USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 375 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 NoAdj-H: A 392 HIS HE2 : A 392 HIS NE2 : A1001 ZNZN :(H bumps) USER MOD NoAdj-H: A 398 HIS HE2 : A 398 HIS NE2 : A1001 ZNZN :(H bumps) USER MOD Set 1.1: A 378 SER OG : rot 160:sc= -0.676 USER MOD Set 1.2: A 408 GLN : amide:sc= -4.7! C(o=-5.4!,f=-1.6!) USER MOD Single : A 367 SER OG : rot 180:sc= 0 USER MOD Single : A 369 SER OG : rot 180:sc= 0 USER MOD Single : A 372 ASN : amide:sc= -1.12 X(o=-1.1,f=-0.82) USER MOD Single : A 373 LYS NZ :NH3+ -150:sc= -0.222 (180deg=-0.94) USER MOD Single : A 375 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 377 THR OG1 : rot 180:sc= 0 USER MOD Single : A 380 MET CE :methyl -164:sc=-0.00323 (180deg=-0.47) USER MOD Single : A 381 TYR OH : rot 180:sc= -0.153 USER MOD Single : A 384 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 386 TYR OH : rot 180:sc= 0 USER MOD Single : A 388 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 389 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 394 GLN : amide:sc= -1.62 K(o=-1.6,f=-2.1!) USER MOD Single : A 395 HIS : no HD1:sc= -1.97 X(o=-2,f=-2.3!) USER MOD Single : A 397 SER OG : rot 140:sc=-0.00101 USER MOD Single : A 402 SER OG : rot 180:sc= 0 USER MOD Single : A 404 TYR OH : rot 180:sc= 0 USER MOD Single : A 412 GLN : amide:sc= -4.28! C(o=-4.3!,f=-4.2!) USER MOD Single : A 415 THR OG1 : rot 180:sc= 0.0304 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 363 -9.299 -14.986 -20.009 1.00 0.00 N ATOM 2 CA GLY A 363 -8.842 -14.076 -21.098 1.00 0.00 C ATOM 3 C GLY A 363 -7.403 -13.619 -20.815 1.00 0.00 C ATOM 4 O GLY A 363 -6.465 -14.223 -21.296 1.00 0.00 O ATOM 0 HA2 GLY A 363 -8.890 -14.589 -22.059 1.00 0.00 H new ATOM 0 HA3 GLY A 363 -9.503 -13.212 -21.165 1.00 0.00 H new ATOM 10 N PRO A 364 -7.265 -12.563 -20.041 1.00 0.00 N ATOM 11 CA PRO A 364 -5.913 -12.047 -19.712 1.00 0.00 C ATOM 12 C PRO A 364 -5.207 -12.987 -18.723 1.00 0.00 C ATOM 13 O PRO A 364 -5.692 -14.067 -18.440 1.00 0.00 O ATOM 14 CB PRO A 364 -6.190 -10.690 -19.068 1.00 0.00 C ATOM 15 CG PRO A 364 -7.580 -10.793 -18.528 1.00 0.00 C ATOM 16 CD PRO A 364 -8.327 -11.759 -19.409 1.00 0.00 C ATOM 0 HA PRO A 364 -5.260 -11.974 -20.582 1.00 0.00 H new ATOM 0 HB2 PRO A 364 -5.474 -10.476 -18.275 1.00 0.00 H new ATOM 0 HB3 PRO A 364 -6.109 -9.884 -19.797 1.00 0.00 H new ATOM 0 HG2 PRO A 364 -7.567 -11.144 -17.496 1.00 0.00 H new ATOM 0 HG3 PRO A 364 -8.066 -9.817 -18.527 1.00 0.00 H new ATOM 0 HD2 PRO A 364 -9.008 -12.383 -18.830 1.00 0.00 H new ATOM 0 HD3 PRO A 364 -8.928 -11.237 -20.153 1.00 0.00 H new ATOM 24 N LEU A 365 -4.068 -12.590 -18.192 1.00 0.00 N ATOM 25 CA LEU A 365 -3.345 -13.470 -17.224 1.00 0.00 C ATOM 26 C LEU A 365 -3.272 -12.795 -15.846 1.00 0.00 C ATOM 27 O LEU A 365 -2.399 -11.984 -15.598 1.00 0.00 O ATOM 28 CB LEU A 365 -1.944 -13.641 -17.813 1.00 0.00 C ATOM 29 CG LEU A 365 -2.042 -14.353 -19.163 1.00 0.00 C ATOM 30 CD1 LEU A 365 -0.784 -14.065 -19.985 1.00 0.00 C ATOM 31 CD2 LEU A 365 -2.168 -15.861 -18.936 1.00 0.00 C ATOM 0 H LEU A 365 -3.614 -11.698 -18.389 1.00 0.00 H new ATOM 0 HA LEU A 365 -3.846 -14.427 -17.082 1.00 0.00 H new ATOM 0 HB2 LEU A 365 -1.469 -12.668 -17.937 1.00 0.00 H new ATOM 0 HB3 LEU A 365 -1.319 -14.217 -17.131 1.00 0.00 H new ATOM 0 HG LEU A 365 -2.918 -13.991 -19.701 1.00 0.00 H new ATOM 0 HD11 LEU A 365 -0.854 -14.573 -20.947 1.00 0.00 H new ATOM 0 HD12 LEU A 365 -0.693 -12.991 -20.147 1.00 0.00 H new ATOM 0 HD13 LEU A 365 0.093 -14.426 -19.447 1.00 0.00 H new ATOM 0 HD21 LEU A 365 -2.238 -16.369 -19.898 1.00 0.00 H new ATOM 0 HD22 LEU A 365 -1.292 -16.222 -18.398 1.00 0.00 H new ATOM 0 HD23 LEU A 365 -3.064 -16.067 -18.351 1.00 0.00 H new ATOM 43 N GLY A 366 -4.179 -13.117 -14.946 1.00 0.00 N ATOM 44 CA GLY A 366 -4.150 -12.488 -13.594 1.00 0.00 C ATOM 45 C GLY A 366 -5.267 -11.439 -13.491 1.00 0.00 C ATOM 46 O GLY A 366 -5.847 -11.052 -14.487 1.00 0.00 O ATOM 0 H GLY A 366 -4.933 -13.787 -15.096 1.00 0.00 H new ATOM 0 HA2 GLY A 366 -4.280 -13.249 -12.825 1.00 0.00 H new ATOM 0 HA3 GLY A 366 -3.181 -12.021 -13.420 1.00 0.00 H new ATOM 50 N SER A 367 -5.575 -10.974 -12.296 1.00 0.00 N ATOM 51 CA SER A 367 -6.655 -9.953 -12.146 1.00 0.00 C ATOM 52 C SER A 367 -6.077 -8.650 -11.573 1.00 0.00 C ATOM 53 O SER A 367 -5.292 -8.675 -10.643 1.00 0.00 O ATOM 54 CB SER A 367 -7.652 -10.572 -11.168 1.00 0.00 C ATOM 55 OG SER A 367 -8.820 -9.764 -11.113 1.00 0.00 O ATOM 0 H SER A 367 -5.124 -11.260 -11.427 1.00 0.00 H new ATOM 0 HA SER A 367 -7.121 -9.702 -13.099 1.00 0.00 H new ATOM 0 HB2 SER A 367 -7.910 -11.583 -11.485 1.00 0.00 H new ATOM 0 HB3 SER A 367 -7.205 -10.653 -10.177 1.00 0.00 H new ATOM 0 HG SER A 367 -9.462 -10.160 -10.487 1.00 0.00 H new ATOM 61 N GLY A 368 -6.452 -7.510 -12.118 1.00 0.00 N ATOM 62 CA GLY A 368 -5.915 -6.218 -11.597 1.00 0.00 C ATOM 63 C GLY A 368 -7.045 -5.180 -11.532 1.00 0.00 C ATOM 64 O GLY A 368 -8.100 -5.375 -12.107 1.00 0.00 O ATOM 0 H GLY A 368 -7.104 -7.425 -12.898 1.00 0.00 H new ATOM 0 HA2 GLY A 368 -5.484 -6.364 -10.606 1.00 0.00 H new ATOM 0 HA3 GLY A 368 -5.114 -5.859 -12.243 1.00 0.00 H new ATOM 68 N SER A 369 -6.837 -4.078 -10.839 1.00 0.00 N ATOM 69 CA SER A 369 -7.906 -3.039 -10.748 1.00 0.00 C ATOM 70 C SER A 369 -7.307 -1.637 -10.944 1.00 0.00 C ATOM 71 O SER A 369 -7.685 -0.923 -11.854 1.00 0.00 O ATOM 72 CB SER A 369 -8.482 -3.184 -9.339 1.00 0.00 C ATOM 73 OG SER A 369 -9.896 -3.048 -9.395 1.00 0.00 O ATOM 0 H SER A 369 -5.976 -3.860 -10.337 1.00 0.00 H new ATOM 0 HA SER A 369 -8.669 -3.166 -11.516 1.00 0.00 H new ATOM 0 HB2 SER A 369 -8.214 -4.155 -8.922 1.00 0.00 H new ATOM 0 HB3 SER A 