1.00 0.00 H new ATOM 448 N ASP A 33 -8.067 -14.319 -8.407 1.00 0.00 N ATOM 449 CA ASP A 33 -7.575 -15.429 -7.609 1.00 0.00 C ATOM 450 C ASP A 33 -7.344 -14.957 -6.173 1.00 0.00 C ATOM 451 O ASP A 33 -7.519 -15.724 -5.227 1.00 0.00 O ATOM 452 CB ASP A 33 -6.244 -15.952 -8.154 1.00 0.00 C ATOM 453 CG ASP A 33 -5.765 -17.268 -7.538 1.00 0.00 C ATOM 454 OD1 ASP A 33 -6.590 -18.206 -7.491 1.00 0.00 O ATOM 455 OD2 ASP A 33 -4.585 -17.306 -7.127 1.00 0.00 O ATOM 0 H ASP A 33 -7.340 -13.738 -8.824 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.318 -16.225 -7.646 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -6.337 -16.086 -9.232 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.479 -15.193 -7.992 1.00 0.00 H new ATOM 460 N SER A 34 -6.955 -13.696 -6.053 1.00 0.00 N ATOM 461 CA SER A 34 -6.699 -13.112 -4.748 1.00 0.00 C ATOM 462 C SER A 34 -8.020 -12.738 -4.073 1.00 0.00 C ATOM 463 O SER A 34 -8.123 -12.759 -2.848 1.00 0.00 O ATOM 464 CB SER A 34 -5.794 -11.884 -4.862 1.00 0.00 C ATOM 465 OG SER A 34 -5.138 -11.588 -3.632 1.00 0.00 O ATOM 0 H SER A 34 -6.811 -13.062 -6.839 1.00 0.00 H new ATOM 0 HA SER A 34 -6.184 -13.853 -4.137 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.048 -12.054 -5.639 1.00 0.00 H new ATOM 0 HB3 SER A 34 -6.387 -11.024 -5.173 1.00 0.00 H new ATOM 0 HG SER A 34 -5.796 -11.269 -2.979 1.00 0.00 H new ATOM 471 N GLY A 35 -8.997 -12.404 -4.903 1.00 0.00 N ATOM 472 CA GLY A 35 -10.308 -12.026 -4.402 1.00 0.00 C ATOM 473 C GLY A 35 -10.857 -13.087 -3.447 1.00 0.00 C ATOM 474 O GLY A 35 -11.468 -12.757 -2.432 1.00 0.00 O ATOM 0 H GLY A 35 -8.907 -12.387 -5.919 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.242 -11.068 -3.887 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.996 -11.893 -5.237 1.00 0.00 H new ATOM 478 N SER A 36 -10.621 -14.340 -3.807 1.00 0.00 N ATOM 479 CA SER A 36 -11.085 -15.452 -2.995 1.00 0.00 C ATOM 480 C SER A 36 -10.848 -15.153 -1.514 1.00 0.00 C ATOM 481 O SER A 36 -11.754 -15.295 -0.695 1.00 0.00 O ATOM 482 CB SER A 36 -10.386 -16.754 -3.393 1.00 0.00 C ATOM 483 OG SER A 36 -8.974 -16.678 -3.214 1.00 0.00 O ATOM 0 H SER A 36 -10.114 -14.610 -4.650 1.00 0.00 H new ATOM 0 HA SER A 36 -12.154 -15.578 -3.167 1.00 0.00 H new ATOM 0 HB2 SER A 36 -10.783 -17.576 -2.797 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.608 -16.980 -4.436 1.00 0.00 H new ATOM 0 HG SER A 36 -8.561 -16.313 -4.024 1.00 0.00 H new ATOM 489 N ALA A 37 -9.623 -14.745 -1.214 1.00 0.00 N ATOM 490 CA ALA A 37 -9.255 -14.424 0.154 1.00 0.00 C ATOM 491 C ALA A 37 -9.434 -12.923 0.388 1.00 0.00 C ATOM 492 O ALA A 37 -9.989 -12.511 1.405 1.00 0.00 O ATOM 493 CB ALA A 37 -7.822 -14.889 0.420 1.00 0.00 C ATOM 0 H ALA A 37 -8.873 -14.630 -1.896 1.00 0.00 H new ATOM 0 HA ALA A 37 -9.903 -14.946 0.858 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.546 -14.648 1.447 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.755 -15.967 0.270 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.142 -14.384 -0.266 1.00 0.00 H new ATOM 499 N GLY A 38 -8.952 -12.146 -0.571 1.00 0.00 N ATOM 500 CA GLY A 38 -9.052 -10.699 -0.483 1.00 0.00 C ATOM 501 C GLY A 38 -7.823 -10.026 -1.097 1.00 0.00 C ATOM 502 O GLY A 38 -6.949 -10.699 -1.640 1.00 0.00 O ATOM 0 H GLY A 38 -8.491 -12.491 -1.413 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.951 -10.361 -0.998 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.151 -10.401 0.561 1.00 0.00 H new ATOM 506 N LEU A 39 -7.795 -8.706 -0.990 1.00 0.00 N ATOM 507 CA LEU A 39 -6.688 -7.934 -1.528 1.00 0.00 C ATOM 508 C LEU A 39 -5.376 -8.670 -1.248 1.00 0.00 C ATOM 509 O LEU A 39 -4.742 -9.187 -2.167 1.00 0.00 O ATOM 510 CB LEU A 39 -6.718 -6.504 -0.986 1.00 0.00 C ATOM 511 CG LEU A 39 -7.692 -5.546 -1.676 1.00 0.00 C ATOM 512 CD1 LEU A 39 -8.005 -4.345 -0.782 1.00 0.00 C ATOM 513 CD2 LEU A 39 -7.161 -5.117 -3.046 1.00 0.00 C ATOM 0 H LEU A 39 -8.522 -8.151 -0.538 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.778 -7.842 -2.610 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.968 -6.543 0.074 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.714 -6.087 -1.062 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.630 -6.075 -1.845 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.699 -3.680 -1.296 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.456 -4.691 0.148 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.084 -3.807 -0.560 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.872 -4.437 -3.515 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.203 -4.612 -2.923 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.030 -5.996 -3.677 1.00 0.00 H new ATOM 525 N GLY A 40 -5.008 -8.694 0.024 1.00 0.00 N ATOM 526 CA GLY A 40 -3.783 -9.358 0.437 1.00 0.00 C ATOM 527 C GLY A 40 -2.742 -8.342 0.913 1.00 0.00 C ATOM 528 O GLY A 40 -1.551 -8.497 0.647 1.00 0.00 O ATOM 0 H GLY A 40 -5.537 -8.264 0.783 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.000 -10.064 1.239 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.379 -9.935 -0.395 1.00 0.00 H new ATOM 532 N VAL A 41 -3.230 -7.325 1.609 1.00 0.00 N ATOM 533 CA VAL A 41 -2.357 -6.285 2.125 1.00 0.00 C ATOM 534 C VAL A 41 -2.884 -5.808 3.480 1.00 0.00 C ATOM 535 O VAL A 41 -4.086 -5.867 3.738 1.00 0.00 O ATOM 536 CB VAL A 41 -2.229 -5.154 1.102 1.00 0.00 C ATOM 537 CG1 VAL A 41 -1.303 -5.557 -0.047 1.00 0.00 C ATOM 538 CG2 VAL A 41 -3.603 -4.732 0.577 1.00 0.00 C ATOM 0 H VAL A 41 -4.218 -7.200 1.827 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.352 -6.675 2.286 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.784 -4.295 1.605 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.229 -4.736 -0.760 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.313 -5.786 0.347 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.706 -6.437 -0.548 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.484 -3.927 -0.148 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.087 -5.583 0.098 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.219 -4.385 1.407 1.00 0.00 H new ATOM 548 N SER A 42 -1.960 -5.346 4.310 1.00 0.00 N ATOM 549 CA SER A 42 -2.317 -4.860 5.632 1.00 0.00 C ATOM 550 C SER A 42 -2.424 -3.334 5.616 1.00 0.00 C ATOM 551 O SER A 42 -1.586 -2.655 5.024 1.00 0.00 O ATOM 552 CB SER A 42 -1.296 -5.310 6.678 1.00 0.00 C ATOM 553 OG SER A 42 -1.837 -5.287 7.996 1.00 0.00 O ATOM 0 H SER A 42 -0.965 -5.298 4.092 1.00 0.00 H new ATOM 0 HA SER A 42 -3.284 -5.283 5.903 1.00 0.00 H new ATOM 0 HB2 SER A 42 -0.957 -6.319 6.443 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.421 -4.661 6.634 1.00 0.00 H new ATOM 0 HG SER A 42 -1.155 -5.583 8.635 1.00 0.00 H new ATOM 559 N LEU A 43 -3.461 -2.839 6.275 1.00 0.00 N ATOM 560 CA LEU A 43 -3.689 -1.405 6.344 1.00 0.00 C ATOM 561 C LEU A 43 -3.599 -0.949 7.802 1.00 0.00 C ATOM 562 O LEU A 43 -3.370 -1.761 8.697 1.00 0.00 O ATOM 563 CB LEU A 43 -5.010 -1.038 5.665 1.00 0.00 C ATOM 564 CG LEU A 43 -5.268 -1.689 4.305 1.00 0.00 C ATOM 565 CD1 LEU A 43 -6.338 -0.923 3.525 1.00 0.00 C ATOM 566 CD2 LEU A 43 -3.969 -1.829 3.509 1.00 0.00 C ATOM 0 H LEU A 43 -4.153 -3.405 6.766 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.916 -0.869 5.793 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.827 -1.306 6.335 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.043 0.044 5.540 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.652 -2.695 4.475 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.502 -1.407 2.562 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.269 -0.919 4.092 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.006 0.103 3.364 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.181 -2.295 2.546 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.533 -0.843 3.347 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.266 -2.449 4.065 1.00 0.00 H new ATOM 578 N LYS A 44 -3.785 0.349 7.995 1.00 0.00 N ATOM 579 CA LYS A 44 -3.728 0.922 9.329 1.00 0.00 C ATOM 580 C LYS A 44 -4.629 2.157 9.387 1.00 0.00 C ATOM 581 O LYS A 44 -4.652 2.958 8.454 1.00 0.00 O ATOM 582 CB LYS A 44 -2.278 1.200 9.732 1.00 0.00 C ATOM 583 CG LYS A 44 -1.766 2.487 9.083 1.00 0.00 C ATOM 584 CD LYS A 44 -0.293 2.355 8.690 1.00 0.00 C ATOM 585 CE LYS A 44 0.441 3.687 8.857 1.00 0.00 C ATOM 586 NZ LYS A 44 0.339 4.493 7.620 1.00 0.00 N ATOM 0 H LYS A 44 -3.975 1.019 7.250 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.109 0.213 10.064 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.208 1.282 10.817 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.647 0.362 9.434 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.363 2.715 8.200 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.888 3.321 9.774 1.00 0.00 H new ATOM 0 HD2 LYS A 44 0.184 1.593 9.306 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.218 2.022 7.655 1.00 0.00 H new ATOM 0 HE2 LYS A 44 0.017 4.240 9.695 1.00 0.00 H new ATOM 0 HE3 LYS A 44 1.489 3.504 9.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 0.206 5.494 7.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 1.211 4.387 7.