USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=10 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 -55:sc= 0.531 USER MOD Single : A 369 SER OG : rot 180:sc= 0 USER MOD Single : A 372 ASN : amide:sc= -0.028 X(o=-0.028,f=0) 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 88:sc= 0.376 USER MOD Single : A 380 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 381 TYR OH : rot 150:sc= -0.433 USER MOD Single : A 384 ASN : amide:sc= -0.114 X(o=-0.11,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= -0.103 K(o=-0.1,f=-1.3) USER MOD Single : A 394 GLN : amide:sc= -0.823 K(o=-0.82,f=-3.1!) USER MOD Single : A 395 HIS : no HD1:sc= -0.541 X(o=-0.54,f=-0.53) USER MOD Single : A 397 SER OG : rot 160:sc= -2.94! USER MOD Single : A 402 SER OG : rot 180:sc=-0.00633 USER MOD Single : A 404 TYR OH : rot 180:sc= 0 USER MOD Single : A 408 GLN : amide:sc= -4.01! K(o=-4!,f=-2.4) USER MOD Single : A 412 GLN : amide:sc= -3.2 K(o=-3.2,f=-1.8) USER MOD Single : A 415 THR OG1 : rot 180:sc= 0.0282 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 363 -14.686 -6.860 -18.934 1.00 0.00 N ATOM 2 CA GLY A 363 -13.653 -6.717 -20.000 1.00 0.00 C ATOM 3 C GLY A 363 -12.938 -8.060 -20.207 1.00 0.00 C ATOM 4 O GLY A 363 -12.804 -8.831 -19.277 1.00 0.00 O ATOM 0 HA2 GLY A 363 -14.119 -6.394 -20.931 1.00 0.00 H new ATOM 0 HA3 GLY A 363 -12.932 -5.949 -19.721 1.00 0.00 H new ATOM 10 N PRO A 364 -12.498 -8.308 -21.423 1.00 0.00 N ATOM 11 CA PRO A 364 -11.795 -9.582 -21.720 1.00 0.00 C ATOM 12 C PRO A 364 -10.386 -9.572 -21.105 1.00 0.00 C ATOM 13 O PRO A 364 -9.705 -8.564 -21.128 1.00 0.00 O ATOM 14 CB PRO A 364 -11.722 -9.608 -23.245 1.00 0.00 C ATOM 15 CG PRO A 364 -11.798 -8.175 -23.662 1.00 0.00 C ATOM 16 CD PRO A 364 -12.606 -7.452 -22.617 1.00 0.00 C ATOM 0 HA PRO A 364 -12.301 -10.456 -21.309 1.00 0.00 H new ATOM 0 HB2 PRO A 364 -10.796 -10.070 -23.588 1.00 0.00 H new ATOM 0 HB3 PRO A 364 -12.543 -10.186 -23.669 1.00 0.00 H new ATOM 0 HG2 PRO A 364 -10.800 -7.744 -23.744 1.00 0.00 H new ATOM 0 HG3 PRO A 364 -12.266 -8.083 -24.642 1.00 0.00 H new ATOM 0 HD2 PRO A 364 -12.212 -6.453 -22.429 1.00 0.00 H new ATOM 0 HD3 PRO A 364 -13.644 -7.331 -22.928 1.00 0.00 H new ATOM 24 N LEU A 365 -9.937 -10.686 -20.552 1.00 0.00 N ATOM 25 CA LEU A 365 -8.569 -10.735 -19.936 1.00 0.00 C ATOM 26 C LEU A 365 -8.388 -9.596 -18.917 1.00 0.00 C ATOM 27 O LEU A 365 -7.795 -8.578 -19.223 1.00 0.00 O ATOM 28 CB LEU A 365 -7.592 -10.574 -21.104 1.00 0.00 C ATOM 29 CG LEU A 365 -6.221 -11.122 -20.702 1.00 0.00 C ATOM 30 CD1 LEU A 365 -6.180 -12.630 -20.955 1.00 0.00 C ATOM 31 CD2 LEU A 365 -5.135 -10.437 -21.535 1.00 0.00 C ATOM 0 H LEU A 365 -10.462 -11.559 -20.503 1.00 0.00 H new ATOM 0 HA LEU A 365 -8.404 -11.666 -19.394 1.00 0.00 H new ATOM 0 HB2 LEU A 365 -7.965 -11.105 -21.980 1.00 0.00 H new ATOM 0 HB3 LEU A 365 -7.509 -9.523 -21.380 1.00 0.00 H new ATOM 0 HG LEU A 365 -6.047 -10.926 -19.644 1.00 0.00 H new ATOM 0 HD11 LEU A 365 -5.203 -13.021 -20.669 1.00 0.00 H new ATOM 0 HD12 LEU A 365 -6.954 -13.119 -20.364 1.00 0.00 H new ATOM 0 HD13 LEU A 365 -6.353 -12.826 -22.013 1.00 0.00 H new ATOM 0 HD21 LEU A 365 -4.158 -10.826 -21.250 1.00 0.00 H new ATOM 0 HD22 LEU A 365 -5.309 -10.634 -22.593 1.00 0.00 H new ATOM 0 HD23 LEU A 365 -5.163 -9.362 -21.357 1.00 0.00 H new ATOM 43 N GLY A 366 -8.891 -9.757 -17.709 1.00 0.00 N ATOM 44 CA GLY A 366 -8.740 -8.680 -16.686 1.00 0.00 C ATOM 45 C GLY A 366 -8.384 -9.305 -15.330 1.00 0.00 C ATOM 46 O GLY A 366 -8.882 -10.359 -14.983 1.00 0.00 O ATOM 0 H GLY A 366 -9.396 -10.586 -17.395 1.00 0.00 H new ATOM 0 HA2 GLY A 366 -7.961 -7.981 -16.991 1.00 0.00 H new ATOM 0 HA3 GLY A 366 -9.666 -8.110 -16.604 1.00 0.00 H new ATOM 50 N SER A 367 -7.528 -8.668 -14.557 1.00 0.00 N ATOM 51 CA SER A 367 -7.152 -9.235 -13.228 1.00 0.00 C ATOM 52 C SER A 367 -6.982 -8.108 -12.197 1.00 0.00 C ATOM 53 O SER A 367 -6.017 -8.084 -11.457 1.00 0.00 O ATOM 54 CB SER A 367 -5.820 -9.947 -13.466 1.00 0.00 C ATOM 55 OG SER A 367 -5.424 -10.613 -12.274 1.00 0.00 O ATOM 0 H SER A 367 -7.078 -7.784 -14.793 1.00 0.00 H new ATOM 0 HA SER A 367 -7.913 -9.910 -12.837 1.00 0.00 H new ATOM 0 HB2 SER A 367 -5.918 -10.664 -14.281 1.00 0.00 H new ATOM 0 HB3 SER A 367 -5.058 -9.227 -13.764 1.00 0.00 H new ATOM 0 HG SER A 367 -5.397 -9.971 -11.534 1.00 0.00 H new ATOM 61 N GLY A 368 -7.911 -7.174 -12.139 1.00 0.00 N ATOM 62 CA GLY A 368 -7.790 -6.059 -11.154 1.00 0.00 C ATOM 63 C GLY A 368 -6.736 -5.055 -11.643 1.00 0.00 C ATOM 64 O GLY A 368 -5.549 -5.304 -11.542 1.00 0.00 O ATOM 0 H GLY A 368 -8.741 -7.142 -12.731 1.00 0.00 H new ATOM 0 HA2 GLY A 368 -8.752 -5.562 -11.032 1.00 0.00 H new ATOM 0 HA3 GLY A 368 -7.508 -6.452 -10.177 1.00 0.00 H new ATOM 68 N SER A 369 -7.154 -3.923 -12.172 1.00 0.00 N ATOM 69 CA SER A 369 -6.165 -2.916 -12.663 1.00 0.00 C ATOM 70 C SER A 369 -6.382 -1.567 -11.959 1.00 0.00 C ATOM 71 O SER A 369 -7.058 -0.698 -12.477 1.00 0.00 O ATOM 72 CB SER A 369 -6.440 -2.792 -14.161 1.00 0.00 C ATOM 73 OG SER A 369 -5.339 -2.147 -14.788 1.00 0.00 O ATOM 0 H SER A 369 -8.133 -3.659 -12.282 1.00 0.00 H new ATOM 0 HA SER A 369 -5.136 -3.214 -12.460 1.00 0.00 H new ATOM 0 HB2 SER A 369 -6.595 -3.779 -14.597 1.00 0.00 H new ATOM 0 HB3 SER A 369 -7.354 -2.222 -14.329 1.00 0.00 H new ATOM 0 HG SER A 369 -5.511 -2.067 -15.749 1.00 0.00 H new ATOM 79 N GLU A 370 -5.814 -1.382 -10.784 1.00 0.00 N ATOM 80 CA GLU A 370 -5.992 -0.087 -10.060 1.00 0.00 C ATOM 81 C GLU A 370 -4.670 0.337 -9.403 1.00 0.00 C ATOM 82 O GLU A 370 -4.653 0.764 -8.263 1.00 0.00 O ATOM 83 CB GLU A 370 -7.050 -0.371 -8.993 1.00 0.00 