369 -8.058 -2.426 -8.680 1.00 0.00 H new ATOM 0 HG SER A 369 -10.270 -3.142 -8.494 1.00 0.00 H new ATOM 79 N GLU A 370 -6.374 -1.233 -10.103 1.00 0.00 N ATOM 80 CA GLU A 370 -5.763 0.120 -10.257 1.00 0.00 C ATOM 81 C GLU A 370 -4.244 -0.007 -10.446 1.00 0.00 C ATOM 82 O GLU A 370 -3.490 0.091 -9.496 1.00 0.00 O ATOM 83 CB GLU A 370 -6.084 0.851 -8.953 1.00 0.00 C ATOM 84 CG GLU A 370 -7.525 1.364 -8.997 1.00 0.00 C ATOM 85 CD GLU A 370 -8.004 1.663 -7.576 1.00 0.00 C ATOM 86 OE1 GLU A 370 -7.246 2.261 -6.829 1.00 0.00 O ATOM 87 OE2 GLU A 370 -9.121 1.290 -7.257 1.00 0.00 O ATOM 0 H GLU A 370 -6.016 -1.784 -9.323 1.00 0.00 H new ATOM 0 HA GLU A 370 -6.149 0.653 -11.126 1.00 0.00 H new ATOM 0 HB2 GLU A 370 -5.952 0.179 -8.105 1.00 0.00 H new ATOM 0 HB3 GLU A 370 -5.395 1.683 -8.811 1.00 0.00 H new ATOM 0 HG2 GLU A 370 -7.583 2.264 -9.609 1.00 0.00 H new ATOM 0 HG3 GLU A 370 -8.173 0.621 -9.462 1.00 0.00 H new ATOM 94 N GLY A 371 -3.786 -0.230 -11.662 1.00 0.00 N ATOM 95 CA GLY A 371 -2.318 -0.365 -11.894 1.00 0.00 C ATOM 96 C GLY A 371 -1.918 0.423 -13.150 1.00 0.00 C ATOM 97 O GLY A 371 -1.118 -0.039 -13.942 1.00 0.00 O ATOM 0 H GLY A 371 -4.367 -0.323 -12.495 1.00 0.00 H new ATOM 0 HA2 GLY A 371 -1.768 0.006 -11.029 1.00 0.00 H new ATOM 0 HA3 GLY A 371 -2.054 -1.416 -12.013 1.00 0.00 H new ATOM 101 N ASN A 372 -2.463 1.608 -13.342 1.00 0.00 N ATOM 102 CA ASN A 372 -2.101 2.408 -14.551 1.00 0.00 C ATOM 103 C ASN A 372 -2.118 3.912 -14.224 1.00 0.00 C ATOM 104 O ASN A 372 -1.090 4.562 -14.244 1.00 0.00 O ATOM 105 CB ASN A 372 -3.173 2.068 -15.586 1.00 0.00 C ATOM 106 CG ASN A 372 -2.962 0.635 -16.089 1.00 0.00 C ATOM 107 OD1 ASN A 372 -2.179 0.410 -16.991 1.00 0.00 O ATOM 108 ND2 ASN A 372 -3.626 -0.354 -15.543 1.00 0.00 N ATOM 0 H ASN A 372 -3.137 2.048 -12.715 1.00 0.00 H new ATOM 0 HA ASN A 372 -1.099 2.178 -14.913 1.00 0.00 H new ATOM 0 HB2 ASN A 372 -4.165 2.167 -15.144 1.00 0.00 H new ATOM 0 HB3 ASN A 372 -3.124 2.768 -16.420 1.00 0.00 H new ATOM 0 HD21 ASN A 372 -3.485 -1.308 -15.875 1.00 0.00 H new ATOM 0 HD22 ASN A 372 -4.284 -0.170 -14.786 1.00 0.00 H new ATOM 115 N LYS A 373 -3.274 4.471 -13.925 1.00 0.00 N ATOM 116 CA LYS A 373 -3.337 5.932 -13.600 1.00 0.00 C ATOM 117 C LYS A 373 -4.529 6.224 -12.675 1.00 0.00 C ATOM 118 O LYS A 373 -5.532 6.767 -13.102 1.00 0.00 O ATOM 119 CB LYS A 373 -3.509 6.631 -14.950 1.00 0.00 C ATOM 120 CG LYS A 373 -2.677 7.916 -14.970 1.00 0.00 C ATOM 121 CD LYS A 373 -1.277 7.614 -15.514 1.00 0.00 C ATOM 122 CE LYS A 373 -1.217 7.966 -17.004 1.00 0.00 C ATOM 123 NZ LYS A 373 -1.685 6.741 -17.710 1.00 0.00 N ATOM 0 H LYS A 373 -4.167 3.980 -13.893 1.00 0.00 H new ATOM 0 HA LYS A 373 -2.446 6.278 -13.076 1.00 0.00 H new ATOM 0 HB2 LYS A 373 -3.194 5.969 -15.757 1.00 0.00 H new ATOM 0 HB3 LYS A 373 -4.560 6.863 -15.120 1.00 0.00 H new ATOM 0 HG2 LYS A 373 -3.165 8.667 -15.591 1.00 0.00 H new ATOM 0 HG3 LYS A 373 -2.606 8.331 -13.964 1.00 0.00 H new ATOM 0 HD2 LYS A 373 -0.531 8.188 -14.964 1.00 0.00 H new ATOM 0 HD3 LYS A 373 -1.039 6.560 -15.369 1.00 0.00 H new ATOM 0 HE2 LYS A 373 -1.853 8.821 -17.233 1.00 0.00 H new ATOM 0 HE3 LYS A 373 -0.204 8.233 -17.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 373 -1.227 6.681 -18.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 373 -1.439 5.901 -17.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 373 -2.717 6.785 -17.834 1.00 0.00 H new ATOM 137 N VAL A 374 -4.431 5.865 -11.411 1.00 0.00 N ATOM 138 CA VAL A 374 -5.561 6.120 -10.473 1.00 0.00 C ATOM 139 C VAL A 374 -5.024 6.406 -9.057 1.00 0.00 C ATOM 140 O VAL A 374 -3.894 6.085 -8.744 1.00 0.00 O ATOM 141 CB VAL A 374 -6.387 4.827 -10.499 1.00 0.00 C ATOM 142 CG1 VAL A 374 -7.570 4.939 -9.535 1.00 0.00 C ATOM 143 CG2 VAL A 374 -6.918 4.589 -11.917 1.00 0.00 C ATOM 0 H VAL A 374 -3.618 5.409 -10.997 1.00 0.00 H new ATOM 0 HA VAL A 374 -6.156 6.987 -10.758 1.00 0.00 H new ATOM 0 HB VAL A 374 -5.751 3.995 -10.195 1.00 0.00 H new ATOM 0 HG11 VAL A 374 -8.149 4.016 -9.561 1.00 0.00 H new ATOM 0 HG12 VAL A 374 -7.200 5.107 -8.523 1.00 0.00 H new ATOM 0 HG13 VAL A 374 -8.204 5.774 -9.833 1.00 0.00 H new ATOM 0 HG21 VAL A 374 -7.505 3.671 -11.936 1.00 0.00 H new ATOM 0 HG22 VAL A 374 -7.547 5.428 -12.216 1.00 0.00 H new ATOM 0 HG23 VAL A 374 -6.080 4.499 -12.609 1.00 0.00 H new ATOM 153 N LYS A 375 -5.828 6.999 -8.200 1.00 0.00 N ATOM 154 CA LYS A 375 -5.352 7.290 -6.800 1.00 0.00 C ATOM 155 C LYS A 375 -5.656 6.086 -5.896 1.00 0.00 C ATOM 156 O LYS A 375 -6.736 5.975 -5.345 1.00 0.00 O ATOM 157 CB LYS A 375 -6.121 8.533 -6.315 1.00 0.00 C ATOM 158 CG LYS A 375 -5.179 9.745 -6.265 1.00 0.00 C ATOM 159 CD LYS A 375 -5.842 10.943 -6.950 1.00 0.00 C ATOM 160 CE LYS A 375 -5.537 10.902 -8.448 1.00 0.00 C ATOM 161 NZ LYS A 375 -5.514 12.328 -8.873 1.00 0.00 N ATOM 0 H LYS A 375 -6.783 7.292 -8.404 1.00 0.00 H new ATOM 0 HA LYS A 375 -4.277 7.470 -6.773 1.00 0.00 H new ATOM 0 HB2 LYS A 375 -6.956 8.738 -6.984 1.00 0.00 H new ATOM 0 HB3 LYS A 375 -6.542 8.348 -5.327 1.00 0.00 H new ATOM 0 HG2 LYS A 375 -4.942 9.991 -5.230 1.00 0.00 H new ATOM 0 HG3 LYS A 375 -4.237 9.506 -6.759 1.00 0.00 H new ATOM 0 HD2 LYS A 375 -6.919 10.920 -6.786 1.00 0.00 H new ATOM 0 HD3 LYS A 375 -5.474 11.873 -6.518 1.00 0.00 H new ATOM 0 HE2 LYS A 375 -4.581 10.416 -8.643 1.00 0.00 H new ATOM 0 HE3 LYS A 375 -6.297 10.340 -8.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 375 -5.310 12.383 -9.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 375 -6.439 12.763 -8.