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.472 4.165 7.058 1.00 0.00 H new ATOM 600 N GLY A 45 -5.350 2.273 10.493 1.00 0.00 N ATOM 601 CA GLY A 45 -6.250 3.397 10.685 1.00 0.00 C ATOM 602 C GLY A 45 -5.643 4.430 11.636 1.00 0.00 C ATOM 603 O GLY A 45 -5.132 4.077 12.698 1.00 0.00 O ATOM 0 H GLY A 45 -5.329 1.607 11.265 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.464 3.864 9.724 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -7.200 3.043 11.086 1.00 0.00 H new ATOM 607 N ASN A 46 -5.719 5.686 11.221 1.00 0.00 N ATOM 608 CA ASN A 46 -5.183 6.773 12.023 1.00 0.00 C ATOM 609 C ASN A 46 -6.325 7.697 12.449 1.00 0.00 C ATOM 610 O ASN A 46 -7.208 8.008 11.652 1.00 0.00 O ATOM 611 CB ASN A 46 -4.176 7.603 11.223 1.00 0.00 C ATOM 612 CG ASN A 46 -2.795 7.571 11.879 1.00 0.00 C ATOM 613 OD1 ASN A 46 -2.575 8.110 12.951 1.00 0.00 O ATOM 614 ND2 ASN A 46 -1.878 6.910 11.178 1.00 0.00 N ATOM 0 H ASN A 46 -6.144 5.975 10.340 1.00 0.00 H new ATOM 0 HA ASN A 46 -4.685 6.339 12.890 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -4.108 7.217 10.206 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -4.524 8.633 11.151 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -0.924 6.832 11.532 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -2.128 6.482 10.287 1.00 0.00 H new ATOM 621 N LYS A 47 -6.270 8.111 13.707 1.00 0.00 N ATOM 622 CA LYS A 47 -7.289 8.994 14.249 1.00 0.00 C ATOM 623 C LYS A 47 -6.616 10.211 14.887 1.00 0.00 C ATOM 624 O LYS A 47 -5.515 10.105 15.425 1.00 0.00 O ATOM 625 CB LYS A 47 -8.208 8.229 15.204 1.00 0.00 C ATOM 626 CG LYS A 47 -9.543 8.955 15.379 1.00 0.00 C ATOM 627 CD LYS A 47 -10.276 8.460 16.628 1.00 0.00 C ATOM 628 CE LYS A 47 -10.979 9.615 17.345 1.00 0.00 C ATOM 629 NZ LYS A 47 -10.856 9.464 18.812 1.00 0.00 N ATOM 0 H LYS A 47 -5.536 7.851 14.366 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.933 9.366 13.453 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -8.384 7.225 14.819 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.721 8.118 16.173 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -9.370 10.028 15.456 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -10.166 8.795 14.499 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -11.007 7.702 16.348 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -9.567 7.984 17.306 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -10.543 10.564 17.033 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.032 9.640 17.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -11.338 10.255 19.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -11.293 8.567 19.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -9.851 9.463 19.078 1.00 0.00 H new ATOM 643 N SER A 48 -7.306 11.339 14.806 1.00 0.00 N ATOM 644 CA SER A 48 -6.789 12.575 15.369 1.00 0.00 C ATOM 645 C SER A 48 -7.615 12.979 16.591 1.00 0.00 C ATOM 646 O SER A 48 -8.837 13.096 16.508 1.00 0.00 O ATOM 647 CB SER A 48 -6.794 13.698 14.330 1.00 0.00 C ATOM 648 OG SER A 48 -5.476 14.050 13.917 1.00 0.00 O ATOM 0 H SER A 48 -8.219 11.423 14.359 1.00 0.00 H new ATOM 0 HA SER A 48 -5.757 12.405 15.676 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.375 13.386 13.462 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.290 14.575 14.747 1.00 0.00 H new ATOM 0 HG SER A 48 -5.486 14.945 13.518 1.00 0.00 H new ATOM 654 N ARG A 49 -6.915 13.181 17.698 1.00 0.00 N ATOM 655 CA ARG A 49 -7.569 13.570 18.936 1.00 0.00 C ATOM 656 C ARG A 49 -7.769 15.087 18.978 1.00 0.00 C ATOM 657 O ARG A 49 -8.880 15.564 19.202 1.00 0.00 O ATOM 658 CB ARG A 49 -6.747 13.138 20.152 1.00 0.00 C ATOM 659 CG ARG A 49 -7.606 12.349 21.142 1.00 0.00 C ATOM 660 CD ARG A 49 -7.642 13.038 22.508 1.00 0.00 C ATOM 661 NE ARG A 49 -8.144 12.099 23.535 1.00 0.00 N ATOM 662 CZ ARG A 49 -7.416 11.108 24.067 1.00 0.00 C ATOM 663 NH1 ARG A 49 -6.149 10.920 23.672 1.00 0.00 N ATOM 664 NH2 ARG A 49 -7.954 10.304 24.995 1.00 0.00 N ATOM 0 H ARG A 49 -5.902 13.083 17.763 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.538 13.071 18.970 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.905 12.526 19.828 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.331 14.017 20.645 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -8.620 12.252 20.753 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.208 11.340 21.250 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -6.644 13.384 22.776 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -8.283 13.918 22.464 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.105 12.213 23.858 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.739 11.532 22.966 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.595 10.165 24.077 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -8.918 10.447 25.296 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -7.399 9.550 25.400 1.00 0.00 H new ATOM 678 N GLU A 50 -6.675 15.802 18.758 1.00 0.00 N ATOM 679 CA GLU A 50 -6.716 17.254 18.767 1.00 0.00 C ATOM 680 C GLU A 50 -7.987 17.753 18.076 1.00 0.00 C ATOM 681 O GLU A 50 -8.851 18.351 18.715 1.00 0.00 O ATOM 682 CB GLU A 50 -5.467 17.842 18.109 1.00 0.00 C ATOM 683 CG GLU A 50 -4.457 18.302 19.162 1.00 0.00 C ATOM 684 CD GLU A 50 -3.865 19.665 18.796 1.00 0.00 C ATOM 685 OE1 GLU A 50 -4.660 20.625 18.714 1.00 0.00 O ATOM 686 OE2 GLU A 50 -2.630 19.714 18.607 1.00 0.00 O ATOM 0 H GLU A 50 -5.755 15.402 18.572 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.733 17.591 19.803 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.008 17.096 17.461 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.747 18.684 17.476 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.943 18.362 20.136 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.658 17.566 19.250 1.00 0.00 H new ATOM 693 N THR A 51 -8.060 17.490 16.780 1.00 0.00 N ATOM 694 CA THR A 51 -9.210 17.905 15.995 1.00 0.00 C ATOM 695 C THR A 51 -10.451 17.111 16.407 1.00 0.00 C ATOM 696 O THR A 51 -11.547 17.664 16.490 1.00 0.00 O ATOM 697 CB THR A 51 -8.854 17.751 14.515 1.00 0.00 C ATOM 698 OG1 THR A 51 -8.498 16.377 14.385 1.00 0.00 O ATOM 699 CG2 THR A 51 -7.576 18.504 14.139 1.00 0.00 C ATOM 0 H THR A 51 -7.341 16.994 16.253 1.00 0.00 H new ATOM 0 HA THR A 51 -9.456 18.951 16.177 1.00 0.00 H new ATOM 0 HB THR A 51 -9.681 18.111 13.903 1.00 0.00 H new ATOM 0 HG1 THR A 51 -8.254 16.189 13.455 1.00 0.00 H new ATOM 0 HG21 THR A 51 -7.369 18.362 13.078 1.00 0.00 H new ATOM 0 HG22 THR A 51 -7.706 19.567 14.344 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.742 18.121 14.726 1.00 0.00 H new ATOM 707 N GLY A 52 -10.238 15.827 16.654 1.00 0.00 N ATOM 708 CA GLY A 52 -11.326 14.951 17.055 1.00 0.00 C ATOM 709 C GLY A 52 -12.059 14.393 15.834 1.00 0.00 C ATOM 710 O GLY A 52 -13.289 14.390 15.791 1.00 0.00 O ATOM 0 H GLY A 52 -9.328 15.372 16.584 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.934 14.130 17.655 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -12.026 15.500 17.685 1.00 0.00 H new ATOM 714 N THR A 53 -11.274 13.934 14.870 1.00 0.00 N ATOM 715 CA THR A 53 -11.833 13.374 13.652 1.00 0.00 C ATOM 716 C THR A 53 -11.019 12.161 13.199 1.00 0.00 C ATOM 717 O THR A 53 -9.951 11.887 13.744 1.00 0.00 O ATOM 718 CB THR A 53 -11.896 14.489 12.605 1.00 0.00 C ATOM 719 OG1 THR A 53 -12.816 15.428 13.153 1.00 0.00 O ATOM 720 CG2 THR A 53 -12.558 14.033 11.303 1.00 0.00 C ATOM 0 H THR A 53 -10.255 13.939 14.908 1.00 0.00 H new ATOM 0 HA THR A 53 -12.845 13.003 13.816 1.00 0.00 H new ATOM 0 HB THR A 53 -10.888 14.846 12.393 1.00 0.00 H new ATOM 0 HG1 THR A 53 -12.915 16.185 12.539 1.00 0.00 H new ATOM 0 HG21 THR A 53 -12.577 14.861 10.595 1.00 0.00 H new ATOM 0 HG22 THR A 53 -11.991 13.205 10.877 1.00 0.00 H new ATOM 0 HG23 THR A 53 -13.578 13.707 11.508 1.00 0.00 H new ATOM 728 N ASP A 54 -11.555 11.465 12.207 1.00 0.00 N ATOM 729 CA ASP A 54 -10.891 10.287 11.675 1.00 0.00 C ATOM 730 C ASP A 54 -9.958 10.704 10.535 1.00 0.00 C ATOM 731 O ASP A 54 -10.411 10.965 9.422 1.00 0.00 O ATOM 732 CB ASP A 54 -11.906 9.289 11.114 1.00 0.00 C ATOM 733 CG ASP A 54 -13.098 9.917 10.390 1.00 0.00 C ATOM 734 OD1 ASP A 54 -14.075 10.256 11.092 1.00 0.00 O ATOM 735 OD2 ASP A 54 -13.006 10.044 9.150 1.00 0.00 O ATOM 0 H ASP A 54 -12.442 11.694 11.758 1.00 0.00 H new ATOM 0 HA ASP A 54 -10.335 9.818 12.486 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -11.392 8.620 10.423 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -12.280 8.675 11.933 1.00 0.00 H new ATOM 740 N LEU A 55 -8.673 10.752 10.853 1.00 0.00 N ATOM 741 CA LEU A 55 -7.673 11.132 9.869 1.00 0.00 C ATOM 742 C LEU A 55 -7.995 10.457 8.534 1.00 0.00 C ATOM 743 O LEU A 55 -7.822 11.057 7.474 1.00 0.00 O ATOM 744 CB LEU A 55 -6.267 10.827 10.390 1.00 0.00 C ATOM 745 CG LEU A 55 -5.713 11.798 11.435 1.00 0.00 C ATOM 746 CD1 LEU A 55 -4.338 11.347 11.928 1.00 0.00 C ATOM 747 CD2 LEU A 55 -5.687 13.229 10.894 1.00 0.00 C ATOM 0 H LEU A 55 -8.301 10.534 11.777 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.697 12.208 9.696 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.270 9.825 10.819 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.583 10.808 9.542 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.381 11.791 12.296 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.967 12.055 12.670 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.420 10.358 12.379 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.645 11.306 11.087 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.289 13.899 11.656 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.054 13.271 10.007 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.699 13.538 10.632 1.00 0.00 H new ATOM 759 N GLY A 56 -8.456 9.219 8.630 1.00 0.00 N ATOM 760 CA GLY A 56 -8.803 8.456 7.443 1.00 0.00 C ATOM 761 C GLY A 56 -8.136 7.080 7.461 1.00 0.00 C ATOM 762 O GLY A 56 -7.684 6.619 8.508 1.00 0.00 O ATOM 0 H GLY A 56 -8.597 8.725 9.511 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.885 8.339 7.385 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.494 9.002 6.552 1.00 0.00 H new ATOM 766 N ILE A 57 -8.095 6.462 6.290 1.00 0.00 N ATOM 767 CA ILE A 57 -7.490 5.148 6.158 1.00 0.00 C ATOM 768 C ILE A 57 -6.163 5.275 5.406 1.00 0.00 C ATOM 769 O ILE A 57 -6.013 6.141 4.546 1.00 0.00 O ATOM 770 CB ILE A 57 -8.471 4.168 5.511 1.00 0.00 C ATOM 771 CG1 ILE A 57 -9.725 4.000 6.372 1.00 0.00 C ATOM 772 CG2 ILE A 57 -7.795 2.828 5.216 1.00 0.00 C ATOM 773 CD1 ILE A 57 -9.360 3.572 7.795 1.00 0.00 C ATOM 0 H ILE A 57 -8.471 6.847 5.424 1.00 0.00 H new ATOM 0 HA ILE A 57 -7.263 4.734 7.140 1.00 0.00 H new ATOM 0 HB ILE A 57 -8.789 4.585 4.555 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -10.279 4.938 6.401 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -10.382 3.256 5.922 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -8.515 2.151 4.757 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.958 2.985 4.535 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.429 2.392 6.146 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -10.269 