C ATOM 84 CG GLU A 370 -8.433 0.000 -9.532 1.00 0.00 C ATOM 85 CD GLU A 370 -9.509 -0.670 -8.676 1.00 0.00 C ATOM 86 OE1 GLU A 370 -9.605 -0.332 -7.507 1.00 0.00 O ATOM 87 OE2 GLU A 370 -10.221 -1.509 -9.203 1.00 0.00 O ATOM 0 H GLU A 370 -5.238 -2.072 -10.302 1.00 0.00 H new ATOM 0 HA GLU A 370 -6.292 0.721 -10.727 1.00 0.00 H new ATOM 0 HB2 GLU A 370 -7.027 -1.425 -8.715 1.00 0.00 H new ATOM 0 HB3 GLU A 370 -6.834 0.201 -8.091 1.00 0.00 H new ATOM 0 HG2 GLU A 370 -8.563 1.082 -9.517 1.00 0.00 H new ATOM 0 HG3 GLU A 370 -8.528 -0.318 -10.570 1.00 0.00 H new ATOM 94 N GLY A 371 -3.561 0.224 -10.106 1.00 0.00 N ATOM 95 CA GLY A 371 -2.251 0.622 -9.505 1.00 0.00 C ATOM 96 C GLY A 371 -1.321 1.175 -10.595 1.00 0.00 C ATOM 97 O GLY A 371 -0.136 0.897 -10.601 1.00 0.00 O ATOM 0 H GLY A 371 -3.512 -0.125 -11.063 1.00 0.00 H new ATOM 0 HA2 GLY A 371 -2.409 1.375 -8.733 1.00 0.00 H new ATOM 0 HA3 GLY A 371 -1.787 -0.237 -9.021 1.00 0.00 H new ATOM 101 N ASN A 372 -1.843 1.958 -11.517 1.00 0.00 N ATOM 102 CA ASN A 372 -0.980 2.521 -12.597 1.00 0.00 C ATOM 103 C ASN A 372 -1.170 4.043 -12.680 1.00 0.00 C ATOM 104 O ASN A 372 -0.232 4.797 -12.506 1.00 0.00 O ATOM 105 CB ASN A 372 -1.465 1.847 -13.880 1.00 0.00 C ATOM 106 CG ASN A 372 -0.830 0.456 -13.999 1.00 0.00 C ATOM 107 OD1 ASN A 372 -1.528 -0.539 -13.998 1.00 0.00 O ATOM 108 ND2 ASN A 372 0.471 0.337 -14.098 1.00 0.00 N ATOM 0 H ASN A 372 -2.826 2.227 -11.563 1.00 0.00 H new ATOM 0 HA ASN A 372 0.080 2.341 -12.420 1.00 0.00 H new ATOM 0 HB2 ASN A 372 -2.552 1.763 -13.871 1.00 0.00 H new ATOM 0 HB3 ASN A 372 -1.200 2.455 -14.745 1.00 0.00 H new ATOM 0 HD21 ASN A 372 0.894 -0.588 -14.174 1.00 0.00 H new ATOM 0 HD22 ASN A 372 1.061 1.169 -14.099 1.00 0.00 H new ATOM 115 N LYS A 373 -2.377 4.503 -12.941 1.00 0.00 N ATOM 116 CA LYS A 373 -2.616 5.974 -13.029 1.00 0.00 C ATOM 117 C LYS A 373 -3.871 6.353 -12.232 1.00 0.00 C ATOM 118 O LYS A 373 -4.727 7.066 -12.721 1.00 0.00 O ATOM 119 CB LYS A 373 -2.818 6.257 -14.520 1.00 0.00 C ATOM 120 CG LYS A 373 -1.461 6.514 -15.184 1.00 0.00 C ATOM 121 CD LYS A 373 -0.967 5.229 -15.854 1.00 0.00 C ATOM 122 CE LYS A 373 -1.896 4.865 -17.014 1.00 0.00 C ATOM 123 NZ LYS A 373 -1.102 3.932 -17.862 1.00 0.00 N ATOM 0 H LYS A 373 -3.200 3.921 -13.095 1.00 0.00 H new ATOM 0 HA LYS A 373 -1.790 6.553 -12.615 1.00 0.00 H new ATOM 0 HB2 LYS A 373 -3.313 5.411 -14.997 1.00 0.00 H new ATOM 0 HB3 LYS A 373 -3.468 7.122 -14.651 1.00 0.00 H new ATOM 0 HG2 LYS A 373 -1.551 7.310 -15.923 1.00 0.00 H new ATOM 0 HG3 LYS A 373 -0.738 6.850 -14.440 1.00 0.00 H new ATOM 0 HD2 LYS A 373 0.051 5.365 -16.219 1.00 0.00 H new ATOM 0 HD3 LYS A 373 -0.939 4.416 -15.128 1.00 0.00 H new ATOM 0 HE2 LYS A 373 -2.810 4.392 -16.655 1.00 0.00 H new ATOM 0 HE3 LYS A 373 -2.195 5.751 -17.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 373 -1.672 3.636 -18.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 373 -0.241 4.412 -18.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 373 -0.838 3.095 -17.304 1.00 0.00 H new ATOM 137 N VAL A 374 -3.991 5.882 -11.008 1.00 0.00 N ATOM 138 CA VAL A 374 -5.189 6.219 -10.193 1.00 0.00 C ATOM 139 C VAL A 374 -4.785 6.478 -8.730 1.00 0.00 C ATOM 140 O VAL A 374 -3.725 6.069 -8.296 1.00 0.00 O ATOM 141 CB VAL A 374 -6.093 4.986 -10.302 1.00 0.00 C ATOM 142 CG1 VAL A 374 -5.377 3.754 -9.736 1.00 0.00 C ATOM 143 CG2 VAL A 374 -7.386 5.229 -9.516 1.00 0.00 C ATOM 0 H VAL A 374 -3.308 5.281 -10.547 1.00 0.00 H new ATOM 0 HA VAL A 374 -5.690 7.123 -10.540 1.00 0.00 H new ATOM 0 HB VAL A 374 -6.328 4.810 -11.352 1.00 0.00 H new ATOM 0 HG11 VAL A 374 -6.029 2.884 -9.819 1.00 0.00 H new ATOM 0 HG12 VAL A 374 -4.461 3.575 -10.298 1.00 0.00 H new ATOM 0 HG13 VAL A 374 -5.132 3.925 -8.688 1.00 0.00 H new ATOM 0 HG21 VAL A 374 -8.029 4.352 -9.593 1.00 0.00 H new ATOM 0 HG22 VAL A 374 -7.146 5.412 -8.469 1.00 0.00 H new ATOM 0 HG23 VAL A 374 -7.904 6.096 -9.926 1.00 0.00 H new ATOM 153 N LYS A 375 -5.629 7.137 -7.965 1.00 0.00 N ATOM 154 CA LYS A 375 -5.286 7.397 -6.526 1.00 0.00 C ATOM 155 C LYS A 375 -5.832 6.254 -5.655 1.00 0.00 C ATOM 156 O LYS A 375 -6.976 6.270 -5.245 1.00 0.00 O ATOM 157 CB LYS A 375 -5.953 8.725 -6.152 1.00 0.00 C ATOM 158 CG LYS A 375 -5.052 9.883 -6.585 1.00 0.00 C ATOM 159 CD LYS A 375 -5.914 11.089 -6.961 1.00 0.00 C ATOM 160 CE LYS A 375 -5.286 11.819 -8.150 1.00 0.00 C ATOM 161 NZ LYS A 375 -5.553 13.261 -7.892 1.00 0.00 N ATOM 0 H LYS A 375 -6.531 7.502 -8.271 1.00 0.00 H new ATOM 0 HA LYS A 375 -4.209 7.450 -6.370 1.00 0.00 H new ATOM 0 HB2 LYS A 375 -6.926 8.805 -6.636 1.00 0.00 H new ATOM 0 HB3 LYS A 375 -6.128 8.767 -5.077 1.00 0.00 H new ATOM 0 HG2 LYS A 375 -4.370 10.148 -5.777 1.00 0.00 H new ATOM 0 HG3 LYS A 375 -4.439 9.582 -7.434 1.00 0.00 H new ATOM 0 HD2 LYS A 375 -6.923 10.763 -7.213 1.00 0.00 H new ATOM 0 HD3 LYS A 375 -6.001 11.766 -6.111 1.00 0.00 H new ATOM 0 HE2 LYS A 375 -4.216 11.620 -8.217 1.00 0.00 H new ATOM 0 HE3 LYS A 375 -5.730 11.496 -9.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 375 -5.153 13.832 -8.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 375 -6.579 13.420 -7.