USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=11 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 Single : A 367 SER OG : rot -68:sc= 0.347 USER MOD Single : A 369 SER OG : rot 30:sc= 0.0639 USER MOD Single : A 372 ASN : amide:sc= -0.0159 K(o=-0.016,f=-0.88) USER MOD Single : A 373 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 378 SER OG : rot 180:sc= 0 USER MOD Single : A 380 MET CE :methyl 167:sc= -0.0512 (180deg=-0.277) USER MOD Single : A 381 TYR OH : rot -117:sc= 0.937 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 X(o=0,f=0) USER MOD Single : A 394 GLN : amide:sc= -1.8 X(o=-1.8,f=-2.1!) USER MOD Single : A 395 HIS : no HD1:sc= -0.89 X(o=-0.89,f=-0.81) USER MOD Single : A 397 SER OG : rot -80:sc= 0 USER MOD Single : A 402 SER OG : rot 180:sc= 0 USER MOD Single : A 404 TYR OH : rot -62:sc= 1.19 USER MOD Single : A 408 GLN : amide:sc= -0.29 X(o=-0.29,f=-0.15) USER MOD Single : A 412 GLN : amide:sc= -4.89! C(o=-4.9!,f=-7.2!) USER MOD Single : A 415 THR OG1 : rot 180:sc= 0.0639 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 363 0.768 -17.745 -16.151 1.00 0.00 N ATOM 2 CA GLY A 363 0.248 -18.221 -17.465 1.00 0.00 C ATOM 3 C GLY A 363 -0.776 -17.213 -18.007 1.00 0.00 C ATOM 4 O GLY A 363 -0.419 -16.319 -18.748 1.00 0.00 O ATOM 0 HA2 GLY A 363 1.069 -18.337 -18.172 1.00 0.00 H new ATOM 0 HA3 GLY A 363 -0.216 -19.201 -17.351 1.00 0.00 H new ATOM 10 N PRO A 364 -2.024 -17.381 -17.622 1.00 0.00 N ATOM 11 CA PRO A 364 -3.085 -16.457 -18.095 1.00 0.00 C ATOM 12 C PRO A 364 -2.952 -15.090 -17.403 1.00 0.00 C ATOM 13 O PRO A 364 -2.215 -14.950 -16.446 1.00 0.00 O ATOM 14 CB PRO A 364 -4.380 -17.150 -17.683 1.00 0.00 C ATOM 15 CG PRO A 364 -4.003 -18.027 -16.532 1.00 0.00 C ATOM 16 CD PRO A 364 -2.565 -18.424 -16.732 1.00 0.00 C ATOM 0 HA PRO A 364 -3.036 -16.263 -19.166 1.00 0.00 H new ATOM 0 HB2 PRO A 364 -5.140 -16.425 -17.394 1.00 0.00 H new ATOM 0 HB3 PRO A 364 -4.793 -17.734 -18.505 1.00 0.00 H new ATOM 0 HG2 PRO A 364 -4.129 -17.498 -15.587 1.00 0.00 H new ATOM 0 HG3 PRO A 364 -4.644 -18.908 -16.492 1.00 0.00 H new ATOM 0 HD2 PRO A 364 -2.026 -18.459 -15.785 1.00 0.00 H new ATOM 0 HD3 PRO A 364 -2.484 -19.413 -17.182 1.00 0.00 H new ATOM 24 N LEU A 365 -3.659 -14.082 -17.876 1.00 0.00 N ATOM 25 CA LEU A 365 -3.562 -12.735 -17.237 1.00 0.00 C ATOM 26 C LEU A 365 -4.966 -12.148 -17.020 1.00 0.00 C ATOM 27 O LEU A 365 -5.954 -12.746 -17.403 1.00 0.00 O ATOM 28 CB LEU A 365 -2.772 -11.882 -18.230 1.00 0.00 C ATOM 29 CG LEU A 365 -1.343 -12.418 -18.340 1.00 0.00 C ATOM 30 CD1 LEU A 365 -0.634 -11.743 -19.515 1.00 0.00 C ATOM 31 CD2 LEU A 365 -0.585 -12.115 -17.045 1.00 0.00 C ATOM 0 H LEU A 365 -4.294 -14.140 -18.673 1.00 0.00 H new ATOM 0 HA LEU A 365 -3.080 -12.775 -16.260 1.00 0.00 H new ATOM 0 HB2 LEU A 365 -3.255 -11.901 -19.207 1.00 0.00 H new ATOM 0 HB3 LEU A 365 -2.758 -10.843 -17.902 1.00 0.00 H new ATOM 0 HG LEU A 365 -1.370 -13.495 -18.503 1.00 0.00 H new ATOM 0 HD11 LEU A 365 0.384 -12.125 -19.594 1.00 0.00 H new ATOM 0 HD12 LEU A 365 -1.174 -11.957 -20.437 1.00 0.00 H new ATOM 0 HD13 LEU A 365 -0.606 -10.666 -19.353 1.00 0.00 H new ATOM 0 HD21 LEU A 365 0.433 -12.496 -17.122 1.00 0.00 H new ATOM 0 HD22 LEU A 365 -0.558 -11.037 -16.883 1.00 0.00 H new ATOM 0 HD23 LEU A 365 -1.090 -12.595 -16.207 1.00 0.00 H new ATOM 43 N GLY A 366 -5.065 -10.983 -16.411 1.00 0.00 N ATOM 44 CA GLY A 366 -6.407 -10.373 -16.178 1.00 0.00 C ATOM 45 C GLY A 366 -6.789 -10.521 -14.699 1.00 0.00 C ATOM 46 O GLY A 366 -7.807 -11.104 -14.376 1.00 0.00 O ATOM 0 H GLY A 366 -4.275 -10.436 -16.069 1.00 0.00 H new ATOM 0 HA2 GLY A 366 -6.392 -9.319 -16.457 1.00 0.00 H new ATOM 0 HA3 GLY A 366 -7.153 -10.859 -16.807 1.00 0.00 H new ATOM 50 N SER A 367 -5.985 -10.001 -13.793 1.00 0.00 N ATOM 51 CA SER A 367 -6.314 -10.120 -12.341 1.00 0.00 C ATOM 52 C SER A 367 -5.907 -8.840 -11.593 1.00 0.00 C ATOM 53 O SER A 367 -4.763 -8.686 -11.207 1.00 0.00 O ATOM 54 CB SER A 367 -5.496 -11.313 -11.847 1.00 0.00 C ATOM 55 OG SER A 367 -5.258 -11.173 -10.453 1.00 0.00 O ATOM 0 H SER A 367 -5.120 -9.502 -14.002 1.00 0.00 H new ATOM 0 HA SER A 367 -7.382 -10.258 -12.171 1.00 0.00 H new ATOM 0 HB2 SER A 367 -6.030 -12.242 -12.045 1.00 0.00 H new ATOM 0 HB3 SER A 367 -4.550 -11.368 -12.386 1.00 0.00 H new ATOM 0 HG SER A 367 -4.659 -10.413 -10.298 1.00 0.00 H new ATOM 61 N GLY A 368 -6.829 -7.921 -11.385 1.00 0.00 N ATOM 62 CA GLY A 368 -6.480 -6.662 -10.664 1.00 0.00 C ATOM 63 C GLY A 368 -6.176 -5.553 -11.681 1.00 0.00 C ATOM 64 O GLY A 368 -5.339 -5.721 -12.549 1.00 0.00 O ATOM 0 H GLY A 368 -7.801 -7.994 -11.684 1.00 0.00 H new ATOM 0 HA2 GLY A 368 -7.304 -6.361 -10.018 1.00 0.00 H new ATOM 0 HA3 GLY A 368 -5.615 -6.827 -10.021 1.00 0.00 H new ATOM 68 N SER A 369 -6.846 -4.421 -11.588 1.00 0.00 N ATOM 69 CA SER A 369 -6.582 -3.315 -12.560 1.00 0.00 C ATOM 70 C SER A 369 -6.734 -1.947 -11.872 1.00 0.00 C ATOM 71 O SER A 369 -7.557 -1.139 -12.264 1.00 0.00 O ATOM 72 CB SER A 369 -7.636 -3.490 -13.653 1.00 0.00 C ATOM 73 OG SER A 369 -7.093 -4.273 -14.708 1.00 0.00 O ATOM 0 H SER A 369 -7.558 -4.221 -10.885 1.00 0.00 H new ATOM 0 HA SER A 369 -5.569 -3.352 -12.961 1.00 0.00 H new ATOM 0 HB2 SER A 369 -8.523 -3.974 -13.245 1.00 0.00 H new ATOM 0 HB3 SER A 369 -7.950 -2.517 -14.031 1.00 0.00 H new ATOM 0 HG SER A 369 -6.423 -4.890 -14.346 1.00 0.00 H new ATOM 79 N GLU A 370 -5.946 -1.674 -10.851 1.00 0.00 N ATOM 80 CA GLU A 370 -6.051 -0.357 -10.152 1.00 0.00 C ATOM 81 C GLU A 370 -4.657 0.136 -9.737 1.00 0.00 C ATOM 82 O GLU A 370 -4.469 0.606 -8.631 1.00 0.00 O ATOM 83 CB GLU A 370 -6.908 -0.631 -8.915 1.00 