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 180:sc= 0 USER MOD Single : A 369 SER OG : rot 180:sc= 0 USER MOD Single : A 372 ASN : amide:sc= 0 X(o=0,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 172:sc= 1.11 USER MOD Single : A 380 MET CE :methyl 144:sc= -0.509 (180deg=-2.23!) USER MOD Single : A 381 TYR OH : rot 180:sc= -0.0623 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= -1.89 K(o=-1.9,f=-2.4!) USER MOD Single : A 395 HIS : no HD1:sc= -0.867 K(o=-0.87,f=-0.26) USER MOD Single : A 397 SER OG : rot 180:sc= -2.43! USER MOD Single : A 402 SER OG : rot 180:sc= 0 USER MOD Single : A 404 TYR OH : rot -39:sc= -1.24 USER MOD Single : A 408 GLN : amide:sc= -0.0749 X(o=-0.075,f=0) USER MOD Single : A 412 GLN : amide:sc= -4.64! C(o=-4.6!,f=-3.3!) USER MOD Single : A 415 THR OG1 : rot 180:sc= 0.0263 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 363 15.005 3.788 -5.639 1.00 0.00 N ATOM 2 CA GLY A 363 16.022 3.210 -6.564 1.00 0.00 C ATOM 3 C GLY A 363 15.383 2.959 -7.939 1.00 0.00 C ATOM 4 O GLY A 363 14.388 3.574 -8.271 1.00 0.00 O ATOM 0 HA2 GLY A 363 16.867 3.891 -6.663 1.00 0.00 H new ATOM 0 HA3 GLY A 363 16.411 2.277 -6.156 1.00 0.00 H new ATOM 10 N PRO A 364 15.969 2.063 -8.703 1.00 0.00 N ATOM 11 CA PRO A 364 15.424 1.752 -10.048 1.00 0.00 C ATOM 12 C PRO A 364 14.123 0.942 -9.926 1.00 0.00 C ATOM 13 O PRO A 364 14.025 0.049 -9.105 1.00 0.00 O ATOM 14 CB PRO A 364 16.523 0.919 -10.702 1.00 0.00 C ATOM 15 CG PRO A 364 17.278 0.310 -9.564 1.00 0.00 C ATOM 16 CD PRO A 364 17.171 1.263 -8.403 1.00 0.00 C ATOM 0 HA PRO A 364 15.175 2.644 -10.623 1.00 0.00 H new ATOM 0 HB2 PRO A 364 16.102 0.152 -11.352 1.00 0.00 H new ATOM 0 HB3 PRO A 364 17.173 1.539 -11.320 1.00 0.00 H new ATOM 0 HG2 PRO A 364 16.863 -0.663 -9.303 1.00 0.00 H new ATOM 0 HG3 PRO A 364 18.321 0.149 -9.836 1.00 0.00 H new ATOM 0 HD2 PRO A 364 17.069 0.730 -7.458 1.00 0.00 H new ATOM 0 HD3 PRO A 364 18.058 1.892 -8.320 1.00 0.00 H new ATOM 24 N LEU A 365 13.126 1.243 -10.732 1.00 0.00 N ATOM 25 CA LEU A 365 11.842 0.483 -10.651 1.00 0.00 C ATOM 26 C LEU A 365 11.526 -0.173 -12.004 1.00 0.00 C ATOM 27 O LEU A 365 11.454 -1.384 -12.105 1.00 0.00 O ATOM 28 CB LEU A 365 10.784 1.531 -10.304 1.00 0.00 C ATOM 29 CG LEU A 365 10.826 1.822 -8.803 1.00 0.00 C ATOM 30 CD1 LEU A 365 10.272 3.223 -8.538 1.00 0.00 C ATOM 31 CD2 LEU A 365 9.974 0.790 -8.060 1.00 0.00 C ATOM 0 H LEU A 365 13.150 1.979 -11.437 1.00 0.00 H new ATOM 0 HA LEU A 365 11.882 -0.317 -9.912 1.00 0.00 H new ATOM 0 HB2 LEU A 365 10.965 2.446 -10.868 1.00 0.00 H new ATOM 0 HB3 LEU A 365 9.795 1.172 -10.588 1.00 0.00 H new ATOM 0 HG LEU A 365 11.856 1.766 -8.452 1.00 0.00 H new ATOM 0 HD11 LEU A 365 10.302 3.430 -7.468 1.00 0.00 H new ATOM 0 HD12 LEU A 365 10.877 3.959 -9.067 1.00 0.00 H new ATOM 0 HD13 LEU A 365 9.242 3.279 -8.890 1.00 0.00 H new ATOM 0 HD21 LEU A 365 10.003 0.996 -6.990 1.00 0.00 H new ATOM 0 HD22 LEU A 365 8.944 0.847 -8.413 1.00 0.00 H new ATOM 0 HD23 LEU A 365 10.367 -0.209 -8.248 1.00 0.00 H new ATOM 43 N GLY A 366 11.337 0.610 -13.047 1.00 0.00 N ATOM 44 CA GLY A 366 11.029 