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 375 -5.113 13.540 -6.992 1.00 0.00 H new ATOM 175 N ARG A 376 -5.015 5.264 -5.377 1.00 0.00 N ATOM 176 CA ARG A 376 -5.485 4.119 -4.534 1.00 0.00 C ATOM 177 C ARG A 376 -5.666 4.564 -3.082 1.00 0.00 C ATOM 178 O ARG A 376 -5.349 5.684 -2.723 1.00 0.00 O ATOM 179 CB ARG A 376 -4.424 3.010 -4.637 1.00 0.00 C ATOM 180 CG ARG A 376 -4.869 1.978 -5.676 1.00 0.00 C ATOM 181 CD ARG A 376 -6.095 1.207 -5.149 1.00 0.00 C ATOM 182 NE ARG A 376 -7.312 1.809 -5.806 1.00 0.00 N ATOM 183 CZ ARG A 376 -8.500 1.768 -5.216 1.00 0.00 C ATOM 184 NH1 ARG A 376 -8.681 1.153 -4.069 1.00 0.00 N ATOM 185 NH2 ARG A 376 -9.529 2.330 -5.797 1.00 0.00 N ATOM 0 H ARG A 376 -4.048 5.200 -5.696 1.00 0.00 H new ATOM 0 HA ARG A 376 -6.451 3.754 -4.883 1.00 0.00 H new ATOM 0 HB2 ARG A 376 -3.462 3.437 -4.921 1.00 0.00 H new ATOM 0 HB3 ARG A 376 -4.287 2.531 -3.668 1.00 0.00 H new ATOM 0 HG2 ARG A 376 -5.115 2.475 -6.614 1.00 0.00 H new ATOM 0 HG3 ARG A 376 -4.054 1.285 -5.887 1.00 0.00 H new ATOM 0 HD2 ARG A 376 -6.014 0.146 -5.386 1.00 0.00 H new ATOM 0 HD3 ARG A 376 -6.163 1.287 -4.064 1.00 0.00 H new ATOM 0 HE ARG A 376 -7.220 2.255 -6.719 1.00 0.00 H new ATOM 0 HH11 ARG A 376 -7.897 0.691 -3.609 1.00 0.00 H new ATOM 0 HH12 ARG A 376 -9.606 1.138 -3.639 1.00 0.00 H new ATOM 0 HH21 ARG A 376 -9.415 2.796 -6.697 1.00 0.00 H new ATOM 0 HH22 ARG A 376 -10.445 2.302 -5.350 1.00 0.00 H new ATOM 199 N THR A 377 -6.186 3.696 -2.248 1.00 0.00 N ATOM 200 CA THR A 377 -6.402 4.072 -0.819 1.00 0.00 C ATOM 201 C THR A 377 -5.193 3.612 0.019 1.00 0.00 C ATOM 202 O THR A 377 -4.693 2.513 -0.151 1.00 0.00 O ATOM 203 CB THR A 377 -7.715 3.364 -0.425 1.00 0.00 C ATOM 204 OG1 THR A 377 -8.808 4.130 -0.908 1.00 0.00 O ATOM 205 CG2 THR A 377 -7.845 3.210 1.101 1.00 0.00 C ATOM 0 H THR A 377 -6.469 2.748 -2.495 1.00 0.00 H new ATOM 0 HA THR A 377 -6.485 5.146 -0.651 1.00 0.00 H new ATOM 0 HB THR A 377 -7.711 2.366 -0.864 1.00 0.00 H new ATOM 0 HG1 THR A 377 -9.649 3.689 -0.665 1.00 0.00 H new ATOM 0 HG21 THR A 377 -8.783 2.707 1.337 1.00 0.00 H new ATOM 0 HG22 THR A 377 -7.011 2.619 1.479 1.00 0.00 H new ATOM 0 HG23 THR A 377 -7.834 4.195 1.568 1.00 0.00 H new ATOM 213 N SER A 378 -4.712 4.453 0.909 1.00 0.00 N ATOM 214 CA SER A 378 -3.524 4.058 1.743 1.00 0.00 C ATOM 215 C SER A 378 -3.843 2.775 2.526 1.00 0.00 C ATOM 216 O SER A 378 -4.822 2.708 3.244 1.00 0.00 O ATOM 217 CB SER A 378 -3.235 5.215 2.704 1.00 0.00 C ATOM 218 OG SER A 378 -1.933 5.055 3.250 1.00 0.00 O ATOM 0 H SER A 378 -5.084 5.385 1.093 1.00 0.00 H new ATOM 0 HA SER A 378 -2.654 3.861 1.116 1.00 0.00 H new ATOM 0 HB2 SER A 378 -3.307 6.167 2.178 1.00 0.00 H new ATOM 0 HB3 SER A 378 -3.977 5.235 3.502 1.00 0.00 H new ATOM 0 HG SER A 378 -1.276 5.476 2.658 1.00 0.00 H new ATOM 224 N CYS A 379 -3.049 1.739 2.349 1.00 0.00 N ATOM 225 CA CYS A 379 -3.317 0.419 3.037 1.00 0.00 C ATOM 226 C CYS A 379 -3.743 0.574 4.504 1.00 0.00 C ATOM 227 O CYS A 379 -3.312 1.480 5.192 1.00 0.00 O ATOM 228 CB CYS A 379 -1.994 -0.351 2.993 1.00 0.00 C ATOM 229 SG CYS A 379 -2.317 -2.121 3.116 1.00 0.00 S ATOM 0 H CYS A 379 -2.220 1.747 1.754 1.00 0.00 H new ATOM 0 HA CYS A 379 -4.138 -0.087 2.530 1.00 0.00 H new ATOM 0 HB2 CYS A 379 -1.465 -0.132 2.066 1.00 0.00 H new ATOM 0 HB3 CYS A 379 -1.349 -0.031 3.811 1.00 0.00 H new ATOM 234 N MET A 380 -4.573 -0.335 4.995 1.00 0.00 N ATOM 235 CA MET A 380 -5.007 -0.263 6.441 1.00 0.00 C ATOM 236 C MET A 380 -3.779 -0.105 7.364 1.00 0.00 C ATOM 237 O MET A 380 -3.879 0.480 8.424 1.00 0.00 O ATOM 238 CB MET A 380 -5.747 -1.579 6.756 1.00 0.00 C ATOM 239 CG MET A 380 -4.819 -2.776 6.524 1.00 0.00 C ATOM 240 SD MET A 380 -5.551 -4.261 7.255 1.00 0.00 S ATOM 241 CE MET A 380 -4.777 -5.462 6.145 1.00 0.00 C ATOM 0 H MET A 380 -4.963 -1.113 4.464 1.00 0.00 H new ATOM 0 HA MET A 380 -5.656 0.597 6.608 1.00 0.00 H new ATOM 0 HB2 MET A 380 -6.092 -1.572 7.790 1.00 0.00 H new ATOM 0 HB3 MET A 380 -6.631 -1.667 6.125 1.00 0.00 H new ATOM 0 HG2 MET A 380 -4.660 -2.924 5.456 1.00 0.00 H new ATOM 0 HG3 MET A 380 -3.842 -2.583 6.968 1.00 0.00 H new ATOM 0 HE1 MET A 380 -5.095 -6.468 6.419 1.00 0.00 H new ATOM 0 HE2 MET A 380 -5.076 -5.254 5.118 1.00 0.00 H new ATOM 0 HE3 MET A 380 -3.693 -5.389 6.229 1.00 0.00 H new ATOM 251 N TYR A 381 -2.619 -0.617 6.972 1.00 0.00 N ATOM 252 CA TYR A 381 -1.414 -0.468 7.851 1.00 0.00 C ATOM 253 C TYR A 381 -0.714 0.881 7.621 1.00 0.00 C ATOM 254 O TYR A 381 -0.029 1.362 8.506 1.00 0.00 O ATOM 255 CB TYR A 381 -0.467 -1.630 7.514 1.00 0.00 C ATOM 256 CG TYR A 381 -0.781 -2.799 8.414 1.00 0.00 C ATOM 257 CD1 TYR A 381 -0.476 -2.727 9.801 1.00 0.00 C ATOM 258 CD2 TYR A 381 -1.386 -3.965 7.878 1.00 0.00 C ATOM 259 CE1 TYR A 381 -0.780 -3.824 10.651 1.00 0.00 C ATOM 260 CE2 TYR A 381 -1.688 -5.062 8.728 1.00 0.00 C ATOM 261 CZ TYR A 381 -1.386 -4.991 10.114 1.00 0.00 C ATOM 262 OH TYR A 381 -1.682 -6.057 10.938 1.00 0.00 O ATOM 0 H TYR A 381 -2.465 -1.120 6.098 1.00 0.00 H new ATOM 0 HA TYR A 381 -1.708 -0.492 8.900 1.00 0.00 H new ATOM 0 HB2 TYR A 381 -0.582 -1.918 6.469 1.00 0.00 H new ATOM 0 HB3 TYR A 381 0.570 -1.321 7.647 1.00 0.00 H new ATOM 0 HD1 TYR A 381 -0.014 -1.840 10.208 1.00 0.00 H new ATOM 0 HD2 TYR A 381 -1.617 -4.018 6.824 1.00 0.00 H new ATOM 0 HE1 TYR A 381 -0.550 -3.771 11.705 1.00 0.00 H new ATOM 0 HE2 TYR A 381 -2.147 -5.950 8.320 1.00 0.00 H new ATOM 0 HH TYR A 381 -2.465 -6.532 10.590 1.00 0.00 H new ATOM 272 N GLY A 382 -0.868 1.520 6.471 1.00 0.00 N ATOM 273 CA GLY A 382 -0.196 2.838 6.265 1.00 0.00 C ATOM 274 C GLY A 382 1.334 2.677 6.294 1.00 0.00 C ATOM 275 O GLY A 382 1.954 2.486 5.268 1.00 0.00 O ATOM 0 H GLY A 382 -1.423 1.184 5.684 1.00 0.00 H new ATOM 0 HA2 GLY A 382 -0.504 3.264 5.310 1.00 0.00 H new ATOM 0 HA3 GLY A 382 -0.508 3.537 7.041 1.00 0.00 H new ATOM 279 N ALA A 383 1.949 2.764 7.457 1.00 0.00 N ATOM 280 CA ALA A 383 3.445 2.631 7.521 1.00 0.00 C ATOM 281 C ALA A 383 3.913 1.241 7.998 1.00 0.00 C ATOM 282 O ALA A 383 5.101 1.034 8.165 1.00 0.00 O ATOM 283 CB ALA A 383 3.910 3.698 8.521 1.00 0.00 C ATOM 0 H ALA A 383 