3.460 8.386 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -8.828 2.621 7.764 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -8.723 4.330 8.251 1.00 0.00 H new ATOM 785 N PHE A 58 -5.234 4.398 5.758 1.00 0.00 N ATOM 786 CA PHE A 58 -3.925 4.401 5.128 1.00 0.00 C ATOM 787 C PHE A 58 -3.407 2.975 4.932 1.00 0.00 C ATOM 788 O PHE A 58 -3.816 2.059 5.644 1.00 0.00 O ATOM 789 CB PHE A 58 -2.978 5.151 6.067 1.00 0.00 C ATOM 790 CG PHE A 58 -3.451 6.559 6.435 1.00 0.00 C ATOM 791 CD1 PHE A 58 -4.571 6.724 7.188 1.00 0.00 C ATOM 792 CD2 PHE A 58 -2.753 7.644 6.007 1.00 0.00 C ATOM 793 CE1 PHE A 58 -5.011 8.031 7.529 1.00 0.00 C ATOM 794 CE2 PHE A 58 -3.192 8.951 6.348 1.00 0.00 C ATOM 795 CZ PHE A 58 -4.312 9.116 7.102 1.00 0.00 C ATOM 0 H PHE A 58 -5.362 3.681 6.472 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.985 4.874 4.148 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.854 4.570 6.981 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.997 5.220 5.598 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.126 5.862 7.527 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.864 7.512 5.408 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -5.900 8.163 8.127 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.637 9.813 6.009 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.646 10.110 7.362 1.00 0.00 H new ATOM 805 N ILE A 59 -2.513 2.831 3.965 1.00 0.00 N ATOM 806 CA ILE A 59 -1.935 1.532 3.667 1.00 0.00 C ATOM 807 C ILE A 59 -0.807 1.241 4.659 1.00 0.00 C ATOM 808 O ILE A 59 -0.123 2.157 5.113 1.00 0.00 O ATOM 809 CB ILE A 59 -1.499 1.463 2.202 1.00 0.00 C ATOM 810 CG1 ILE A 59 -2.677 1.739 1.265 1.00 0.00 C ATOM 811 CG2 ILE A 59 -0.822 0.126 1.894 1.00 0.00 C ATOM 812 CD1 ILE A 59 -2.274 1.534 -0.197 1.00 0.00 C ATOM 0 H ILE A 59 -2.175 3.593 3.377 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.680 0.746 3.791 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.760 2.245 2.028 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.507 1.077 1.513 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -3.029 2.760 1.409 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.522 0.103 0.846 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.058 0.010 2.526 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.519 -0.689 2.090 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.129 1.736 -0.842 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.460 2.214 -0.449 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.945 0.505 -0.343 1.00 0.00 H new ATOM 824 N LYS A 60 -0.648 -0.038 4.966 1.00 0.00 N ATOM 825 CA LYS A 60 0.386 -0.461 5.896 1.00 0.00 C ATOM 826 C LYS A 60 1.614 -0.925 5.110 1.00 0.00 C ATOM 827 O LYS A 60 2.724 -0.455 5.353 1.00 0.00 O ATOM 828 CB LYS A 60 -0.161 -1.514 6.861 1.00 0.00 C ATOM 829 CG LYS A 60 0.348 -1.272 8.284 1.00 0.00 C ATOM 830 CD LYS A 60 -0.198 -2.325 9.249 1.00 0.00 C ATOM 831 CE LYS A 60 0.797 -3.474 9.427 1.00 0.00 C ATOM 832 NZ LYS A 60 0.517 -4.212 10.679 1.00 0.00 N ATOM 0 H LYS A 60 -1.217 -0.795 4.588 1.00 0.00 H new ATOM 0 HA LYS A 60 0.704 0.375 6.519 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.251 -1.490 6.852 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.138 -2.508 6.528 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.438 -1.296 8.293 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.048 -0.278 8.617 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.405 -1.865 10.215 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.144 -2.713 8.872 1.00 0.00 H new ATOM 0 HE2 LYS A 60 0.734 -4.152 8.576 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.814 -3.082 9.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.201 -4.988 10.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.599 -3.565 11.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.447 -4.602 10.644 1.00 0.00 H new ATOM 846 N SER A 61 1.372 -1.843 4.185 1.00 0.00 N ATOM 847 CA SER A 61 2.445 -2.376 3.362 1.00 0.00 C ATOM 848 C SER A 61 1.873 -3.329 2.311 1.00 0.00 C ATOM 849 O SER A 61 0.707 -3.712 2.384 1.00 0.00 O ATOM 850 CB SER A 61 3.490 -3.094 4.218 1.00 0.00 C ATOM 851 OG SER A 61 3.845 -4.362 3.674 1.00 0.00 O ATOM 0 H SER A 61 0.450 -2.231 3.987 1.00 0.00 H new ATOM 0 HA SER A 61 2.937 -1.544 2.859 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.381 -2.472 4.300 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.102 -3.228 5.228 1.00 0.00 H new ATOM 0 HG SER A 61 4.515 -4.788 4.248 1.00 0.00 H new ATOM 857 N ILE A 62 2.722 -3.685 1.358 1.00 0.00 N ATOM 858 CA ILE A 62 2.316 -4.586 0.293 1.00 0.00 C ATOM 859 C ILE A 62 3.017 -5.934 0.476 1.00 0.00 C ATOM 860 O ILE A 62 4.204 -5.981 0.796 1.00 0.00 O ATOM 861 CB ILE A 62 2.563 -3.945 -1.075 1.00 0.00 C ATOM 862 CG1 ILE A 62 1.863 -2.589 -1.179 1.00 0.00 C ATOM 863 CG2 ILE A 62 2.152 -4.891 -2.205 1.00 0.00 C ATOM 864 CD1 ILE A 62 2.880 -1.446 -1.191 1.00 0.00 C ATOM 0 H ILE A 62 3.689 -3.366 1.301 1.00 0.00 H new ATOM 0 HA ILE A 62 1.244 -4.775 0.342 1.00 0.00 H new ATOM 0 HB ILE A 62 3.633 -3.764 -1.180 1.00 0.00 H new ATOM 0 HG12 ILE A 62 1.262 -2.555 -2.088 1.00 0.00 H new ATOM 0 HG13 ILE A 62 1.179 -2.463 -0.339 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.338 -4.412 -3.166 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.734 -5.810 -2.140 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.091 -5.126 -2.115 1.00 0.00 H new ATOM 0 HD11 ILE A 62 2.356 -0.493 -1.266 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.463 -1.468 -0.270 1.00 0.00 H new ATOM 0 HD13 ILE A 62 3.547 -1.561 -2.046 1.00 0.00 H new ATOM 876 N ILE A 63 2.253 -6.995 0.264 1.00 0.00 N ATOM 877 CA ILE A 63 2.786 -8.340 0.402 1.00 0.00 C ATOM 878 C ILE A 63 3.313 -8.817 -0.953 1.00 0.00 C ATOM 879 O ILE A 63 2.536 -9.045 -1.879 1.00 0.00 O ATOM 880 CB ILE A 63 1.739 -9.271 1.017 1.00 0.00 C ATOM 881 CG1 ILE A 63 1.600 -9.022 2.521 1.00 0.00 C ATOM 882 CG2 ILE A 63 2.057 -10.735 0.705 1.00 0.00 C ATOM 883 CD1 ILE A 63 0.716 -7.805 2.795 1.00 0.00 C ATOM 0 H ILE A 63 1.269 -6.951 -0.002 1.00 0.00 H new ATOM 0 HA ILE A 63 3.629 -8.346 1.093 1.00 0.00 H new ATOM 0 HB ILE A 63 0.774 -9.047 0.563 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.172 -9.902 3.001 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.585 -8.867 2.960 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.298 -11.376 1.153 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.065 -10.883 -0.375 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.035 -10.990 1.114 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.633 -7.650 3.871 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.159 -6.922 2.334 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.276 -7.974 2.376 1.00 0.00 H new ATOM 895 N HIS A 64 4.629 -8.953 -1.026 1.00 0.00 N ATOM 896 CA HIS A 64 5.268 -9.398 -2.253 1.00 0.00 C ATOM 897 C HIS A 64 4.993 -10.888 -2.463 1.00 0.00 C ATOM 898 O HIS A 64 4.863 -11.641 -1.499 1.00 0.00 O ATOM 899 CB HIS A 64 6.761 -9.067 -2.238 1.00 0.00 C ATOM 900 CG HIS A 64 7.515 -9.574 -3.445 1.00 0.00 C ATOM 901 ND1 HIS A 64 7.511 -10.905 -3.826 1.00 0.00 N ATOM 902 CD2 HIS A 64 8.293 -8.916 -4.351 1.00 0.00 C ATOM 903 CE1 HIS A 64 8.258 -11.030 -4.913 1.00 0.00 C ATOM 904 NE2 HIS A 64 8.742 -9.797 -5.236 1.00 0.00 N ATOM 0 H HIS A 64 5.270 -8.763 -0.256 1.00 0.00 H new ATOM 0 HA HIS A 64 4.845 -8.863 -3.103 1.00 0.00 H new ATOM 0 HB2 HIS A 64 6.882 -7.986 -2.175 1.00 0.00 H new ATOM 0 HB3 HIS A 64 7.208 -9.491 -1.339 1.00 0.00 H new ATOM 0 HD2 HIS A 64 8.507 -7.858 -4.349 1.00 0.00 H new ATOM 0 HE1 HIS A 64 8.450 -11.948 -5.449 1.00 0.00 H new ATOM 0 HE2 HIS A 64 9.349 -9.586 -6.028 1.00 0.00 H new ATOM 912 N GLY A 65 4.912 -11.270 -3.729 1.00 0.00 N ATOM 913 CA GLY A 65 4.655 -12.657 -4.078 1.00 0.00 C ATOM 914 C GLY A 65 3.152 -12.941 -4.124 1.00 0.00 C ATOM 915 O GLY A 65 2.738 -14.096 -4.214 1.00 0.00 O ATOM 0 H GLY A 65 5.020 -10.643 -4.526 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.101 -12.881 -5.047 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.131 -13.313 -3.349 1.00 0.00 H new ATOM 919 N GLY A 66 2.377 -11.869 -4.058 1.00 0.00 N ATOM 920 CA GLY A 66 0.930 -11.989 -4.091 1.00 0.00 C ATOM 921 C GLY A 66 0.343 -11.224 -5.279 1.00 0.00 C ATOM 922 O GLY A 66 0.974 -11.123 -6.330 1.00 0.00 O ATOM 0 H GLY A 66 2.724 -10.913 -3.982 1.00 0.00 H new ATOM 0 HA2 GLY A 66 0.650 -13.040 -4.157 1.00 0.00 H new ATOM 0 HA3 GLY A 66 0.508 -11.605 -3.162 1.00 0.00 H new ATOM 926 N ALA A 67 -0.859 -10.706 -5.073 1.00 0.00 N ATOM 927 CA ALA A 67 -1.538 -9.953 -6.114 1.00 0.00 C ATOM 928 C ALA A 67 -1.184 -8.471 -5.980 1.00 0.00 C ATOM 929 O ALA A 67 -0.780 -7.836 -6.953 1.00 0.00 O ATOM 930 CB ALA A 67 -3.045 -10.203 -6.024 1.00 0.00 C ATOM 0 H ALA A 67 -1.380 -10.793 -4.201 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.211 -10.282 -7.100 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.555 -9.638 -6.805 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.246 -11.266 -6.155 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.409 -9.883 -5.048 1.00 0.00 H new ATOM 936 N ALA A 68 -1.347 -7.963 -4.767 1.00 0.00 N ATOM 937 CA ALA A 68 -1.049 -6.568 -4.494 1.00 0.00 C ATOM 938 C ALA A 68 0.395 -6.270 -4.900 1.00 0.00 C ATOM 939 O ALA A 68 0.695 -5.180 -5.385 1.00 0.00 O ATOM 940 CB ALA A 68 -1.312 -6.270 -3.016 1.00 0.00 C ATOM 0 H ALA A 68 -1.682 -8.493 -3.962 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.697 -5.916 -5.079 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.088 -5.223 -2.811 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.358 -6.470 -2.785 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.677 -6.905 -2.398 1.00 0.00 H new ATOM 946 N PHE A 69 1.252 -7.258 -4.688 1.00 0.00 N ATOM 947 CA PHE A 69 2.658 -7.116 -5.027 1.00 0.00 C ATOM 948 C PHE A 69 2.832 -6.309 -6.315 1.00 0.00 C ATOM 949 O PHE A 69 3.692 -5.432 -6.391 1.00 0.00 O ATOM 950 CB PHE A 69 3.211 -8.526 -5.243 1.00 0.00 C ATOM 951 CG PHE A 69 4.598 -8.558 -5.887 1.00 0.00 C ATOM 952 CD1 PHE A 69 5.511 -7.595 -5.586 1.00 0.00 C ATOM 953 CD2 PHE A 69 4.919 -9.549 -6.761 1.00 0.00 C ATOM 954 CE1 PHE A 69 6.798 -7.625 -6.184 1.00 0.00 C ATOM 955 CE2 PHE A 69 6.207 -9.579 -7.359 1.00 0.00 C ATOM 956 CZ PHE A 69 7.119 -8.616 -7.058 1.00 0.00 C ATOM 0 H PHE A 69 1.000 -8.161 -4.285 1.00 0.00 H new ATOM 0 HA PHE A 69 3.183 -6.592 -4.228 1.00 0.00 H new ATOM 0 HB2 PHE A 69 3.256 -9.039 -4.282 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.517 -9.085 -5.871 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.256 -6.808 -4.892 1.00 0.00 H new ATOM 0 HD2 PHE A 69 4.195 -10.313 -7.000 1.00 0.00 H new ATOM 0 HE1 PHE A 69 7.522 -6.861 -5.945 1.00 0.00 H new ATOM 0 HE2 PHE A 69 6.462 -10.366 -8.053 1.00 0.00 H new ATOM 0 HZ PHE A 69 8.098 -8.638 -7.513 1.00 0.00 H new ATOM 966 N LYS A 70 2.004 -6.635 -7.297 1.00 0.00 N ATOM 967 CA LYS A 70 2.056 -5.952 -8.578 1.00 0.00 C ATOM 968 C LYS A 70 1.936 -4.444 -8.352 1.00 0.00 C ATOM 969 O LYS A 70 2.773 -3.674 -8.821 1.00 0.00 O ATOM 970 CB LYS A 70 1.000 -6.517 -9.530 1.00 0.00 C ATOM 971 CG LYS A 70 1.245 -8.003 -9.802 1.00 0.00 C ATOM 972 CD LYS A 70 -0.003 -8.667 -10.385 1.00 0.00 C ATOM 973 CE LYS A 70 0.045 -8.677 -11.915 1.00 0.00 C ATOM 974 NZ LYS A 70 -0.570 -7.447 -12.460 1.00 0.00 N ATOM 0 H LYS A 70 1.293 -7.364 -7.231 1.00 0.00 H new ATOM 0 HA LYS A 70 3.016 -6.127 -9.064 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.008 -6.381 -9.100 1.00 0.00 H new ATOM 0 HB3 LYS A 70 1.019 -5.964 -10.469 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.079 -8.117 -10.495 1.00 0.00 H new ATOM 0 HG3 LYS A 70 1.529 -8.504 -8.876 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.083 -9.689 -10.013 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -0.893 -8.135 -10.049 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.079 -8.754 -12.252 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -0.480 -9.553 -12.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.436 -7.693 -12.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.807 -6.802 -11.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.100 -6.980 -13.104 1.00 0.00 H new ATOM 988 N ASP A 71 0.888 -4.067 -7.634 1.00 0.00 N ATOM 989 CA ASP A 71 0.647 -2.664 -7.341 1.00 0.00 C ATOM 990 C ASP A 71 1.588 -2.213 -6.221 1.00 0.00 C ATOM 991 O ASP A 71 1.729 -1.018 -5.968 1.00 0.00 O ATOM 992 CB ASP A 71 -0.790 -2.438 -6.870 1.00 0.00 C ATOM 993 CG ASP A 71 -1.432 -1.135 -7.351 1.00 0.00 C ATOM 994 OD1 ASP A 71 -0.806 -0.478 -8.211 1.00 0.00 O ATOM 995 OD2 ASP A 71 -2.533 -0.825 -6.848 1.00 0.00 O ATOM 0 H ASP A 71 0.196 -4.709 -7.247 1.00 0.00 H new ATOM 0 HA ASP A 71 0.821 -2.094 -8.254 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -1.403 -3.274 -7.208 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.805 -2.452 -5.780 1.00 0.00 H new ATOM 1000 N GLY A 72 2.207 -3.194 -5.581 1.00 0.00 N ATOM 1001 CA GLY A 72 3.130 -2.914 -4.495 1.00 0.00 C ATOM 1002 C GLY A 72 3.943 -1.649 -4.779 1.00 0.00 C ATOM 1003 O GLY A 72 4.339 -0.940 -3.855 1.00 0.00 O ATOM 0 H GLY A 72 2.087 -4.184 -5.794 1.00 0.00 H new ATOM 0 HA2 GLY A 72 2.576 -2.793 -3.564 1.00 0.00 H new ATOM 0 HA3 GLY A 72 3.803 -3.760 -4.358 1.00 0.00 H new ATOM 1007 N ARG A 73 4.169 -1.405 -6.062 1.00 0.00 N ATOM 1008 CA ARG A 73 4.928 -0.238 -6.479 1.00 0.00 C ATOM 1009 C ARG A 73 4.586 0.962 -5.593 1.00 0.00 C ATOM 1010 O ARG A 73 5.426 1.833 -5.372 1.00 0.00 O ATOM 1011 CB ARG A 73 4.636 0.115 -7.939 1.00 0.00 C ATOM 1012 CG ARG A 73 3.136 0.312 -8.166 1.00 0.00 C ATOM 1013 CD ARG A 73 2.868 0.964 -9.524 1.00 0.00 C ATOM 1014 NE ARG A 73 2.937 2.437 -9.401 1.00 0.00 N ATOM 1015 CZ ARG A 73 2.422 3.291 -10.296 1.00 0.00 C ATOM 1016 NH1 ARG A 73 1.797 2.824 -11.385 1.00 0.00 N ATOM 1017 NH2 ARG A 73 2.531 4.613 -10.102 1.00 0.00 N ATOM 0 H ARG A 73 3.840 -1.995 -6.826 1.00 0.00 H new ATOM 0 HA ARG A 73 5.987 -0.477 -6.379 1.00 0.00 H new ATOM 0 HB2 ARG A 73 5.171 1.025 -8.211 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.005 -0.678 -8.589 1.00 0.00 H new ATOM 0 HG2 ARG A 73 2.627 -0.651 -8.114 1.00 0.00 H new ATOM 0 HG3 ARG A 73 2.723 0.934 -7.372 1.00 0.00 H new ATOM 0 HD2 ARG A 73 3.600 0.617 -10.254 1.00 0.00 H new ATOM 0 HD3 ARG A 73 1.886 0.667 -9.892 1.00 0.00 H new ATOM 0 HE ARG A 73 3.406 2.827 -8.583 1.00 0.00 H new ATOM 0 HH11 ARG A 73 1.713 1.818 -11.533 1.00 0.00 H new ATOM 0 HH12 ARG A 73 1.405 3.474 -12.066 1.00 0.00 H new ATOM 0 HH21 ARG A 73 3.006 4.969 -9.273 1.00 0.00 H new ATOM 0 HH22 ARG A 73 2.139 5.263 -10.784 1.00 0.00 H new ATOM 1031 N LEU A 74 3.353 0.968 -5.110 1.00 0.00 N ATOM 1032 CA LEU A 74 2.890 2.047 -4.253 1.00 0.00 C ATOM 1033 C LEU A 74 3.711 2.054 -2.962 1.00 0.00 C ATOM 1034 O LEU A 74 4.574 1.200 -2.766 1.00 0.00 O ATOM 1035 CB LEU A 74 1.382 1.939 -4.023 1.00 0.00 C ATOM 1036 CG LEU A 74 0.492 2.454 -5.156 1.00 0.00 C ATOM 1037 CD1 LEU A 74 -0.959 2.010 -4.958 1.00 0.00 C ATOM 1038 CD2 LEU A 74 0.612 3.973 -5.300 1.00 0.00 C ATOM 0 H LEU A 74 2.660 0.243 -5.295 1.00 0.00 H new ATOM 0 HA LEU A 74 3.046 3.012 -4.736 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.136 0.893 -3.842 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.133 2.487 -3.114 1.00 0.00 H new ATOM 0 HG LEU A 74 0.839 2.013 -6.091 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.570 2.389 -5.777 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.007 0.921 -4.943 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.334 2.403 -4.013 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.030 4.313 -6.112 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.306 4.452 -4.370 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.646 4.237 -5.521 1.00 0.00 H new ATOM 1050 N ARG A 75 3.412 3.027 -2.113 1.00 0.00 N ATOM 1051 CA ARG A 75 4.110 3.156 -0.846 1.00 0.00 C ATOM 1052 C ARG A 75 3.108 3.265 0.304 1.00 0.00 C ATOM 1053 O ARG A 75 2.246 4.143 0.300 1.00 0.00 O ATOM 1054 CB ARG A 75 5.018 4.388 -0.841 1.00 0.00 C ATOM 1055 CG ARG A 75 5.740 4.542 -2.181 1.00 0.00 C ATOM 1056 CD ARG A 75 6.876 3.526 -2.313 1.00 0.00 C ATOM 1057 NE ARG A 75 8.021 4.135 -3.026 1.00 0.00 N ATOM 1058 CZ ARG A 75 8.717 5.185 -2.570 1.00 0.00 C ATOM 1059 NH1 ARG A 75 8.391 5.748 -1.399 1.00 0.00 N ATOM 1060 NH2 ARG A 75 9.741 5.671 -3.285 1.00 0.00 N ATOM 0 H ARG A 75 2.695 3.734 -2.279 1.00 0.00 H new ATOM 0 HA ARG A 75 4.724 2.265 -0.714 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.425 5.280 -0.638 1.00 0.00 H new ATOM 0 HB3 ARG A 75 5.749 4.302 -0.037 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.031 4.408 -2.998 1.00 0.00 H new ATOM 0 HG3 ARG A 75 6.139 5.552 -2.269 1.00 0.00 H new ATOM 0 HD2 ARG A 75 7.190 3.189 -1.325 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.527 2.646 -2.854 1.00 0.00 H new ATOM 0 HE ARG A 75 8.297 3.730 -3.920 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.613 5.377 -0.854 1.00 0.00 H new ATOM 0 HH12 ARG A 75 8.921 6.547 -1.052 1.00 0.00 H new ATOM 0 HH21 ARG A 75 9.990 5.242 -4.176 1.00 0.00 H new ATOM 0 HH22 ARG A 75 10.271 6.470 -2.938 1.00 0.00 H new ATOM 1074 N MET A 76 3.254 2.362 1.262 1.00 0.00 N ATOM 1075 CA MET A 76 2.372 2.345 2.416 1.00 0.00 C ATOM 1076 C MET A 76 2.122 3.763 2.936 1.00 0.00 C ATOM 1077 O MET A 76 2.826 4.698 2.559 1.00 0.00 O ATOM 1078 CB MET A 76 2.998 1.498 3.526 1.00 0.00 C ATOM 1079 CG MET A 76 4.411 1.982 3.854 1.00 0.00 C ATOM 1080 SD MET A 76 5.555 0.613 3.793 1.00 0.00 S ATOM 1081 CE MET A 76 6.761 1.267 2.651 1.00 0.00 C ATOM 0 H MET A 76 3.971 1.636 1.263 1.00 0.00 H new ATOM 0 HA MET A 76 1.417 1.915 2.113 1.00 0.00 H new ATOM 0 HB2 MET A 76 2.376 1.547 4.420 1.00 0.00 H new ATOM 0 HB3 MET A 76 3.030 0.453 3.217 1.00 0.00 H new ATOM 0 HG2 MET A 76 4.714 2.752 3.145 1.00 0.00 H new ATOM 0 HG3 MET A 76 4.428 2.437 4.844 1.00 0.00 H new ATOM 0 HE1 MET A 76 7.553 0.534 2.499 1.00 0.00 H new ATOM 0 HE2 MET A 76 6.279 1.484 1.698 1.00 0.00 H new ATOM 0 HE3 MET A 76 7.188 2.183 3.058 1.00 0.00 H new ATOM 1091 N ASN A 77 1.118 3.876 3.793 1.00 0.00 N ATOM 1092 CA ASN A 77 0.767 5.164 4.368 1.00 0.00 C ATOM 1093 C ASN A 77 -0.132 5.925 3.392 1.00 0.00 C ATOM 1094 O ASN A 77 -0.564 7.040 3.681 1.00 0.00 O ATOM 1095 CB ASN A 77 2.015 6.012 4.622 1.00 0.00 C ATOM 1096 CG ASN A 77 3.167 5.151 5.142 1.00 0.00 C ATOM 1097 OD1 ASN A 77 2.976 4.078 5.691 1.00 0.00 O ATOM 1098 ND2 ASN A 77 4.371 5.679 4.941 1.00 0.00 N ATOM 0 H ASN A 77 0.537 3.097 4.103 1.00 0.00 H new ATOM 0 HA ASN A 77 0.255 4.984 5.313 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.315 6.509 3.699 1.00 0.00 H new ATOM 0 HB3 ASN A 77 1.786 6.795 5.345 1.00 0.00 H new ATOM 0 HD21 ASN A 77 5.205 5.181 5.253 1.00 0.00 H new ATOM 0 HD22 ASN A 77 4.461 6.582 4.475 1.00 0.00 H new ATOM 1105 N ASP A 78 -0.388 5.292 2.257 1.00 0.00 N ATOM 1106 CA ASP A 78 -1.228 5.896 1.237 1.00 0.00 C ATOM 1107 C ASP A 78 -2.639 6.092 1.795 1.00 0.00 C ATOM 1108 O ASP A 78 -3.335 5.121 2.089 1.00 0.00 O ATOM 1109 CB ASP A 78 -1.328 4.998 0.002 1.00 0.00 C ATOM 1110 CG ASP A 78 -0.324 5.310 -1.108 1.00 0.00 C ATOM 1111 OD1 ASP A 78 -0.254 6.497 -1.493 1.00 0.00 O ATOM 1112 OD2 ASP A 78 0.352 4.354 -1.547 1.00 0.00 O ATOM 0 H ASP A 78 -0.029 4.367 2.021 1.00 0.00 H new ATOM 0 HA ASP A 78 -0.782 6.849 0.954 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -1.192 3.962 0.313 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -2.335 5.079 -0.407 1.00 0.00 H new ATOM 1117 N GLN A 79 -3.020 7.355 1.924 1.00 0.00 N ATOM 1118 CA GLN A 79 -4.336 7.691 2.441 1.00 0.00 C ATOM 1119 C GLN A 79 -5.419 7.286 1.439 1.00 0.00 C ATOM 1120 O GLN A 79 -5.389 7.707 0.284 1.00 0.00 O ATOM 1121 CB GLN A 79 -4.428 9.180 2.778 1.00 0.00 C ATOM 1122 CG GLN A 79 -5.475 9.432 3.865 1.00 0.00 C ATOM 1123 CD GLN A 79 -5.862 10.912 3.921 1.00 0.00 C ATOM 1124 OE1 GLN A 79 -5.033 11.790 4.096 1.00 0.00 O ATOM 1125 NE2 GLN A 79 -7.163 11.137 3.764 1.00 0.00 N ATOM 0 H GLN A 79 -2.440 8.158 1.679 1.00 0.00 H new ATOM 0 HA GLN A 79 -4.497 7.133 3.364 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -3.456 9.541 3.113 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -4.686 