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 375 -4.776 12.836 -8.344 1.00 0.00 H new ATOM 175 N ARG A 376 -4.714 5.180 -5.746 1.00 0.00 N ATOM 176 CA ARG A 376 -4.958 3.978 -4.877 1.00 0.00 C ATOM 177 C ARG A 376 -5.361 4.404 -3.462 1.00 0.00 C ATOM 178 O ARG A 376 -4.985 5.460 -2.989 1.00 0.00 O ATOM 179 CB ARG A 376 -3.648 3.184 -4.826 1.00 0.00 C ATOM 180 CG ARG A 376 -3.650 2.128 -5.929 1.00 0.00 C ATOM 181 CD ARG A 376 -2.379 1.274 -5.822 1.00 0.00 C ATOM 182 NE ARG A 376 -1.889 1.093 -7.237 1.00 0.00 N ATOM 183 CZ ARG A 376 -0.596 1.100 -7.531 1.00 0.00 C ATOM 184 NH1 ARG A 376 0.327 1.154 -6.597 1.00 0.00 N ATOM 185 NH2 ARG A 376 -0.220 1.016 -8.783 1.00 0.00 N ATOM 0 H ARG A 376 -3.794 5.219 -6.184 1.00 0.00 H new ATOM 0 HA ARG A 376 -5.770 3.375 -5.285 1.00 0.00 H new ATOM 0 HB2 ARG A 376 -2.798 3.855 -4.952 1.00 0.00 H new ATOM 0 HB3 ARG A 376 -3.537 2.708 -3.852 1.00 0.00 H new ATOM 0 HG2 ARG A 376 -4.534 1.496 -5.841 1.00 0.00 H new ATOM 0 HG3 ARG A 376 -3.697 2.608 -6.907 1.00 0.00 H new ATOM 0 HD2 ARG A 376 -1.626 1.767 -5.207 1.00 0.00 H new ATOM 0 HD3 ARG A 376 -2.592 0.312 -5.355 1.00 0.00 H new ATOM 0 HE ARG A 376 -2.569 0.962 -7.986 1.00 0.00 H new ATOM 0 HH11 ARG A 376 0.056 1.192 -5.614 1.00 0.00 H new ATOM 0 HH12 ARG A 376 1.314 1.158 -6.855 1.00 0.00 H new ATOM 0 HH21 ARG A 376 -0.920 0.946 -9.522 1.00 0.00 H new ATOM 0 HH22 ARG A 376 0.772 1.021 -9.019 1.00 0.00 H new ATOM 199 N THR A 377 -6.111 3.573 -2.778 1.00 0.00 N ATOM 200 CA THR A 377 -6.525 3.914 -1.378 1.00 0.00 C ATOM 201 C THR A 377 -5.369 3.539 -0.435 1.00 0.00 C ATOM 202 O THR A 377 -4.813 2.464 -0.547 1.00 0.00 O ATOM 203 CB THR A 377 -7.795 3.069 -1.118 1.00 0.00 C ATOM 204 OG1 THR A 377 -8.910 3.719 -1.709 1.00 0.00 O ATOM 205 CG2 THR A 377 -8.058 2.892 0.384 1.00 0.00 C ATOM 0 H THR A 377 -6.453 2.677 -3.126 1.00 0.00 H new ATOM 0 HA THR A 377 -6.740 4.971 -1.219 1.00 0.00 H new ATOM 0 HB THR A 377 -7.644 2.082 -1.556 1.00 0.00 H new ATOM 0 HG1 THR A 377 -9.719 3.189 -1.551 1.00 0.00 H new ATOM 0 HG21 THR A 377 -8.958 2.294 0.528 1.00 0.00 H new ATOM 0 HG22 THR A 377 -7.209 2.387 0.845 1.00 0.00 H new ATOM 0 HG23 THR A 377 -8.194 3.869 0.847 1.00 0.00 H new ATOM 213 N SER A 378 -4.992 4.409 0.484 1.00 0.00 N ATOM 214 CA SER A 378 -3.848 4.070 1.418 1.00 0.00 C ATOM 215 C SER A 378 -4.078 2.690 2.058 1.00 0.00 C ATOM 216 O SER A 378 -5.204 2.249 2.182 1.00 0.00 O ATOM 217 CB SER A 378 -3.822 5.158 2.501 1.00 0.00 C ATOM 218 OG SER A 378 -5.090 5.210 3.147 1.00 0.00 O ATOM 0 H SER A 378 -5.416 5.325 0.629 1.00 0.00 H new ATOM 0 HA SER A 378 -2.901 4.032 0.879 1.00 0.00 H new ATOM 0 HB2 SER A 378 -3.039 4.944 3.229 1.00 0.00 H new ATOM 0 HB3 SER A 378 -3.588 6.125 2.056 1.00 0.00 H new ATOM 0 HG SER A 378 -4.996 5.649 4.018 1.00 0.00 H new ATOM 224 N CYS A 379 -3.031 2.001 2.454 1.00 0.00 N ATOM 225 CA CYS A 379 -3.227 0.639 3.076 1.00 0.00 C ATOM 226 C CYS A 379 -3.680 0.766 4.539 1.00 0.00 C ATOM 227 O CYS A 379 -3.417 1.760 5.192 1.00 0.00 O ATOM 228 CB CYS A 379 -1.862 -0.060 3.010 1.00 0.00 C ATOM 229 SG CYS A 379 -2.081 -1.848 3.152 1.00 0.00 S ATOM 0 H CYS A 379 -2.063 2.312 2.378 1.00 0.00 H new ATOM 0 HA CYS A 379 -3.997 0.077 2.548 1.00 0.00 H new ATOM 0 HB2 CYS A 379 -1.365 0.181 2.070 1.00 0.00 H new ATOM 0 HB3 CYS A 379 -1.219 0.302 3.813 1.00 0.00 H new ATOM 234 N MET A 380 -4.349 -0.242 5.069 1.00 0.00 N ATOM 235 CA MET A 380 -4.799 -0.168 6.509 1.00 0.00 C ATOM 236 C MET A 380 -3.582 -0.014 7.441 1.00 0.00 C ATOM 237 O MET A 380 -3.684 0.597 8.490 1.00 0.00 O ATOM 238 CB MET A 380 -5.526 -1.487 6.816 1.00 0.00 C ATOM 239 CG MET A 380 -6.744 -1.629 5.903 1.00 0.00 C ATOM 240 SD MET A 380 -7.946 -2.745 6.669 1.00 0.00 S ATOM 241 CE MET A 380 -6.923 -4.237 6.627 1.00 0.00 C ATOM 0 H MET A 380 -4.600 -1.100 4.577 1.00 0.00 H new ATOM 0 HA MET A 380 -5.453 0.690 6.667 1.00 0.00 H new ATOM 0 HB2 MET A 380 -4.849 -2.329 6.669 1.00 0.00 H new ATOM 0 HB3 MET A 380 -5.838 -1.507 7.860 1.00 0.00 H new ATOM 0 HG2 MET A 380 -7.197 -0.653 5.729 1.00 0.00 H new ATOM 0 HG3 MET A 380 -6.440 -2.017 4.931 1.00 0.00 H new ATOM 0 HE1 MET A 380 -7.551 -5.113 6.787 1.00 0.00 H new ATOM 0 HE2 MET A 380 -6.432 -4.314 5.657 1.00 0.00 H new ATOM 0 HE3 MET A 380 -6.169 -4.183 7.412 1.00 0.00 H new ATOM 251 N TYR A 381 -2.430 -0.543 7.070 1.00 0.00 N ATOM 252 CA TYR A 381 -1.227 -0.390 7.953 1.00 0.00 C ATOM 253 C TYR A 381 -0.528 0.955 7.689 1.00 0.00 C ATOM 254 O TYR A 381 0.156 1.471 8.556 1.00 0.00 O ATOM 255 CB TYR A 381 -0.292 -1.559 7.621 1.00 0.00 C ATOM 256 CG TYR A 381 -0.745 -2.786 8.374 1.00 0.00 C ATOM 257 CD1 TYR A 381 -1.768 -3.613 7.836 1.00 0.00 C ATOM 258 CD2 TYR A 381 -0.155 -3.108 9.625 1.00 0.00 C ATOM 259 CE1 TYR A 381 -2.197 -4.766 8.549 1.00 0.00 C ATOM 260 CE2 TYR A 381 -0.585 -4.259 10.338 1.00 0.00 C ATOM 261 CZ TYR A 381 -1.606 -5.088 9.801 1.00 0.00 C ATOM 262 OH TYR A 381 -2.024 -6.205 10.495 1.00 0.00 O ATOM 0 H TYR A 381 -2.276 -1.065 6.207 1.00 0.00 H new ATOM 0 HA TYR A 381 -1.510 -0.401 9.006 1.00 0.00 H new ATOM 0 HB2 TYR A 381 -0.299 -1.753 6.548 1.00 0.00 H new ATOM 0 HB3 TYR A 381 0.733 -1.309 7.893 1.00 0.00 H new ATOM 0 HD1 TYR A 381 -2.219 -3.366 6.886 1.00 0.00 H new ATOM 0 HD2 TYR A 381 0.621 -2.478 10.034 1.00 0.00 H new ATOM 0 HE1 TYR A 381 -2.972 -5.397 8.139 1.00 0.00 H new ATOM 0 HE2 TYR A 381 -0.135 -4.504 11.289 1.00 0.00 H new ATOM 0 HH TYR A 381 -1.517 -6.280 11.330 1.00 0.00 H new ATOM 272 N GLY A 382 -0.690 1.544 6.516 1.00 0.00 N ATOM 273 CA GLY A 382 -0.031 2.852 6.242 1.00 0.00 C ATOM 274 C GLY A 382 1.487 2.666 6.192 1.00 0.00 C ATOM 275 O GLY A 382 2.050 2.456 5.139 1.00 0.00 O ATOM 0 H GLY A 382 -1.248 1.170 5.749 1.00 0.00 H new ATOM 0 HA2 GLY A 382 -0.388 3.259 5.296 1.00 0.00 H new ATOM 0 HA3 GLY A 382 -0.293 3.572 7.018 1.00 0.00 H new ATOM 279 N ALA A 383 2.156 2.735 7.321 