1.486 2.919 8.353 1.00 0.00 H new ATOM 0 HA ALA A 383 3.867 2.758 6.524 1.00 0.00 H new ATOM 0 HB1 ALA A 383 4.995 3.658 8.617 1.00 0.00 H new ATOM 0 HB2 ALA A 383 3.613 4.684 8.165 1.00 0.00 H new ATOM 0 HB3 ALA A 383 3.452 3.510 9.492 1.00 0.00 H new ATOM 289 N ASN A 384 3.028 0.287 8.231 1.00 0.00 N ATOM 290 CA ASN A 384 3.511 -1.048 8.705 1.00 0.00 C ATOM 291 C ASN A 384 2.908 -2.211 7.895 1.00 0.00 C ATOM 292 O ASN A 384 2.777 -3.298 8.414 1.00 0.00 O ATOM 293 CB ASN A 384 3.065 -1.130 10.165 1.00 0.00 C ATOM 294 CG ASN A 384 4.022 -0.304 11.035 1.00 0.00 C ATOM 295 OD1 ASN A 384 4.939 -0.846 11.620 1.00 0.00 O ATOM 296 ND2 ASN A 384 3.855 0.992 11.148 1.00 0.00 N ATOM 0 H ASN A 384 2.019 0.377 8.115 1.00 0.00 H new ATOM 0 HA ASN A 384 4.591 -1.137 8.584 1.00 0.00 H new ATOM 0 HB2 ASN A 384 2.047 -0.755 10.268 1.00 0.00 H new ATOM 0 HB3 ASN A 384 3.058 -2.168 10.497 1.00 0.00 H new ATOM 0 HD21 ASN A 384 4.493 1.540 11.725 1.00 0.00 H new ATOM 0 HD22 ASN A 384 3.087 1.452 10.659 1.00 0.00 H new ATOM 303 N CYS A 385 2.530 -2.005 6.645 1.00 0.00 N ATOM 304 CA CYS A 385 1.928 -3.141 5.836 1.00 0.00 C ATOM 305 C CYS A 385 2.904 -4.339 5.769 1.00 0.00 C ATOM 306 O CYS A 385 3.670 -4.462 4.831 1.00 0.00 O ATOM 307 CB CYS A 385 1.685 -2.571 4.421 1.00 0.00 C ATOM 308 SG CYS A 385 0.931 -3.830 3.362 1.00 0.00 S ATOM 0 H CYS A 385 2.609 -1.115 6.152 1.00 0.00 H new ATOM 0 HA CYS A 385 1.005 -3.504 6.289 1.00 0.00 H new ATOM 0 HB2 CYS A 385 1.035 -1.698 4.479 1.00 0.00 H new ATOM 0 HB3 CYS A 385 2.628 -2.238 3.988 1.00 0.00 H new ATOM 313 N TYR A 386 2.896 -5.210 6.764 1.00 0.00 N ATOM 314 CA TYR A 386 3.854 -6.381 6.751 1.00 0.00 C ATOM 315 C TYR A 386 3.594 -7.340 5.568 1.00 0.00 C ATOM 316 O TYR A 386 4.512 -7.995 5.107 1.00 0.00 O ATOM 317 CB TYR A 386 3.683 -7.118 8.100 1.00 0.00 C ATOM 318 CG TYR A 386 2.329 -7.794 8.173 1.00 0.00 C ATOM 319 CD1 TYR A 386 2.144 -9.076 7.585 1.00 0.00 C ATOM 320 CD2 TYR A 386 1.246 -7.153 8.831 1.00 0.00 C ATOM 321 CE1 TYR A 386 0.877 -9.715 7.654 1.00 0.00 C ATOM 322 CE2 TYR A 386 -0.021 -7.793 8.899 1.00 0.00 C ATOM 323 CZ TYR A 386 -0.205 -9.073 8.310 1.00 0.00 C ATOM 324 OH TYR A 386 -1.438 -9.692 8.374 1.00 0.00 O ATOM 0 H TYR A 386 2.278 -5.164 7.574 1.00 0.00 H new ATOM 0 HA TYR A 386 4.874 -6.019 6.622 1.00 0.00 H new ATOM 0 HB2 TYR A 386 4.472 -7.860 8.217 1.00 0.00 H new ATOM 0 HB3 TYR A 386 3.786 -6.410 8.922 1.00 0.00 H new ATOM 0 HD1 TYR A 386 2.968 -9.564 7.085 1.00 0.00 H new ATOM 0 HD2 TYR A 386 1.385 -6.180 9.279 1.00 0.00 H new ATOM 0 HE1 TYR A 386 0.738 -10.688 7.208 1.00 0.00 H new ATOM 0 HE2 TYR A 386 -0.845 -7.306 9.399 1.00 0.00 H new ATOM 0 HH TYR A 386 -2.067 -9.118 8.858 1.00 0.00 H new ATOM 334 N ARG A 387 2.377 -7.436 5.064 1.00 0.00 N ATOM 335 CA ARG A 387 2.142 -8.371 3.902 1.00 0.00 C ATOM 336 C ARG A 387 2.743 -7.754 2.632 1.00 0.00 C ATOM 337 O ARG A 387 3.037 -6.573 2.603 1.00 0.00 O ATOM 338 CB ARG A 387 0.620 -8.575 3.762 1.00 0.00 C ATOM 339 CG ARG A 387 -0.083 -7.241 3.474 1.00 0.00 C ATOM 340 CD ARG A 387 -1.214 -7.018 4.489 1.00 0.00 C ATOM 341 NE ARG A 387 -2.402 -6.615 3.673 1.00 0.00 N ATOM 342 CZ ARG A 387 -3.042 -7.487 2.909 1.00 0.00 C ATOM 343 NH1 ARG A 387 -2.626 -8.727 2.785 1.00 0.00 N ATOM 344 NH2 ARG A 387 -4.109 -7.109 2.252 1.00 0.00 N ATOM 0 H ARG A 387 1.559 -6.925 5.394 1.00 0.00 H new ATOM 0 HA ARG A 387 2.620 -9.337 4.064 1.00 0.00 H new ATOM 0 HB2 ARG A 387 0.415 -9.281 2.957 1.00 0.00 H new ATOM 0 HB3 ARG A 387 0.221 -9.012 4.678 1.00 0.00 H new ATOM 0 HG2 ARG A 387 0.634 -6.422 3.530 1.00 0.00 H new ATOM 0 HG3 ARG A 387 -0.486 -7.243 2.461 1.00 0.00 H new ATOM 0 HD2 ARG A 387 -1.417 -7.925 5.058 1.00 0.00 H new ATOM 0 HD3 ARG A 387 -0.950 -6.243 5.209 1.00 0.00 H new ATOM 0 HE ARG A 387 -2.726 -5.648 3.706 1.00 0.00 H new ATOM 0 HH11 ARG A 387 -1.792 -9.037 3.284 1.00 0.00 H new ATOM 0 HH12 ARG A 387 -3.137 -9.379 2.190 1.00 0.00 H new ATOM 0 HH21 ARG A 387 -4.442 -6.148 2.330 1.00 0.00 H new ATOM 0 HH22 ARG A 387 -4.607 -7.775 1.662 1.00 0.00 H new ATOM 358 N LYS A 388 2.959 -8.534 1.593 1.00 0.00 N ATOM 359 CA LYS A 388 3.576 -7.959 0.355 1.00 0.00 C ATOM 360 C LYS A 388 3.259 -8.818 -0.884 1.00 0.00 C ATOM 361 O LYS A 388 3.989 -9.738 -1.205 1.00 0.00 O ATOM 362 CB LYS A 388 5.087 -7.964 0.636 1.00 0.00 C ATOM 363 CG LYS A 388 5.553 -9.383 1.021 1.00 0.00 C ATOM 364 CD LYS A 388 5.965 -9.420 2.502 1.00 0.00 C ATOM 365 CE LYS A 388 7.493 -9.451 2.616 1.00 0.00 C ATOM 366 NZ LYS A 388 7.769 -10.118 3.919 1.00 0.00 N ATOM 0 H LYS A 388 2.738 -9.529 1.551 1.00 0.00 H new ATOM 0 HA LYS A 388 3.191 -6.963 0.139 1.00 0.00 H new ATOM 0 HB2 LYS A 388 5.629 -7.622 -0.246 1.00 0.00 H new ATOM 0 HB3 LYS A 388 5.317 -7.267 1.442 1.00 0.00 H new ATOM 0 HG2 LYS A 388 4.751 -10.099 0.841 1.00 0.00 H new ATOM 0 HG3 LYS A 388 6.393 -9.681 0.394 1.00 0.00 H new ATOM 0 HD2 LYS A 388 5.570 -8.546 3.021 1.00 0.00 H new ATOM 0 HD3 LYS A 388 5.537 -10.298 2.986 1.00 0.00 H new ATOM 0 HE2 LYS A 388 7.939 -10.002 1.788 1.00 0.00 H new ATOM 0 HE3 LYS A 388 7.911 -8.445 2.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 8.797 -10.176 4.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 7.338 -9.568 4.