0.019 -14.382 1.00 0.00 C ATOM 45 C GLY A 366 9.584 0.362 -14.774 1.00 0.00 C ATOM 46 O GLY A 366 9.316 0.711 -15.909 1.00 0.00 O ATOM 0 H GLY A 366 11.384 1.629 -13.025 1.00 0.00 H new ATOM 0 HA2 GLY A 366 11.721 0.405 -15.131 1.00 0.00 H new ATOM 0 HA3 GLY A 366 11.162 -1.062 -14.352 1.00 0.00 H new ATOM 50 N SER A 367 8.649 0.265 -13.851 1.00 0.00 N ATOM 51 CA SER A 367 7.230 0.588 -14.185 1.00 0.00 C ATOM 52 C SER A 367 6.583 1.386 -13.042 1.00 0.00 C ATOM 53 O SER A 367 6.161 2.511 -13.232 1.00 0.00 O ATOM 54 CB SER A 367 6.544 -0.767 -14.349 1.00 0.00 C ATOM 55 OG SER A 367 6.901 -1.325 -15.607 1.00 0.00 O ATOM 0 H SER A 367 8.812 -0.023 -12.886 1.00 0.00 H new ATOM 0 HA SER A 367 7.146 1.199 -15.084 1.00 0.00 H new ATOM 0 HB2 SER A 367 6.841 -1.438 -13.543 1.00 0.00 H new ATOM 0 HB3 SER A 367 5.462 -0.650 -14.284 1.00 0.00 H new ATOM 0 HG SER A 367 6.464 -2.195 -15.715 1.00 0.00 H new ATOM 61 N GLY A 368 6.498 0.816 -11.856 1.00 0.00 N ATOM 62 CA GLY A 368 5.877 1.551 -10.715 1.00 0.00 C ATOM 63 C GLY A 368 4.985 0.594 -9.912 1.00 0.00 C ATOM 64 O GLY A 368 4.924 -0.587 -10.201 1.00 0.00 O ATOM 0 H GLY A 368 6.832 -0.122 -11.637 1.00 0.00 H new ATOM 0 HA2 GLY A 368 6.652 1.967 -10.072 1.00 0.00 H new ATOM 0 HA3 GLY A 368 5.287 2.389 -11.087 1.00 0.00 H new ATOM 68 N SER A 369 4.292 1.086 -8.904 1.00 0.00 N ATOM 69 CA SER A 369 3.411 0.194 -8.093 1.00 0.00 C ATOM 70 C SER A 369 1.990 0.778 -8.016 1.00 0.00 C ATOM 71 O SER A 369 1.584 1.293 -6.990 1.00 0.00 O ATOM 72 CB SER A 369 4.056 0.156 -6.708 1.00 0.00 C ATOM 73 OG SER A 369 5.227 -0.648 -6.758 1.00 0.00 O ATOM 0 H SER A 369 4.303 2.064 -8.614 1.00 0.00 H new ATOM 0 HA SER A 369 3.319 -0.802 -8.525 1.00 0.00 H new ATOM 0 HB2 SER A 369 4.308 1.166 -6.383 1.00 0.00 H new ATOM 0 HB3 SER A 369 3.354 -0.248 -5.978 1.00 0.00 H new ATOM 0 HG SER A 369 5.644 -0.673 -5.872 1.00 0.00 H new ATOM 79 N GLU A 370 1.230 0.707 -9.091 1.00 0.00 N ATOM 80 CA GLU A 370 -0.160 1.264 -9.063 1.00 0.00 C ATOM 81 C GLU A 370 -1.079 0.474 -10.011 1.00 0.00 C ATOM 82 O GLU A 370 -0.664 -0.503 -10.606 1.00 0.00 O ATOM 83 CB GLU A 370 -0.022 2.719 -9.527 1.00 0.00 C ATOM 84 CG GLU A 370 0.618 2.773 -10.917 1.00 0.00 C ATOM 85 CD GLU A 370 2.134 2.916 -10.777 1.00 0.00 C ATOM 86 OE1 GLU A 370 2.571 3.955 -10.307 1.00 0.00 O ATOM 87 OE2 GLU A 370 2.835 1.986 -11.140 1.00 0.00 O ATOM 0 H GLU A 370 1.513 0.290 -9.978 1.00 0.00 H new ATOM 0 HA GLU A 370 -0.606 1.197 -8.070 1.00 0.00 H new ATOM 0 HB2 GLU A 370 -1.002 3.195 -9.551 1.00 0.00 H new ATOM 0 HB3 GLU A 370 0.586 3.279 -8.817 1.00 0.00 H new ATOM 0 HG2 GLU A 370 0.378 1.868 -11.475 1.00 0.00 H new ATOM 0 HG3 GLU A 370 0.214 3.613 -11.482 1.00 0.00 H new ATOM 94 N GLY A 371 -2.323 0.884 -10.156 1.00 0.00 N ATOM 95 CA GLY A 371 -3.253 0.147 -11.063 1.00 0.00 C ATOM 96 C GLY A 371 -3.329 0.864 -12.419 1.00 0.00 C ATOM 97 O GLY A 371 -2.512 0.633 -13.291 1.00 0.00 O ATOM 0 H GLY A 371 -2.727 1.694 -9.685 1.00 0.00 H new ATOM 0 HA2 GLY A 371 -2.906 -0.877 -11.201 1.00 0.00 H new ATOM 0 HA3 GLY A 371 -4.245 0.090 -10.615 1.00 0.00 H new ATOM 101 N ASN A 372 -4.301 