9.744 1.882 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.361 8.828 3.669 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -5.083 9.118 4.832 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -7.802 10.355 3.621 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -7.522 12.092 3.786 1.00 0.00 H new ATOM 1134 N LEU A 80 -6.350 6.475 1.919 1.00 0.00 N ATOM 1135 CA LEU A 80 -7.441 6.009 1.079 1.00 0.00 C ATOM 1136 C LEU A 80 -8.545 7.068 1.052 1.00 0.00 C ATOM 1137 O LEU A 80 -9.152 7.364 2.080 1.00 0.00 O ATOM 1138 CB LEU A 80 -7.921 4.631 1.540 1.00 0.00 C ATOM 1139 CG LEU A 80 -7.066 3.441 1.100 1.00 0.00 C ATOM 1140 CD1 LEU A 80 -5.764 3.376 1.901 1.00 0.00 C ATOM 1141 CD2 LEU A 80 -7.859 2.135 1.186 1.00 0.00 C ATOM 0 H LEU A 80 -6.372 6.129 2.878 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.102 5.875 0.052 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.974 4.632 2.629 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.936 4.480 1.172 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.793 3.583 0.054 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.175 2.521 1.569 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.195 4.292 1.745 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.994 3.268 2.961 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.228 1.305 0.868 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.182 1.972 2.214 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.733 2.196 0.537 1.00 0.00 H new ATOM 1153 N ILE A 81 -8.773 7.609 -0.136 1.00 0.00 N ATOM 1154 CA ILE A 81 -9.794 8.628 -0.311 1.00 0.00 C ATOM 1155 C ILE A 81 -11.014 8.009 -0.995 1.00 0.00 C ATOM 1156 O ILE A 81 -12.149 8.252 -0.587 1.00 0.00 O ATOM 1157 CB ILE A 81 -9.221 9.838 -1.051 1.00 0.00 C ATOM 1158 CG1 ILE A 81 -8.239 9.401 -2.140 1.00 0.00 C ATOM 1159 CG2 ILE A 81 -8.588 10.830 -0.073 1.00 0.00 C ATOM 1160 CD1 ILE A 81 -8.045 10.507 -3.180 1.00 0.00 C ATOM 0 H ILE A 81 -8.268 7.361 -0.987 1.00 0.00 H new ATOM 0 HA ILE A 81 -10.128 9.004 0.656 1.00 0.00 H new ATOM 0 HB ILE A 81 -10.043 10.355 -1.547 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -7.279 9.149 -1.689 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -8.609 8.499 -2.628 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -8.188 11.681 -0.625 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -9.343 11.177 0.632 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -7.781 10.340 0.471 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -7.342 10.170 -3.942 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -9.002 10.740 -3.646 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -7.652 11.399 -2.693 1.00 0.00 H new ATOM 1172 N ALA A 82 -10.739 7.222 -2.024 1.00 0.00 N ATOM 1173 CA ALA A 82 -11.801 6.566 -2.770 1.00 0.00 C ATOM 1174 C ALA A 82 -11.310 5.201 -3.255 1.00 0.00 C ATOM 1175 O ALA A 82 -10.194 5.082 -3.759 1.00 0.00 O ATOM 1176 CB ALA A 82 -12.248 7.468 -3.922 1.00 0.00 C ATOM 0 H ALA A 82 -9.796 7.023 -2.359 1.00 0.00 H new ATOM 0 HA ALA A 82 -12.669 6.396 -2.133 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -13.044 6.976 -4.481 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -12.616 8.413 -3.522 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -11.403 7.658 -4.584 1.00 0.00 H new ATOM 1182 N VAL A 83 -12.167 4.205 -3.086 1.00 0.00 N ATOM 1183 CA VAL A 83 -11.834 2.853 -3.501 1.00 0.00 C ATOM 1184 C VAL A 83 -12.860 2.373 -4.530 1.00 0.00 C ATOM 1185 O VAL A 83 -14.063 2.417 -4.279 1.00 0.00 O ATOM 1186 CB VAL A 83 -11.741 1.939 -2.277 1.00 0.00 C ATOM 1187 CG1 VAL A 83 -12.834 2.272 -1.260 1.00 0.00 C ATOM 1188 CG2 VAL A 83 -11.804 0.466 -2.688 1.00 0.00 C ATOM 0 H VAL A 83 -13.091 4.307 -2.667 1.00 0.00 H new ATOM 0 HA VAL A 83 -10.856 2.830 -3.982 1.00 0.00 H new ATOM 0 HB VAL A 83 -10.776 2.113 -1.800 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -12.745 1.608 -0.400 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -12.724 3.306 -0.933 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -13.813 2.140 -1.721 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -11.736 -0.163 -1.800 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -12.747 0.271 -3.199 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -10.974 0.239 -3.358 1.00 0.00 H new ATOM 1198 N ASN A 84 -12.345 1.925 -5.666 1.00 0.00 N ATOM 1199 CA ASN A 84 -13.201 1.437 -6.733 1.00 0.00 C ATOM 1200 C ASN A 84 -14.351 2.422 -6.950 1.00 0.00 C ATOM 1201 O ASN A 84 -15.452 2.024 -7.329 1.00 0.00 O ATOM 1202 CB ASN A 84 -13.805 0.077 -6.377 1.00 0.00 C ATOM 1203 CG ASN A 84 -14.742 0.191 -5.172 1.00 0.00 C ATOM 1204 OD1 ASN A 84 -15.843 0.709 -5.257 1.00 0.00 O ATOM 1205 ND2 ASN A 84 -14.243 -0.319 -4.050 1.00 0.00 N ATOM 0 H ASN A 84 -11.346 1.890 -5.870 1.00 0.00 H new ATOM 0 HA ASN A 84 -12.594 1.338 -7.633 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -14.354 -0.316 -7.233 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -13.007 -0.632 -6.156 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -14.790 -0.291 -3.190 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -13.313 -0.738 -4.050 1.00 0.00 H new ATOM 1212 N GLY A 85 -14.056 3.690 -6.702 1.00 0.00 N ATOM 1213 CA GLY A 85 -15.052 4.736 -6.865 1.00 0.00 C ATOM 1214 C GLY A 85 -15.740 5.050 -5.535 1.00 0.00 C ATOM 1215 O GLY A 85 -16.187 6.175 -5.314 1.00 0.00 O ATOM 0 H GLY A 85 -13.142 4.017 -6.389 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -14.578 5.637 -7.255 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -15.796 4.424 -7.598 1.00 0.00 H new ATOM 1219 N GLU A 86 -15.804 4.036 -4.685 1.00 0.00 N ATOM 1220 CA GLU A 86 -16.431 4.191 -3.383 1.00 0.00 C ATOM 1221 C GLU A 86 -15.768 5.330 -2.606 1.00 0.00 C ATOM 1222 O GLU A 86 -14.543 5.391 -2.512 1.00 0.00 O ATOM 1223 CB GLU A 86 -16.378 2.883 -2.590 1.00 0.00 C ATOM 1224 CG GLU A 86 -17.772 2.475 -2.111 1.00 0.00 C ATOM 1225 CD GLU A 86 -18.375 3.549 -1.202 1.00 0.00 C ATOM 1226 OE1 GLU A 86 -18.546 4.682 -1.700 1.00 0.00 O ATOM 1227 OE2 GLU A 86 -18.651 3.211 -0.031 1.00 0.00 O ATOM 0 H GLU A 86 -15.432 3.105 -4.872 1.00 0.00 H new ATOM 0 HA GLU A 86 -17.480 4.444 -3.535 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -15.958 2.093 -3.213 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -15.715 3.000 -1.733 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -18.423 2.313 -2.970 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -17.713 1.529 -1.573 1.00 0.00 H new ATOM 1234 N THR A 87 -16.606 6.204 -2.069 1.00 0.00 N ATOM 1235 CA THR A 87 -16.117 7.338 -1.304 1.00 0.00 C ATOM 1236 C THR A 87 -15.829 6.922 0.140 1.00 0.00 C ATOM 1237 O THR A 87 -16.657 6.276 0.780 1.00 0.00 O ATOM 1238 CB THR A 87 -17.145 8.465 -1.419 1.00 0.00 C ATOM 1239 OG1 THR A 87 -16.376 9.598 -1.815 1.00 0.00 O ATOM 1240 CG2 THR A 87 -17.728 8.867 -0.062 1.00 0.00 C ATOM 0 H THR A 87 -17.621 6.150 -2.149 1.00 0.00 H new ATOM 0 HA THR A 87 -15.169 7.703 -1.699 1.00 0.00 H new ATOM 0 HB THR A 87 -17.951 8.154 -2.083 1.00 0.00 H new ATOM 0 HG1 THR A 87 -16.965 10.375 -1.915 1.00 0.00 H new ATOM 0 HG21 THR A 87 -18.452 9.670 -0.200 1.00 0.00 H new ATOM 0 HG22 THR A 87 -18.222 8.007 0.391 1.00 0.00 H new ATOM 0 HG23 THR A 87 -16.926 9.210 0.591 1.00 0.00 H new ATOM 1248 N LEU A 88 -14.653 7.311 0.611 1.00 0.00 N ATOM 1249 CA LEU A 88 -14.246 6.987 1.968 1.00 0.00 C ATOM 1250 C LEU A 88 -14.205 8.268 2.803 1.00 0.00 C ATOM 1251 O LEU A 88 -14.322 8.219 4.026 1.00 0.00 O ATOM 1252 CB LEU A 88 -12.926 6.214 1.961 1.00 0.00 C ATOM 1253 CG LEU A 88 -12.883 4.967 1.076 1.00 0.00 C ATOM 1254 CD1 LEU A 88 -11.512 4.292 1.145 1.00 0.00 C ATOM 1255 CD2 LEU A 88 -14.015 4.002 1.433 1.00 0.00 C ATOM 0 H LEU A 88 -13.969 7.847 0.077 1.00 0.00 H new ATOM 0 HA LEU A 88 -14.974 6.324 2.436 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -12.134 6.890 1.640 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -12.697 5.917 2.984 1.00 0.00 H new ATOM 0 HG LEU A 88 -13.038 5.277 0.042 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -11.509 3.408 0.507 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -10.746 4.988 0.804 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -11.303 3.997 2.173 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -13.961 3.124 0.789 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -13.917 3.695 2.474 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -14.975 4.498 1.290 1.00 0.00 H new ATOM 1267 N LEU A 89 -14.038 9.384 2.109 1.00 0.00 N ATOM 1268 CA LEU A 89 -13.980 10.676 2.771 1.00 0.00 C ATOM 1269 C LEU A 89 -15.160 10.803 3.736 1.00 0.00 C ATOM 1270 O LEU A 89 -14.972 10.834 4.951 1.00 0.00 O ATOM 1271 CB LEU A 89 -13.904 11.804 1.740 1.00 0.00 C ATOM 1272 CG LEU A 89 -12.982 11.558 0.544 1.00 0.00 C ATOM 1273 CD1 LEU A 89 -12.724 12.855 -0.225 1.00 0.00 C ATOM 1274 CD2 LEU A 89 -11.681 10.883 0.983 1.00 0.00 C ATOM 0 H LEU A 89 -13.941 9.420 1.094 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.071 10.758 3.366 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -14.909 11.995 1.365 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -13.575 12.711 2.247 1.00 0.00 H new ATOM 0 HG LEU A 89 -13.485 10.873 -0.139 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -12.066 12.652 -1.070 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -13.670 13.256 -0.590 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -12.252 13.582 0.436 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -11.044 10.720 0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -11.163 11.522 1.698 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.908 9.925 1.451 1.00 0.00 H new ATOM 1286 N GLY A 90 -16.350 10.874 3.158 1.00 0.00 N ATOM 1287 CA GLY A 90 -17.561 10.997 3.952 1.00 0.00 C ATOM 1288 C GLY A 90 -17.611 9.929 5.046 1.00 0.00 C ATOM 1289 O GLY A 90 -18.153 10.165 6.125 1.00 0.00 O ATOM 0 H GLY A 90 -16.502 10.849 2.150 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -17.604 11.988 4.404 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -18.434 10.903 3.307 1.00 0.00 H new ATOM 1293 N LYS A 91 -17.037 8.777 4.731 1.00 0.00 N ATOM 1294 CA LYS A 91 -17.009 7.672 5.674 1.00 0.00 C ATOM 1295 C LYS A 91 -15.886 7.901 6.688 1.00 0.00 C ATOM 1296 O LYS A 91 -15.169 8.898 6.611 1.00 0.00 O ATOM 1297 CB LYS A 91 -16.904 6.338 4.932 1.00 0.00 C ATOM 1298 CG LYS A 91 -17.512 6.439 3.532 1.00 0.00 C ATOM 1299 CD LYS A 91 -17.798 5.051 2.956 1.00 0.00 C ATOM 1300 CE LYS A 91 -19.024 5.079 2.041 1.00 0.00 C ATOM 1301 NZ LYS A 91 -19.835 3.854 2.224 1.00 0.00 N ATOM 0 H LYS A 91 -16.588 8.585 3.836 1.00 0.00 H new ATOM 0 HA LYS A 91 -17.942 7.626 6.236 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -15.858 6.041 4.857 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -17.416 5.561 5.499 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -18.436 7.016 3.574 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -16.830 6.976 2.873 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -16.931 4.699 2.397 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -17.962 4.343 3.768 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -19.629 5.959 2.260 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -18.707 5.161 1.