0.00 C ATOM 84 CG GLU A 370 -8.388 -0.497 -9.279 1.00 0.00 C ATOM 85 CD GLU A 370 -8.922 -1.849 -9.755 1.00 0.00 C ATOM 86 OE1 GLU A 370 -8.545 -2.852 -9.171 1.00 0.00 O ATOM 87 OE2 GLU A 370 -9.699 -1.860 -10.697 1.00 0.00 O ATOM 0 H GLU A 370 -5.239 -2.307 -10.477 1.00 0.00 H new ATOM 0 HA GLU A 370 -6.486 0.413 -10.789 1.00 0.00 H new ATOM 0 HB2 GLU A 370 -6.706 -1.632 -8.534 1.00 0.00 H new ATOM 0 HB3 GLU A 370 -6.653 0.070 -8.120 1.00 0.00 H new ATOM 0 HG2 GLU A 370 -8.956 -0.154 -8.414 1.00 0.00 H new ATOM 0 HG3 GLU A 370 -8.515 0.252 -10.061 1.00 0.00 H new ATOM 94 N GLY A 371 -3.674 0.033 -10.611 1.00 0.00 N ATOM 95 CA GLY A 371 -2.300 0.497 -10.247 1.00 0.00 C ATOM 96 C GLY A 371 -1.585 1.044 -11.494 1.00 0.00 C ATOM 97 O GLY A 371 -0.406 0.810 -11.685 1.00 0.00 O ATOM 0 H GLY A 371 -3.769 -0.350 -11.552 1.00 0.00 H new ATOM 0 HA2 GLY A 371 -2.359 1.271 -9.482 1.00 0.00 H new ATOM 0 HA3 GLY A 371 -1.729 -0.328 -9.822 1.00 0.00 H new ATOM 101 N ASN A 372 -2.284 1.769 -12.343 1.00 0.00 N ATOM 102 CA ASN A 372 -1.634 2.322 -13.568 1.00 0.00 C ATOM 103 C ASN A 372 -1.872 3.838 -13.653 1.00 0.00 C ATOM 104 O ASN A 372 -0.934 4.612 -13.682 1.00 0.00 O ATOM 105 CB ASN A 372 -2.313 1.606 -14.735 1.00 0.00 C ATOM 106 CG ASN A 372 -1.849 0.144 -14.778 1.00 0.00 C ATOM 107 OD1 ASN A 372 -0.698 -0.144 -14.519 1.00 0.00 O ATOM 108 ND2 ASN A 372 -2.698 -0.802 -15.099 1.00 0.00 N ATOM 0 H ASN A 372 -3.272 1.998 -12.236 1.00 0.00 H new ATOM 0 HA ASN A 372 -0.555 2.168 -13.570 1.00 0.00 H new ATOM 0 HB2 ASN A 372 -3.396 1.652 -14.623 1.00 0.00 H new ATOM 0 HB3 ASN A 372 -2.068 2.104 -15.673 1.00 0.00 H new ATOM 0 HD21 ASN A 372 -2.391 -1.774 -15.130 1.00 0.00 H new ATOM 0 HD22 ASN A 372 -3.666 -0.566 -15.317 1.00 0.00 H new ATOM 115 N LYS A 373 -3.117 4.269 -13.695 1.00 0.00 N ATOM 116 CA LYS A 373 -3.399 5.734 -13.780 1.00 0.00 C ATOM 117 C LYS A 373 -4.561 6.107 -12.847 1.00 0.00 C ATOM 118 O LYS A 373 -5.505 6.758 -13.261 1.00 0.00 O ATOM 119 CB LYS A 373 -3.788 5.981 -15.240 1.00 0.00 C ATOM 120 CG LYS A 373 -2.596 5.687 -16.155 1.00 0.00 C ATOM 121 CD LYS A 373 -1.482 6.704 -15.890 1.00 0.00 C ATOM 122 CE LYS A 373 -0.769 7.035 -17.203 1.00 0.00 C ATOM 123 NZ LYS A 373 0.595 7.475 -16.798 1.00 0.00 N ATOM 0 H LYS A 373 -3.942 3.669 -13.674 1.00 0.00 H new ATOM 0 HA LYS A 373 -2.541 6.335 -13.478 1.00 0.00 H new ATOM 0 HB2 LYS A 373 -4.632 5.347 -15.513 1.00 0.00 H new ATOM 0 HB3 LYS A 373 -4.111 7.014 -15.369 1.00 0.00 H new ATOM 0 HG2 LYS A 373 -2.229 4.676 -15.978 1.00 0.00 H new ATOM 0 HG3 LYS A 373 -2.905 5.735 -17.199 1.00 0.00 H new ATOM 0 HD2 LYS A 373 -1.900 7.611 -15.452 1.00 0.00 H new ATOM 0 HD3 LYS A 373 -0.771 6.300 -15.169 1.00 0.00 H new ATOM 0 HE2 LYS A 373 -0.725 6.165 -17.859 1.00 0.00 H new ATOM 0 HE3 LYS A 373 -1.292 7.820 -17.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 373 1.147 7.720 -17.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 373 0.522 8.308 -16.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 373 1.071 6.705 -16.286 1.00 0.00 H new ATOM 137 N VAL A 374 -4.510 5.705 -11.592 1.00 0.00 N ATOM 138 CA VAL A 374 -5.617 6.045 -10.660 1.00 0.00 C ATOM 139 C VAL A 374 -5.065 6.388 -9.264 1.00 0.00 C ATOM 140 O VAL A 374 -3.961 6.011 -8.920 1.00 0.00 O ATOM 141 CB VAL A 374 -6.486 4.782 -10.612 1.00 0.00 C ATOM 142 CG1 VAL A 374 -5.684 3.607 -10.041 1.00 0.00 C ATOM 143 CG2 VAL A 374 -7.714 5.039 -9.734 1.00 0.00 C ATOM 0 H VAL A 374 -3.750 5.160 -11.185 1.00 0.00 H new ATOM 0 HA VAL A 374 -6.182 6.918 -10.987 1.00 0.00 H new ATOM 0 HB VAL A 374 -6.805 4.533 -11.624 1.00 0.00 H new ATOM 0 HG11 VAL A 374 -6.313 2.717 -10.013 1.00 0.00 H new ATOM 0 HG12 VAL A 374 -4.816 3.418 -10.672 1.00 0.00 H new ATOM 0 HG13 VAL A 374 -5.352 3.849 -9.031 1.00 0.00 H new ATOM 0 HG21 VAL A 374 -8.331 4.141 -9.700 1.00 0.00 H new ATOM 0 HG22 VAL A 374 -7.392 5.297 -8.725 1.00 0.00 H new ATOM 0 HG23 VAL A 374 -8.294 5.862 -10.151 1.00 0.00 H new ATOM 153 N LYS A 375 -5.835 7.079 -8.452 1.00 0.00 N ATOM 154 CA LYS A 375 -5.354 7.418 -7.068 1.00 0.00 C ATOM 155 C LYS A 375 -5.736 6.278 -6.116 1.00 0.00 C ATOM 156 O LYS A 375 -6.832 6.249 -5.587 1.00 0.00 O ATOM 157 CB LYS A 375 -6.072 8.713 -6.656 1.00 0.00 C ATOM 158 CG LYS A 375 -5.208 9.919 -7.020 1.00 0.00 C ATOM 159 CD LYS A 375 -5.332 10.199 -8.518 1.00 0.00 C ATOM 160 CE LYS A 375 -4.430 11.377 -8.892 1.00 0.00 C ATOM 161 NZ LYS A 375 -5.179 12.112 -9.948 1.00 0.00 N ATOM 0 H LYS A 375 -6.768 7.421 -8.684 1.00 0.00 H new ATOM 0 HA LYS A 375 -4.272 7.550 -7.035 1.00 0.00 H new ATOM 0 HB2 LYS A 375 -7.037 8.780 -7.158 1.00 0.00 H new ATOM 0 HB3 LYS A 375 -6.270 8.705 -5.584 1.00 0.00 H new ATOM 0 HG2 LYS A 375 -5.523 10.792 -6.448 1.00 0.00 H new ATOM 0 HG3 LYS A 375 -4.167 9.726 -6.760 1.00 0.00 H new ATOM 0 HD2 LYS A 375 -5.049 9.315 -9.089 1.00 0.00 H new ATOM 0 HD3 LYS A 375 -6.368 10.425 -8.772 1.00 0.00 H new ATOM 0 HE2 LYS A 375 -4.235 12.014 -8.030 1.00 0.00 H new ATOM 0 HE3 LYS A 375 -3.463 11.033 -9.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 375 -4.625 12.936 -10.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 375 -5.345 11.482 -10.