1.00 0.00 N ATOM 280 CA ALA A 383 3.641 2.559 7.311 1.00 0.00 C ATOM 281 C ALA A 383 4.073 1.192 7.879 1.00 0.00 C ATOM 282 O ALA A 383 5.252 0.885 7.875 1.00 0.00 O ATOM 283 CB ALA A 383 4.191 3.690 8.183 1.00 0.00 C ATOM 0 H ALA A 383 1.742 2.904 8.238 1.00 0.00 H new ATOM 0 HA ALA A 383 4.023 2.591 6.291 1.00 0.00 H new ATOM 0 HB1 ALA A 383 5.278 3.624 8.222 1.00 0.00 H new ATOM 0 HB2 ALA A 383 3.901 4.651 7.758 1.00 0.00 H new ATOM 0 HB3 ALA A 383 3.786 3.602 9.191 1.00 0.00 H new ATOM 289 N ASN A 384 3.168 0.371 8.386 1.00 0.00 N ATOM 290 CA ASN A 384 3.607 -0.943 8.953 1.00 0.00 C ATOM 291 C ASN A 384 3.115 -2.150 8.122 1.00 0.00 C ATOM 292 O ASN A 384 3.124 -3.259 8.620 1.00 0.00 O ATOM 293 CB ASN A 384 3.004 -0.983 10.359 1.00 0.00 C ATOM 294 CG ASN A 384 3.842 -0.107 11.298 1.00 0.00 C ATOM 295 OD1 ASN A 384 4.838 -0.553 11.829 1.00 0.00 O ATOM 296 ND2 ASN A 384 3.485 1.134 11.529 1.00 0.00 N ATOM 0 H ASN A 384 2.166 0.555 8.428 1.00 0.00 H new ATOM 0 HA ASN A 384 4.694 -1.020 8.950 1.00 0.00 H new ATOM 0 HB2 ASN A 384 1.974 -0.628 10.335 1.00 0.00 H new ATOM 0 HB3 ASN A 384 2.979 -2.009 10.727 1.00 0.00 H new ATOM 0 HD21 ASN A 384 4.043 1.718 12.152 1.00 0.00 H new ATOM 0 HD22 ASN A 384 2.649 1.515 11.086 1.00 0.00 H new ATOM 303 N CYS A 385 2.676 -1.969 6.876 1.00 0.00 N ATOM 304 CA CYS A 385 2.187 -3.159 6.059 1.00 0.00 C ATOM 305 C CYS A 385 3.182 -4.334 6.166 1.00 0.00 C ATOM 306 O CYS A 385 4.382 -4.137 6.126 1.00 0.00 O ATOM 307 CB CYS A 385 2.087 -2.675 4.596 1.00 0.00 C ATOM 308 SG CYS A 385 1.149 -3.874 3.608 1.00 0.00 S ATOM 0 H CYS A 385 2.635 -1.069 6.398 1.00 0.00 H new ATOM 0 HA CYS A 385 1.224 -3.515 6.425 1.00 0.00 H new ATOM 0 HB2 CYS A 385 1.600 -1.701 4.559 1.00 0.00 H new ATOM 0 HB3 CYS A 385 3.085 -2.548 4.177 1.00 0.00 H new ATOM 313 N TYR A 386 2.694 -5.547 6.327 1.00 0.00 N ATOM 314 CA TYR A 386 3.626 -6.714 6.467 1.00 0.00 C ATOM 315 C TYR A 386 3.474 -7.735 5.315 1.00 0.00 C ATOM 316 O TYR A 386 4.459 -8.287 4.859 1.00 0.00 O ATOM 317 CB TYR A 386 3.285 -7.344 7.831 1.00 0.00 C ATOM 318 CG TYR A 386 1.903 -7.970 7.813 1.00 0.00 C ATOM 319 CD1 TYR A 386 1.732 -9.292 7.322 1.00 0.00 C ATOM 320 CD2 TYR A 386 0.780 -7.238 8.287 1.00 0.00 C ATOM 321 CE1 TYR A 386 0.440 -9.882 7.301 1.00 0.00 C ATOM 322 CE2 TYR A 386 -0.513 -7.829 8.266 1.00 0.00 C ATOM 323 CZ TYR A 386 -0.684 -9.150 7.773 1.00 0.00 C ATOM 324 OH TYR A 386 -1.940 -9.722 7.750 1.00 0.00 O ATOM 0 H TYR A 386 1.701 -5.776 6.367 1.00 0.00 H new ATOM 0 HA TYR A 386 4.666 -6.392 6.415 1.00 0.00 H new ATOM 0 HB2 TYR A 386 4.028 -8.102 8.081 1.00 0.00 H new ATOM 0 HB3 TYR A 386 3.332 -6.582 8.609 1.00 0.00 H new ATOM 0 HD1 TYR A 386 2.585 -9.849 6.964 1.00 0.00 H new ATOM 0 HD2 TYR A 386 0.909 -6.234 8.663 1.00 0.00 H new ATOM 0 HE1 TYR A 386 0.311 -10.887 6.926 1.00 0.00 H new ATOM 0 HE2 TYR A 386 -1.366 -7.273 8.625 1.00 0.00 H new ATOM 0 HH TYR A 386 -2.595 -9.087 8.109 1.00 0.00 H new ATOM 334 N ARG A 387 2.269 -8.012 4.847 1.00 0.00 N ATOM 335 CA ARG A 387 2.110 -9.025 3.734 1.00 0.00 C ATOM 336 C ARG A 387 3.039 -8.690 2.552 1.00 0.00 C ATOM 337 O ARG A 387 3.523 -7.579 2.437 1.00 0.00 O ATOM 338 CB ARG A 387 0.640 -8.969 3.288 1.00 0.00 C ATOM 339 CG ARG A 387 0.285 -7.550 2.841 1.00 0.00 C ATOM 340 CD ARG A 387 -0.958 -7.596 1.948 1.00 0.00 C ATOM 341 NE ARG A 387 -2.112 -7.658 2.897 1.00 0.00 N ATOM 342 CZ ARG A 387 -2.454 -6.611 3.633 1.00 0.00 C ATOM 343 NH1 ARG A 387 -1.787 -5.480 3.567 1.00 0.00 N ATOM 344 NH2 ARG A 387 -3.476 -6.697 4.445 1.00 0.00 N ATOM 0 H ARG A 387 1.402 -7.590 5.179 1.00 0.00 H new ATOM 0 HA ARG A 387 2.378 -10.023 4.082 1.00 0.00 H new ATOM 0 HB2 ARG A 387 0.472 -9.670 2.470 1.00 0.00 H new ATOM 0 HB3 ARG A 387 -0.010 -9.275 4.108 1.00 0.00 H new ATOM 0 HG2 ARG A 387 0.099 -6.919 3.710 1.00 0.00 H new ATOM 0 HG3 ARG A 387 1.120 -7.108 2.298 1.00 0.00 H new ATOM 0 HD2 ARG A 387 -1.019 -6.715 1.310 1.00 0.00 H new ATOM 0 HD3 ARG A 387 -0.940 -8.465 1.291 1.00 0.00 H new ATOM 0 HE ARG A 387 -2.646 -8.523 2.979 1.00 0.00 H new ATOM 0 HH11 ARG A 387 -0.987 -5.395 2.939 1.00 0.00 H new ATOM 0 HH12 ARG A 387 -2.069 -4.687 4.143 1.00 0.00 H new ATOM 0 HH21 ARG A 387 -4.005 -7.567 4.509 1.00 0.00 H new ATOM 0 HH22 ARG A 387 -3.744 -5.894 5.014 1.00 0.00 H new ATOM 358 N LYS A 388 3.297 -9.643 1.677 1.00 0.00 N ATOM 359 CA LYS A 388 4.200 -9.366 0.518 1.00 0.00 C ATOM 360 C LYS A 388 3.526 -9.781 -0.801 1.00 0.00 C ATOM 361 O LYS A 388 4.075 -10.554 -1.564 1.00 0.00 O ATOM 362 CB LYS A 388 5.460 -10.202 0.772 1.00 0.00 C ATOM 363 CG LYS A 388 5.099 -11.691 0.866 1.00 0.00 C ATOM 364 CD LYS A 388 6.120 -12.522 0.085 1.00 0.00 C ATOM 365 CE LYS A 388 5.579 -13.938 -0.115 1.00 0.00 C ATOM 366 NZ LYS A 388 6.692 -14.686 -0.762 1.00 0.00 N ATOM 0 H LYS A 388 2.922 -10.591 1.720 1.00 0.00 H new ATOM 0 HA LYS A 388 4.434 -8.305 0.430 1.00 0.00 H new ATOM 0 HB2 LYS A 388 6.178 -10.045 -0.033 1.00 0.00 H new ATOM 0 HB3 LYS A 388 5.940 -9.878 1.695 1.00 0.00 H new ATOM 0 HG2 LYS A 388 5.082 -12.005 1.910 1.00 0.00 H new ATOM 0 HG3 LYS A 388 4.099 -11.858 0.467 1.00 0.00 H new ATOM 0 HD2 LYS A 388 6.320 -12.058 -0.881 1.00 0.00 H new ATOM 0 HD3 LYS A 388 7.066 -12.556 0.625 1.00 0.00 H new ATOM 0 HE2 LYS A 388 5.298 -14.392 0.836 1.00 0.00 H new ATOM 0 HE3 LYS A 388 4.688 -13.935 -0.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 6.397 -15.669 -0.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 6.933 -14.235 -1.