1.734 -12.608 1.00 0.00 N ATOM 102 CA ASN A 372 -4.416 2.457 -13.910 1.00 0.00 C ATOM 103 C ASN A 372 -4.300 3.973 -13.685 1.00 0.00 C ATOM 104 O ASN A 372 -5.239 4.713 -13.915 1.00 0.00 O ATOM 105 CB ASN A 372 -5.803 2.092 -14.441 1.00 0.00 C ATOM 106 CG ASN A 372 -5.803 0.633 -14.909 1.00 0.00 C ATOM 107 OD1 ASN A 372 -6.453 -0.204 -14.314 1.00 0.00 O ATOM 108 ND2 ASN A 372 -5.096 0.284 -15.956 1.00 0.00 N ATOM 0 H ASN A 372 -5.013 1.969 -11.917 1.00 0.00 H new ATOM 0 HA ASN A 372 -3.628 2.182 -14.611 1.00 0.00 H new ATOM 0 HB2 ASN A 372 -6.552 2.235 -13.662 1.00 0.00 H new ATOM 0 HB3 ASN A 372 -6.073 2.750 -15.267 1.00 0.00 H new ATOM 0 HD21 ASN A 372 -5.093 -0.687 -16.269 1.00 0.00 H new ATOM 0 HD22 ASN A 372 -4.549 0.983 -16.458 1.00 0.00 H new ATOM 115 N LYS A 373 -3.152 4.451 -13.234 1.00 0.00 N ATOM 116 CA LYS A 373 -2.980 5.921 -12.994 1.00 0.00 C ATOM 117 C LYS A 373 -4.110 6.460 -12.098 1.00 0.00 C ATOM 118 O LYS A 373 -4.848 7.345 -12.488 1.00 0.00 O ATOM 119 CB LYS A 373 -3.029 6.569 -14.383 1.00 0.00 C ATOM 120 CG LYS A 373 -1.693 6.350 -15.097 1.00 0.00 C ATOM 121 CD LYS A 373 -1.609 4.909 -15.603 1.00 0.00 C ATOM 122 CE LYS A 373 -0.787 4.868 -16.894 1.00 0.00 C ATOM 123 NZ LYS A 373 0.037 3.631 -16.790 1.00 0.00 N ATOM 0 H LYS A 373 -2.332 3.882 -13.024 1.00 0.00 H new ATOM 0 HA LYS A 373 -2.044 6.142 -12.480 1.00 0.00 H new ATOM 0 HB2 LYS A 373 -3.841 6.138 -14.968 1.00 0.00 H new ATOM 0 HB3 LYS A 373 -3.234 7.636 -14.291 1.00 0.00 H new ATOM 0 HG2 LYS A 373 -1.597 7.045 -15.931 1.00 0.00 H new ATOM 0 HG3 LYS A 373 -0.867 6.555 -14.415 1.00 0.00 H new ATOM 0 HD2 LYS A 373 -1.150 4.273 -14.846 1.00 0.00 H new ATOM 0 HD3 LYS A 373 -2.610 4.517 -15.784 1.00 0.00 H new ATOM 0 HE2 LYS A 373 -1.433 4.839 -17.772 1.00 0.00 H new ATOM 0 HE3 LYS A 373 -0.159 5.753 -16.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 373 0.628 3.535 -17.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 373 0.647 3.690 -15.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 373 -0.588 2.804 -16.707 1.00 0.00 H new ATOM 137 N VAL A 374 -4.250 5.931 -10.899 1.00 0.00 N ATOM 138 CA VAL A 374 -5.326 6.415 -9.994 1.00 0.00 C ATOM 139 C VAL A 374 -4.782 6.590 -8.570 1.00 0.00 C ATOM 140 O VAL A 374 -3.763 6.024 -8.222 1.00 0.00 O ATOM 141 CB VAL A 374 -6.401 5.320 -10.037 1.00 0.00 C ATOM 142 CG1 VAL A 374 -5.834 3.988 -9.521 1.00 0.00 C ATOM 143 CG2 VAL A 374 -7.592 5.745 -9.171 1.00 0.00 C ATOM 0 H VAL A 374 -3.663 5.189 -10.518 1.00 0.00 H new ATOM 0 HA VAL A 374 -5.722 7.384 -10.299 1.00 0.00 H new ATOM 0 HB VAL A 374 -6.725 5.182 -11.068 1.00 0.00 H new ATOM 0 HG11 VAL A 374 -6.610 3.223 -9.559 1.00 0.00 H new ATOM 0 HG12 VAL A 374 -4.994 3.684 -10.146 1.00 0.00 H new ATOM 0 HG13 VAL A 374 -5.495 4.111 -8.492 1.00 0.00 H new ATOM 0 HG21 VAL A 374 -8.357 4.970 -9.199 1.00 0.00 H new ATOM 0 HG22 VAL A 374 -7.261 5.891 -8.143 1.00 0.00 H new ATOM 0 HG23 VAL A 374 -8.006 6.678 -9.554 1.00 0.00 H new ATOM 153 N LYS A 375 -5.460 7.348 -7.738 1.00 0.00 N ATOM 154 CA LYS A 375 -4.973 7.521 -6.329 1.00 0.00 C ATOM 155 C LYS A 375 -5.511 6.368 -5.469 