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 7.365 -11.076 3.911 1.00 0.00 H new ATOM 380 N ASN A 389 2.190 -8.520 -1.596 1.00 0.00 N ATOM 381 CA ASN A 389 1.865 -9.323 -2.818 1.00 0.00 C ATOM 382 C ASN A 389 2.126 -8.485 -4.086 1.00 0.00 C ATOM 383 O ASN A 389 2.299 -7.286 -4.000 1.00 0.00 O ATOM 384 CB ASN A 389 0.375 -9.667 -2.701 1.00 0.00 C ATOM 385 CG ASN A 389 0.209 -11.099 -2.171 1.00 0.00 C ATOM 386 OD1 ASN A 389 1.129 -11.658 -1.606 1.00 0.00 O ATOM 387 ND2 ASN A 389 -0.933 -11.724 -2.327 1.00 0.00 N ATOM 0 H ASN A 389 1.538 -7.764 -1.384 1.00 0.00 H new ATOM 0 HA ASN A 389 2.479 -10.220 -2.891 1.00 0.00 H new ATOM 0 HB2 ASN A 389 -0.118 -8.963 -2.031 1.00 0.00 H new ATOM 0 HB3 ASN A 389 -0.107 -9.572 -3.674 1.00 0.00 H new ATOM 0 HD21 ASN A 389 -1.046 -12.675 -1.975 1.00 0.00 H new ATOM 0 HD22 ASN A 389 -1.708 -11.260 -2.800 1.00 0.00 H new ATOM 394 N PRO A 390 2.142 -9.140 -5.229 1.00 0.00 N ATOM 395 CA PRO A 390 2.379 -8.421 -6.509 1.00 0.00 C ATOM 396 C PRO A 390 1.125 -7.623 -6.930 1.00 0.00 C ATOM 397 O PRO A 390 1.238 -6.576 -7.523 1.00 0.00 O ATOM 398 CB PRO A 390 2.669 -9.541 -7.503 1.00 0.00 C ATOM 399 CG PRO A 390 2.003 -10.756 -6.938 1.00 0.00 C ATOM 400 CD PRO A 390 1.945 -10.585 -5.442 1.00 0.00 C ATOM 0 HA PRO A 390 3.189 -7.694 -6.443 1.00 0.00 H new ATOM 0 HB2 PRO A 390 2.276 -9.301 -8.491 1.00 0.00 H new ATOM 0 HB3 PRO A 390 3.742 -9.698 -7.616 1.00 0.00 H new ATOM 0 HG2 PRO A 390 1.000 -10.871 -7.350 1.00 0.00 H new ATOM 0 HG3 PRO A 390 2.560 -11.656 -7.200 1.00 0.00 H new ATOM 0 HD2 PRO A 390 0.988 -10.919 -5.041 1.00 0.00 H new ATOM 0 HD3 PRO A 390 2.720 -11.169 -4.945 1.00 0.00 H new ATOM 408 N VAL A 391 -0.062 -8.104 -6.615 1.00 0.00 N ATOM 409 CA VAL A 391 -1.316 -7.353 -6.975 1.00 0.00 C ATOM 410 C VAL A 391 -1.788 -6.464 -5.799 1.00 0.00 C ATOM 411 O VAL A 391 -2.505 -5.504 -6.005 1.00 0.00 O ATOM 412 CB VAL A 391 -2.362 -8.421 -7.313 1.00 0.00 C ATOM 413 CG1 VAL A 391 -3.685 -7.754 -7.703 1.00 0.00 C ATOM 414 CG2 VAL A 391 -1.859 -9.266 -8.486 1.00 0.00 C ATOM 0 H VAL A 391 -0.216 -8.985 -6.124 1.00 0.00 H new ATOM 0 HA VAL A 391 -1.149 -6.681 -7.817 1.00 0.00 H new ATOM 0 HB VAL A 391 -2.523 -9.054 -6.440 1.00 0.00 H new ATOM 0 HG11 VAL A 391 -4.422 -8.520 -7.942 1.00 0.00 H new ATOM 0 HG12 VAL A 391 -4.046 -7.149 -6.871 1.00 0.00 H new ATOM 0 HG13 VAL A 391 -3.529 -7.117 -8.574 1.00 0.00 H new ATOM 0 HG21 VAL A 391 -2.600 -10.027 -8.730 1.00 0.00 H new ATOM 0 HG22 VAL A 391 -1.698 -8.625 -9.353 1.00 0.00 H new ATOM 0 HG23 VAL A 391 -0.921 -9.748 -8.211 1.00 0.00 H new ATOM 424 N HIS A 392 -1.400 -6.769 -4.571 1.00 0.00 N ATOM 425 CA HIS A 392 -1.841 -5.924 -3.404 1.00 0.00 C ATOM 426 C HIS A 392 -1.312 -4.491 -3.580 1.00 0.00 C ATOM 427 O HIS A 392 -2.001 -3.536 -3.270 1.00 0.00 O ATOM 428 CB HIS A 392 -1.237 -6.600 -2.154 1.00 0.00 C ATOM 429 CG HIS A 392 -1.424 -5.740 -0.939 1.00 0.00 C ATOM 430 ND1 HIS A 392 -2.515 -5.873 -0.096 1.00 0.00 N ATOM 431 CD2 HIS A 392 -0.653 -4.744 -0.409 1.00 0.00 C ATOM 432 CE1 HIS A 392 -2.370 -4.976 0.894 1.00 0.00 C ATOM 433 NE2 HIS A 392 -1.249 -4.262 0.750 1.00 0.00 N ATOM 0 H HIS A 392 -0.802 -7.560 -4.331 1.00 0.00 H new ATOM 0 HA HIS A 392 -2.925 -5.854 -3.320 1.00 0.00 H new ATOM 0 HB2 HIS A 392 -1.710 -7.569 -1.995 1.00 0.00 H new ATOM 0 HB3 HIS A 392 -0.175 -6.786 -2.313 1.00 0.00 H new ATOM 0 HD1 HIS A 392 -3.287 -6.531 -0.206 1.00 0.00 H new ATOM 0 HD2 HIS A 392 0.277 -4.386 -0.827 1.00 0.00 H new ATOM 0 HE1 HIS A 392 -3.072 -4.848 1.705 1.00 0.00 H new ATOM 441 N PHE A 393 -0.110 -4.324 -4.107 1.00 0.00 N ATOM 442 CA PHE A 393 0.414 -2.929 -4.329 1.00 0.00 C ATOM 443 C PHE A 393 -0.574 -2.142 -5.211 1.00 0.00 C ATOM 444 O PHE A 393 -0.661 -0.932 -5.114 1.00 0.00 O ATOM 445 CB PHE A 393 1.770 -3.066 -5.041 1.00 0.00 C ATOM 446 CG PHE A 393 2.862 -3.187 -4.008 1.00 0.00 C ATOM 447 CD1 PHE A 393 3.099 -2.122 -3.099 1.00 0.00 C ATOM 448 CD2 PHE A 393 3.648 -4.368 -3.940 1.00 0.00 C ATOM 449 CE1 PHE A 393 4.124 -2.237 -2.122 1.00 0.00 C ATOM 450 CE2 PHE A 393 4.673 -4.484 -2.963 1.00 0.00 C ATOM 451 CZ PHE A 393 4.910 -3.417 -2.054 1.00 0.00 C ATOM 0 H PHE A 393 0.517 -5.078 -4.387 1.00 0.00 H new ATOM 0 HA PHE A 393 0.528 -2.394 -3.386 1.00 0.00 H new ATOM 0 HB2 PHE A 393 1.767 -3.942 -5.689 1.00 0.00 H new ATOM 0 HB3 PHE A 393 1.949 -2.200 -5.678 1.00 0.00 H new ATOM 0 HD1 PHE A 393 2.500 -1.225 -3.150 1.00 0.00 H new ATOM 0 HD2 PHE A 393 3.467 -5.178 -4.631 1.00 0.00 H new ATOM 0 HE1 PHE A 393 4.305 -1.427 -1.431 1.00 0.00 H new ATOM 0 HE2 PHE A 393 5.271 -5.382 -2.911 1.00 0.00 H new ATOM 0 HZ PHE A 393 5.689 -3.504 -1.311 1.00 0.00 H new ATOM 461 N GLN A 394 -1.334 -2.817 -6.061 1.00 0.00 N ATOM 462 CA GLN A 394 -2.318 -2.071 -6.917 1.00 0.00 C ATOM 463 C GLN A 394 -3.626 -1.820 -6.144 1.00 0.00 C ATOM 464 O GLN A 394 -4.307 -0.848 -6.396 1.00 0.00 O ATOM 465 CB GLN A 394 -2.591 -2.952 -8.145 1.00 0.00 C ATOM 466 CG GLN A 394 -1.368 -2.952 -9.066 1.00 0.00 C ATOM 467 CD GLN A 394 -0.538 -4.211 -8.811 1.00 0.00 C ATOM 468 OE1 GLN A 394 -0.775 -5.233 -9.422 1.00 0.00 O ATOM 469 NE2 GLN A 394 0.441 -4.185 -7.943 1.00 0.00 N ATOM 0 H GLN A 394 -1.313 -3.828 -6.193 1.00 0.00 H new ATOM 0 HA GLN A 394 -1.919 -1.099 -7.208 1.00 0.00 H new ATOM 0 HB2 GLN A 394 -2.820 -3.970 -7.830 1.00 0.00 H new ATOM 0 HB3 GLN A 394 -3.463 -2.581 -8.683 1.00 0.00 H new ATOM 0 HG2 GLN A 394 -1.684 -2.917 -10.108 1.00 0.00 H new ATOM 0 HG3 GLN A 394 -0.764 -2.063 -8.886 1.00 0.00 H new ATOM 0 HE21 GLN A 394 0.643 -3.328 -7.428 1.00 0.00 H new ATOM 0 HE22 GLN A 394 1.002 -5.022 -7.782 1.00 0.00 H new ATOM 478 N HIS A 395 -4.003 -2.694 -5.226 1.00 0.00 N ATOM 479 CA HIS A 395 -5.298 -2.475 -4.478 1.00 0.00 C ATOM 480 C HIS A 395 -5.159 -1.382 -3.403 1.00 0.00 C ATOM 481 O HIS A 395 -6.111 -0.678 -3.125 1.00 0.00 O ATOM 482 CB HIS A 395 -5.655 -3.814 -3.819 1.00 0.00 C ATOM 483 CG HIS A 395 -6.072 -4.796 -4.877 1.00 0.00 C ATOM 484 ND1 HIS A 395 -6.889 -5.879 -4.595 1.00 0.00 N ATOM 485 CD2 HIS A 395 -5.797 -4.871 -6.219 1.00 0.00 C