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 7.525 -14.677 -0.139 1.00 0.00 H new ATOM 380 N ASN A 389 2.345 -9.269 -1.079 1.00 0.00 N ATOM 381 CA ASN A 389 1.659 -9.640 -2.357 1.00 0.00 C ATOM 382 C ASN A 389 1.807 -8.505 -3.380 1.00 0.00 C ATOM 383 O ASN A 389 1.714 -7.347 -3.021 1.00 0.00 O ATOM 384 CB ASN A 389 0.182 -9.841 -1.998 1.00 0.00 C ATOM 385 CG ASN A 389 -0.028 -11.258 -1.448 1.00 0.00 C ATOM 386 OD1 ASN A 389 0.612 -11.648 -0.493 1.00 0.00 O ATOM 387 ND2 ASN A 389 -0.908 -12.054 -2.009 1.00 0.00 N ATOM 0 H ASN A 389 1.834 -8.618 -0.482 1.00 0.00 H new ATOM 0 HA ASN A 389 2.088 -10.539 -2.799 1.00 0.00 H new ATOM 0 HB2 ASN A 389 -0.126 -9.103 -1.257 1.00 0.00 H new ATOM 0 HB3 ASN A 389 -0.441 -9.686 -2.879 1.00 0.00 H new ATOM 0 HD21 ASN A 389 -1.051 -12.995 -1.642 1.00 0.00 H new ATOM 0 HD22 ASN A 389 -1.449 -11.732 -2.812 1.00 0.00 H new ATOM 394 N PRO A 390 2.023 -8.859 -4.632 1.00 0.00 N ATOM 395 CA PRO A 390 2.163 -7.821 -5.677 1.00 0.00 C ATOM 396 C PRO A 390 0.793 -7.172 -5.969 1.00 0.00 C ATOM 397 O PRO A 390 0.575 -6.037 -5.603 1.00 0.00 O ATOM 398 CB PRO A 390 2.752 -8.579 -6.871 1.00 0.00 C ATOM 399 CG PRO A 390 2.396 -10.023 -6.660 1.00 0.00 C ATOM 400 CD PRO A 390 2.150 -10.222 -5.183 1.00 0.00 C ATOM 0 HA PRO A 390 2.805 -6.987 -5.395 1.00 0.00 H new ATOM 0 HB2 PRO A 390 2.340 -8.209 -7.810 1.00 0.00 H new ATOM 0 HB3 PRO A 390 3.833 -8.447 -6.923 1.00 0.00 H new ATOM 0 HG2 PRO A 390 1.508 -10.286 -7.235 1.00 0.00 H new ATOM 0 HG3 PRO A 390 3.202 -10.670 -7.004 1.00 0.00 H new ATOM 0 HD2 PRO A 390 1.246 -10.805 -5.008 1.00 0.00 H new ATOM 0 HD3 PRO A 390 2.973 -10.762 -4.715 1.00 0.00 H new ATOM 408 N VAL A 391 -0.122 -7.858 -6.638 1.00 0.00 N ATOM 409 CA VAL A 391 -1.484 -7.258 -6.962 1.00 0.00 C ATOM 410 C VAL A 391 -2.063 -6.422 -5.782 1.00 0.00 C ATOM 411 O VAL A 391 -2.785 -5.469 -6.010 1.00 0.00 O ATOM 412 CB VAL A 391 -2.407 -8.449 -7.303 1.00 0.00 C ATOM 413 CG1 VAL A 391 -3.859 -7.980 -7.475 1.00 0.00 C ATOM 414 CG2 VAL A 391 -1.936 -9.090 -8.613 1.00 0.00 C ATOM 0 H VAL A 391 0.012 -8.811 -6.976 1.00 0.00 H new ATOM 0 HA VAL A 391 -1.401 -6.560 -7.795 1.00 0.00 H new ATOM 0 HB VAL A 391 -2.362 -9.169 -6.486 1.00 0.00 H new ATOM 0 HG11 VAL A 391 -4.491 -8.835 -7.715 1.00 0.00 H new ATOM 0 HG12 VAL A 391 -4.205 -7.521 -6.549 1.00 0.00 H new ATOM 0 HG13 VAL A 391 -3.913 -7.251 -8.284 1.00 0.00 H new ATOM 0 HG21 VAL A 391 -2.583 -9.932 -8.860 1.00 0.00 H new ATOM 0 HG22 VAL A 391 -1.978 -8.353 -9.415 1.00 0.00 H new ATOM 0 HG23 VAL A 391 -0.911 -9.442 -8.498 1.00 0.00 H new ATOM 424 N HIS A 392 -1.720 -6.722 -4.541 1.00 0.00 N ATOM 425 CA HIS A 392 -2.227 -5.879 -3.392 1.00 0.00 C ATOM 426 C HIS A 392 -1.646 -4.452 -3.534 1.00 0.00 C ATOM 427 O HIS A 392 -2.325 -3.475 -3.279 1.00 0.00 O ATOM 428 CB HIS A 392 -1.702 -6.580 -2.111 1.00 0.00 C ATOM 429 CG HIS A 392 -1.722 -5.660 -0.912 1.00 0.00 C ATOM 430 ND1 HIS A 392 -2.802 -5.592 -0.046 1.00 0.00 N ATOM 431 CD2 HIS A 392 -0.785 -4.790 -0.413 1.00 0.00 C ATOM 432 CE1 HIS A 392 -2.488 -4.714 0.925 1.00 0.00 C ATOM 433 NE2 HIS A 392 -1.268 -4.195 0.750 1.00 0.00 N ATOM 0 H HIS A 392 -1.120 -7.503 -4.275 1.00 0.00 H new ATOM 0 HA HIS A 392 -3.313 -5.789 -3.365 1.00 0.00 H new ATOM 0 HB2 HIS A 392 -2.312 -7.459 -1.903 1.00 0.00 H new ATOM 0 HB3 HIS A 392 -0.684 -6.931 -2.281 1.00 0.00 H new ATOM 0 HD1 HIS A 392 -3.675 -6.112 -0.129 1.00 0.00 H new ATOM 0 HD2 HIS A 392 0.181 -4.596 -0.855 1.00 0.00 H new ATOM 0 HE1 HIS A 392 -3.142 -4.460 1.746 1.00 0.00 H new ATOM 441 N PHE A 393 -0.402 -4.328 -3.967 1.00 0.00 N ATOM 442 CA PHE A 393 0.191 -2.955 -4.154 1.00 0.00 C ATOM 443 C PHE A 393 -0.645 -2.167 -5.177 1.00 0.00 C ATOM 444 O PHE A 393 -0.741 -0.957 -5.097 1.00 0.00 O ATOM 445 CB PHE A 393 1.621 -3.150 -4.684 1.00 0.00 C ATOM 446 CG PHE A 393 2.596 -3.137 -3.529 1.00 0.00 C ATOM 447 CD1 PHE A 393 3.088 -1.900 -3.033 1.00 0.00 C ATOM 448 CD2 PHE A 393 3.023 -4.360 -2.943 1.00 0.00 C ATOM 449 CE1 PHE A 393 4.008 -1.885 -1.950 1.00 0.00 C ATOM 450 CE2 PHE A 393 3.944 -4.345 -1.860 1.00 0.00 C ATOM 451 CZ PHE A 393 4.438 -3.107 -1.365 1.00 0.00 C ATOM 0 H PHE A 393 0.217 -5.106 -4.195 1.00 0.00 H new ATOM 0 HA PHE A 393 0.198 -2.399 -3.217 1.00 0.00 H new ATOM 0 HB2 PHE A 393 1.694 -4.094 -5.224 1.00 0.00 H new ATOM 0 HB3 PHE A 393 1.869 -2.358 -5.391 1.00 0.00 H new ATOM 0 HD1 PHE A 393 2.763 -0.972 -3.479 1.00 0.00 H new ATOM 0 HD2 PHE A 393 2.648 -5.300 -3.320 1.00 0.00 H new ATOM 0 HE1 PHE A 393 4.381 -0.945 -1.571 1.00 0.00 H new ATOM 0 HE2 PHE A 393 4.268 -5.273 -1.414 1.00 0.00 H new ATOM 0 HZ PHE A 393 5.140 -3.095 -0.544 1.00 0.00 H new ATOM 461 N GLN A 394 -1.252 -2.839 -6.138 1.00 0.00 N ATOM 462 CA GLN A 394 -2.080 -2.098 -7.154 1.00 0.00 C ATOM 463 C GLN A 394 -3.443 -1.694 -6.561 1.00 0.00 C ATOM 464 O GLN A 394 -4.034 -0.722 -6.993 1.00 0.00 O ATOM 465 CB GLN A 394 -2.277 -3.052 -8.343 1.00 0.00 C ATOM 466 CG GLN A 394 -0.988 -3.114 -9.173 1.00 0.00 C ATOM 467 CD GLN A 394 -0.196 -4.371 -8.795 1.00 0.00 C ATOM 468 OE1 GLN A 394 -0.369 -5.410 -9.400 1.00 0.00 O ATOM 469 NE2 GLN A 394 0.682 -4.325 -7.823 1.00 0.00 N ATOM 0 H GLN A 394 -1.211 -3.851 -6.261 1.00 0.00 H new ATOM 0 HA GLN A 394 -1.580 -1.180 -7.463 1.00 0.00 H new ATOM 0 HB2 GLN A 394 -2.538 -4.047 -7.984 1.00 0.00 H new ATOM 0 HB3 GLN A 394 -3.105 -2.709 -8.964 1.00 0.00 H new ATOM 0 HG2 GLN A 394 -1.228 -3.129 -10.236 1.00 0.00 H new ATOM 0 HG3 GLN A 394 -0.385 -2.224 -8.994 1.00 0.00 H new ATOM 0 HE21 GLN A 394 0.831 -3.455 -7.312 1.00 0.00 H new ATOM 0 HE22 GLN A 394 1.216 -5.159 -7.578 1.00 0.00 H new ATOM 478 N HIS A 395 -3.950 -2.414 -5.577 1.00 0.00 N ATOM 479 CA HIS A 395 -5.274 -2.031 -4.981 1.00 0.00 C ATOM 480 C HIS A 395 -5.073 -1.090 -3.781 1.00 0.00 C ATOM 481 O HIS A 395 -5.843 -0.169 -3.582 1.00 0.00 O ATOM 482 CB HIS A 395 -5.916 -3.340 -4.511 1.00 0.00 C ATOM 483 CG HIS A 395 -6.279 -4.186 -5.701 