1.00 0.00 C ATOM 156 O LYS A 375 -6.600 6.442 -4.930 1.00 0.00 O ATOM 157 CB LYS A 375 -5.513 8.868 -5.835 1.00 0.00 C ATOM 158 CG LYS A 375 -4.506 9.969 -6.170 1.00 0.00 C ATOM 159 CD LYS A 375 -5.025 11.313 -5.656 1.00 0.00 C ATOM 160 CE LYS A 375 -4.504 11.556 -4.235 1.00 0.00 C ATOM 161 NZ LYS A 375 -4.111 12.995 -4.205 1.00 0.00 N ATOM 0 H LYS A 375 -6.318 7.848 -7.969 1.00 0.00 H new ATOM 0 HA LYS A 375 -3.885 7.508 -6.269 1.00 0.00 H new ATOM 0 HB2 LYS A 375 -6.473 9.082 -6.304 1.00 0.00 H new ATOM 0 HB3 LYS A 375 -5.685 8.832 -4.759 1.00 0.00 H new ATOM 0 HG2 LYS A 375 -3.541 9.743 -5.717 1.00 0.00 H new ATOM 0 HG3 LYS A 375 -4.349 10.016 -7.248 1.00 0.00 H new ATOM 0 HD2 LYS A 375 -4.699 12.117 -6.316 1.00 0.00 H new ATOM 0 HD3 LYS A 375 -6.115 11.319 -5.661 1.00 0.00 H new ATOM 0 HE2 LYS A 375 -5.272 11.342 -3.492 1.00 0.00 H new ATOM 0 HE3 LYS A 375 -3.655 10.911 -4.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 375 -3.744 13.235 -3.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 375 -3.374 13.168 -4.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 375 -4.941 13.586 -4.414 1.00 0.00 H new ATOM 175 N ARG A 376 -4.756 5.298 -5.348 1.00 0.00 N ATOM 176 CA ARG A 376 -5.239 4.141 -4.530 1.00 0.00 C ATOM 177 C ARG A 376 -5.405 4.553 -3.069 1.00 0.00 C ATOM 178 O ARG A 376 -4.719 5.432 -2.578 1.00 0.00 O ATOM 179 CB ARG A 376 -4.208 3.004 -4.659 1.00 0.00 C ATOM 180 CG ARG A 376 -4.764 1.910 -5.580 1.00 0.00 C ATOM 181 CD ARG A 376 -6.036 1.295 -4.952 1.00 0.00 C ATOM 182 NE ARG A 376 -7.222 1.900 -5.664 1.00 0.00 N ATOM 183 CZ ARG A 376 -8.419 1.923 -5.096 1.00 0.00 C ATOM 184 NH1 ARG A 376 -8.634 1.374 -3.922 1.00 0.00 N ATOM 185 NH2 ARG A 376 -9.420 2.488 -5.721 1.00 0.00 N ATOM 0 H ARG A 376 -3.838 5.178 -5.775 1.00 0.00 H new ATOM 0 HA ARG A 376 -6.212 3.806 -4.890 1.00 0.00 H new ATOM 0 HB2 ARG A 376 -3.272 3.392 -5.061 1.00 0.00 H new ATOM 0 HB3 ARG A 376 -3.985 2.588 -3.676 1.00 0.00 H new ATOM 0 HG2 ARG A 376 -4.997 2.329 -6.559 1.00 0.00 H new ATOM 0 HG3 ARG A 376 -4.013 1.136 -5.735 1.00 0.00 H new ATOM 0 HD2 ARG A 376 -6.034 0.211 -5.062 1.00 0.00 H new ATOM 0 HD3 ARG A 376 -6.079 1.507 -3.884 1.00 0.00 H new ATOM 0 HE ARG A 376 -7.100 2.297 -6.596 1.00 0.00 H new ATOM 0 HH11 ARG A 376 -7.870 0.916 -3.426 1.00 0.00 H new ATOM 0 HH12 ARG A 376 -9.565 1.406 -3.507 1.00 0.00 H new ATOM 0 HH21 ARG A 376 -9.276 2.907 -6.640 1.00 0.00 H new ATOM 0 HH22 ARG A 376 -10.344 2.509 -5.290 1.00 0.00 H new ATOM 199 N THR A 377 -6.312 3.912 -2.366 1.00 0.00 N ATOM 200 CA THR A 377 -6.519 4.259 -0.929 1.00 0.00 C ATOM 201 C THR A 377 -5.310 3.749 -0.145 1.00 0.00 C ATOM 202 O THR A 377 -4.730 2.757 -0.518 1.00 0.00 O ATOM 203 CB THR A 377 -7.835 3.564 -0.507 1.00 0.00 C ATOM 204 OG1 THR A 377 -8.256 4.071 0.752 1.00 0.00 O ATOM 205 CG2 THR A 377 -7.652 2.041 -0.410 1.00 0.00 C ATOM 0 H THR A 377 -6.912 3.170 -2.726 1.00 0.00 H new ATOM 0 HA THR A 377 -6.602 5.330 -0.742 1.00 0.00 H new ATOM 0 HB THR A 377 -8.590 3.771 -1.265 1.00 0.00 H new ATOM 0 HG1 THR A 377 -9.091 3.632 1.019 1.00 0.00 H new ATOM 0 HG21 THR A 377 -8.593 