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 375 -6.092 12.433 -9.567 1.00 0.00 H new ATOM 175 N ARG A 376 -4.838 5.346 -5.891 1.00 0.00 N ATOM 176 CA ARG A 376 -5.165 4.223 -4.962 1.00 0.00 C ATOM 177 C ARG A 376 -5.293 4.760 -3.542 1.00 0.00 C ATOM 178 O ARG A 376 -4.662 5.738 -3.184 1.00 0.00 O ATOM 179 CB ARG A 376 -4.040 3.177 -5.060 1.00 0.00 C ATOM 180 CG ARG A 376 -4.494 2.009 -5.948 1.00 0.00 C ATOM 181 CD ARG A 376 -5.770 1.361 -5.361 1.00 0.00 C ATOM 182 NE ARG A 376 -6.929 1.837 -6.200 1.00 0.00 N ATOM 183 CZ ARG A 376 -8.154 1.908 -5.697 1.00 0.00 C ATOM 184 NH1 ARG A 376 -8.423 1.496 -4.477 1.00 0.00 N ATOM 185 NH2 ARG A 376 -9.127 2.375 -6.435 1.00 0.00 N ATOM 0 H ARG A 376 -3.906 5.316 -6.305 1.00 0.00 H new ATOM 0 HA ARG A 376 -6.113 3.758 -5.232 1.00 0.00 H new ATOM 0 HB2 ARG A 376 -3.141 3.633 -5.475 1.00 0.00 H new ATOM 0 HB3 ARG A 376 -3.782 2.812 -4.066 1.00 0.00 H new ATOM 0 HG2 ARG A 376 -4.690 2.365 -6.959 1.00 0.00 H new ATOM 0 HG3 ARG A 376 -3.699 1.266 -6.020 1.00 0.00 H new ATOM 0 HD2 ARG A 376 -5.697 0.274 -5.385 1.00 0.00 H new ATOM 0 HD3 ARG A 376 -5.904 1.649 -4.318 1.00 0.00 H new ATOM 0 HE ARG A 376 -6.768 2.109 -7.170 1.00 0.00 H new ATOM 0 HH11 ARG A 376 -7.680 1.111 -3.894 1.00 0.00 H new ATOM 0 HH12 ARG A 376 -9.374 1.562 -4.115 1.00 0.00 H new ATOM 0 HH21 ARG A 376 -8.941 2.681 -7.390 1.00 0.00 H new ATOM 0 HH22 ARG A 376 -10.072 2.433 -6.056 1.00 0.00 H new ATOM 199 N THR A 377 -6.113 4.133 -2.731 1.00 0.00 N ATOM 200 CA THR A 377 -6.283 4.626 -1.330 1.00 0.00 C ATOM 201 C THR A 377 -5.094 4.152 -0.494 1.00 0.00 C ATOM 202 O THR A 377 -4.302 3.382 -0.967 1.00 0.00 O ATOM 203 CB THR A 377 -7.622 4.042 -0.837 1.00 0.00 C ATOM 204 OG1 THR A 377 -7.965 4.629 0.409 1.00 0.00 O ATOM 205 CG2 THR A 377 -7.530 2.517 -0.681 1.00 0.00 C ATOM 0 H THR A 377 -6.665 3.311 -2.976 1.00 0.00 H new ATOM 0 HA THR A 377 -6.307 5.713 -1.255 1.00 0.00 H new ATOM 0 HB THR A 377 -8.391 4.267 -1.576 1.00 0.00 H new ATOM 0 HG1 THR A 377 -8.817 4.259 0.721 1.00 0.00 H new ATOM 0 HG21 THR A 377 -8.487 2.129 -0.332 1.00 0.00 H new ATOM 0 HG22 THR A 377 -7.285 2.067 -1.643 1.00 0.00 H new ATOM 0 HG23 THR A 377 -6.753 2.272 0.043 1.00 0.00 H new ATOM 213 N SER A 378 -4.955 4.598 0.727 1.00 0.00 N ATOM 214 CA SER A 378 -3.784 4.133 1.550 1.00 0.00 C ATOM 215 C SER A 378 -4.056 2.712 2.060 1.00 0.00 C ATOM 216 O SER A 378 -5.195 2.299 2.163 1.00 0.00 O ATOM 217 CB SER A 378 -3.650 5.121 2.722 1.00 0.00 C ATOM 218 OG SER A 378 -4.310 4.596 3.867 1.00 0.00 O ATOM 0 H SER A 378 -5.586 5.253 1.189 1.00 0.00 H new ATOM 0 HA SER A 378 -2.862 4.107 0.969 1.00 0.00 H new ATOM 0 HB2 SER A 378 -2.597 5.296 2.945 1.00 0.00 H new ATOM 0 HB3 SER A 378 -4.082 6.084 2.450 1.00 0.00 H new ATOM 0 HG SER A 378 -4.222 5.226 4.613 1.00 0.00 H new ATOM 224 N CYS A 379 -3.029 1.962 2.400 1.00 0.00 N ATOM 225 CA CYS A 379 -3.261 0.567 2.930 1.00 0.00 C ATOM 226 C CYS A 379 -3.762 0.648 4.380 1.00 0.00 C ATOM 227 O CYS A 379 -3.579 1.657 5.038 1.00 0.00 O ATOM 228 CB CYS A 379 -1.889 -0.130 2.880 1.00 0.00 C ATOM 229 SG CYS A 379 -2.072 -1.908 3.146 1.00 0.00 S ATOM 0 H CYS A 379 -2.052 2.247 2.336 1.00 0.00 H new ATOM 0 HA CYS A 379 -4.006 0.024 2.349 1.00 0.00 H new ATOM 0 HB2 CYS A 379 -1.417 0.053 1.915 1.00 0.00 H new ATOM 0 HB3 CYS A 379 -1.232 0.292 3.641 1.00 0.00 H new ATOM 234 N MET A 380 -4.382 -0.396 4.898 1.00 0.00 N ATOM 235 CA MET A 380 -4.864 -0.335 6.326 1.00 0.00 C ATOM 236 C MET A 380 -3.667 -0.136 7.277 1.00 0.00 C ATOM 237 O MET A 380 -3.780 0.548 8.277 1.00 0.00 O ATOM 238 CB MET A 380 -5.585 -1.670 6.622 1.00 0.00 C ATOM 239 CG MET A 380 -4.598 -2.845 6.576 1.00 0.00 C ATOM 240 SD MET A 380 -5.459 -4.369 7.034 1.00 0.00 S ATOM 241 CE MET A 380 -5.592 -5.064 5.367 1.00 0.00 C ATOM 0 H MET A 380 -4.572 -1.269 4.407 1.00 0.00 H new ATOM 0 HA MET A 380 -5.545 0.503 6.476 1.00 0.00 H new ATOM 0 HB2 MET A 380 -6.057 -1.624 7.604 1.00 0.00 H new ATOM 0 HB3 MET A 380 -6.380 -1.828 5.893 1.00 0.00 H new ATOM 0 HG2 MET A 380 -4.174 -2.940 5.576 1.00 0.00 H new ATOM 0 HG3 MET A 380 -3.768 -2.664 7.258 1.00 0.00 H new ATOM 0 HE1 MET A 380 -5.886 -6.111 5.432 1.00 0.00 H new ATOM 0 HE2 MET A 380 -6.341 -4.511 4.801 1.00 0.00 H new ATOM 0 HE3 MET A 380 -4.628 -4.989 4.863 1.00 0.00 H new ATOM 251 N TYR A 381 -2.518 -0.718 6.974 1.00 0.00 N ATOM 252 CA TYR A 381 -1.329 -0.535 7.881 1.00 0.00 C ATOM 253 C TYR A 381 -0.698 0.851 7.668 1.00 0.00 C ATOM 254 O TYR A 381 -0.186 1.445 8.597 1.00 0.00 O ATOM 255 CB TYR A 381 -0.316 -1.632 7.518 1.00 0.00 C ATOM 256 CG TYR A 381 -0.609 -2.881 8.312 1.00 0.00 C ATOM 257 CD1 TYR A 381 -0.061 -3.041 9.614 1.00 0.00 C ATOM 258 CD2 TYR A 381 -1.431 -3.899 7.758 1.00 0.00 C ATOM 259 CE1 TYR A 381 -0.336 -4.217 10.362 1.00 0.00 C ATOM 260 CE2 TYR A 381 -1.706 -5.076 8.505 1.00 0.00 C ATOM 261 CZ TYR A 381 -1.158 -5.236 9.807 1.00 0.00 C ATOM 262 OH TYR A 381 -1.424 -6.379 10.533 1.00 0.00 O ATOM 0 H TYR A 381 -2.356 -1.301 6.153 1.00 0.00 H new ATOM 0 HA TYR A 381 -1.629 -0.606 8.926 1.00 0.00 H new ATOM 0 HB2 TYR A 381 -0.367 -1.848 6.451 1.00 0.00 H new ATOM 0 HB3 TYR A 381 0.697 -1.287 7.725 1.00 0.00 H new ATOM 0 HD1 TYR A 381 0.565 -2.268 10.035 1.00 0.00 H new ATOM 0 HD2 TYR A 381 -1.847 -3.778 6.769 1.00 0.00 H new ATOM 0 HE1 TYR A 381 0.079 -4.337 11.352 1.00 0.00 H new ATOM 0 HE2 TYR A 381 -2.331 -5.849 8.084 1.00 0.00 H new ATOM 0 HH TYR A 381 -1.060 -7.158 10.062 1.00 0.00 H new ATOM 272 N GLY A 382 -0.724 1.377 6.455 1.00 0.00 N ATOM 273 CA GLY A 382 -0.119 2.717 6.207 1.00 0.00 C ATOM 274 C GLY A 382 1.411 2.590 6.165 1.00 0.00 C ATOM 275 O GLY A 382 1.987 2.399 5.114 1.00 0.00 O ATOM 0 H GLY A 382 -1.138 0.931 5.637 1.00 0.00 H new ATOM 0 HA2 GLY A 382 -0.486 3.125 5.265 1.00 0.00 H new ATOM 0 HA3 GLY A 382 -0.415 3.412 6.993 1.00 0.00 H new ATOM 279 N ALA A 383 2.072 2.682 7.299 1.00 0.00 N ATOM 280 CA ALA A 383 3.567 2.561 7.306 1.00 0.00 C ATOM 281 C ALA A 383 4.047 1.216 7.890 1.00 0.00 C ATOM 282 O ALA A 383 5.238 0.960 7.914 1.00 0.00 O ATOM 283 CB ALA A 383 4.059 3.714 8.182 1.00 0.00 C ATOM 0 H ALA A 383 1.644 