1.00 0.00 C ATOM 484 ND1 HIS A 395 -7.286 -5.137 -5.648 1.00 0.00 N ATOM 485 CD2 HIS A 395 -5.778 -4.242 -6.980 1.00 0.00 C ATOM 486 CE1 HIS A 395 -7.359 -5.720 -6.858 1.00 0.00 C ATOM 487 NE2 HIS A 395 -6.462 -5.212 -7.707 1.00 0.00 N ATOM 0 H HIS A 395 -3.509 -3.238 -5.168 1.00 0.00 H new ATOM 0 HA HIS A 395 -5.897 -1.508 -5.706 1.00 0.00 H new ATOM 0 HB2 HIS A 395 -5.226 -3.882 -3.865 1.00 0.00 H new ATOM 0 HB3 HIS A 395 -6.806 -3.127 -3.919 1.00 0.00 H new ATOM 0 HD2 HIS A 395 -4.976 -3.627 -7.362 1.00 0.00 H new ATOM 0 HE1 HIS A 395 -8.058 -6.503 -7.112 1.00 0.00 H new ATOM 0 HE2 HIS A 395 -6.311 -5.478 -8.680 1.00 0.00 H new ATOM 496 N PHE A 396 -4.053 -1.312 -2.975 1.00 0.00 N ATOM 497 CA PHE A 396 -3.830 -0.424 -1.790 1.00 0.00 C ATOM 498 C PHE A 396 -2.539 0.387 -1.962 1.00 0.00 C ATOM 499 O PHE A 396 -1.536 -0.127 -2.424 1.00 0.00 O ATOM 500 CB PHE A 396 -3.708 -1.367 -0.591 1.00 0.00 C ATOM 501 CG PHE A 396 -4.978 -2.170 -0.446 1.00 0.00 C ATOM 502 CD1 PHE A 396 -5.176 -3.330 -1.241 1.00 0.00 C ATOM 503 CD2 PHE A 396 -5.973 -1.766 0.484 1.00 0.00 C ATOM 504 CE1 PHE A 396 -6.370 -4.087 -1.108 1.00 0.00 C ATOM 505 CE2 PHE A 396 -7.168 -2.524 0.618 1.00 0.00 C ATOM 506 CZ PHE A 396 -7.366 -3.684 -0.177 1.00 0.00 C ATOM 0 H PHE A 396 -3.373 -2.064 -3.089 1.00 0.00 H new ATOM 0 HA PHE A 396 -4.642 0.292 -1.664 1.00 0.00 H new ATOM 0 HB2 PHE A 396 -2.857 -2.035 -0.726 1.00 0.00 H new ATOM 0 HB3 PHE A 396 -3.522 -0.794 0.318 1.00 0.00 H new ATOM 0 HD1 PHE A 396 -4.418 -3.636 -1.947 1.00 0.00 H new ATOM 0 HD2 PHE A 396 -5.822 -0.884 1.089 1.00 0.00 H new ATOM 0 HE1 PHE A 396 -6.521 -4.968 -1.714 1.00 0.00 H new ATOM 0 HE2 PHE A 396 -7.925 -2.218 1.324 1.00 0.00 H new ATOM 0 HZ PHE A 396 -8.274 -4.260 -0.074 1.00 0.00 H new ATOM 516 N SER A 397 -2.555 1.654 -1.604 1.00 0.00 N ATOM 517 CA SER A 397 -1.326 2.491 -1.764 1.00 0.00 C ATOM 518 C SER A 397 -0.469 2.468 -0.492 1.00 0.00 C ATOM 519 O SER A 397 -0.891 1.999 0.549 1.00 0.00 O ATOM 520 CB SER A 397 -1.802 3.921 -2.050 1.00 0.00 C ATOM 521 OG SER A 397 -0.874 4.559 -2.918 1.00 0.00 O ATOM 0 H SER A 397 -3.362 2.138 -1.211 1.00 0.00 H new ATOM 0 HA SER A 397 -0.707 2.105 -2.574 1.00 0.00 H new ATOM 0 HB2 SER A 397 -2.792 3.903 -2.506 1.00 0.00 H new ATOM 0 HB3 SER A 397 -1.891 4.480 -1.119 1.00 0.00 H new ATOM 0 HG SER A 397 -1.360 5.097 -3.578 1.00 0.00 H new ATOM 527 N HIS A 398 0.742 2.970 -0.584 1.00 0.00 N ATOM 528 CA HIS A 398 1.650 2.983 0.594 1.00 0.00 C ATOM 529 C HIS A 398 2.450 4.293 0.615 1.00 0.00 C ATOM 530 O HIS A 398 2.577 4.945 -0.400 1.00 0.00 O ATOM 531 CB HIS A 398 2.583 1.783 0.398 1.00 0.00 C ATOM 532 CG HIS A 398 1.782 0.504 0.402 1.00 0.00 C ATOM 533 ND1 HIS A 398 1.422 -0.148 -0.770 1.00 0.00 N ATOM 534 CD2 HIS A 398 1.274 -0.259 1.425 1.00 0.00 C ATOM 535 CE1 HIS A 398 0.728 -1.251 -0.426 1.00 0.00 C ATOM 536 NE2 HIS A 398 0.609 -1.366 0.902 1.00 0.00 N ATOM 0 H HIS A 398 1.137 3.373 -1.434 1.00 0.00 H new ATOM 0 HA HIS A 398 1.109 2.919 1.538 1.00 0.00 H new ATOM 0 HB2 HIS A 398 3.123 1.881 -0.544 1.00 0.00 H new ATOM 0 HB3 HIS A 398 3.329 1.758 1.192 1.00 0.00 H new ATOM 0 HD1 HIS A 398 1.643 0.153 -1.719 1.00 0.00 H new ATOM 0 HD2 HIS A 398 1.375 -0.035 2.477 1.00 0.00 H new ATOM 0 HE1 HIS A 398 0.318 -1.955 -1.135 1.00 0.00 H new ATOM 544 N PRO A 399 2.974 4.647 1.770 1.00 0.00 N ATOM 545 CA PRO A 399 3.769 5.899 1.884 1.00 0.00 C ATOM 546 C PRO A 399 4.991 5.789 0.965 1.00 0.00 C ATOM 547 O PRO A 399 5.573 4.725 0.836 1.00 0.00 O ATOM 548 CB PRO A 399 4.146 5.949 3.366 1.00 0.00 C ATOM 549 CG PRO A 399 4.069 4.528 3.810 1.00 0.00 C ATOM 550 CD PRO A 399 2.915 3.934 3.051 1.00 0.00 C ATOM 0 HA PRO A 399 3.245 6.806 1.583 1.00 0.00 H new ATOM 0 HB2 PRO A 399 5.146 6.357 3.509 1.00 0.00 H new ATOM 0 HB3 PRO A 399 3.460 6.581 3.931 1.00 0.00 H new ATOM 0 HG2 PRO A 399 4.996 3.998 3.593 1.00 0.00 H new ATOM 0 HG3 PRO A 399 3.908 4.461 4.886 1.00 0.00 H new ATOM 0 HD2 PRO A 399 3.026 2.857 2.921 1.00 0.00 H new ATOM 0 HD3 PRO A 399 1.966 4.097 3.562 1.00 0.00 H new ATOM 558 N GLY A 400 5.356 6.852 0.285 1.00 0.00 N ATOM 559 CA GLY A 400 6.498 6.762 -0.665 1.00 0.00 C ATOM 560 C GLY A 400 5.966 6.548 -2.103 1.00 0.00 C ATOM 561 O GLY A 400 6.738 6.520 -3.043 1.00 0.00 O ATOM 0 H GLY A 400 4.913 7.768 0.350 1.00 0.00 H new ATOM 0 HA2 GLY A 400 7.094 7.674 -0.619 1.00 0.00 H new ATOM 0 HA3 GLY A 400 7.154 5.938 -0.383 1.00 0.00 H new ATOM 565 N ASP A 401 4.655 6.424 -2.299 1.00 0.00 N ATOM 566 CA ASP A 401 4.120 6.247 -3.675 1.00 0.00 C ATOM 567 C ASP A 401 3.428 7.547 -4.090 1.00 0.00 C ATOM 568 O ASP A 401 2.836 8.222 -3.265 1.00 0.00 O ATOM 569 CB ASP A 401 3.110 5.102 -3.589 1.00 0.00 C ATOM 570 CG ASP A 401 3.854 3.766 -3.592 1.00 0.00 C ATOM 571 OD1 ASP A 401 4.509 3.478 -4.581 1.00 0.00 O ATOM 572 OD2 ASP A 401 3.756 3.055 -2.607 1.00 0.00 O ATOM 0 H ASP A 401 3.953 6.440 -1.560 1.00 0.00 H new ATOM 0 HA ASP A 401 4.895 6.020 -4.407 1.00 0.00 H new ATOM 0 HB2 ASP A 401 2.513 5.196 -2.682 1.00 0.00 H new ATOM 0 HB3 ASP A 401 2.419 5.148 -4.431 1.00 0.00 H new ATOM 577 N SER A 402 3.505 7.921 -5.346 1.00 0.00 N ATOM 578 CA SER A 402 2.851 9.207 -5.776 1.00 0.00 C ATOM 579 C SER A 402 1.358 9.239 -5.409 1.00 0.00 C ATOM 580 O SER A 402 0.787 10.308 -5.295 1.00 0.00 O ATOM 581 CB SER A 402 3.017 9.301 -7.298 1.00 0.00 C ATOM 582 OG SER A 402 2.933 10.662 -7.695 1.00 0.00 O ATOM 0 H SER A 402 3.983 7.404 -6.084 1.00 0.00 H new ATOM 0 HA SER A 402 3.318 10.049 -5.266 1.00 0.00 H new ATOM 0 HB2 SER A 402 3.977 8.881 -7.597 1.00 0.00 H new ATOM 0 HB3 SER A 402 2.244 8.716 -7.797 1.00 0.00 H new ATOM 0 HG SER A 402 3.040 10.726 -8.667 1.00 0.00 H new ATOM 588 N ASP A 403 0.697 