1.580 -0.112 1.00 0.00 H new ATOM 0 HG22 THR A 377 -7.347 1.649 -1.380 1.00 0.00 H new ATOM 0 HG23 THR A 377 -6.885 1.813 0.331 1.00 0.00 H new ATOM 213 N SER A 378 -4.931 4.390 0.936 1.00 0.00 N ATOM 214 CA SER A 378 -3.745 3.875 1.706 1.00 0.00 C ATOM 215 C SER A 378 -4.063 2.469 2.222 1.00 0.00 C ATOM 216 O SER A 378 -5.218 2.089 2.293 1.00 0.00 O ATOM 217 CB SER A 378 -3.505 4.834 2.877 1.00 0.00 C ATOM 218 OG SER A 378 -2.514 4.284 3.735 1.00 0.00 O ATOM 0 H SER A 378 -5.376 5.226 1.314 1.00 0.00 H new ATOM 0 HA SER A 378 -2.854 3.822 1.080 1.00 0.00 H new ATOM 0 HB2 SER A 378 -3.183 5.807 2.506 1.00 0.00 H new ATOM 0 HB3 SER A 378 -4.432 4.994 3.428 1.00 0.00 H new ATOM 0 HG SER A 378 -2.266 4.945 4.415 1.00 0.00 H new ATOM 224 N CYS A 379 -3.072 1.695 2.599 1.00 0.00 N ATOM 225 CA CYS A 379 -3.372 0.317 3.132 1.00 0.00 C ATOM 226 C CYS A 379 -3.876 0.426 4.571 1.00 0.00 C ATOM 227 O CYS A 379 -3.741 1.459 5.200 1.00 0.00 O ATOM 228 CB CYS A 379 -2.050 -0.463 3.085 1.00 0.00 C ATOM 229 SG CYS A 379 -2.389 -2.227 2.894 1.00 0.00 S ATOM 0 H CYS A 379 -2.084 1.947 2.564 1.00 0.00 H new ATOM 0 HA CYS A 379 -4.141 -0.186 2.545 1.00 0.00 H new ATOM 0 HB2 CYS A 379 -1.437 -0.109 2.256 1.00 0.00 H new ATOM 0 HB3 CYS A 379 -1.482 -0.289 3.999 1.00 0.00 H new ATOM 234 N MET A 380 -4.452 -0.628 5.109 1.00 0.00 N ATOM 235 CA MET A 380 -4.954 -0.561 6.526 1.00 0.00 C ATOM 236 C MET A 380 -3.798 -0.223 7.480 1.00 0.00 C ATOM 237 O MET A 380 -3.979 0.499 8.444 1.00 0.00 O ATOM 238 CB MET A 380 -5.515 -1.952 6.850 1.00 0.00 C ATOM 239 CG MET A 380 -6.566 -1.847 7.963 1.00 0.00 C ATOM 240 SD MET A 380 -8.140 -2.573 7.418 1.00 0.00 S ATOM 241 CE MET A 380 -7.490 -4.153 6.812 1.00 0.00 C ATOM 0 H MET A 380 -4.595 -1.521 4.637 1.00 0.00 H new ATOM 0 HA MET A 380 -5.715 0.211 6.642 1.00 0.00 H new ATOM 0 HB2 MET A 380 -5.961 -2.390 5.957 1.00 0.00 H new ATOM 0 HB3 MET A 380 -4.708 -2.615 7.162 1.00 0.00 H new ATOM 0 HG2 MET A 380 -6.211 -2.361 8.857 1.00 0.00 H new ATOM 0 HG3 MET A 380 -6.715 -0.802 8.234 1.00 0.00 H new ATOM 0 HE1 MET A 380 -8.206 -4.947 7.025 1.00 0.00 H new ATOM 0 HE2 MET A 380 -7.327 -4.091 5.736 1.00 0.00 H new ATOM 0 HE3 MET A 380 -6.546 -4.373 7.310 1.00 0.00 H new ATOM 251 N TYR A 381 -2.608 -0.731 7.218 1.00 0.00 N ATOM 252 CA TYR A 381 -1.451 -0.415 8.123 1.00 0.00 C ATOM 253 C TYR A 381 -0.794 0.918 7.729 1.00 0.00 C ATOM 254 O TYR A 381 -0.169 1.557 8.554 1.00 0.00 O ATOM 255 CB TYR A 381 -0.447 -1.567 7.967 1.00 0.00 C ATOM 256 CG TYR A 381 -1.023 -2.824 8.574 1.00 0.00 C ATOM 257 CD1 TYR A 381 -0.792 -3.120 9.945 1.00 0.00 C ATOM 258 CD2 TYR A 381 -1.793 -3.711 7.776 1.00 0.00 C ATOM 259 CE1 TYR A 381 -1.331 -4.304 10.516 1.00 0.00 C ATOM 260 CE2 TYR A 381 -2.332 -4.894 8.347 1.00 0.00 C ATOM 261 CZ TYR A 381 -2.101 -5.191 9.717 1.00 0.00 C ATOM 262 OH TYR A 381 -2.623 -6.342 10.271 1.00 0.00 O ATOM 0 H TYR A 381 -2.393 -1.341 6.429 1.00 0.00 H new ATOM 0 HA TYR A 381 -1.785 -0.315 9.156 1.00 0.00 H new ATOM 0 HB2 TYR A 381 -0.224 -1.729 6.912 1.00 0.00 H new ATOM 0 HB3 TYR A 381 0.493 -1.312 8.456 1.00 0.00 H new ATOM 0 HD1 TYR