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -20.839 4.077 2.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -19.532 3.132 1.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -19.704 3.492 3.190 1.00 0.00 H new ATOM 1315 N SER A 92 -15.769 6.962 7.616 1.00 0.00 N ATOM 1316 CA SER A 92 -14.747 7.049 8.644 1.00 0.00 C ATOM 1317 C SER A 92 -13.788 5.862 8.531 1.00 0.00 C ATOM 1318 O SER A 92 -13.922 5.036 7.629 1.00 0.00 O ATOM 1319 CB SER A 92 -15.372 7.096 10.040 1.00 0.00 C ATOM 1320 OG SER A 92 -16.285 8.181 10.180 1.00 0.00 O ATOM 0 H SER A 92 -16.366 6.137 7.677 1.00 0.00 H new ATOM 0 HA SER A 92 -14.189 7.974 8.494 1.00 0.00 H new ATOM 0 HB2 SER A 92 -15.891 6.158 10.237 1.00 0.00 H new ATOM 0 HB3 SER A 92 -14.584 7.187 10.787 1.00 0.00 H new ATOM 0 HG SER A 92 -15.800 8.981 10.473 1.00 0.00 H new ATOM 1326 N ASN A 93 -12.843 5.815 9.458 1.00 0.00 N ATOM 1327 CA ASN A 93 -11.863 4.743 9.474 1.00 0.00 C ATOM 1328 C ASN A 93 -12.587 3.395 9.473 1.00 0.00 C ATOM 1329 O ASN A 93 -12.260 2.511 8.683 1.00 0.00 O ATOM 1330 CB ASN A 93 -10.992 4.811 10.730 1.00 0.00 C ATOM 1331 CG ASN A 93 -9.926 5.900 10.600 1.00 0.00 C ATOM 1332 OD1 ASN A 93 -9.898 6.668 9.653 1.00 0.00 O ATOM 1333 ND2 ASN A 93 -9.051 5.923 11.602 1.00 0.00 N ATOM 0 H ASN A 93 -12.735 6.502 10.204 1.00 0.00 H new ATOM 0 HA ASN A 93 -11.232 4.850 8.592 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -11.617 5.011 11.600 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -10.513 3.846 10.897 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -8.300 6.613 11.607 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -9.132 5.251 12.365 1.00 0.00 H new ATOM 1340 N HIS A 94 -13.559 3.281 10.367 1.00 0.00 N ATOM 1341 CA HIS A 94 -14.332 2.056 10.479 1.00 0.00 C ATOM 1342 C HIS A 94 -15.068 1.792 9.164 1.00 0.00 C ATOM 1343 O HIS A 94 -14.689 0.902 8.404 1.00 0.00 O ATOM 1344 CB HIS A 94 -15.273 2.116 11.684 1.00 0.00 C ATOM 1345 CG HIS A 94 -16.198 0.928 11.801 1.00 0.00 C ATOM 1346 ND1 HIS A 94 -15.783 -0.299 12.289 1.00 0.00 N ATOM 1347 CD2 HIS A 94 -17.519 0.792 11.490 1.00 0.00 C ATOM 1348 CE1 HIS A 94 -16.816 -1.128 12.267 1.00 0.00 C ATOM 1349 NE2 HIS A 94 -17.891 -0.450 11.771 1.00 0.00 N ATOM 0 H HIS A 94 -13.828 4.017 11.020 1.00 0.00 H new ATOM 0 HA HIS A 94 -13.663 1.214 10.656 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -14.677 2.191 12.594 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -15.872 3.025 11.620 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -18.155 1.565 11.084 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -16.809 -2.160 12.586 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -18.826 -0.835 11.638 1.00 0.00 H new ATOM 1357 N GLU A 95 -16.108 2.581 8.937 1.00 0.00 N ATOM 1358 CA GLU A 95 -16.901 2.443 7.727 1.00 0.00 C ATOM 1359 C GLU A 95 -15.992 2.190 6.522 1.00 0.00 C ATOM 1360 O GLU A 95 -16.082 1.143 5.882 1.00 0.00 O ATOM 1361 CB GLU A 95 -17.777 3.677 7.502 1.00 0.00 C ATOM 1362 CG GLU A 95 -18.469 4.102 8.799 1.00 0.00 C ATOM 1363 CD GLU A 95 -19.837 4.723 8.513 1.00 0.00 C ATOM 1364 OE1 GLU A 95 -20.543 4.166 7.644 1.00 0.00 O ATOM 1365 OE2 GLU A 95 -20.147 5.741 9.170 1.00 0.00 O ATOM 0 H GLU A 95 -16.420 3.318 9.570 1.00 0.00 H new ATOM 0 HA GLU A 95 -17.562 1.585 7.846 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -17.166 4.498 7.126 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -18.526 3.462 6.740 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -18.588 3.237 9.452 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -17.844 4.820 9.330 1.00 0.00 H new ATOM 1372 N ALA A 96 -15.138 3.166 6.250 1.00 0.00 N ATOM 1373 CA ALA A 96 -14.214 3.061 5.134 1.00 0.00 C ATOM 1374 C ALA A 96 -13.700 1.624 5.036 1.00 0.00 C ATOM 1375 O ALA A 96 -14.052 0.897 4.108 1.00 0.00 O ATOM 1376 CB ALA A 96 -13.081 4.074 5.312 1.00 0.00 C ATOM 0 H ALA A 96 -15.067 4.033 6.783 1.00 0.00 H new ATOM 0 HA ALA A 96 -14.717 3.296 4.196 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -12.388 3.995 4.475 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -13.496 5.081 5.346 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -12.551 3.868 6.242 1.00 0.00 H new ATOM 1382 N MET A 97 -12.876 1.256 6.006 1.00 0.00 N ATOM 1383 CA MET A 97 -12.310 -0.082 6.040 1.00 0.00 C ATOM 1384 C MET A 97 -13.394 -1.141 5.830 1.00 0.00 C ATOM 1385 O MET A 97 -13.149 -2.168 5.198 1.00 0.00 O ATOM 1386 CB MET A 97 -11.625 -0.312 7.388 1.00 0.00 C ATOM 1387 CG MET A 97 -10.233 0.322 7.412 1.00 0.00 C ATOM 1388 SD MET A 97 -9.097 -0.663 6.449 1.00 0.00 S ATOM 1389 CE MET A 97 -7.586 0.247 6.725 1.00 0.00 C ATOM 0 H MET A 97 -12.587 1.861 6.774 1.00 0.00 H new ATOM 0 HA MET A 97 -11.582 -0.169 5.233 1.00 0.00 H new ATOM 0 HB2 MET A 97 -12.235 0.111 8.186 1.00 0.00 H new ATOM 0 HB3 MET A 97 -11.544 -1.382 7.581 1.00 0.00 H new ATOM 0 HG2 MET A 97 -10.279 1.335 7.012 1.00 0.00 H new ATOM 0 HG3 MET A 97 -9.878 0.401 8.440 1.00 0.00 H new ATOM 0 HE1 MET A 97 -7.148 0.524 5.766 1.00 0.00 H new ATOM 0 HE2 MET A 97 -7.804 1.148 7.298 1.00 0.00 H new ATOM 0 HE3 MET A 97 -6.883 -0.375 7.280 1.00 0.00 H new ATOM 1399 N GLU A 98 -14.569 -0.855 6.372 1.00 0.00 N ATOM 1400 CA GLU A 98 -15.691 -1.771 6.252 1.00 0.00 C ATOM 1401 C GLU A 98 -16.171 -1.834 4.801 1.00 0.00 C ATOM 1402 O GLU A 98 -16.666 -2.867 4.352 1.00 0.00 O ATOM 1403 CB GLU A 98 -16.830 -1.367 7.190 1.00 0.00 C ATOM 1404 CG GLU A 98 -18.063 -0.927 6.397 1.00 0.00 C ATOM 1405 CD GLU A 98 -18.784 -2.133 5.792 1.00 0.00 C ATOM 1406 OE1 GLU A 98 -18.675 -3.222 6.396 1.00 0.00 O ATOM 1407 OE2 GLU A 98 -19.429 -1.938 4.739 1.00 0.00 O ATOM 0 H GLU A 98 -14.768 -0.002 6.895 1.00 0.00 H new ATOM 0 HA GLU A 98 -15.357 -2.766 6.547 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -17.089 -2.206 7.836 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -16.501 -0.555 7.838 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -18.744 -0.381 7.050 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -17.764 -0.242 5.604 1.00 0.00 H new ATOM 1414 N THR A 99 -16.009 -0.716 4.108 1.00 0.00 N ATOM 1415 CA THR A 99 -16.420 -0.632 2.717 1.00 0.00 C ATOM 1416 C THR A 99 -15.461 -1.426 1.828 1.00 0.00 C ATOM 1417 O THR A 99 -15.891 -2.114 0.904 1.00 0.00 O ATOM 1418 CB THR A 99 -16.513 0.848 2.341 1.00 0.00 C ATOM 1419 OG1 THR A 99 -17.754 1.271 2.900 1.00 0.00 O ATOM 1420 CG2 THR A 99 -16.692 1.059 0.836 1.00 0.00 C ATOM 0 H THR A 99 -15.599 0.139 4.484 1.00 0.00 H new ATOM 0 HA THR A 99 -17.401 -1.083 2.566 1.00 0.00 H new ATOM 0 HB THR A 99 -15.614 1.365 2.676 1.00 0.00 H new ATOM 0 HG1 THR A 99 -17.698 2.219 3.141 1.00 0.00 H new ATOM 0 HG21 THR A 99 -16.752 2.126 0.623 1.00 0.00 H new ATOM 0 HG22 THR A 99 -15.842 0.630 0.305 1.00 0.00 H new ATOM 0 HG23 THR A 99 -17.609 0.571 0.507 1.00 0.00 H new ATOM 1428 N LEU A 100 -14.179 -1.304 2.139 1.00 0.00 N ATOM 1429 CA LEU A 100 -13.155 -2.002 1.381 1.00 0.00 C ATOM 1430 C LEU A 100 -13.529 -3.481 1.268 1.00 0.00 C ATOM 1431 O LEU A 100 -13.938 -3.942 0.203 1.00 0.00 O ATOM 1432 CB LEU A 100 -11.775 -1.761 1.996 1.00 0.00 C ATOM 1433 CG LEU A 100 -10.577 -2.042 1.086 1.00 0.00 C ATOM 1434 CD1 LEU A 100 -10.339 -0.880 0.120 1.00 0.00 C ATOM 1435 CD2 LEU A 100 -9.328 -2.368 1.909 1.00 0.00 C ATOM 0 H LEU A 100 -13.826 -0.732 2.906 1.00 0.00 H new ATOM 0 HA LEU A 100 -13.098 -1.609 0.366 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -11.721 -0.723 2.324 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -11.683 -2.382 2.887 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.804 -2.921 0.483 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.482 -1.105 -0.515 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -11.223 -0.736 -0.501 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -10.142 0.030 0.687 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.491 -2.564 1.238 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -9.086 -1.523 2.554 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -9.516 -3.250 2.522 1.00 0.00 H new ATOM 1447 N ARG A 101 -13.375 -4.184 2.380 1.00 0.00 N ATOM 1448 CA ARG A 101 -13.691 -5.601 2.419 1.00 0.00 C ATOM 1449 C ARG A 101 -14.995 -5.875 1.667 1.00 0.00 C ATOM 1450 O ARG A 101 -15.124 -6.896 0.992 1.00 0.00 O ATOM 1451 CB ARG A 101 -13.829 -6.095 3.861 1.00 0.00 C ATOM 1452 CG ARG A 101 -15.182 -5.692 4.452 1.00 0.00 C ATOM 1453 CD ARG A 101 -15.189 -5.862 5.972 1.00 0.00 C ATOM 1454 NE ARG A 101 -16.552 -5.633 6.501 1.00 0.00 N ATOM 1455 CZ ARG A 101 -16.887 -5.755 7.792 1.00 0.00 C ATOM 1456 NH1 ARG A 101 -15.961 -6.105 8.695 1.00 0.00 N ATOM 1457 NH2 ARG A 101 -18.149 -5.526 8.182 1.00 0.00 N ATOM 0 H ARG A 101 -13.035 -3.798 3.261 1.00 0.00 H new ATOM 0 HA ARG A 101 -12.872 -6.137 1.940 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -13.724 -7.180 3.889 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -13.025 -5.681 4.469 