ATOM 486 CE1 HIS A 395 -7.078 -6.553 -5.744 1.00 0.00 C ATOM 487 NE2 HIS A 395 -6.434 -5.981 -6.765 1.00 0.00 N ATOM 0 H HIS A 395 -3.483 -3.532 -4.966 1.00 0.00 H new ATOM 0 HA HIS A 395 -6.075 -2.141 -5.166 1.00 0.00 H new ATOM 0 HB2 HIS A 395 -4.798 -4.200 -3.267 1.00 0.00 H new ATOM 0 HB3 HIS A 395 -6.461 -3.674 -3.099 1.00 0.00 H new ATOM 0 HD2 HIS A 395 -5.180 -4.175 -6.768 1.00 0.00 H new ATOM 0 HE1 HIS A 395 -7.677 -7.447 -5.830 1.00 0.00 H new ATOM 0 HE2 HIS A 395 -6.414 -6.291 -7.736 1.00 0.00 H new ATOM 496 N PHE A 396 -4.005 -1.233 -2.780 1.00 0.00 N ATOM 497 CA PHE A 396 -3.865 -0.180 -1.720 1.00 0.00 C ATOM 498 C PHE A 396 -2.583 0.644 -1.925 1.00 0.00 C ATOM 499 O PHE A 396 -1.535 0.100 -2.221 1.00 0.00 O ATOM 500 CB PHE A 396 -3.772 -0.944 -0.393 1.00 0.00 C ATOM 501 CG PHE A 396 -4.985 -1.825 -0.200 1.00 0.00 C ATOM 502 CD1 PHE A 396 -5.064 -3.080 -0.861 1.00 0.00 C ATOM 503 CD2 PHE A 396 -6.040 -1.405 0.655 1.00 0.00 C ATOM 504 CE1 PHE A 396 -6.198 -3.915 -0.668 1.00 0.00 C ATOM 505 CE2 PHE A 396 -7.173 -2.240 0.848 1.00 0.00 C ATOM 506 CZ PHE A 396 -7.252 -3.495 0.186 1.00 0.00 C ATOM 0 H PHE A 396 -3.168 -1.788 -2.959 1.00 0.00 H new ATOM 0 HA PHE A 396 -4.704 0.515 -1.747 1.00 0.00 H new ATOM 0 HB2 PHE A 396 -2.868 -1.553 -0.380 1.00 0.00 H new ATOM 0 HB3 PHE A 396 -3.693 -0.239 0.434 1.00 0.00 H new ATOM 0 HD1 PHE A 396 -4.262 -3.400 -1.510 1.00 0.00 H new ATOM 0 HD2 PHE A 396 -5.980 -0.451 1.158 1.00 0.00 H new ATOM 0 HE1 PHE A 396 -6.258 -4.869 -1.171 1.00 0.00 H new ATOM 0 HE2 PHE A 396 -7.974 -1.921 1.498 1.00 0.00 H new ATOM 0 HZ PHE A 396 -8.114 -4.129 0.332 1.00 0.00 H new ATOM 516 N SER A 397 -2.651 1.949 -1.745 1.00 0.00 N ATOM 517 CA SER A 397 -1.424 2.793 -1.905 1.00 0.00 C ATOM 518 C SER A 397 -0.579 2.663 -0.643 1.00 0.00 C ATOM 519 O SER A 397 -1.056 2.194 0.374 1.00 0.00 O ATOM 520 CB SER A 397 -1.898 4.248 -2.063 1.00 0.00 C ATOM 521 OG SER A 397 -2.455 4.421 -3.358 1.00 0.00 O ATOM 0 H SER A 397 -3.499 2.459 -1.496 1.00 0.00 H new ATOM 0 HA SER A 397 -0.831 2.486 -2.766 1.00 0.00 H new ATOM 0 HB2 SER A 397 -2.640 4.486 -1.301 1.00 0.00 H new ATOM 0 HB3 SER A 397 -1.062 4.933 -1.919 1.00 0.00 H new ATOM 0 HG SER A 397 -3.033 5.212 -3.362 1.00 0.00 H new ATOM 527 N HIS A 398 0.660 3.079 -0.682 1.00 0.00 N ATOM 528 CA HIS A 398 1.516 2.981 0.532 1.00 0.00 C ATOM 529 C HIS A 398 2.431 4.212 0.607 1.00 0.00 C ATOM 530 O HIS A 398 2.630 4.879 -0.390 1.00 0.00 O ATOM 531 CB HIS A 398 2.340 1.702 0.351 1.00 0.00 C ATOM 532 CG HIS A 398 1.439 0.491 0.383 1.00 0.00 C ATOM 533 ND1 HIS A 398 0.842 -0.017 -0.761 1.00 0.00 N ATOM 534 CD2 HIS A 398 1.051 -0.339 1.408 1.00 0.00 C ATOM 535 CE1 HIS A 398 0.138 -1.108 -0.403 1.00 0.00 C ATOM 536 NE2 HIS A 398 0.232 -1.349 0.908 1.00 0.00 N ATOM 0 H HIS A 398 1.114 3.482 -1.502 1.00 0.00 H new ATOM 0 HA HIS A 398 0.934 2.947 1.453 1.00 0.00 H new ATOM 0 HB2 HIS A 398 2.878 1.739 -0.596 1.00 0.00 H new ATOM 0 HB3 HIS A 398 3.088 1.628 1.140 1.00 0.00 H new ATOM 0 HD1 HIS A 398 0.922 0.366 -1.703 1.00 0.00 H new ATOM 0 HD2 HIS A 398 1.337 -0.225 2.443 1.00 0.00 H new ATOM 0 HE1 HIS A 398 -0.433 -1.714 -1.091 1.00 0.00 H new ATOM 544 N PRO A 399 2.963 4.490 1.775 1.00 0.00 N ATOM 545 CA PRO A 399 3.855 5.667 1.928 1.00 0.00 C ATOM 546 C PRO A 399 5.080 5.493 1.019 1.00 0.00 C ATOM 547 O PRO A 399 5.621 4.407 0.914 1.00 0.00 O ATOM 548 CB PRO A 399 4.221 5.645 3.414 1.00 0.00 C ATOM 549 CG PRO A 399 4.017 4.226 3.822 1.00 0.00 C ATOM 550 CD PRO A 399 2.825 3.752 3.035 1.00 0.00 C ATOM 0 HA PRO A 399 3.404 6.618 1.643 1.00 0.00 H new ATOM 0 HB2 PRO A 399 5.252 5.961 3.575 1.00 0.00 H new ATOM 0 HB3 PRO A 399 3.587 6.320 3.990 1.00 0.00 H new ATOM 0 HG2 PRO A 399 4.898 3.623 3.602 1.00 0.00 H new ATOM 0 HG3 PRO A 399 3.837 4.147 4.894 1.00 0.00 H new ATOM 0 HD2 PRO A 399 2.845 2.674 2.878 1.00 0.00 H new ATOM 0 HD3 PRO A 399 1.887 3.983 3.540 1.00 0.00 H new ATOM 558 N GLY A 400 5.504 6.537 0.339 1.00 0.00 N ATOM 559 CA GLY A 400 6.672 6.397 -0.579 1.00 0.00 C ATOM 560 C GLY A 400 6.197 6.177 -2.038 1.00 0.00 C ATOM 561 O GLY A 400 7.015 6.092 -2.936 1.00 0.00 O ATOM 0 H GLY A 400 5.093 7.469 0.383 1.00 0.00 H new ATOM 0 HA2 GLY A 400 7.293 7.291 -0.524 1.00 0.00 H new ATOM 0 HA3 GLY A 400 7.292 5.558 -0.262 1.00 0.00 H new ATOM 565 N ASP A 401 4.896 6.101 -2.297 1.00 0.00 N ATOM 566 CA ASP A 401 4.418 5.911 -3.689 1.00 0.00 C ATOM 567 C ASP A 401 3.644 7.160 -4.109 1.00 0.00 C ATOM 568 O ASP A 401 3.044 7.819 -3.278 1.00 0.00 O ATOM 569 CB ASP A 401 3.500 4.689 -3.638 1.00 0.00 C ATOM 570 CG ASP A 401 4.301 3.437 -4.004 1.00 0.00 C ATOM 571 OD1 ASP A 401 4.767 3.363 -5.128 1.00 0.00 O ATOM 572 OD2 ASP A 401 4.436 2.574 -3.152 1.00 0.00 O ATOM 0 H ASP A 401 4.160 6.164 -1.593 1.00 0.00 H new ATOM 0 HA ASP A 401 5.225 5.761 -4.406 1.00 0.00 H new ATOM 0 HB2 ASP A 401 3.073 4.582 -2.641 1.00 0.00 H new ATOM 0 HB3 ASP A 401 2.667 4.817 -4.330 1.00 0.00 H new ATOM 577 N SER A 402 3.648 7.507 -5.373 1.00 0.00 N ATOM 578 CA SER A 402 2.900 8.742 -5.799 1.00 0.00 C ATOM 579 C SER A 402 1.418 8.659 -5.398 1.00 0.00 C ATOM 580 O SER A 402 0.788 9.674 -5.157 1.00 0.00 O ATOM 581 CB SER A 402 3.011 8.821 -7.326 1.00 0.00 C ATOM 582 OG SER A 402 2.235 7.780 -7.909 1.00 0.00 O ATOM 0 H SER A 402 4.126 7.002 -6.120 1.00 0.00 H new ATOM 0 HA SER A 402 3.322 9.623 -5.315 1.00 0.00 H new ATOM 0 HB2 SER A 402 2.661 9.792 -7.678 1.00 0.00 H new ATOM 0 HB3 SER A 402 4.053 8.728 -7.632 1.00 0.00 H new ATOM 0 HG SER A 402 2.303 7.829 -8.885 1.00 0.00 H new ATOM 588 N ASP A 403 0.834 7.477 -5.375 1.00 0.00 N ATOM 589 CA ASP A 403 -0.633 7.380 -5.048 