A 381 -0.207 -2.445 10.552 1.00 0.00 H new ATOM 0 HD2 TYR A 381 -1.969 -3.486 6.734 1.00 0.00 H new ATOM 0 HE1 TYR A 381 -1.155 -4.530 11.557 1.00 0.00 H new ATOM 0 HE2 TYR A 381 -2.918 -5.568 7.740 1.00 0.00 H new ATOM 0 HH TYR A 381 -3.124 -6.836 9.588 1.00 0.00 H new ATOM 272 N GLY A 382 -0.923 1.357 6.489 1.00 0.00 N ATOM 273 CA GLY A 382 -0.299 2.648 6.090 1.00 0.00 C ATOM 274 C GLY A 382 1.229 2.509 6.071 1.00 0.00 C ATOM 275 O GLY A 382 1.816 2.271 5.036 1.00 0.00 O ATOM 0 H GLY A 382 -1.432 0.873 5.749 1.00 0.00 H new ATOM 0 HA2 GLY A 382 -0.658 2.945 5.105 1.00 0.00 H new ATOM 0 HA3 GLY A 382 -0.592 3.434 6.786 1.00 0.00 H new ATOM 279 N ALA A 383 1.878 2.655 7.206 1.00 0.00 N ATOM 280 CA ALA A 383 3.374 2.538 7.233 1.00 0.00 C ATOM 281 C ALA A 383 3.868 1.173 7.762 1.00 0.00 C ATOM 282 O ALA A 383 5.065 0.951 7.823 1.00 0.00 O ATOM 283 CB ALA A 383 3.846 3.657 8.168 1.00 0.00 C ATOM 0 H ALA A 383 1.440 2.848 8.107 1.00 0.00 H new ATOM 0 HA ALA A 383 3.773 2.620 6.222 1.00 0.00 H new ATOM 0 HB1 ALA A 383 4.933 3.637 8.240 1.00 0.00 H new ATOM 0 HB2 ALA A 383 3.526 4.621 7.772 1.00 0.00 H new ATOM 0 HB3 ALA A 383 3.414 3.510 9.158 1.00 0.00 H new ATOM 289 N ASN A 384 2.997 0.260 8.166 1.00 0.00 N ATOM 290 CA ASN A 384 3.500 -1.049 8.700 1.00 0.00 C ATOM 291 C ASN A 384 2.960 -2.275 7.926 1.00 0.00 C ATOM 292 O ASN A 384 3.054 -3.371 8.425 1.00 0.00 O ATOM 293 CB ASN A 384 3.003 -1.084 10.146 1.00 0.00 C ATOM 294 CG ASN A 384 3.855 -0.143 11.009 1.00 0.00 C ATOM 295 OD1 ASN A 384 4.955 -0.490 11.391 1.00 0.00 O ATOM 296 ND2 ASN A 384 3.396 1.041 11.335 1.00 0.00 N ATOM 0 H ASN A 384 1.983 0.367 8.148 1.00 0.00 H new ATOM 0 HA ASN A 384 4.584 -1.110 8.604 1.00 0.00 H new ATOM 0 HB2 ASN A 384 1.956 -0.784 10.188 1.00 0.00 H new ATOM 0 HB3 ASN A 384 3.059 -2.101 10.535 1.00 0.00 H new ATOM 0 HD21 ASN A 384 3.962 1.667 11.907 1.00 0.00 H new ATOM 0 HD22 ASN A 384 2.473 1.336 11.016 1.00 0.00 H new ATOM 303 N CYS A 385 2.378 -2.112 6.745 1.00 0.00 N ATOM 304 CA CYS A 385 1.816 -3.306 5.977 1.00 0.00 C ATOM 305 C CYS A 385 2.791 -4.514 5.952 1.00 0.00 C ATOM 306 O CYS A 385 3.554 -4.681 5.019 1.00 0.00 O ATOM 307 CB CYS A 385 1.583 -2.802 4.538 1.00 0.00 C ATOM 308 SG CYS A 385 0.775 -4.081 3.545 1.00 0.00 S ATOM 0 H CYS A 385 2.266 -1.212 6.278 1.00 0.00 H new ATOM 0 HA CYS A 385 0.905 -3.662 6.458 1.00 0.00 H new ATOM 0 HB2 CYS A 385 0.967 -1.903 4.556 1.00 0.00 H new ATOM 0 HB3 CYS A 385 2.535 -2.527 4.084 1.00 0.00 H new ATOM 313 N TYR A 386 2.790 -5.340 6.984 1.00 0.00 N ATOM 314 CA TYR A 386 3.738 -6.520 7.030 1.00 0.00 C ATOM 315 C TYR A 386 3.673 -7.361 5.738 1.00 0.00 C ATOM 316 O TYR A 386 4.677 -7.900 5.307 1.00 0.00 O ATOM 317 CB TYR A 386 3.310 -7.379 8.242 1.00 0.00 C ATOM 318 CG TYR A 386 1.930 -7.963 8.008 1.00 0.00 C ATOM 319 CD1 TYR A 386 1.792 -9.193 7.311 1.00 0.00 C ATOM 320 CD2 TYR A 386 0.775 -7.279 8.474 1.00 0.00 C ATOM 321 CE1 TYR A 386 0.502 -9.741 7.082 1.00 0.00 C ATOM 322 CE2 TYR A 386 -0.517 -7.825 8.244 1.00 0.00 C ATOM 323 CZ TYR A 386 -0.652 -9.056 7.548 1.00 0.00 C ATOM 324 OH TYR A 386 -1.906 -9.586 7.324 