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -15.399 -4.655 4.198 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -15.971 -6.301 4.011 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -14.851 -6.864 6.236 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -14.490 -5.160 6.428 1.00 0.00 H new ATOM 0 HE ARG A 101 -17.282 -5.365 5.841 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -15.000 -6.279 8.399 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -16.217 -6.198 9.678 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -18.854 -5.259 7.495 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -18.404 -5.619 9.165 1.00 0.00 H new ATOM 1471 N ARG A 102 -15.929 -4.946 1.808 1.00 0.00 N ATOM 1472 CA ARG A 102 -17.218 -5.075 1.150 1.00 0.00 C ATOM 1473 C ARG A 102 -17.041 -5.068 -0.370 1.00 0.00 C ATOM 1474 O ARG A 102 -17.390 -6.037 -1.043 1.00 0.00 O ATOM 1475 CB ARG A 102 -18.158 -3.936 1.552 1.00 0.00 C ATOM 1476 CG ARG A 102 -19.618 -4.390 1.513 1.00 0.00 C ATOM 1477 CD ARG A 102 -20.460 -3.619 2.531 1.00 0.00 C ATOM 1478 NE ARG A 102 -21.837 -3.440 2.018 1.00 0.00 N ATOM 1479 CZ ARG A 102 -22.779 -4.393 2.048 1.00 0.00 C ATOM 1480 NH1 ARG A 102 -22.499 -5.596 2.567 1.00 0.00 N ATOM 1481 NH2 ARG A 102 -24.001 -4.142 1.560 1.00 0.00 N ATOM 0 H ARG A 102 -15.819 -4.101 2.368 1.00 0.00 H new ATOM 0 HA ARG A 102 -17.657 -6.022 1.464 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -17.908 -3.590 2.555 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -18.018 -3.090 0.879 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -20.023 -4.239 0.512 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -19.676 -5.458 1.722 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -20.483 -4.158 3.478 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -20.007 -2.647 2.728 1.00 0.00 H new ATOM 0 HE ARG A 102 -22.084 -2.535 1.617 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -21.569 -5.787 2.939 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -23.216 -6.321 2.590 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -24.214 -3.226 1.166 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -24.718 -4.867 1.583 1.00 0.00 H new ATOM 1495 N SER A 103 -16.499 -3.966 -0.866 1.00 0.00 N ATOM 1496 CA SER A 103 -16.271 -3.821 -2.294 1.00 0.00 C ATOM 1497 C SER A 103 -15.353 -4.938 -2.793 1.00 0.00 C ATOM 1498 O SER A 103 -15.517 -5.429 -3.909 1.00 0.00 O ATOM 1499 CB SER A 103 -15.669 -2.453 -2.619 1.00 0.00 C ATOM 1500 OG SER A 103 -16.041 -1.464 -1.662 1.00 0.00 O ATOM 0 H SER A 103 -16.211 -3.165 -0.305 1.00 0.00 H new ATOM 0 HA SER A 103 -17.232 -3.895 -2.804 1.00 0.00 H new ATOM 0 HB2 SER A 103 -14.583 -2.534 -2.653 1.00 0.00 H new ATOM 0 HB3 SER A 103 -15.996 -2.139 -3.610 1.00 0.00 H new ATOM 0 HG SER A 103 -15.591 -1.647 -0.811 1.00 0.00 H new ATOM 1506 N MET A 104 -14.405 -5.306 -1.943 1.00 0.00 N ATOM 1507 CA MET A 104 -13.461 -6.356 -2.285 1.00 0.00 C ATOM 1508 C MET A 104 -14.188 -7.652 -2.645 1.00 0.00 C ATOM 1509 O MET A 104 -13.714 -8.424 -3.478 1.00 0.00 O ATOM 1510 CB MET A 104 -12.527 -6.607 -1.099 1.00 0.00 C ATOM 1511 CG MET A 104 -11.435 -5.538 -1.024 1.00 0.00 C ATOM 1512 SD MET A 104 -10.709 -5.519 0.606 1.00 0.00 S ATOM 1513 CE MET A 104 -10.335 -7.254 0.799 1.00 0.00 C ATOM 0 H MET A 104 -14.271 -4.896 -1.019 1.00 0.00 H new ATOM 0 HA MET A 104 -12.885 -6.033 -3.152 1.00 0.00 H new ATOM 0 HB2 MET A 104 -13.102 -6.610 -0.173 1.00 0.00 H new ATOM 0 HB3 MET A 104 -12.070 -7.592 -1.194 1.00 0.00 H new ATOM 0 HG2 MET A 104 -10.667 -5.738 -1.771 1.00 0.00 H new ATOM 0 HG3 MET A 104 -11.856 -4.560 -1.255 1.00 0.00 H new ATOM 0 HE1 MET A 104 -9.392 -7.366 1.334 1.00 0.00 H new ATOM 0 HE2 MET A 104 -11.132 -7.737 1.364 1.00 0.00 H new ATOM 0 HE3 MET A 104 -10.252 -7.720 -0.183 1.00 0.00 H new ATOM 1523 N SER A 105 -15.329 -7.852 -2.001 1.00 0.00 N ATOM 1524 CA SER A 105 -16.127 -9.042 -2.244 1.00 0.00 C ATOM 1525 C SER A 105 -17.236 -8.732 -3.251 1.00 0.00 C ATOM 1526 O SER A 105 -17.716 -9.626 -3.946 1.00 0.00 O ATOM 1527 CB SER A 105 -16.726 -9.579 -0.942 1.00 0.00 C ATOM 1528 OG SER A 105 -16.097 -10.787 -0.524 1.00 0.00 O ATOM 0 H SER A 105 -15.720 -7.210 -1.311 1.00 0.00 H new ATOM 0 HA SER A 105 -15.476 -9.812 -2.657 1.00 0.00 H new ATOM 0 HB2 SER A 105 -16.624 -8.828 -0.159 1.00 0.00 H new ATOM 0 HB3 SER A 105 -17.793 -9.754 -1.079 1.00 0.00 H new ATOM 0 HG SER A 105 -16.506 -11.097 0.311 1.00 0.00 H new ATOM 1534 N MET A 106 -17.612 -7.462 -3.296 1.00 0.00 N ATOM 1535 CA MET A 106 -18.656 -7.023 -4.206 1.00 0.00 C ATOM 1536 C MET A 106 -18.076 -6.672 -5.578 1.00 0.00 C ATOM 1537 O MET A 106 -18.358 -7.348 -6.566 1.00 0.00 O ATOM 1538 CB MET A 106 -19.361 -5.797 -3.621 1.00 0.00 C ATOM 1539 CG MET A 106 -20.863 -6.045 -3.477 1.00 0.00 C ATOM 1540 SD MET A 106 -21.713 -5.527 -4.959 1.00 0.00 S ATOM 1541 CE MET A 106 -21.944 -7.108 -5.753 1.00 0.00 C ATOM 0 H MET A 106 -17.212 -6.723 -2.717 1.00 0.00 H new ATOM 0 HA MET A 106 -19.369 -7.838 -4.331 1.00 0.00 H new ATOM 0 HB2 MET A 106 -18.933 -5.557 -2.647 1.00 0.00 H new ATOM 0 HB3 MET A 106 -19.191 -4.934 -4.265 1.00 0.00 H new ATOM 0 HG2 MET A 106 -21.049 -7.103 -3.292 1.00 0.00 H new ATOM 0 HG3 MET A 106 -21.249 -5.498 -2.617 1.00 0.00 H new ATOM 0 HE1 MET A 106 -22.614 -6.993 -6.605 1.00 0.00 H new ATOM 0 HE2 MET A 106 -20.981 -7.487 -6.097 1.00 0.00 H new ATOM 0 HE3 MET A 106 -22.378 -7.812 -5.043 1.00 0.00 H new ATOM 1551 N GLU A 107 -17.277 -5.615 -5.595 1.00 0.00 N ATOM 1552 CA GLU A 107 -16.655 -5.167 -6.829 1.00 0.00 C ATOM 1553 C GLU A 107 -15.880 -6.314 -7.480 1.00 0.00 C ATOM 1554 O GLU A 107 -15.559 -6.256 -8.666 1.00 0.00 O ATOM 1555 CB GLU A 107 -15.744 -3.963 -6.578 1.00 0.00 C ATOM 1556 CG GLU A 107 -16.526 -2.653 -6.683 1.00 0.00 C ATOM 1557 CD GLU A 107 -16.744 -2.260 -8.146 1.00 0.00 C ATOM 1558 OE1 GLU A 107 -15.742 -1.876 -8.786 1.00 0.00 O ATOM 1559 OE2 GLU A 107 -17.909 -2.354 -8.591 1.00 0.00 O ATOM 0 H GLU A 107 -17.046 -5.056 -4.774 1.00 0.00 H new ATOM 0 HA GLU A 107 -17.441 -4.850 -7.515 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -15.293 -4.043 -5.589 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -14.928 -3.963 -7.301 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -17.489 -2.759 -6.184 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -15.985 -1.860 -6.166 1.00 0.00 H new ATOM 1566 N GLY A 108 -15.603 -7.330 -6.676 1.00 0.00 N ATOM 1567 CA GLY A 108 -14.872 -8.489 -7.160 1.00 0.00 C ATOM 1568 C GLY A 108 -15.831 -9.588 -7.622 1.00 0.00 C ATOM 1569 O GLY A 108 -15.402 -10.594 -8.186 1.00 0.00 O ATOM 0 H GLY A 108 -15.871 -7.375 -5.693 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -14.224 -8.196 -7.986 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -14.227 -8.873 -6.370 1.00 0.00 H new ATOM 1573 N ASN A 109 -17.110 -9.359 -7.367 1.00 0.00 N ATOM 1574 CA ASN A 109 -18.134 -10.317 -7.750 1.00 0.00 C ATOM 1575 C ASN A 109 -18.682 -9.947 -9.129 1.00 0.00 C ATOM 1576 O ASN A 109 -18.632 -10.753 -10.057 1.00 0.00 O ATOM 1577 CB ASN A 109 -19.299 -10.304 -6.759 1.00 0.00 C ATOM 1578 CG ASN A 109 -19.250 -11.524 -5.838 1.00 0.00 C ATOM 1579 OD1 ASN A 109 -18.891 -12.621 -6.236 1.00 0.00 O ATOM 1580 ND2 ASN A 109 -19.629 -11.274 -4.588 1.00 0.00 N ATOM 0 H ASN A 109 -17.462 -8.523 -6.899 1.00 0.00 H new ATOM 0 HA ASN A 109 -17.681 -11.308 -7.761 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -19.263 -9.392 -6.163 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -20.243 -10.292 -7.303 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -19.631 -12.023 -3.896 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -19.918 -10.333 -4.321 1.00 0.00 H new ATOM 1587 N ILE A 110 -19.191 -8.728 -9.221 1.00 0.00 N ATOM 1588 CA ILE A 110 -19.748 -8.241 -10.472 1.00 0.00 C ATOM 1589 C ILE A 110 -18.608 -7.856 -11.417 1.00 0.00 C ATOM 1590 O ILE A 110 -18.679 -8.113 -12.617 1.00 0.00 O ATOM 1591 CB ILE A 110 -20.741 -7.106 -10.211 1.00 0.00 C ATOM 1592 CG1 ILE A 110 -20.010 -5.799 -9.900 1.00 0.00 C ATOM 1593 CG2 ILE A 110 -21.730 -7.486 -9.107 1.00 0.00 C ATOM 1594 CD1 ILE A 110 -19.488 -5.790 -8.462 1.00 0.00 C ATOM 0 H ILE A 110 -19.230 -8.062 -8.449 1.00 0.00 H new ATOM 0 HA ILE A 110 -20.320 -9.026 -10.966 1.00 0.00 H new ATOM 0 HB ILE A 110 -21.320 -6.943 -11.120 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -19.179 -5.670 -10.593 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -20.685 -4.956 -10.051 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -22.424 -6.662 -8.941 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -22.286 -8.375 -9.406 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -21.185 -7.692 -8.186 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -18.973 -4.849 -8.268 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -20.324 -5.895 -7.771 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -18.795 -6.619 -8.321 1.00 0.00 H new ATOM 1606 N ARG A 111 -17.584 -7.245 -10.839 1.00 0.00 N ATOM 1607 CA ARG A 111 -16.431 -6.821 -11.615 1.00 0.00 C ATOM 1608 C ARG A 111 -15.330 -7.882 -11.551 1.00 0.00 C ATOM 1609 O ARG A 111 -15.079 -8.580 -12.532 1.00 0.00 O ATOM 1610 CB ARG A 111 -15.878 -5.491 -11.099 1.00 0.00 C ATOM 1611 CG ARG A 111 -15.768 -4.467 -12.231 1.00 0.00 C ATOM 1612 CD ARG A 111 -16.738 -3.304 -12.014 1.00 0.00 C ATOM 1613 NE ARG A 111 -15.986 -2.038 -11.868 1.00 0.00 N ATOM 1614 CZ ARG A 111 -16.546 -0.822 -11.912 1.00 0.00 C ATOM 1615 NH1 ARG A 111 -17.867 -0.699 -12.097 1.00 0.00 N ATOM 1616 NH2 ARG A 111 -15.785 0.272 -11.771 1.00 0.00 N ATOM 0 H ARG A 111 -17.529 -7.034 -9.843 1.00 0.00 H new ATOM 0 HA ARG A 111 -16.756 -6.690 -12.647 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -16.528 -5.103 -10.314 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -14.897 -5.650 -10.651 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -14.747 -4.089 -12.286 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -15.981 -4.950 -13.185 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -17.427 -3.232 -12.856 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -17.340 -3.483 -11.124 1.00 0.00 H new ATOM 0 HE ARG A 111 -14.978 -2.095 -11.725 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -18.447 -1.531 -12.204 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -18.293 0.227 -12.130 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -14.779 0.179 -11.630 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -16.212 1.198 -11.805 1.00 0.00 H new ATOM 1630 N GLY A 112 -14.703 -7.969 -10.387 1.00 0.00 N ATOM 1631 CA GLY A 112 -13.635 -8.933 -10.183 1.00 0.00 C ATOM 1632 C GLY A 112 -12.312 -8.228 -9.878 1.00 0.00 C ATOM 1633 O GLY A 112 -11.242 -8.812 -10.040 1.00 0.00 O ATOM 0 H GLY A 112 -14.914 -7.388 -9.576 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -13.894 -9.600 -9.361 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -13.524 -9.553 -11.073 1.00 0.00 H new ATOM 1637 N MET A 113 -12.428 -6.983 -9.441 1.00 0.00 N ATOM 1638 CA MET A 113 -11.255 -6.193 -9.111 1.00 0.00 C ATOM 1639 C MET A 113 -11.618 -5.030 -8.185 1.00 0.00 C ATOM 1640 O MET A 113 -12.783 -4.855 -7.831 1.00 0.00 O ATOM 1641 CB MET A 113 -10.630 -5.645 -10.396 1.00 0.00 C ATOM 1642 CG MET A 113 -11.534 -4.591 -11.039 1.00 0.00 C ATOM 1643 SD MET A 113 -11.804 -4.985 -12.759 1.00 0.00 S ATOM 1644 CE MET A 113 -10.184 -4.629 -13.417 1.00 0.00 C ATOM 0 H MET A 113 -13.317 -6.502 -9.308 1.00 0.00 H new ATOM 0 HA MET A 113 -10.542 -6.836 -8.594 1.00 0.00 H new ATOM 0 HB2 MET A 113 -9.657 -5.208 -10.173 1.00 0.00 H new ATOM 0 HB3 MET A 113 -10.460 -6.461 -11.099 1.00 0.00 H new ATOM 0 HG2 MET A 113 -12.488 -4.548 -10.513 1.00 0.00 H new ATOM 0 HG3 MET A 113 -11.077 -3.605 -10.951 1.00 0.00 H new ATOM 0 HE1 MET A 113 -10.191 -4.772 -14.498 1.00 0.00 H new ATOM 0 HE2 MET A 113 -9.917 -3.597 -13.189 1.00 0.00 H new ATOM 0 HE3 MET A 113 -9.453 -5.301 -12.967 1.00 0.00 H new ATOM 1654 N ILE A 114 -10.600 -4.266 -7.819 1.00 0.00 N ATOM 1655 CA ILE A 114 -10.797 -3.126 -6.941 1.00 0.00 C ATOM 1656 C ILE A 114 -9.685 -2.103 -7.182 1.00 0.00 C ATOM 1657 O ILE A 114 -8.526 -2.473 -7.362 1.00 0.00 O ATOM 1658 CB ILE A 114 -10.908 -3.583 -5.485 1.00 0.00 C ATOM 1659 CG1 ILE A 114 -11.511 -2.483 -4.609 1.00 0.00 C ATOM 1660 CG2 ILE A 114 -9.553 -4.059 -4.956 1.00 0.00 C ATOM 1661 CD1 ILE A 114 -11.685 -2.965 -3.167 1.00 0.00 C ATOM 0 H ILE A 114 -9.635 -4.414 -8.115 1.00 0.00 H new ATOM 0 HA ILE A 114 -11.741 -2.630 -7.167 1.00 0.00 H new ATOM 0 HB ILE A 114 -11.587 -4.434 -5.445 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -10.866 -1.604 -4.627 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -12.476 -2.179 -5.014 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -9.659 -4.378 -3.919 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -9.200 -4.896 -5.559 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -8.833 -3.242 -5.012 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -12.115 -2.164 -2.565 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -12.349 -3.829 -3.150 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -10.715 -3.245 -2.757 1.00 0.00 H new ATOM 1673 N GLN A 115 -10.077 -0.838 -7.176 1.00 0.00 N ATOM 1674 CA GLN A 115 -9.128 0.241 -7.392 1.00 0.00 C ATOM 1675 C GLN A 115 -8.826 0.954 -6.072 1.00 0.00 C ATOM 1676 O GLN A 115 -9.597 0.855 -5.119 1.00 0.00 O ATOM 1677 CB GLN A 115 -9.646 1.226 -8.442 1.00 0.00 C ATOM 1678 CG GLN A 115 -8.731 2.448 -8.546 1.00 0.00 C ATOM 1679 CD GLN A 115 -9.113 3.319 -9.744 1.00 0.00 C ATOM 1680 OE1 GLN A 115 -8.996 2.925 -10.893 1.00 0.00 O ATOM 1681 NE2 GLN A 115 -9.576 4.521 -9.414 1.00 0.00 N ATOM 0 H GLN A 115 -11.039 -0.536 -7.025 1.00 0.00 H new ATOM 0 HA GLN A 115 -8.200 -0.188 -7.771 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -9.709 0.731 -9.411 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -10.655 1.544 -8.181 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -8.797 3.035 -7.630 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -7.695 2.124 -8.643 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -9.648 4.788 -8.432 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -9.859 5.176 -10.143 1.00 0.00 H new ATOM 1690 N LEU A 116 -7.703 1.658 -6.060 1.00 0.00 N ATOM 1691 CA LEU A 116 -7.291 2.387 -4.873 1.00 0.00 C ATOM 1692 C LEU A 116 -6.859 3.800 -5.272 1.00 0.00 C ATOM 1693 O LEU A 116 -5.941 3.969 -6.074 1.00 0.00 O ATOM 1694 CB LEU A 116 -6.216 1.608 -4.112 1.00 0.00 C ATOM 1695 CG LEU A 116 -6.589 0.184 -3.695 1.00 0.00 C ATOM 1696 CD1 LEU A 116 -5.348 -0.607 -3.276 1.00 0.00 C ATOM 1697 CD2 LEU A 116 -7.658 0.195 -2.601 1.00 0.00 C ATOM 0 H LEU A 116 -7.067 1.739 -6.853 1.00 0.00 H new ATOM 0 HA LEU A 116 -8.127 2.492 -4.181 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -5.321 1.561 -4.733 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -5.953 2.171 -3.216 1.00 0.00 H new ATOM 0 HG LEU A 116 -7.018 -0.324 -4.559 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -5.641 -1.616 -2.984 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -4.650 -0.659 -4.112 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -4.868 -0.111 -2.433 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -7.905 -0.830 -2.323 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -7.280 0.727 -1.728 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -8.552 0.696 -2.971 1.00 0.00 H new ATOM 1709 N VAL A 117 -7.542 4.778 -4.695 1.00 0.00 N ATOM 1710 CA VAL A 117 -7.240 6.170 -4.981 1.00 0.00 C ATOM 1711 C VAL A 117 -6.480 6.776 -3.800 1.00 0.00 C ATOM 1712 O VAL A 117 -7.012 6.865 -2.694 1.00 0.00 O ATOM 1713 CB VAL A 117 -8.528 6.927 -5.314 1.00 0.00 C ATOM 1714 CG1 VAL A 117 -8.225 8.364 -5.741 1.00 0.00 C ATOM 1715 CG2 VAL A 117 -9.332 6.193 -6.390 1.00 0.00 C ATOM 0 H VAL A 117 -8.303 4.634 -4.031 1.00 0.00 H new ATOM 0 HA VAL A 117 -6.596 6.249 -5.857 1.00 0.00 H new ATOM 0 HB VAL A 117 -9.136 6.968 -4.410 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -9.157 8.879 -5.972 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -7.714 8.884 -4.931 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -7.587 8.354 -6.625 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -10.242 6.751 -6.608 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -8.733 6.107 -7.296 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -9.594 5.197 -6.032 1.00 0.00 H new ATOM 1725 N ILE A 118 -5.247 7.178 -4.074 1.00 0.00 N ATOM 1726 CA ILE A 118 -4.409 7.773 -3.047 1.00 0.00 C ATOM 1727 C ILE A 118 -4.288 9.277 -3.301 1.00 0.00 C ATOM 1728 O ILE A 118 -4.456 9.734 -4.430 1.00 0.00 O ATOM 1729 CB ILE A 118 -3.061 7.052 -2.972 1.00 0.00 C ATOM 1730 CG1 ILE A 118 -2.129 7.514 -4.094 1.00 0.00 C ATOM 1731 CG2 ILE A 118 -3.250 5.534 -2.973 1.00 0.00 C ATOM 1732 CD1 ILE A 118 -1.161 8.588 -3.595 1.00 0.00 C ATOM 0 H ILE A 118 -4.809 7.103 -4.992 1.00 0.00 H new ATOM 0 HA ILE A 118 -4.866 7.651 -2.065 1.00 0.00 H new ATOM 0 HB ILE A 118 -2.585 7.316 -2.028 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -1.567 6.663 -4.478 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -2.718 7.907 -4.922 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -2.277 5.046 -2.919 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -3.851 5.242 -2.112 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -3.757 5.231 -3.889 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -0.510 8.899 -4.412 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -1.726 9.447 -3.234 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -0.556 8.184 -2.783 1.00 0.00 H new ATOM 1744 N LEU A 119 -3.999 10.004 -2.232 1.00 0.00 N ATOM 1745 CA LEU A 119 -3.854 11.447 -2.325 1.00 0.00 C ATOM 1746 C LEU A 119 -2.778 11.911 -1.342 1.00 0.00 C ATOM 1747 O LEU A 119 -2.890 11.682 -0.139 1.00 0.00 O ATOM 1748 CB LEU A 119 -5.207 12.134 -2.126 1.00 0.00 C ATOM 1749 CG LEU A 119 -5.225 13.650 -2.337 1.00 0.00 C ATOM 1750 CD1 LEU A 119 -4.334 14.356 -1.313 1.00 0.00 C ATOM 1751 CD2 LEU A 119 -4.843 14.009 -3.774 1.00 0.00 C ATOM 0 H LEU A 119 -3.861 9.621 -1.297 1.00 0.00 H new ATOM 0 HA LEU A 119 -3.520 11.734 -3.322 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -5.926 11.683 -2.810 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -5.554 11.923 -1.115 1.00 0.00 H new ATOM 0 HG LEU A 119 -6.243 14.005 -2.177 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -4.364 15.432 -1.485 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -4.693 14.139 -0.307 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -3.309 14.001 -1.417 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -4.864 15.092 -3.896 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -3.840 13.639 -3.987 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -5.553 13.552 -4.464 1.00 0.00 H new ATOM 1763 N ARG A 120 -1.759 12.555 -1.891 1.00 0.00 N ATOM 1764 CA ARG A 120 -0.663 13.054 -1.078 1.00 0.00 C ATOM 1765 C ARG A 120 -0.530 14.570 -1.238 1.00 0.00 C ATOM 1766 O ARG A 120 -0.846 15.116 -2.294 1.00 0.00 O ATOM 1767 CB ARG A 120 0.659 12.390 -1.467 1.00 0.00 C ATOM 1768 CG ARG A 120 1.597 12.287 -0.263 1.00 0.00 C ATOM 1769 CD ARG A 120 2.187 10.880 -0.146 1.00 0.00 C ATOM 1770 NE ARG A 120 3.635 10.912 -0.451 1.00 0.00 N ATOM 1771 CZ ARG A 120 4.482 9.910 -0.180 1.00 0.00 C ATOM 1772 NH1 ARG A 120 4.031 8.791 0.402 1.00 0.00 N ATOM 1773 NH2 ARG A 120 5.780 10.027 -0.492 1.00 0.00 N ATOM 0 H ARG A 120 -1.669 12.743 -2.890 1.00 0.00 H new ATOM 0 HA ARG A 120 -0.886 12.813 -0.039 1.00 0.00 H new ATOM 0 HB2 ARG A 120 0.466 11.395 -1.868 1.00 0.00 H new ATOM 0 HB3 ARG A 120 1.140 12.965 -2.259 1.00 0.00 H new ATOM 0 HG2 ARG A 120 2.402 13.016 -0.361 1.00 0.00 H new ATOM 0 HG3 ARG A 120 1.053 12.534 0.649 1.00 0.00 H new ATOM 0 HD2 ARG A 120 2.027 10.492 0.860 1.00 0.00 H new ATOM 0 HD3 ARG A 120 1.677 10.204 -0.833 1.00 0.00 H new ATOM 0 HE ARG A 120 4.012 11.749 -0.895 1.00 0.00 H new ATOM 0 HH11 ARG A 120 3.043 8.702 0.639 1.00 0.00 H new ATOM 0 HH12 ARG A 120 4.676 8.028 0.608 1.00 0.00 H new ATOM 0 HH21 ARG A 120 6.123 10.879 -0.936 1.00 0.00 H new ATOM 0 HH22 ARG A 120 6.425 9.264 -0.286 1.00 0.00 H new