8.103 -5.248 1.00 0.00 N ATOM 589 CA ASP A 403 -0.766 8.152 -4.922 1.00 0.00 C ATOM 590 C ASP A 403 -1.068 7.817 -3.447 1.00 0.00 C ATOM 591 O ASP A 403 -2.223 7.670 -3.101 1.00 0.00 O ATOM 592 CB ASP A 403 -1.431 7.113 -5.838 1.00 0.00 C ATOM 593 CG ASP A 403 -1.095 7.412 -7.302 1.00 0.00 C ATOM 594 OD1 ASP A 403 -1.688 8.327 -7.851 1.00 0.00 O ATOM 595 OD2 ASP A 403 -0.249 6.723 -7.847 1.00 0.00 O ATOM 0 H ASP A 403 1.101 7.170 -5.327 1.00 0.00 H new ATOM 0 HA ASP A 403 -1.144 9.162 -5.078 1.00 0.00 H new ATOM 0 HB2 ASP A 403 -1.088 6.112 -5.575 1.00 0.00 H new ATOM 0 HB3 ASP A 403 -2.511 7.128 -5.694 1.00 0.00 H new ATOM 600 N TYR A 404 -0.075 7.670 -2.569 1.00 0.00 N ATOM 601 CA TYR A 404 -0.390 7.324 -1.120 1.00 0.00 C ATOM 602 C TYR A 404 -1.538 8.201 -0.583 1.00 0.00 C ATOM 603 O TYR A 404 -1.441 9.412 -0.562 1.00 0.00 O ATOM 604 CB TYR A 404 0.890 7.593 -0.306 1.00 0.00 C ATOM 605 CG TYR A 404 0.670 7.218 1.147 1.00 0.00 C ATOM 606 CD1 TYR A 404 0.104 5.958 1.487 1.00 0.00 C ATOM 607 CD2 TYR A 404 1.028 8.133 2.175 1.00 0.00 C ATOM 608 CE1 TYR A 404 -0.104 5.615 2.851 1.00 0.00 C ATOM 609 CE2 TYR A 404 0.821 7.791 3.539 1.00 0.00 C ATOM 610 CZ TYR A 404 0.254 6.531 3.877 1.00 0.00 C ATOM 611 OH TYR A 404 0.053 6.199 5.202 1.00 0.00 O ATOM 0 H TYR A 404 0.916 7.772 -2.787 1.00 0.00 H new ATOM 0 HA TYR A 404 -0.704 6.283 -1.040 1.00 0.00 H new ATOM 0 HB2 TYR A 404 1.720 7.018 -0.717 1.00 0.00 H new ATOM 0 HB3 TYR A 404 1.164 8.645 -0.381 1.00 0.00 H new ATOM 0 HD1 TYR A 404 -0.168 5.261 0.708 1.00 0.00 H new ATOM 0 HD2 TYR A 404 1.458 9.090 1.919 1.00 0.00 H new ATOM 0 HE1 TYR A 404 -0.534 4.658 3.108 1.00 0.00 H new ATOM 0 HE2 TYR A 404 1.094 8.487 4.318 1.00 0.00 H new ATOM 0 HH TYR A 404 0.353 6.937 5.773 1.00 0.00 H new ATOM 621 N GLY A 405 -2.628 7.591 -0.159 1.00 0.00 N ATOM 622 CA GLY A 405 -3.788 8.382 0.361 1.00 0.00 C ATOM 623 C GLY A 405 -3.332 9.378 1.434 1.00 0.00 C ATOM 624 O GLY A 405 -3.833 10.486 1.500 1.00 0.00 O ATOM 0 H GLY A 405 -2.759 6.580 -0.153 1.00 0.00 H new ATOM 0 HA2 GLY A 405 -4.265 8.918 -0.459 1.00 0.00 H new ATOM 0 HA3 GLY A 405 -4.535 7.708 0.779 1.00 0.00 H new ATOM 628 N GLY A 406 -2.373 9.014 2.257 1.00 0.00 N ATOM 629 CA GLY A 406 -1.884 9.963 3.294 1.00 0.00 C ATOM 630 C GLY A 406 -2.802 9.968 4.507 1.00 0.00 C ATOM 631 O GLY A 406 -3.235 11.013 4.954 1.00 0.00 O ATOM 0 H GLY A 406 -1.914 8.103 2.250 1.00 0.00 H new ATOM 0 HA2 GLY A 406 -0.875 9.686 3.599 1.00 0.00 H new ATOM 0 HA3 GLY A 406 -1.825 10.967 2.874 1.00 0.00 H new ATOM 635 N VAL A 407 -3.096 8.814 5.065 1.00 0.00 N ATOM 636 CA VAL A 407 -3.972 8.753 6.266 1.00 0.00 C ATOM 637 C VAL A 407 -5.293 9.516 6.028 1.00 0.00 C ATOM 638 O VAL A 407 -5.413 10.678 6.363 1.00 0.00 O ATOM 639 CB VAL A 407 -3.131 9.390 7.376 1.00 0.00 C ATOM 640 CG1 VAL A 407 -3.948 9.507 8.668 1.00 0.00 C ATOM 641 CG2 VAL A 407 -1.899 8.518 7.631 1.00 0.00 C ATOM 0 H VAL A 407 -2.761 7.910 4.732 1.00 0.00 H new ATOM 0 HA VAL A 407 -4.274 7.737 6.519 1.00 0.00 H new ATOM 0 HB VAL A 407 -2.826 10.389 7.064 1.00 0.00 H new ATOM 0 HG11 VAL A 407 -3.335 9.962 9.446 1.00 0.00 H new ATOM 0 HG12 VAL A 407 -4.826 10.128 8.488 1.00 0.00 H new ATOM 0 HG13 VAL A 407 -4.265 8.515 8.989 1.00 0.00 H new ATOM 0 HG21 VAL A 407 -1.294 8.964 8.420 1.00 0.00 H new ATOM 0 HG22 VAL A 407 -2.216 7.521 7.937 1.00 0.00 H new ATOM 0 HG23 VAL A 407 -1.308 8.447 6.718 1.00 0.00 H new ATOM 651 N GLN A 408 -6.281 8.866 5.449 1.00 0.00 N ATOM 652 CA GLN A 408 -7.595 9.554 5.190 1.00 0.00 C ATOM 653 C GLN A 408 -8.693 8.528 4.835 1.00 0.00 C ATOM 654 O GLN A 408 -9.028 8.347 3.682 1.00 0.00 O ATOM 655 CB GLN A 408 -7.377 10.543 4.015 1.00 0.00 C ATOM 656 CG GLN A 408 -6.276 10.074 3.038 1.00 0.00 C ATOM 657 CD GLN A 408 -6.674 8.743 2.385 1.00 0.00 C ATOM 658 OE1 GLN A 408 -7.653 8.680 1.668 1.00 0.00 O ATOM 659 NE2 GLN A 408 -5.943 7.672 2.581 1.00 0.00 N ATOM 0 H GLN A 408 -6.236 7.893 5.146 1.00 0.00 H new ATOM 0 HA GLN A 408 -7.926 10.084 6.083 1.00 0.00 H new ATOM 0 HB2 GLN A 408 -8.313 10.665 3.470 1.00 0.00 H new ATOM 0 HB3 GLN A 408 -7.110 11.522 4.414 1.00 0.00 H new ATOM 0 HG2 GLN A 408 -6.116 10.830 2.270 1.00 0.00 H new ATOM 0 HG3 GLN A 408 -5.333 9.957 3.571 1.00 0.00 H new ATOM 0 HE21 GLN A 408 -5.120 7.719 3.182 1.00 0.00 H new ATOM 0 HE22 GLN A 408 -6.197 6.792 2.133 1.00 0.00 H new ATOM 668 N ILE A 409 -9.264 7.862 5.818 1.00 0.00 N ATOM 669 CA ILE A 409 -10.341 6.857 5.513 1.00 0.00 C ATOM 670 C ILE A 409 -11.729 7.473 5.755 1.00 0.00 C ATOM 671 O ILE A 409 -12.404 7.137 6.711 1.00 0.00 O ATOM 672 CB ILE A 409 -10.092 5.676 6.464 1.00 0.00 C ATOM 673 CG1 ILE A 409 -8.693 5.104 6.209 1.00 0.00 C ATOM 674 CG2 ILE A 409 -11.144 4.583 6.227 1.00 0.00 C ATOM 675 CD1 ILE A 409 -8.260 4.258 7.407 1.00 0.00 C ATOM 0 H ILE A 409 -9.035 7.969 6.806 1.00 0.00 H new ATOM 0 HA ILE A 409 -10.315 6.538 4.471 1.00 0.00 H new ATOM 0 HB ILE A 409 -10.164 6.023 7.495 1.00 0.00 H new ATOM 0 HG12 ILE A 409 -8.697 4.497 5.304 1.00 0.00 H new ATOM 0 HG13 ILE A 409 -7.982 5.914 6.046 1.00 0.00 H new ATOM 0 HG21 ILE A 409 -10.961 3.749 6.905 1.00 0.00 H new ATOM 0 HG22 ILE A 409 -12.139 4.989 6.411 1.00 0.00 H new ATOM 0 HG23 ILE A 409 -11.080 4.234 5.196 1.00 0.00 H new ATOM 0 HD11 ILE A 409 -7.265 3.852 7.225 1.00 0.00 H new ATOM 0 HD12 ILE A 409 -8.240 4.879 8.303 1.00 0.00 H new ATOM 0 HD13 ILE A 409 -8.966 3.440 7.549 1.00 0.00 H new ATOM 687 N VAL A 410 -12.166 8.363 4.888 1.00 0.00 N ATOM 688 CA VAL A 410 -13.513 8.986 5.057 1.00 0.00 C ATOM 689 C VAL A 410 -14.363 8.678 3.817 1.00 0.00 C ATOM 690 O VAL A 410 -14.638 9.551 3.014 1.00 0.00 O ATOM 691 CB VAL A 410 -13.252 10.492 5.176 1.00 0.00 C ATOM 692 