1.00 0.00 O ATOM 0 H TYR A 386 2.177 -5.250 7.794 1.00 0.00 H new ATOM 0 HA TYR A 386 4.766 -6.170 7.121 1.00 0.00 H new ATOM 0 HB2 TYR A 386 4.030 -8.181 8.401 1.00 0.00 H new ATOM 0 HB3 TYR A 386 3.307 -6.770 9.146 1.00 0.00 H new ATOM 0 HD1 TYR A 386 2.669 -9.712 6.955 1.00 0.00 H new ATOM 0 HD2 TYR A 386 0.879 -6.343 9.003 1.00 0.00 H new ATOM 0 HE1 TYR A 386 0.398 -10.678 6.554 1.00 0.00 H new ATOM 0 HE2 TYR A 386 -1.395 -7.305 8.598 1.00 0.00 H new ATOM 0 HH TYR A 386 -2.585 -8.993 7.708 1.00 0.00 H new ATOM 334 N ARG A 387 2.513 -7.491 5.123 1.00 0.00 N ATOM 335 CA ARG A 387 2.439 -8.322 3.868 1.00 0.00 C ATOM 336 C ARG A 387 3.081 -7.564 2.697 1.00 0.00 C ATOM 337 O ARG A 387 3.296 -6.368 2.776 1.00 0.00 O ATOM 338 CB ARG A 387 0.949 -8.615 3.597 1.00 0.00 C ATOM 339 CG ARG A 387 0.175 -7.318 3.334 1.00 0.00 C ATOM 340 CD ARG A 387 -1.097 -7.636 2.528 1.00 0.00 C ATOM 341 NE ARG A 387 -2.216 -6.857 3.171 1.00 0.00 N ATOM 342 CZ ARG A 387 -3.474 -7.269 3.092 1.00 0.00 C ATOM 343 NH1 ARG A 387 -3.806 -8.352 2.423 1.00 0.00 N ATOM 344 NH2 ARG A 387 -4.418 -6.577 3.676 1.00 0.00 N ATOM 0 H ARG A 387 1.635 -7.069 5.426 1.00 0.00 H new ATOM 0 HA ARG A 387 2.985 -9.258 3.984 1.00 0.00 H new ATOM 0 HB2 ARG A 387 0.855 -9.280 2.738 1.00 0.00 H new ATOM 0 HB3 ARG A 387 0.515 -9.135 4.451 1.00 0.00 H new ATOM 0 HG2 ARG A 387 -0.089 -6.841 4.278 1.00 0.00 H new ATOM 0 HG3 ARG A 387 0.800 -6.614 2.785 1.00 0.00 H new ATOM 0 HD2 ARG A 387 -0.976 -7.350 1.483 1.00 0.00 H new ATOM 0 HD3 ARG A 387 -1.309 -8.705 2.544 1.00 0.00 H new ATOM 0 HE ARG A 387 -2.002 -5.997 3.676 1.00 0.00 H new ATOM 0 HH11 ARG A 387 -3.087 -8.898 1.948 1.00 0.00 H new ATOM 0 HH12 ARG A 387 -4.782 -8.645 2.379 1.00 0.00 H new ATOM 0 HH21 ARG A 387 -4.184 -5.726 4.188 1.00 0.00 H new ATOM 0 HH22 ARG A 387 -5.388 -6.888 3.619 1.00 0.00 H new ATOM 358 N LYS A 388 3.397 -8.245 1.615 1.00 0.00 N ATOM 359 CA LYS A 388 4.033 -7.543 0.458 1.00 0.00 C ATOM 360 C LYS A 388 3.781 -8.303 -0.854 1.00 0.00 C ATOM 361 O LYS A 388 4.610 -9.072 -1.302 1.00 0.00 O ATOM 362 CB LYS A 388 5.532 -7.493 0.784 1.00 0.00 C ATOM 363 CG LYS A 388 6.089 -8.907 0.991 1.00 0.00 C ATOM 364 CD LYS A 388 7.292 -8.846 1.935 1.00 0.00 C ATOM 365 CE LYS A 388 7.722 -10.265 2.313 1.00 0.00 C ATOM 366 NZ LYS A 388 9.207 -10.203 2.399 1.00 0.00 N ATOM 0 H LYS A 388 3.242 -9.245 1.488 1.00 0.00 H new ATOM 0 HA LYS A 388 3.618 -6.545 0.316 1.00 0.00 H new ATOM 0 HB2 LYS A 388 6.069 -7.000 -0.026 1.00 0.00 H new ATOM 0 HB3 LYS A 388 5.694 -6.898 1.683 1.00 0.00 H new ATOM 0 HG2 LYS A 388 5.319 -9.556 1.407 1.00 0.00 H new ATOM 0 HG3 LYS A 388 6.385 -9.337 0.034 1.00 0.00 H new ATOM 0 HD2 LYS A 388 8.118 -8.321 1.454 1.00 0.00 H new ATOM 0 HD3 LYS A 388 7.035 -8.282 2.832 1.00 0.00 H new ATOM 0 HE2 LYS A 388 7.283 -10.571 3.263 1.00 0.00 H new ATOM 0 HE3 LYS A 388 7.399 -10.989 1.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 9.579 -11.140 2.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 9.596 -9.915 1.