2.834 8.212 1.00 0.00 H new ATOM 0 HA ALA A 383 3.958 2.601 6.289 1.00 0.00 H new ATOM 0 HB1 ALA A 383 5.147 3.692 8.235 1.00 0.00 H new ATOM 0 HB2 ALA A 383 3.736 4.662 7.751 1.00 0.00 H new ATOM 0 HB3 ALA A 383 3.644 3.612 9.185 1.00 0.00 H new ATOM 289 N ASN A 384 3.166 0.353 8.372 1.00 0.00 N ATOM 290 CA ASN A 384 3.648 -0.941 8.949 1.00 0.00 C ATOM 291 C ASN A 384 3.170 -2.170 8.145 1.00 0.00 C ATOM 292 O ASN A 384 3.202 -3.268 8.664 1.00 0.00 O ATOM 293 CB ASN A 384 3.067 -0.977 10.364 1.00 0.00 C ATOM 294 CG ASN A 384 3.871 -0.041 11.275 1.00 0.00 C ATOM 295 OD1 ASN A 384 5.021 -0.305 11.569 1.00 0.00 O ATOM 296 ND2 ASN A 384 3.315 1.050 11.744 1.00 0.00 N ATOM 0 H ASN A 384 2.156 0.492 8.388 1.00 0.00 H new ATOM 0 HA ASN A 384 4.737 -0.990 8.929 1.00 0.00 H new ATOM 0 HB2 ASN A 384 2.020 -0.673 10.346 1.00 0.00 H new ATOM 0 HB3 ASN A 384 3.096 -1.994 10.754 1.00 0.00 H new ATOM 0 HD21 ASN A 384 3.847 1.672 12.352 1.00 0.00 H new ATOM 0 HD22 ASN A 384 2.351 1.276 11.500 1.00 0.00 H new ATOM 303 N CYS A 385 2.718 -2.019 6.902 1.00 0.00 N ATOM 304 CA CYS A 385 2.240 -3.227 6.106 1.00 0.00 C ATOM 305 C CYS A 385 3.227 -4.405 6.247 1.00 0.00 C ATOM 306 O CYS A 385 4.428 -4.207 6.260 1.00 0.00 O ATOM 307 CB CYS A 385 2.169 -2.778 4.631 1.00 0.00 C ATOM 308 SG CYS A 385 1.147 -3.938 3.680 1.00 0.00 S ATOM 0 H CYS A 385 2.660 -1.127 6.411 1.00 0.00 H new ATOM 0 HA CYS A 385 1.272 -3.569 6.471 1.00 0.00 H new ATOM 0 HB2 CYS A 385 1.750 -1.774 4.567 1.00 0.00 H new ATOM 0 HB3 CYS A 385 3.172 -2.732 4.207 1.00 0.00 H new ATOM 313 N TYR A 386 2.732 -5.618 6.378 1.00 0.00 N ATOM 314 CA TYR A 386 3.661 -6.783 6.540 1.00 0.00 C ATOM 315 C TYR A 386 3.545 -7.795 5.375 1.00 0.00 C ATOM 316 O TYR A 386 4.545 -8.329 4.931 1.00 0.00 O ATOM 317 CB TYR A 386 3.289 -7.423 7.890 1.00 0.00 C ATOM 318 CG TYR A 386 1.939 -8.105 7.819 1.00 0.00 C ATOM 319 CD1 TYR A 386 1.842 -9.433 7.321 1.00 0.00 C ATOM 320 CD2 TYR A 386 0.771 -7.423 8.254 1.00 0.00 C ATOM 321 CE1 TYR A 386 0.578 -10.077 7.257 1.00 0.00 C ATOM 322 CE2 TYR A 386 -0.493 -8.068 8.190 1.00 0.00 C ATOM 323 CZ TYR A 386 -0.589 -9.396 7.692 1.00 0.00 C ATOM 324 OH TYR A 386 -1.817 -10.022 7.631 1.00 0.00 O ATOM 0 H TYR A 386 1.738 -5.848 6.380 1.00 0.00 H new ATOM 0 HA TYR A 386 4.701 -6.458 6.522 1.00 0.00 H new ATOM 0 HB2 TYR A 386 4.051 -8.148 8.174 1.00 0.00 H new ATOM 0 HB3 TYR A 386 3.272 -6.658 8.666 1.00 0.00 H new ATOM 0 HD1 TYR A 386 2.730 -9.952 6.991 1.00 0.00 H new ATOM 0 HD2 TYR A 386 0.844 -6.414 8.633 1.00 0.00 H new ATOM 0 HE1 TYR A 386 0.505 -11.085 6.877 1.00 0.00 H new ATOM 0 HE2 TYR A 386 -1.381 -7.549 8.520 1.00 0.00 H new ATOM 0 HH TYR A 386 -2.510 -9.417 7.968 1.00 0.00 H new ATOM 334 N ARG A 387 2.353 -8.073 4.873 1.00 0.00 N ATOM 335 CA ARG A 387 2.238 -9.065 3.739 1.00 0.00 C ATOM 336 C ARG A 387 3.099 -8.611 2.548 1.00 0.00 C ATOM 337 O ARG A 387 3.404 -7.440 2.417 1.00 0.00 O ATOM 338 CB ARG A 387 0.750 -9.126 3.341 1.00 0.00 C ATOM 339 CG ARG A 387 0.258 -7.739 2.916 1.00 0.00 C ATOM 340 CD ARG A 387 -1.009 -7.887 2.071 1.00 0.00 C ATOM 341 NE ARG A 387 -2.007 -8.533 2.978 1.00 0.00 N ATOM 342 CZ ARG A 387 -2.600 -7.851 3.947 1.00 0.00 C ATOM 343 NH1 ARG A 387 -2.345 -6.578 4.143 1.00 0.00 N ATOM 344 NH2 ARG A 387 -3.463 -8.453 4.726 1.00 0.00 N ATOM 0 H ARG A 387 1.473 -7.666 5.191 1.00 0.00 H new ATOM 0 HA ARG A 387 2.594 -10.049 4.043 1.00 0.00 H new ATOM 0 HB2 ARG A 387 0.614 -9.834 2.524 1.00 0.00 H new ATOM 0 HB3 ARG A 387 0.156 -9.489 4.180 1.00 0.00 H new ATOM 0 HG2 ARG A 387 0.053 -7.128 3.795 1.00 0.00 H new ATOM 0 HG3 ARG A 387 1.032 -7.226 2.345 1.00 0.00 H new ATOM 0 HD2 ARG A 387 -1.364 -6.918 1.720 1.00 0.00 H new ATOM 0 HD3 ARG A 387 -0.825 -8.498 1.188 1.00 0.00 H new ATOM 0 HE ARG A 387 -2.236 -9.518 2.848 1.00 0.00 H new ATOM 0 HH11 ARG A 387 -1.678 -6.093 3.543 1.00 0.00 H new ATOM 0 HH12 ARG A 387 -2.814 -6.074 4.896 1.00 0.00 H new ATOM 0 HH21 ARG A 387 -3.675 -9.441 4.585 1.00 0.00 H new ATOM 0 HH22 ARG A 387 -3.923 -7.934 5.474 1.00 0.00 H new ATOM 358 N LYS A 388 3.503 -9.522 1.684 1.00 0.00 N ATOM 359 CA LYS A 388 4.352 -9.120 0.519 1.00 0.00 C ATOM 360 C LYS A 388 3.728 -9.596 -0.804 1.00 0.00 C ATOM 361 O LYS A 388 4.288 -10.428 -1.493 1.00 0.00 O ATOM 362 CB LYS A 388 5.712 -9.792 0.755 1.00 0.00 C ATOM 363 CG LYS A 388 5.550 -11.320 0.806 1.00 0.00 C ATOM 364 CD LYS A 388 6.655 -11.984 -0.019 1.00 0.00 C ATOM 365 CE LYS A 388 6.775 -13.458 0.376 1.00 0.00 C ATOM 366 NZ LYS A 388 8.108 -13.884 -0.135 1.00 0.00 N ATOM 0 H LYS A 388 3.281 -10.516 1.738 1.00 0.00 H new ATOM 0 HA LYS A 388 4.445 -8.037 0.442 1.00 0.00 H new ATOM 0 HB2 LYS A 388 6.403 -9.519 -0.042 1.00 0.00 H new ATOM 0 HB3 LYS A 388 6.145 -9.434 1.689 1.00 0.00 H new ATOM 0 HG2 LYS A 388 5.596 -11.666 1.839 1.00 0.00 H new ATOM 0 HG3 LYS A 388 4.572 -11.605 0.418 1.00 0.00 H new ATOM 0 HD2 LYS A 388 6.430 -11.899 -1.082 1.00 0.00 H new ATOM 0 HD3 LYS A 388 7.604 -11.474 0.148 1.00 0.00 H new ATOM 0 HE2 LYS A 388 6.707 -13.584 1.457 1.00 0.00 H new ATOM 0 HE3 LYS A 388 5.974 -14.052 -0.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 8.265 -14.886 0.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 8.141 -13.759 -1.