CG1 VAL A 410 -14.580 11.227 5.376 1.00 0.00 C ATOM 693 CG2 VAL A 410 -12.338 10.763 6.375 1.00 0.00 C ATOM 0 H VAL A 410 -11.643 8.681 4.072 1.00 0.00 H new ATOM 0 HA VAL A 410 -14.048 8.609 5.929 1.00 0.00 H new ATOM 0 HB VAL A 410 -12.771 10.847 4.264 1.00 0.00 H new ATOM 0 HG11 VAL A 410 -14.394 12.298 5.461 1.00 0.00 H new ATOM 0 HG12 VAL A 410 -15.232 11.038 4.523 1.00 0.00 H new ATOM 0 HG13 VAL A 410 -15.060 10.869 6.287 1.00 0.00 H new ATOM 0 HG21 VAL A 410 -12.154 11.834 6.457 1.00 0.00 H new ATOM 0 HG22 VAL A 410 -12.818 10.406 7.286 1.00 0.00 H new ATOM 0 HG23 VAL A 410 -11.391 10.242 6.236 1.00 0.00 H new ATOM 703 N GLY A 411 -14.764 7.436 3.640 1.00 0.00 N ATOM 704 CA GLY A 411 -15.568 7.070 2.440 1.00 0.00 C ATOM 705 C GLY A 411 -14.620 6.498 1.380 1.00 0.00 C ATOM 706 O GLY A 411 -14.581 6.962 0.258 1.00 0.00 O ATOM 0 H GLY A 411 -14.566 6.666 4.279 1.00 0.00 H new ATOM 0 HA2 GLY A 411 -16.330 6.336 2.703 1.00 0.00 H new ATOM 0 HA3 GLY A 411 -16.089 7.945 2.051 1.00 0.00 H new ATOM 710 N GLN A 412 -13.840 5.494 1.739 1.00 0.00 N ATOM 711 CA GLN A 412 -12.866 4.887 0.753 1.00 0.00 C ATOM 712 C GLN A 412 -13.573 4.568 -0.579 1.00 0.00 C ATOM 713 O GLN A 412 -13.237 5.122 -1.609 1.00 0.00 O ATOM 714 CB GLN A 412 -12.355 3.582 1.388 1.00 0.00 C ATOM 715 CG GLN A 412 -11.508 3.902 2.625 1.00 0.00 C ATOM 716 CD GLN A 412 -11.753 2.840 3.705 1.00 0.00 C ATOM 717 OE1 GLN A 412 -10.891 2.027 3.972 1.00 0.00 O ATOM 718 NE2 GLN A 412 -12.899 2.806 4.345 1.00 0.00 N ATOM 0 H GLN A 412 -13.834 5.069 2.666 1.00 0.00 H new ATOM 0 HA GLN A 412 -12.051 5.579 0.541 1.00 0.00 H new ATOM 0 HB2 GLN A 412 -13.197 2.949 1.667 1.00 0.00 H new ATOM 0 HB3 GLN A 412 -11.762 3.023 0.664 1.00 0.00 H new ATOM 0 HG2 GLN A 412 -10.451 3.927 2.358 1.00 0.00 H new ATOM 0 HG3 GLN A 412 -11.764 4.890 3.008 1.00 0.00 H new ATOM 0 HE21 GLN A 412 -13.626 3.486 4.125 1.00 0.00 H new ATOM 0 HE22 GLN A 412 -13.062 2.099 5.062 1.00 0.00 H new ATOM 727 N ASP A 413 -14.554 3.688 -0.563 1.00 0.00 N ATOM 728 CA ASP A 413 -15.279 3.350 -1.823 1.00 0.00 C ATOM 729 C ASP A 413 -16.797 3.305 -1.571 1.00 0.00 C ATOM 730 O ASP A 413 -17.500 2.508 -2.164 1.00 0.00 O ATOM 731 CB ASP A 413 -14.762 1.965 -2.217 1.00 0.00 C ATOM 732 CG ASP A 413 -15.026 1.725 -3.705 1.00 0.00 C ATOM 733 OD1 ASP A 413 -14.168 2.069 -4.500 1.00 0.00 O ATOM 734 OD2 ASP A 413 -16.081 1.202 -4.022 1.00 0.00 O ATOM 0 H ASP A 413 -14.878 3.194 0.269 1.00 0.00 H new ATOM 0 HA ASP A 413 -15.110 4.089 -2.606 1.00 0.00 H new ATOM 0 HB2 ASP A 413 -13.694 1.891 -2.010 1.00 0.00 H new ATOM 0 HB3 ASP A 413 -15.256 1.198 -1.621 1.00 0.00 H new ATOM 739 N GLU A 414 -17.314 4.153 -0.699 1.00 0.00 N ATOM 740 CA GLU A 414 -18.782 4.143 -0.427 1.00 0.00 C ATOM 741 C GLU A 414 -19.357 5.561 -0.575 1.00 0.00 C ATOM 742 O GLU A 414 -19.759 6.176 0.395 1.00 0.00 O ATOM 743 CB GLU A 414 -18.914 3.653 1.017 1.00 0.00 C ATOM 744 CG GLU A 414 -20.276 2.986 1.209 1.00 0.00 C ATOM 745 CD GLU A 414 -20.588 2.880 2.702 1.00 0.00 C ATOM 746 OE1 GLU A 414 -19.704 2.488 3.446 1.00 0.00 O ATOM 747 OE2 GLU A 414 -21.706 3.192 3.078 1.00 0.00 O ATOM 0 H GLU A 414 -16.780 4.844 -0.172 1.00 0.00 H new ATOM 0 HA GLU A 414 -19.329 3.506 -1.122 1.00 0.00 H new ATOM 0 HB2 GLU A 414 -18.116 2.947 1.246 1.00 0.00 H new ATOM 0 HB3 GLU A 414 -18.807 4.490 1.707 1.00 0.00 H new ATOM 0 HG2 GLU A 414 -21.050 3.565 0.705 1.00 0.00 H new ATOM 0 HG3 GLU A 414 -20.274 1.995 0.756 1.00 0.00 H new ATOM 754 N THR A 415 -19.402 6.088 -1.783 1.00 0.00 N ATOM 755 CA THR A 415 -19.954 7.462 -1.979 1.00 0.00 C ATOM 756 C THR A 415 -21.282 7.389 -2.746 1.00 0.00 C ATOM 757 O THR A 415 -21.392 7.877 -3.856 1.00 0.00 O ATOM 758 CB THR A 415 -18.896 8.220 -2.791 1.00 0.00 C ATOM 759 OG1 THR A 415 -18.042 7.294 -3.451 1.00 0.00 O ATOM 760 CG2 THR A 415 -18.070 9.102 -1.854 1.00 0.00 C ATOM 0 H THR A 415 -19.081 5.624 -2.633 1.00 0.00 H new ATOM 0 HA THR A 415 -20.159 7.961 -1.032 1.00 0.00 H new ATOM 0 HB THR A 415 -19.391 8.844 -3.535 1.00 0.00 H new ATOM 0 HG1 THR A 415 -17.369 7.782 -3.970 1.00 0.00 H new ATOM 0 HG21 THR A 415 -17.318 9.641 -2.430 1.00 0.00 H new ATOM 0 HG22 THR A 415 -18.725 9.816 -1.355 1.00 0.00 H new ATOM 0 HG23 THR A 415 -17.577 8.479 -1.108 1.00 0.00 H new ATOM 768 N ASP A 416 -22.294 6.782 -2.163 1.00 0.00 N ATOM 769 CA ASP A 416 -23.612 6.682 -2.860 1.00 0.00 C ATOM 770 C ASP A 416 -24.681 7.472 -2.091 1.00 0.00 C ATOM 771 O ASP A 416 -25.796 7.011 -1.928 1.00 0.00 O ATOM 772 CB ASP A 416 -23.947 5.189 -2.865 1.00 0.00 C ATOM 773 CG ASP A 416 -25.034 4.913 -3.906 1.00 0.00 C ATOM 774 OD1 ASP A 416 -24.699 4.827 -5.076 1.00 0.00 O ATOM 775 OD2 ASP A 416 -26.183 4.793 -3.515 1.00 0.00 O ATOM 0 H ASP A 416 -22.260 6.354 -1.238 1.00 0.00 H new ATOM 0 HA ASP A 416 -23.577 7.095 -3.868 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -23.055 4.606 -3.092 1.00 0.00 H new ATOM 0 HB3 ASP A 416 -24.287 4.879 -1.877 1.00 0.00 H new ATOM 780 N ASP A 417 -24.356 8.657 -1.614 1.00 0.00 N ATOM 781 CA ASP A 417 -25.362 9.463 -0.859 1.00 0.00 C ATOM 782 C ASP A 417 -25.643 10.778 -1.591 1.00 0.00 C ATOM 783 O ASP A 417 -26.687 11.359 -1.345 1.00 0.00 O ATOM 784 CB ASP A 417 -24.713 9.733 0.499 1.00 0.00 C ATOM 785 CG ASP A 417 -24.903 8.516 1.406 1.00 0.00 C ATOM 786 OD1 ASP A 417 -24.104 7.599 1.310 1.00 0.00 O ATOM 787 OD2 ASP A 417 -25.843 8.522 2.183 1.00 0.00 O ATOM 0 H ASP A 417 -23.440 9.094 -1.717 1.00 0.00 H new ATOM 0 HA ASP A 417 -26.316 8.945 -0.759 1.00 0.00 H new ATOM 0 HB2 ASP A 417 -23.651 9.942 0.371 1.00 0.00 H new ATOM 0 HB3 ASP A 417 -25.159 10.615 0.958 1.00 0.00 H new TER 792 ASP A 417 HETATM 793 ZN ZN A1001 -0.358 -2.831 2.001 1.00 0.00 ZN