1.00 0.00 C ATOM 590 C ASP A 403 -0.934 7.453 -3.541 1.00 0.00 C ATOM 591 O ASP A 403 -2.094 7.503 -3.181 1.00 0.00 O ATOM 592 CB ASP A 403 -1.100 6.021 -5.589 1.00 0.00 C ATOM 593 CG ASP A 403 -1.072 6.038 -7.119 1.00 0.00 C ATOM 594 OD1 ASP A 403 -1.401 7.065 -7.690 1.00 0.00 O ATOM 595 OD2 ASP A 403 -0.719 5.021 -7.695 1.00 0.00 O ATOM 0 H ASP A 403 1.300 6.590 -5.565 1.00 0.00 H new ATOM 0 HA ASP A 403 -1.152 8.227 -5.497 1.00 0.00 H new ATOM 0 HB2 ASP A 403 -0.454 5.228 -5.213 1.00 0.00 H new ATOM 0 HB3 ASP A 403 -2.109 5.805 -5.236 1.00 0.00 H new ATOM 600 N TYR A 404 0.056 7.428 -2.652 1.00 0.00 N ATOM 601 CA TYR A 404 -0.258 7.474 -1.159 1.00 0.00 C ATOM 602 C TYR A 404 -1.402 8.465 -0.858 1.00 0.00 C ATOM 603 O TYR A 404 -1.263 9.657 -1.055 1.00 0.00 O ATOM 604 CB TYR A 404 1.031 7.939 -0.464 1.00 0.00 C ATOM 605 CG TYR A 404 0.966 7.650 1.020 1.00 0.00 C ATOM 606 CD1 TYR A 404 0.554 6.371 1.487 1.00 0.00 C ATOM 607 CD2 TYR A 404 1.328 8.661 1.950 1.00 0.00 C ATOM 608 CE1 TYR A 404 0.503 6.109 2.882 1.00 0.00 C ATOM 609 CE2 TYR A 404 1.277 8.398 3.344 1.00 0.00 C ATOM 610 CZ TYR A 404 0.865 7.121 3.811 1.00 0.00 C ATOM 611 OH TYR A 404 0.815 6.866 5.166 1.00 0.00 O ATOM 0 H TYR A 404 1.048 7.379 -2.886 1.00 0.00 H new ATOM 0 HA TYR A 404 -0.583 6.495 -0.805 1.00 0.00 H new ATOM 0 HB2 TYR A 404 1.891 7.432 -0.902 1.00 0.00 H new ATOM 0 HB3 TYR A 404 1.174 9.007 -0.627 1.00 0.00 H new ATOM 0 HD1 TYR A 404 0.280 5.600 0.782 1.00 0.00 H new ATOM 0 HD2 TYR A 404 1.643 9.632 1.596 1.00 0.00 H new ATOM 0 HE1 TYR A 404 0.188 5.139 3.237 1.00 0.00 H new ATOM 0 HE2 TYR A 404 1.551 9.168 4.049 1.00 0.00 H new ATOM 0 HH TYR A 404 1.096 7.665 5.660 1.00 0.00 H new ATOM 621 N GLY A 405 -2.538 7.971 -0.405 1.00 0.00 N ATOM 622 CA GLY A 405 -3.687 8.893 -0.128 1.00 0.00 C ATOM 623 C GLY A 405 -4.761 8.192 0.721 1.00 0.00 C ATOM 624 O GLY A 405 -5.787 7.780 0.210 1.00 0.00 O ATOM 0 H GLY A 405 -2.714 6.984 -0.219 1.00 0.00 H new ATOM 0 HA2 GLY A 405 -3.329 9.781 0.393 1.00 0.00 H new ATOM 0 HA3 GLY A 405 -4.123 9.229 -1.068 1.00 0.00 H new ATOM 628 N GLY A 406 -4.542 8.065 2.013 1.00 0.00 N ATOM 629 CA GLY A 406 -5.575 7.399 2.873 1.00 0.00 C ATOM 630 C GLY A 406 -5.474 7.840 4.340 1.00 0.00 C ATOM 631 O GLY A 406 -6.413 8.400 4.876 1.00 0.00 O ATOM 0 H GLY A 406 -3.707 8.388 2.501 1.00 0.00 H new ATOM 0 HA2 GLY A 406 -6.569 7.633 2.492 1.00 0.00 H new ATOM 0 HA3 GLY A 406 -5.456 6.317 2.811 1.00 0.00 H new ATOM 635 N VAL A 407 -4.371 7.571 5.008 1.00 0.00 N ATOM 636 CA VAL A 407 -4.269 7.961 6.453 1.00 0.00 C ATOM 637 C VAL A 407 -3.283 9.128 6.656 1.00 0.00 C ATOM 638 O VAL A 407 -2.218 8.959 7.221 1.00 0.00 O ATOM 639 CB VAL A 407 -3.806 6.691 7.189 1.00 0.00 C ATOM 640 CG1 VAL A 407 -2.388 6.291 6.749 1.00 0.00 C ATOM 641 CG2 VAL A 407 -3.830 6.946 8.700 1.00 0.00 C ATOM 0 H VAL A 407 -3.550 7.106 4.621 1.00 0.00 H new ATOM 0 HA VAL A 407 -5.223 8.320 6.839 1.00 0.00 H new ATOM 0 HB VAL A 407 -4.483 5.873 6.941 1.00 0.00 H new ATOM 0 HG11 VAL A 407 -2.082 5.391 7.282 1.00 0.00 H new ATOM 0 HG12 VAL A 407 -2.381 6.097 5.676 1.00 0.00 H new ATOM 0 HG13 VAL A 407 -1.695 7.101 6.976 1.00 0.00 H new ATOM 0 HG21 VAL A 407 -3.503 6.049 9.226 1.00 0.00 H new ATOM 0 HG22 VAL A 407 -3.161 7.772 8.940 1.00 0.00 H new ATOM 0 HG23 VAL A 407 -4.844 7.199 9.010 1.00 0.00 H new ATOM 651 N GLN A 408 -3.640 10.319 6.220 1.00 0.00 N ATOM 652 CA GLN A 408 -2.734 11.488 6.408 1.00 0.00 C ATOM 653 C GLN A 408 -3.529 12.668 6.990 1.00 0.00 C ATOM 654 O GLN A 408 -4.018 13.509 6.260 1.00 0.00 O ATOM 655 CB GLN A 408 -2.213 11.820 5.009 1.00 0.00 C ATOM 656 CG GLN A 408 -1.013 10.925 4.685 1.00 0.00 C ATOM 657 CD GLN A 408 -1.038 10.547 3.199 1.00 0.00 C ATOM 658 OE1 GLN A 408 -0.749 11.368 2.351 1.00 0.00 O ATOM 659 NE2 GLN A 408 -1.372 9.332 2.838 1.00 0.00 N ATOM 0 H GLN A 408 -4.519 10.524 5.744 1.00 0.00 H new ATOM 0 HA GLN A 408 -1.917 11.279 7.098 1.00 0.00 H new ATOM 0 HB2 GLN A 408 -3.001 11.671 4.271 1.00 0.00 H new ATOM 0 HB3 GLN A 408 -1.922 12.869 4.957 1.00 0.00 H new ATOM 0 HG2 GLN A 408 -0.085 11.444 4.923 1.00 0.00 H new ATOM 0 HG3 GLN A 408 -1.041 10.025 5.300 1.00 0.00 H new ATOM 0 HE21 GLN A 408 -1.616 8.639 3.545 1.00 0.00 H new ATOM 0 HE22 GLN A 408 -1.388 9.080 1.850 1.00 0.00 H new ATOM 668 N ILE A 409 -3.668 12.735 8.300 1.00 0.00 N ATOM 669 CA ILE A 409 -4.441 13.863 8.914 1.00 0.00 C ATOM 670 C ILE A 409 -3.482 14.855 9.586 1.00 0.00 C ATOM 671 O ILE A 409 -3.475 15.001 10.794 1.00 0.00 O ATOM 672 CB ILE A 409 -5.370 13.212 9.949 1.00 0.00 C ATOM 673 CG1 ILE A 409 -6.273 12.184 9.258 1.00 0.00 C ATOM 674 CG2 ILE A 409 -6.241 14.284 10.608 1.00 0.00 C ATOM 675 CD1 ILE A 409 -6.949 11.304 10.311 1.00 0.00 C ATOM 0 H ILE A 409 -3.282 12.062 8.962 1.00 0.00 H new ATOM 0 HA ILE A 409 -5.008 14.424 8.171 1.00 0.00 H new ATOM 0 HB ILE A 409 -4.765 12.716 10.708 1.00 0.00 H new ATOM 0 HG12 ILE A 409 -7.026 12.693 8.657 1.00 0.00 H new ATOM 0 HG13 ILE A 409 -5.685 11.568 8.578 1.00 0.00 H new ATOM 0 HG21 ILE A 409 -6.899 13.818 11.342 1.00 0.00 H new ATOM 0 HG22 ILE A 409 -5.604 15.016 11.105 1.00 0.00 H new ATOM 0 HG23 ILE A 409 -6.842 14.783 9.847 1.00 0.00 H new ATOM 0 HD11 ILE A 409 -7.591 10.574 9.818 1.00 0.00 H new ATOM 0 HD12 ILE A 409 -6.188 10.784 10.893 1.00 0.00 H new ATOM 0 HD13 ILE A 409 -7.550 11.926 10.974 1.00 0.00 H new ATOM 687 N VAL A 410 -2.686 15.556 8.808 1.00 0.00 N ATOM 688 CA VAL A 410 -1.745 16.557 9.398 1.00 0.00 C ATOM 689 C VAL A 410 -2.171 17.962 8.949 1.00 0.00 C ATOM 690 O VAL A 410 -1.475 18.620 8.197 1.00 0.00 O ATOM 691 CB VAL A 410 -0.347 16.191 8.866 1.00 0.00 C