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 8.850 -13.306 0.308 1.00 0.00 H new ATOM 380 N ASN A 389 2.576 -9.073 -1.170 1.00 0.00 N ATOM 381 CA ASN A 389 1.936 -9.501 -2.453 1.00 0.00 C ATOM 382 C ASN A 389 1.992 -8.358 -3.477 1.00 0.00 C ATOM 383 O ASN A 389 1.860 -7.207 -3.109 1.00 0.00 O ATOM 384 CB ASN A 389 0.482 -9.819 -2.098 1.00 0.00 C ATOM 385 CG ASN A 389 0.389 -11.244 -1.540 1.00 0.00 C ATOM 386 OD1 ASN A 389 0.538 -11.450 -0.353 1.00 0.00 O ATOM 387 ND2 ASN A 389 0.143 -12.246 -2.349 1.00 0.00 N ATOM 0 H ASN A 389 2.058 -8.374 -0.638 1.00 0.00 H new ATOM 0 HA ASN A 389 2.443 -10.359 -2.894 1.00 0.00 H new ATOM 0 HB2 ASN A 389 0.112 -9.105 -1.362 1.00 0.00 H new ATOM 0 HB3 ASN A 389 -0.148 -9.722 -2.982 1.00 0.00 H new ATOM 0 HD21 ASN A 389 0.077 -13.195 -1.980 1.00 0.00 H new ATOM 0 HD22 ASN A 389 0.017 -12.077 -3.347 1.00 0.00 H new ATOM 394 N PRO A 390 2.175 -8.700 -4.738 1.00 0.00 N ATOM 395 CA PRO A 390 2.225 -7.658 -5.785 1.00 0.00 C ATOM 396 C PRO A 390 0.820 -7.075 -6.035 1.00 0.00 C ATOM 397 O PRO A 390 0.565 -5.944 -5.681 1.00 0.00 O ATOM 398 CB PRO A 390 2.806 -8.384 -7.000 1.00 0.00 C ATOM 399 CG PRO A 390 2.530 -9.842 -6.782 1.00 0.00 C ATOM 400 CD PRO A 390 2.346 -10.056 -5.297 1.00 0.00 C ATOM 0 HA PRO A 390 2.834 -6.795 -5.518 1.00 0.00 H new ATOM 0 HB2 PRO A 390 2.343 -8.033 -7.922 1.00 0.00 H new ATOM 0 HB3 PRO A 390 3.876 -8.199 -7.090 1.00 0.00 H new ATOM 0 HG2 PRO A 390 1.637 -10.148 -7.326 1.00 0.00 H new ATOM 0 HG3 PRO A 390 3.355 -10.448 -7.157 1.00 0.00 H new ATOM 0 HD2 PRO A 390 1.477 -10.681 -5.092 1.00 0.00 H new ATOM 0 HD3 PRO A 390 3.209 -10.558 -4.860 1.00 0.00 H new ATOM 408 N VAL A 391 -0.088 -7.815 -6.652 1.00 0.00 N ATOM 409 CA VAL A 391 -1.486 -7.277 -6.930 1.00 0.00 C ATOM 410 C VAL A 391 -2.058 -6.472 -5.730 1.00 0.00 C ATOM 411 O VAL A 391 -2.822 -5.546 -5.930 1.00 0.00 O ATOM 412 CB VAL A 391 -2.363 -8.509 -7.246 1.00 0.00 C ATOM 413 CG1 VAL A 391 -3.837 -8.104 -7.393 1.00 0.00 C ATOM 414 CG2 VAL A 391 -1.892 -9.135 -8.564 1.00 0.00 C ATOM 0 H VAL A 391 0.073 -8.768 -6.977 1.00 0.00 H new ATOM 0 HA VAL A 391 -1.466 -6.574 -7.763 1.00 0.00 H new ATOM 0 HB VAL A 391 -2.270 -9.222 -6.426 1.00 0.00 H new ATOM 0 HG11 VAL A 391 -4.436 -8.987 -7.615 1.00 0.00 H new ATOM 0 HG12 VAL A 391 -4.185 -7.654 -6.463 1.00 0.00 H new ATOM 0 HG13 VAL A 391 -3.937 -7.384 -8.205 1.00 0.00 H new ATOM 0 HG21 VAL A 391 -2.507 -10.005 -8.793 1.00 0.00 H new ATOM 0 HG22 VAL A 391 -1.984 -8.404 -9.367 1.00 0.00 H new ATOM 0 HG23 VAL A 391 -0.850 -9.441 -8.469 1.00 0.00 H new ATOM 424 N HIS A 392 -1.668 -6.767 -4.501 1.00 0.00 N ATOM 425 CA HIS A 392 -2.175 -5.949 -3.334 1.00 0.00 C ATOM 426 C HIS A 392 -1.633 -4.507 -3.468 1.00 0.00 C ATOM 427 O HIS A 392 -2.335 -3.550 -3.193 1.00 0.00 O ATOM 428 CB HIS A 392 -1.616 -6.645 -2.067 1.00 0.00 C ATOM 429 CG HIS A 392 -1.652 -5.732 -0.862 1.00 0.00 C ATOM 430 ND1 HIS A 392 -2.731 -5.694 0.007 1.00 0.00 N ATOM 431 CD2 HIS A 392 -0.735 -4.838 -0.364 1.00 0.00 C ATOM 432 CE1 HIS A 392 -2.437 -4.807 0.978 1.00 0.00 C ATOM 433 NE2 HIS A 392 -1.232 -4.257 0.799 1.00 0.00 N ATOM 0 H HIS A 392 -1.031 -7.526 -4.257 1.00 0.00 H new ATOM 0 HA HIS A 392 -3.263 -5.889 -3.292 1.00 0.00 H new ATOM 0 HB2 HIS A 392 -2.197 -7.543 -1.860 1.00 0.00 H new ATOM 0 HB3 HIS A 392 -0.590 -6.964 -2.250 1.00 0.00 H new ATOM 0 HD1 HIS A 392 -3.590 -6.238 -0.074 1.00 0.00 H new ATOM 0 HD2 HIS A 392 0.225 -4.619 -0.808 1.00 0.00 H new ATOM 0 HE1 HIS A 392 -3.095 -4.569 1.801 1.00 0.00 H new ATOM 441 N PHE A 393 -0.401 -4.342 -3.925 1.00 0.00 N ATOM 442 CA PHE A 393 0.149 -2.951 -4.111 1.00 0.00 C ATOM 443 C PHE A 393 -0.767 -2.164 -5.063 1.00 0.00 C ATOM 444 O PHE A 393 -0.901 -0.960 -4.942 1.00 0.00 O ATOM 445 CB PHE A 393 1.547 -3.104 -4.734 1.00 0.00 C ATOM 446 CG PHE A 393 2.569 -3.316 -3.645 1.00 0.00 C ATOM 447 CD1 PHE A 393 2.913 -2.247 -2.775 1.00 0.00 C ATOM 448 CD2 PHE A 393 3.188 -4.584 -3.492 1.00 0.00 C ATOM 449 CE1 PHE A 393 3.878 -2.447 -1.752 1.00 0.00 C ATOM 450 CE2 PHE A 393 4.153 -4.786 -2.468 1.00 0.00 C ATOM 451 CZ PHE A 393 4.497 -3.718 -1.598 1.00 0.00 C ATOM 0 H PHE A 393 0.236 -5.099 -4.173 1.00 0.00 H new ATOM 0 HA PHE A 393 0.203 -2.414 -3.164 1.00 0.00 H new ATOM 0 HB2 PHE A 393 1.557 -3.947 -5.425 1.00 0.00 H new ATOM 0 HB3 PHE A 393 1.797 -2.215 -5.313 1.00 0.00 H new ATOM 0 HD1 PHE A 393 2.441 -1.283 -2.891 1.00 0.00 H new ATOM 0 HD2 PHE A 393 2.926 -5.396 -4.154 1.00 0.00 H new ATOM 0 HE1 PHE A 393 4.141 -1.634 -1.091 1.00 0.00 H new ATOM 0 HE2 PHE A 393 4.624 -5.751 -2.352 1.00 0.00 H new ATOM 0 HZ PHE A 393 5.229 -3.871 -0.819 1.00 0.00 H new ATOM 461 N GLN A 394 -1.410 -2.834 -6.005 1.00 0.00 N ATOM 462 CA GLN A 394 -2.325 -2.096 -6.943 1.00 0.00 C ATOM 463 C GLN A 394 -3.685 -1.824 -6.276 1.00 0.00 C ATOM 464 O GLN A 394 -4.351 -0.872 -6.628 1.00 0.00 O ATOM 465 CB GLN A 394 -2.512 -2.987 -8.183 1.00 0.00 C ATOM 466 CG GLN A 394 -1.234 -2.977 -9.026 1.00 0.00 C ATOM 467 CD GLN A 394 -0.410 -4.233 -8.723 1.00 0.00 C ATOM 468 OE1 GLN A 394 -0.601 -5.259 -9.346 1.00 0.00 O ATOM 469 NE2 GLN A 394 0.510 -4.201 -7.791 1.00 0.00 N ATOM 0 H GLN A 394 -1.341 -3.840 -6.160 1.00 0.00 H new ATOM 0 HA GLN A 394 -1.896 -1.131 -7.214 1.00 0.00 H new ATOM 0 HB2 GLN A 394 -2.749 -4.006 -7.877 1.00 0.00 H new ATOM 0 HB3 GLN A 394 -3.353 -2.628 -8.776 1.00 0.00 H new ATOM 0 HG2 GLN A 394 -1.486 -2.941 -10.086 1.00 0.00 H new ATOM 0 HG3 GLN A 394 -0.649 -2.084 -8.807 1.00 0.00 H new ATOM 0 HE21 GLN A 394 0.674 -3.342 -7.266 1.00 0.00 H new ATOM 0 HE22 GLN A 394 1.062 -5.035 -7.591 1.00 0.00 H new ATOM 478 N HIS A 395 -4.111 -2.640 -5.322 1.00 0.00 N ATOM 479 CA HIS A 395 -5.440 -2.384 -4.654 1.00 0.00 C ATOM 480 C HIS A 395 -5.285 -1.319 -3.554 1.00 0.00 C ATOM 481 O HIS A 395 -6.157 -0.491 -3.366 1.00 0.00 O ATOM 482 CB HIS A 395 -5.883 -3.716 -4.033 1.00 0.00 C ATOM 483 CG HIS A 395 -6.133 -4.728 -5.116 1.00 0.00 C ATOM 484 ND1 HIS A 395 -6.884 -5.871 -4.895 1.00 0.00 N ATOM 485 CD2 HIS A 395 -5.732 -4.790 -6.428 1.00 0.00 C ATOM 486 CE1 HIS A 395 -6.912 -6.567 -6.045 1.00 0.00 C ATOM 487 NE2 HIS A 395 -6.225 -5.954 -7.012 1.00 0.00 N ATOM 0 H HIS A 395 -3.604 -3.458 -4.984 1.00 0.00 H new ATOM 0 HA HIS A 395 -6.174 -2.018 -5.372 1.00 0.00 H new ATOM 0 HB2 HIS A 395 -5.115 -4.082 -3.351 1.00 0.00 H new ATOM 0 HB3 HIS A 395 -6.789 -3.569 -3.444 1.00 0.00 H new ATOM 0 HD2 HIS A 395 -5.127 -4.049 -6.930 1.00 0.00 H new ATOM 0 HE1 HIS A 395 -7.428 -7.508 -6.171 1.00 0.00 H new ATOM 0 HE2 HIS A 395 -6.090 -6.270 -7.972 1.00 0.00 H new ATOM 496 N PHE A 396 -4.188 -1.330 -2.822 1.00 0.00 N ATOM 497 CA PHE A 396 -3.996 -0.311 -1.742 1.00 0.00 C ATOM 498 C PHE A 396 -2.669 0.425 -1.959 1.00 0.00 C ATOM 499 O PHE A 396 -1.701 -0.150 -2.420 1.00 0.00 O ATOM 500 CB PHE A 396 -3.939 -1.096 -0.426 1.00 0.00 C ATOM 501 CG PHE A 396 -5.170 -1.958 -0.272 1.00 0.00 C ATOM 502 CD1 PHE A 396 -5.230 -3.221 -0.917 1.00 0.00 C ATOM 503 CD2 PHE A 396 -6.262 -1.511 0.520 1.00 0.00 C ATOM 504 CE1 PHE A 396 -6.381 -4.039 -0.773 1.00 0.00 C ATOM 505 CE2 PHE A 396 -7.415 -2.329 0.666 1.00 0.00 C ATOM 506 CZ PHE A 396 -7.474 -3.593 0.019 1.00 0.00 C ATOM 0 H PHE A 396 -3.425 -1.998 -2.928 1.00 0.00 H new ATOM 0 HA PHE A 396 -4.798 0.427 -1.737 1.00 0.00 H new ATOM 0 HB2 PHE A 396 -3.046 -1.720 -0.406 1.00 0.00 H new ATOM 0 HB3 PHE A 396 -3.864 -0.405 0.414 1.00 0.00 H new ATOM 0 HD1 PHE A 396 -4.399 -3.560 -1.518 1.00 0.00 H new ATOM 0 HD2 PHE A 396 -6.216 -0.550 1.011 1.00 0.00 H new ATOM 0 HE1 PHE A 396 -6.426 -4.999 -1.265 1.00 0.00 H new ATOM 0 HE2 PHE A 396 -8.245 -1.990 1.268 1.00 0.00 H new ATOM 0 HZ PHE A 396 -8.350 -4.215 0.129 1.00 0.00 H new ATOM 516 N SER A 397 -2.618 1.694 -1.633 1.00 0.00 N ATOM 517 CA SER A 397 -1.360 2.473 -1.821 1.00 0.00 C ATOM 518 C SER A 397 -0.528 2.489 -0.531 1.00 0.00 C ATOM 519 O SER A 397 -0.976 2.056 0.516 1.00 0.00 O ATOM 520 CB SER A 397 -1.792 3.896 -2.202 1.00 0.00 C ATOM 521 OG SER A 397 -0.762 4.513 -2.961 1.00 0.00 O ATOM 0 H SER A 397 -3.398 2.223 -1.243 1.00 0.00 H new ATOM 0 HA SER A 397 -0.733 2.027 -2.593 1.00 0.00 H new ATOM 0 HB2 SER A 397 -2.716 3.865 -2.779 1.00 0.00 H new ATOM 0 HB3 SER A 397 -1.996 4.479 -1.304 1.00 0.00 H new ATOM 0 HG SER A 397 -0.063 4.842 -2.358 1.00 0.00 H new ATOM 527 N HIS A 398 0.690 2.972 -0.612 1.00 0.00 N ATOM 528 CA HIS A 398 1.572 3.008 0.586 1.00 0.00 C ATOM 529 C HIS A 398 2.370 4.314 0.609 1.00 0.00 C ATOM 530 O HIS A 398 2.543 4.940 -0.417 1.00 0.00 O ATOM 531 CB HIS A 398 2.515 1.809 0.431 1.00 0.00 C ATOM 532 CG HIS A 398 1.727 0.525 0.447 1.00 0.00 C ATOM 533 ND1 HIS A 398 1.314 -0.106 -0.718 1.00 0.00 N ATOM 534 CD2 HIS A 398 1.277 -0.265 1.479 1.00 0.00 C ATOM 535 CE1 HIS A 398 0.648 -1.223 -0.363 1.00 0.00 C ATOM 536 NE2 HIS A 398 0.597 -1.367 0.966 1.00 0.00 N ATOM 0 H HIS A 398 1.108 3.344 -1.465 1.00 0.00 H new ATOM 0 HA HIS A 398 1.005 2.959 1.516 1.00 0.00 H new ATOM 0 HB2 HIS A 398 3.071 1.892 -0.503 1.00 0.00 H new ATOM 0 HB3 HIS A 398 3.247 1.806 1.238 1.00 0.00 H new ATOM 0 HD1 HIS A 398 1.484 0.217 -1.671 1.00 0.00 H new ATOM 0 HD2 HIS A 398 1.428 -0.062 2.529 1.00 0.00 H new ATOM 0 HE1 HIS A 398 0.209 -1.916 -1.065 1.00 0.00 H new ATOM 544 N PRO A 399 2.850 4.691 1.776 1.00 0.00 N ATOM 545 CA PRO A 399 3.649 5.936 1.892 1.00 0.00 C ATOM 546 C PRO A 399 4.904 5.781 1.024 1.00 0.00 C ATOM 547 O PRO A 399 5.468 4.705 0.948 1.00 0.00 O ATOM 548 CB PRO A 399 3.969 6.017 3.388 1.00 0.00 C ATOM 549 CG PRO A 399 3.862 4.607 3.858 1.00 0.00 C ATOM 550 CD PRO A 399 2.732 4.009 3.070 1.00 0.00 C ATOM 0 HA PRO A 399 3.149 6.843 1.552 1.00 0.00 H new ATOM 0 HB2 PRO A 399 4.967 6.421 3.561 1.00 0.00 H new ATOM 0 HB3 PRO A 399 3.267 6.666 3.911 1.00 0.00 H new ATOM 0 HG2 PRO A 399 4.791 4.064 3.686 1.00 0.00 H new ATOM 0 HG3 PRO A 399 3.661 4.564 4.928 1.00 0.00 H new ATOM 0 HD2 PRO A 399 2.835 2.928 2.970 1.00 0.00 H new ATOM 0 HD3 PRO A 399 1.766 4.195 3.540 1.00 0.00 H new ATOM 558 N GLY A 400 5.313 6.813 0.324 1.00 0.00 N ATOM 559 CA GLY A 400 6.490 6.667 -0.579 1.00 0.00 C ATOM 560 C GLY A 400 6.010 6.410 -2.030 1.00 0.00 C ATOM 561 O GLY A 400 6.819 6.314 -2.933 1.00 0.00 O ATOM 0 H GLY A 400 4.886 7.739 0.341 1.00 0.00 H new ATOM 0 HA2 GLY A 400 7.102 7.569 -0.543 1.00 0.00 H new ATOM 0 HA3 GLY A 400 7.118 5.842 -0.242 1.00 0.00 H new ATOM 565 N ASP A 401 4.703 6.321 -2.277 1.00 0.00 N ATOM 566 CA ASP A 401 4.215 6.106 -3.662 1.00 0.00 C ATOM 567 C ASP A 401 3.475 7.373 -4.105 1.00 0.00 C ATOM 568 O ASP A 401 2.792 7.995 -3.312 1.00 0.00 O ATOM 569 CB ASP A 401 3.261 4.909 -3.578 1.00 0.00 C ATOM 570 CG ASP A 401 4.071 3.612 -3.525 1.00 0.00 C ATOM 571 OD1 ASP A 401 5.115 3.563 -4.155 1.00 0.00 O ATOM 572 OD2 ASP A 401 3.635 2.690 -2.855 1.00 0.00 O ATOM 0 H ASP A 401 3.973 6.390 -1.568 1.00 0.00 H new ATOM 0 HA ASP A 401 5.012 5.910 -4.379 1.00 0.00 H new ATOM 0 HB2 ASP A 401 2.632 4.994 -2.692 1.00 0.00 H new ATOM 0 HB3 ASP A 401 2.596 4.900 -4.441 1.00 0.00 H new ATOM 577 N SER A 402 3.616 7.780 -5.346 1.00 0.00 N ATOM 578 CA SER A 402 2.921 9.041 -5.799 1.00 0.00 C ATOM 579 C SER A 402 1.420 9.020 -5.456 1.00 0.00 C ATOM 580 O SER A 402 0.820 10.066 -5.286 1.00 0.00 O ATOM 581 CB SER A 402 3.110 9.128 -7.320 1.00 0.00 C ATOM 582 OG SER A 402 4.386 9.692 -7.600 1.00 0.00 O ATOM 0 H SER A 402 4.172 7.306 -6.058 1.00 0.00 H new ATOM 0 HA SER A 402 3.347 9.905 -5.289 1.00 0.00 H new ATOM 0 HB2 SER A 402 3.031 8.136 -7.766 1.00 0.00 H new ATOM 0 HB3 SER A 402 2.324 9.740 -7.762 1.00 0.00 H new ATOM 0 HG SER A 402 4.513 9.748 -8.570 1.00 0.00 H new ATOM 588 N ASP A 403 0.790 7.862 -5.381 1.00 0.00 N ATOM 589 CA ASP A 403 -0.681 7.835 -5.083 1.00 0.00 C ATOM 590 C ASP A 403 -0.998 7.702 -3.579 1.00 0.00 C ATOM 591 O ASP A 403 -2.160 7.653 -3.228 1.00 0.00 O ATOM 592 CB ASP A 403 -1.228 6.605 -5.822 1.00 0.00 C ATOM 593 CG ASP A 403 -1.097 6.808 -7.333 1.00 0.00 C ATOM 594 OD1 ASP A 403 -1.568 7.824 -7.817 1.00 0.00 O ATOM 595 OD2 ASP A 403 -0.529 5.942 -7.980 1.00 0.00 O ATOM 0 H ASP A 403 1.226 6.949 -5.512 1.00 0.00 H new ATOM 0 HA ASP A 403 -1.133 8.774 -5.402 1.00 0.00 H new ATOM 0 HB2 ASP A 403 -0.681 5.713 -5.517 1.00 0.00 H new ATOM 0 HB3 ASP A 403 -2.273 6.445 -5.557 1.00 0.00 H new ATOM 600 N TYR A 404 -0.012 7.618 -2.685 1.00 0.00 N ATOM 601 CA TYR A 404 -0.339 7.464 -1.207 1.00 0.00 C ATOM 602 C TYR A 404 -1.479 8.412 -0.789 1.00 0.00 C ATOM 603 O TYR A 404 -1.427 9.604 -1.030 1.00 0.00 O ATOM 604 CB TYR A 404 0.939 7.795 -0.417 1.00 0.00 C ATOM 605 CG TYR A 404 0.707 7.519 1.057 1.00 0.00 C ATOM 606 CD1 TYR A 404 0.201 6.257 1.476 1.00 0.00 C ATOM 607 CD2 TYR A 404 0.993 8.522 2.025 1.00 0.00 C ATOM 608 CE1 TYR A 404 -0.017 5.998 2.857 1.00 0.00 C ATOM 609 CE2 TYR A 404 0.775 8.261 3.406 1.00 0.00 C ATOM 610 CZ TYR A 404 0.270 7.000 3.821 1.00 0.00 C ATOM 611 OH TYR A 404 0.056 6.749 5.162 1.00 0.00 O ATOM 0 H TYR A 404 0.983 7.649 -2.910 1.00 0.00 H new ATOM 0 HA TYR A 404 -0.673 6.447 -1.003 1.00 0.00 H new ATOM 0 HB2 TYR A 404 1.772 7.195 -0.784 1.00 0.00 H new ATOM 0 HB3 TYR A 404 1.210 8.840 -0.564 1.00 0.00 H new ATOM 0 HD1 TYR A 404 -0.018 5.494 0.744 1.00 0.00 H new ATOM 0 HD2 TYR A 404 1.376 9.482 1.711 1.00 0.00 H new ATOM 0 HE1 TYR A 404 -0.401 5.039 3.173 1.00 0.00 H new ATOM 0 HE2 TYR A 404 0.994 9.023 4.140 1.00 0.00 H new ATOM 0 HH TYR A 404 -0.897 6.580 5.315 1.00 0.00 H new ATOM 621 N GLY A 405 -2.517 7.878 -0.184 1.00 0.00 N ATOM 622 CA GLY A 405 -3.670 8.732 0.226 1.00 0.00 C ATOM 623 C GLY A 405 -3.429 9.368 1.604 1.00 0.00 C ATOM 624 O GLY A 405 -4.015 10.390 1.915 1.00 0.00 O ATOM 0 H GLY A 405 -2.611 6.888 0.041 1.00 0.00 H new ATOM 0 HA2 GLY A 405 -3.828 9.515 -0.516 1.00 0.00 H new ATOM 0 HA3 GLY A 405 -4.579 8.131 0.254 1.00 0.00 H new ATOM 628 N GLY A 406 -2.595 8.785 2.439 1.00 0.00 N ATOM 629 CA GLY A 406 -2.350 9.355 3.769 1.00 0.00 C ATOM 630 C GLY A 406 -2.853 8.343 4.793 1.00 0.00 C ATOM 631 O GLY A 406 -2.383 7.221 4.857 1.00 0.00 O ATOM 0 H GLY A 406 -2.077 7.930 2.236 1.00 0.00 H new ATOM 0 HA2 GLY A 406 -1.288 9.553 3.913 1.00 0.00 H new ATOM 0 HA3 GLY A 406 -2.869 10.307 3.881 1.00 0.00 H new ATOM 635 N VAL A 407 -3.792 8.739 5.598 1.00 0.00 N ATOM 636 CA VAL A 407 -4.331 7.820 6.638 1.00 0.00 C ATOM 637 C VAL A 407 -5.862 7.953 6.735 1.00 0.00 C ATOM 638 O VAL A 407 -6.369 8.844 7.390 1.00 0.00 O ATOM 639 CB VAL A 407 -3.657 8.272 7.935 1.00 0.00 C ATOM 640 CG1 VAL A 407 -4.132 7.401 9.099 1.00 0.00 C ATOM 641 CG2 VAL A 407 -2.134 8.140 7.791 1.00 0.00 C ATOM 0 H VAL A 407 -4.215 9.667 5.582 1.00 0.00 H new ATOM 0 HA VAL A 407 -4.130 6.772 6.415 1.00 0.00 H new ATOM 0 HB VAL A 407 -3.920 9.311 8.132 1.00 0.00 H new ATOM 0 HG11 VAL A 407 -3.648 7.728 10.019 1.00 0.00 H new ATOM 0 HG12 VAL A 407 -5.213 7.493 9.205 1.00 0.00 H new ATOM 0 HG13 VAL A 407 -3.874 6.360 8.904 1.00 0.00 H new ATOM 0 HG21 VAL A 407 -1.652 8.462 8.714 1.00 0.00 H new ATOM 0 HG22 VAL A 407 -1.876 7.100 7.590 1.00 0.00 H new ATOM 0 HG23 VAL A 407 -1.791 8.764 6.966 1.00 0.00 H new ATOM 651 N GLN A 408 -6.600 7.068 6.094 1.00 0.00 N ATOM 652 CA GLN A 408 -8.095 7.146 6.165 1.00 0.00 C ATOM 653 C GLN A 408 -8.722 5.771 5.852 1.00 0.00 C ATOM 654 O GLN A 408 -9.060 5.478 4.720 1.00 0.00 O ATOM 655 CB GLN A 408 -8.501 8.189 5.115 1.00 0.00 C ATOM 656 CG GLN A 408 -8.015 7.761 3.726 1.00 0.00 C ATOM 657 CD GLN A 408 -7.541 8.988 2.944 1.00 0.00 C ATOM 658 OE1 GLN A 408 -8.318 9.881 2.671 1.00 0.00 O ATOM 659 NE2 GLN A 408 -6.290 9.077 2.566 1.00 0.00 N ATOM 0 H GLN A 408 -6.232 6.302 5.530 1.00 0.00 H new ATOM 0 HA GLN A 408 -8.443 7.426 7.159 1.00 0.00 H new ATOM 0 HB2 GLN A 408 -9.585 8.306 5.109 1.00 0.00 H new ATOM 0 HB3 GLN A 408 -8.077 9.159 5.373 1.00 0.00 H new ATOM 0 HG2 GLN A 408 -7.202 7.042 3.821 1.00 0.00 H new ATOM 0 HG3 GLN A 408 -8.820 7.263 3.186 1.00 0.00 H new ATOM 0 HE21 GLN A 408 -5.634 8.330 2.793 1.00 0.00 H new ATOM 0 HE22 GLN A 408 -5.972 9.894 2.045 1.00 0.00 H new ATOM 668 N ILE A 409 -8.881 4.921 6.848 1.00 0.00 N ATOM 669 CA ILE A 409 -9.487 3.569 6.582 1.00 0.00 C ATOM 670 C ILE A 409 -11.018 3.645 6.700 1.00 0.00 C ATOM 671 O ILE A 409 -11.602 3.123 7.632 1.00 0.00 O ATOM 672 CB ILE A 409 -8.911 2.619 7.642 1.00 0.00 C ATOM 673 CG1 ILE A 409 -7.382 2.620 7.558 1.00 0.00 C ATOM 674 CG2 ILE A 409 -9.432 1.199 7.399 1.00 0.00 C ATOM 675 CD1 ILE A 409 -6.808 1.807 8.720 1.00 0.00 C ATOM 0 H ILE A 409 -8.622 5.101 7.818 1.00 0.00 H new ATOM 0 HA ILE A 409 -9.255 3.219 5.576 1.00 0.00 H new ATOM 0 HB ILE A 409 -9.221 2.956 8.631 1.00 0.00 H new ATOM 0 HG12 ILE A 409 -7.059 2.195 6.608 1.00 0.00 H new ATOM 0 HG13 ILE A 409 -7.006 3.642 7.594 1.00 0.00 H new ATOM 0 HG21 ILE A 409 -9.022 0.527 8.153 1.00 0.00 H new ATOM 0 HG22 ILE A 409 -10.520 1.195 7.463 1.00 0.00 H new ATOM 0 HG23 ILE A 409 -9.125 0.864 6.408 1.00 0.00 H new ATOM 0 HD11 ILE A 409 -5.720 1.807 8.661 1.00 0.00 H new ATOM 0 HD12 ILE A 409 -7.120 2.252 9.665 1.00 0.00 H new ATOM 0 HD13 ILE A 409 -7.174 0.782 8.663 1.00 0.00 H new ATOM 687 N VAL A 410 -11.672 4.276 5.750 1.00 0.00 N ATOM 688 CA VAL A 410 -13.161 4.370 5.789 1.00 0.00 C ATOM 689 C VAL A 410 -13.709 3.856 4.452 1.00 0.00 C ATOM 690 O VAL A 410 -14.231 4.613 3.656 1.00 0.00 O ATOM 691 CB VAL A 410 -13.470 5.859 5.973 1.00 0.00 C ATOM 692 CG1 VAL A 410 -14.987 6.068 6.022 1.00 0.00 C ATOM 693 CG2 VAL A 410 -12.850 6.350 7.284 1.00 0.00 C ATOM 0 H VAL A 410 -11.233 4.730 4.949 1.00 0.00 H new ATOM 0 HA VAL A 410 -13.611 3.781 6.588 1.00 0.00 H new ATOM 0 HB VAL A 410 -13.052 6.420 5.137 1.00 0.00 H new ATOM 0 HG11 VAL A 410 -15.204 7.128 6.153 1.00 0.00 H new ATOM 0 HG12 VAL A 410 -15.433 5.719 5.091 1.00 0.00 H new ATOM 0 HG13 VAL A 410 -15.405 5.506 6.857 1.00 0.00 H new ATOM 0 HG21 VAL A 410 -13.069 7.410 7.416 1.00 0.00 H new ATOM 0 HG22 VAL A 410 -13.268 5.786 8.118 1.00 0.00 H new ATOM 0 HG23 VAL A 410 -11.770 6.204 7.253 1.00 0.00 H new ATOM 703 N GLY A 411 -13.564 2.575 4.188 1.00 0.00 N ATOM 704 CA GLY A 411 -14.041 2.019 2.892 1.00 0.00 C ATOM 705 C GLY A 411 -12.850 1.974 1.925 1.00 0.00 C ATOM 706 O GLY A 411 -12.925 2.471 0.818 1.00 0.00 O ATOM 0 H GLY A 411 -13.135 1.897 4.818 1.00 0.00 H new ATOM 0 HA2 GLY A 411 -14.453 1.020 3.035 1.00 0.00 H new ATOM 0 HA3 GLY A 411 -14.840 2.638 2.483 1.00 0.00 H new ATOM 710 N GLN A 412 -11.739 1.393 2.345 1.00 0.00 N ATOM 711 CA GLN A 412 -10.520 1.326 1.454 1.00 0.00 C ATOM 712 C GLN A 412 -10.901 0.814 0.055 1.00 0.00 C ATOM 713 O GLN A 412 -10.655 1.473 -0.938 1.00 0.00 O ATOM 714 CB GLN A 412 -9.544 0.333 2.111 1.00 0.00 C ATOM 715 CG GLN A 412 -9.040 0.903 3.441 1.00 0.00 C ATOM 716 CD GLN A 412 -8.936 -0.223 4.478 1.00 0.00 C ATOM 717 OE1 GLN A 412 -7.886 -0.433 5.050 1.00 0.00 O ATOM 718 NE2 GLN A 412 -9.983 -0.967 4.748 1.00 0.00 N ATOM 0 H GLN A 412 -11.624 0.964 3.263 1.00 0.00 H new ATOM 0 HA GLN A 412 -10.075 2.315 1.341 1.00 0.00 H new ATOM 0 HB2 GLN A 412 -10.041 -0.622 2.279 1.00 0.00 H new ATOM 0 HB3 GLN A 412 -8.703 0.141 1.445 1.00 0.00 H new ATOM 0 HG2 GLN A 412 -8.067 1.373 3.301 1.00 0.00 H new ATOM 0 HG3 GLN A 412 -9.720 1.677 3.797 1.00 0.00 H new ATOM 0 HE21 GLN A 412 -10.868 -0.795 4.270 1.00 0.00 H new ATOM 0 HE22 GLN A 412 -9.912 -1.717 5.435 1.00 0.00 H new ATOM 727 N ASP A 413 -11.514 -0.350 -0.030 1.00 0.00 N ATOM 728 CA ASP A 413 -11.920 -0.883 -1.365 1.00 0.00 C ATOM 729 C ASP A 413 -13.448 -1.079 -1.428 1.00 0.00 C ATOM 730 O ASP A 413 -13.930 -1.976 -2.092 1.00 0.00 O ATOM 731 CB ASP A 413 -11.184 -2.223 -1.516 1.00 0.00 C ATOM 732 CG ASP A 413 -11.641 -3.209 -0.435 1.00 0.00 C ATOM 733 OD1 ASP A 413 -11.504 -2.884 0.733 1.00 0.00 O ATOM 734 OD2 ASP A 413 -12.119 -4.273 -0.795 1.00 0.00 O ATOM 0 H ASP A 413 -11.747 -0.945 0.765 1.00 0.00 H new ATOM 0 HA ASP A 413 -11.663 -0.196 -2.172 1.00 0.00 H new ATOM 0 HB2 ASP A 413 -11.377 -2.642 -2.504 1.00 0.00 H new ATOM 0 HB3 ASP A 413 -10.108 -2.065 -1.441 1.00 0.00 H new ATOM 739 N GLU A 414 -14.216 -0.245 -0.748 1.00 0.00 N ATOM 740 CA GLU A 414 -15.701 -0.395 -0.785 1.00 0.00 C ATOM 741 C GLU A 414 -16.345 0.919 -1.257 1.00 0.00 C ATOM 742 O GLU A 414 -17.093 1.544 -0.527 1.00 0.00 O ATOM 743 CB GLU A 414 -16.106 -0.710 0.656 1.00 0.00 C ATOM 744 CG GLU A 414 -15.454 -2.023 1.095 1.00 0.00 C ATOM 745 CD GLU A 414 -16.269 -2.644 2.230 1.00 0.00 C ATOM 746 OE1 GLU A 414 -16.702 -1.902 3.096 1.00 0.00 O ATOM 747 OE2 GLU A 414 -16.446 -3.852 2.214 1.00 0.00 O ATOM 0 H GLU A 414 -13.872 0.526 -0.175 1.00 0.00 H new ATOM 0 HA GLU A 414 -16.025 -1.176 -1.473 1.00 0.00 H new ATOM 0 HB2 GLU A 414 -15.798 0.100 1.317 1.00 0.00 H new ATOM 0 HB3 GLU A 414 -17.191 -0.787 0.731 1.00 0.00 H new ATOM 0 HG2 GLU A 414 -15.399 -2.713 0.253 1.00 0.00 H new ATOM 0 HG3 GLU A 414 -14.431 -1.841 1.425 1.00 0.00 H new ATOM 754 N THR A 415 -16.062 1.344 -2.471 1.00 0.00 N ATOM 755 CA THR A 415 -16.663 2.616 -2.976 1.00 0.00 C ATOM 756 C THR A 415 -17.690 2.313 -4.076 1.00 0.00 C ATOM 757 O THR A 415 -17.503 2.674 -5.223 1.00 0.00 O ATOM 758 CB THR A 415 -15.489 3.427 -3.533 1.00 0.00 C ATOM 759 OG1 THR A 415 -14.432 2.548 -3.897 1.00 0.00 O ATOM 760 CG2 THR A 415 -14.999 4.406 -2.467 1.00 0.00 C ATOM 0 H THR A 415 -15.444 0.865 -3.126 1.00 0.00 H new ATOM 0 HA THR A 415 -17.189 3.163 -2.194 1.00 0.00 H new ATOM 0 HB THR A 415 -15.814 3.981 -4.413 1.00 0.00 H new ATOM 0 HG1 THR A 415 -13.682 3.068 -4.255 1.00 0.00 H new ATOM 0 HG21 THR A 415 -14.163 4.985 -2.861 1.00 0.00 H new ATOM 0 HG22 THR A 415 -15.810 5.081 -2.192 1.00 0.00 H new ATOM 0 HG23 THR A 415 -14.674 3.852 -1.586 1.00 0.00 H new ATOM 768 N ASP A 416 -18.778 1.655 -3.735 1.00 0.00 N ATOM 769 CA ASP A 416 -19.814 1.336 -4.766 1.00 0.00 C ATOM 770 C ASP A 416 -21.084 2.164 -4.509 1.00 0.00 C ATOM 771 O ASP A 416 -21.995 1.712 -3.840 1.00 0.00 O ATOM 772 CB ASP A 416 -20.105 -0.158 -4.603 1.00 0.00 C ATOM 773 CG ASP A 416 -19.150 -0.963 -5.487 1.00 0.00 C ATOM 774 OD1 ASP A 416 -17.966 -0.967 -5.196 1.00 0.00 O ATOM 775 OD2 ASP A 416 -19.621 -1.561 -6.440 1.00 0.00 O ATOM 0 H ASP A 416 -18.989 1.328 -2.792 1.00 0.00 H new ATOM 0 HA ASP A 416 -19.475 1.571 -5.775 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -19.986 -0.451 -3.560 1.00 0.00 H new ATOM 0 HB3 ASP A 416 -21.138 -0.370 -4.878 1.00 0.00 H new ATOM 780 N ASP A 417 -21.157 3.370 -5.035 1.00 0.00 N ATOM 781 CA ASP A 417 -22.370 4.213 -4.815 1.00 0.00 C ATOM 782 C ASP A 417 -23.065 4.498 -6.148 1.00 0.00 C ATOM 783 O ASP A 417 -24.093 5.156 -6.129 1.00 0.00 O ATOM 784 CB ASP A 417 -21.845 5.509 -4.195 1.00 0.00 C ATOM 785 CG ASP A 417 -22.842 6.018 -3.152 1.00 0.00 C ATOM 786 OD1 ASP A 417 -24.003 6.169 -3.496 1.00 0.00 O ATOM 787 OD2 ASP A 417 -22.427 6.249 -2.029 1.00 0.00 O ATOM 0 H ASP A 417 -20.428 3.800 -5.604 1.00 0.00 H new ATOM 0 HA ASP A 417 -23.103 3.723 -4.174 1.00 0.00 H new ATOM 0 HB2 ASP A 417 -20.874 5.335 -3.731 1.00 0.00 H new ATOM 0 HB3 ASP A 417 -21.698 6.261 -4.970 1.00 0.00 H new TER 792 ASP A 417 HETATM 793 ZN ZN A1001 -0.340 -2.874 2.055 1.00 0.00 ZN