ATOM 692 CG1 VAL A 410 -0.299 16.307 7.334 1.00 0.00 C ATOM 693 CG2 VAL A 410 0.686 17.138 9.485 1.00 0.00 C ATOM 0 H VAL A 410 -2.650 15.476 7.792 1.00 0.00 H new ATOM 0 HA VAL A 410 -1.746 16.549 10.488 1.00 0.00 H new ATOM 0 HB VAL A 410 -0.123 15.160 9.140 1.00 0.00 H new ATOM 0 HG11 VAL A 410 0.698 16.044 6.980 1.00 0.00 H new ATOM 0 HG12 VAL A 410 -1.031 15.629 6.895 1.00 0.00 H new ATOM 0 HG13 VAL A 410 -0.530 17.331 7.039 1.00 0.00 H new ATOM 0 HG21 VAL A 410 1.679 16.886 9.114 1.00 0.00 H new ATOM 0 HG22 VAL A 410 0.447 18.166 9.212 1.00 0.00 H new ATOM 0 HG23 VAL A 410 0.668 17.037 10.570 1.00 0.00 H new ATOM 703 N GLY A 411 -3.327 18.416 9.386 1.00 0.00 N ATOM 704 CA GLY A 411 -3.815 19.759 8.964 1.00 0.00 C ATOM 705 C GLY A 411 -4.880 19.561 7.878 1.00 0.00 C ATOM 706 O GLY A 411 -4.771 20.098 6.793 1.00 0.00 O ATOM 0 H GLY A 411 -3.948 17.909 10.016 1.00 0.00 H new ATOM 0 HA2 GLY A 411 -4.235 20.296 9.815 1.00 0.00 H new ATOM 0 HA3 GLY A 411 -2.990 20.361 8.583 1.00 0.00 H new ATOM 710 N GLN A 412 -5.908 18.778 8.156 1.00 0.00 N ATOM 711 CA GLN A 412 -6.972 18.540 7.113 1.00 0.00 C ATOM 712 C GLN A 412 -7.575 19.878 6.656 1.00 0.00 C ATOM 713 O GLN A 412 -7.843 20.067 5.484 1.00 0.00 O ATOM 714 CB GLN A 412 -8.060 17.660 7.762 1.00 0.00 C ATOM 715 CG GLN A 412 -7.495 16.271 8.115 1.00 0.00 C ATOM 716 CD GLN A 412 -6.882 15.607 6.871 1.00 0.00 C ATOM 717 OE1 GLN A 412 -7.523 14.806 6.221 1.00 0.00 O ATOM 718 NE2 GLN A 412 -5.657 15.908 6.509 1.00 0.00 N ATOM 0 H GLN A 412 -6.055 18.301 9.045 1.00 0.00 H new ATOM 0 HA GLN A 412 -6.550 18.048 6.237 1.00 0.00 H new ATOM 0 HB2 GLN A 412 -8.438 18.144 8.662 1.00 0.00 H new ATOM 0 HB3 GLN A 412 -8.903 17.553 7.080 1.00 0.00 H new ATOM 0 HG2 GLN A 412 -6.738 16.367 8.894 1.00 0.00 H new ATOM 0 HG3 GLN A 412 -8.288 15.641 8.517 1.00 0.00 H new ATOM 0 HE21 GLN A 412 -5.115 16.580 7.052 1.00 0.00 H new ATOM 0 HE22 GLN A 412 -5.247 15.470 5.684 1.00 0.00 H new ATOM 727 N ASP A 413 -7.779 20.811 7.562 1.00 0.00 N ATOM 728 CA ASP A 413 -8.352 22.132 7.157 1.00 0.00 C ATOM 729 C ASP A 413 -7.290 23.234 7.302 1.00 0.00 C ATOM 730 O ASP A 413 -7.599 24.345 7.692 1.00 0.00 O ATOM 731 CB ASP A 413 -9.520 22.379 8.115 1.00 0.00 C ATOM 732 CG ASP A 413 -10.714 21.517 7.699 1.00 0.00 C ATOM 733 OD1 ASP A 413 -10.561 20.308 7.661 1.00 0.00 O ATOM 734 OD2 ASP A 413 -11.760 22.082 7.426 1.00 0.00 O ATOM 0 H ASP A 413 -7.574 20.712 8.556 1.00 0.00 H new ATOM 0 HA ASP A 413 -8.678 22.137 6.117 1.00 0.00 H new ATOM 0 HB2 ASP A 413 -9.223 22.139 9.136 1.00 0.00 H new ATOM 0 HB3 ASP A 413 -9.797 23.433 8.103 1.00 0.00 H new ATOM 739 N GLU A 414 -6.039 22.942 6.995 1.00 0.00 N ATOM 740 CA GLU A 414 -4.975 23.984 7.124 1.00 0.00 C ATOM 741 C GLU A 414 -3.872 23.759 6.075 1.00 0.00 C ATOM 742 O GLU A 414 -2.700 23.752 6.398 1.00 0.00 O ATOM 743 CB GLU A 414 -4.416 23.803 8.538 1.00 0.00 C ATOM 744 CG GLU A 414 -4.173 25.174 9.172 1.00 0.00 C ATOM 745 CD GLU A 414 -3.770 24.995 10.637 1.00 0.00 C ATOM 746 OE1 GLU A 414 -4.659 24.889 11.466 1.00 0.00 O ATOM 747 OE2 GLU A 414 -2.581 24.969 10.906 1.00 0.00 O ATOM 0 H GLU A 414 -5.718 22.032 6.664 1.00 0.00 H new ATOM 0 HA GLU A 414 -5.362 24.990 6.961 1.00 0.00 H new ATOM 0 HB2 GLU A 414 -5.115 23.229 9.146 1.00 0.00 H new ATOM 0 HB3 GLU A 414 -3.485 23.237 8.502 1.00 0.00 H new ATOM 0 HG2 GLU A 414 -3.389 25.703 8.630 1.00 0.00 H new ATOM 0 HG3 GLU A 414 -5.074 25.783 9.104 1.00 0.00 H new ATOM 754 N THR A 415 -4.236 23.580 4.822 1.00 0.00 N ATOM 755 CA THR A 415 -3.201 23.359 3.768 1.00 0.00 C ATOM 756 C THR A 415 -3.177 24.550 2.797 1.00 0.00 C ATOM 757 O THR A 415 -3.514 24.417 1.634 1.00 0.00 O ATOM 758 CB THR A 415 -3.623 22.076 3.043 1.00 0.00 C ATOM 759 OG1 THR A 415 -5.013 21.851 3.238 1.00 0.00 O ATOM 760 CG2 THR A 415 -2.830 20.895 3.601 1.00 0.00 C ATOM 0 H THR A 415 -5.201 23.578 4.491 1.00 0.00 H new ATOM 0 HA THR A 415 -2.199 23.269 4.188 1.00 0.00 H new ATOM 0 HB THR A 415 -3.422 22.179 1.977 1.00 0.00 H new ATOM 0 HG1 THR A 415 -5.280 21.031 2.772 1.00 0.00 H new ATOM 0 HG21 THR A 415 -3.128 19.981 3.087 1.00 0.00 H new ATOM 0 HG22 THR A 415 -1.765 21.067 3.447 1.00 0.00 H new ATOM 0 HG23 THR A 415 -3.031 20.793 4.668 1.00 0.00 H new ATOM 768 N ASP A 416 -2.780 25.716 3.264 1.00 0.00 N ATOM 769 CA ASP A 416 -2.736 26.909 2.364 1.00 0.00 C ATOM 770 C ASP A 416 -1.522 27.788 2.707 1.00 0.00 C ATOM 771 O ASP A 416 -1.617 29.001 2.709 1.00 0.00 O ATOM 772 CB ASP A 416 -4.038 27.661 2.641 1.00 0.00 C ATOM 773 CG ASP A 416 -4.497 28.373 1.366 1.00 0.00 C ATOM 774 OD1 ASP A 416 -3.660 28.973 0.712 1.00 0.00 O ATOM 775 OD2 ASP A 416 -5.677 28.305 1.067 1.00 0.00 O ATOM 0 H ASP A 416 -2.487 25.888 4.226 1.00 0.00 H new ATOM 0 HA ASP A 416 -2.641 26.632 1.314 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -4.807 26.966 2.979 1.00 0.00 H new ATOM 0 HB3 ASP A 416 -3.889 28.386 3.441 1.00 0.00 H new ATOM 780 N ASP A 417 -0.383 27.190 2.995 1.00 0.00 N ATOM 781 CA ASP A 417 0.824 28.002 3.333 1.00 0.00 C ATOM 782 C ASP A 417 1.971 27.668 2.377 1.00 0.00 C ATOM 783 O ASP A 417 3.029 28.259 2.523 1.00 0.00 O ATOM 784 CB ASP A 417 1.183 27.599 4.765 1.00 0.00 C ATOM 785 CG ASP A 417 2.139 28.633 5.361 1.00 0.00 C ATOM 786 OD1 ASP A 417 1.790 29.803 5.362 1.00 0.00 O ATOM 787 OD2 ASP A 417 3.204 28.238 5.808 1.00 0.00 O ATOM 0 H ASP A 417 -0.244 26.180 3.009 1.00 0.00 H new ATOM 0 HA ASP A 417 0.640 29.073 3.245 1.00 0.00 H new ATOM 0 HB2 ASP A 417 0.280 27.530 5.372 1.00 0.00 H new ATOM 0 HB3 ASP A 417 1.647 26.613 4.771 1.00 0.00 H new TER 792 ASP A 417 HETATM 793 ZN ZN A1001 -0.602 -2.896 1.945 1.00 0.00 ZN