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 9.484 -9.511 3.124 1.00 0.00 H new ATOM 380 N ASN A 389 2.643 -8.084 -1.482 1.00 0.00 N ATOM 381 CA ASN A 389 2.348 -8.782 -2.767 1.00 0.00 C ATOM 382 C ASN A 389 2.227 -7.747 -3.894 1.00 0.00 C ATOM 383 O ASN A 389 1.942 -6.593 -3.631 1.00 0.00 O ATOM 384 CB ASN A 389 1.007 -9.483 -2.542 1.00 0.00 C ATOM 385 CG ASN A 389 1.248 -10.901 -2.008 1.00 0.00 C ATOM 386 OD1 ASN A 389 1.920 -11.078 -1.011 1.00 0.00 O ATOM 387 ND2 ASN A 389 0.723 -11.930 -2.629 1.00 0.00 N ATOM 0 H ASN A 389 1.912 -7.452 -1.155 1.00 0.00 H new ATOM 0 HA ASN A 389 3.129 -9.487 -3.050 1.00 0.00 H new ATOM 0 HB2 ASN A 389 0.403 -8.915 -1.834 1.00 0.00 H new ATOM 0 HB3 ASN A 389 0.447 -9.526 -3.476 1.00 0.00 H new ATOM 0 HD21 ASN A 389 0.879 -12.874 -2.275 1.00 0.00 H new ATOM 0 HD22 ASN A 389 0.158 -11.787 -3.466 1.00 0.00 H new ATOM 394 N PRO A 390 2.438 -8.177 -5.119 1.00 0.00 N ATOM 395 CA PRO A 390 2.335 -7.237 -6.258 1.00 0.00 C ATOM 396 C PRO A 390 0.870 -6.796 -6.477 1.00 0.00 C ATOM 397 O PRO A 390 0.527 -5.671 -6.176 1.00 0.00 O ATOM 398 CB PRO A 390 2.914 -8.024 -7.436 1.00 0.00 C ATOM 399 CG PRO A 390 2.784 -9.471 -7.062 1.00 0.00 C ATOM 400 CD PRO A 390 2.781 -9.545 -5.555 1.00 0.00 C ATOM 0 HA PRO A 390 2.876 -6.303 -6.104 1.00 0.00 H new ATOM 0 HB2 PRO A 390 2.371 -7.807 -8.356 1.00 0.00 H new ATOM 0 HB3 PRO A 390 3.956 -7.757 -7.611 1.00 0.00 H new ATOM 0 HG2 PRO A 390 1.865 -9.892 -7.469 1.00 0.00 H new ATOM 0 HG3 PRO A 390 3.610 -10.050 -7.474 1.00 0.00 H new ATOM 0 HD2 PRO A 390 2.052 -10.271 -5.195 1.00 0.00 H new ATOM 0 HD3 PRO A 390 3.754 -9.852 -5.171 1.00 0.00 H new ATOM 408 N VAL A 391 0.003 -7.649 -6.993 1.00 0.00 N ATOM 409 CA VAL A 391 -1.448 -7.244 -7.220 1.00 0.00 C ATOM 410 C VAL A 391 -2.021 -6.495 -5.989 1.00 0.00 C ATOM 411 O VAL A 391 -2.851 -5.617 -6.134 1.00 0.00 O ATOM 412 CB VAL A 391 -2.220 -8.556 -7.477 1.00 0.00 C ATOM 413 CG1 VAL A 391 -3.730 -8.290 -7.563 1.00 0.00 C ATOM 414 CG2 VAL A 391 -1.745 -9.168 -8.801 1.00 0.00 C ATOM 0 H VAL A 391 0.229 -8.605 -7.268 1.00 0.00 H new ATOM 0 HA VAL A 391 -1.538 -6.558 -8.062 1.00 0.00 H new ATOM 0 HB VAL A 391 -2.029 -9.241 -6.651 1.00 0.00 H new ATOM 0 HG11 VAL A 391 -4.255 -9.228 -7.745 1.00 0.00 H new ATOM 0 HG12 VAL A 391 -4.077 -7.856 -6.625 1.00 0.00 H new ATOM 0 HG13 VAL A 391 -3.931 -7.597 -8.380 1.00 0.00 H new ATOM 0 HG21 VAL A 391 -2.287 -10.095 -8.988 1.00 0.00 H new ATOM 0 HG22 VAL A 391 -1.933 -8.467 -9.614 1.00 0.00 H new ATOM 0 HG23 VAL A 391 -0.677 -9.377 -8.743 1.00 0.00 H new ATOM 424 N HIS A 392 -1.563 -6.803 -4.790 1.00 0.00 N ATOM 425 CA HIS A 392 -2.065 -6.064 -3.572 1.00 0.00 C ATOM 426 C HIS A 392 -1.627 -4.586 -3.657 1.00 0.00 C ATOM 427 O HIS A 392 -2.369 -3.699 -3.278 1.00 0.00 O ATOM 428 CB HIS A 392 -1.405 -6.767 -2.361 1.00 0.00 C ATOM 429 CG HIS A 392 -1.536 -5.938 -1.105 1.00 0.00 C ATOM 430 ND1 HIS A 392 -2.595 -6.084 -0.221 1.00 0.00 N ATOM 431 CD2 HIS A 392 -0.740 -4.951 -0.575 1.00 0.00 C ATOM 432 CE1 HIS A 392 -2.409 -5.208 0.783 1.00 0.00 C ATOM 433 NE2 HIS A 392 -1.292 -4.493 0.615 1.00 0.00 N ATOM 0 H HIS A 392 -0.870 -7.527 -4.602 1.00 0.00 H new ATOM 0 HA HIS A 392 -3.152 -6.079 -3.490 1.00 0.00 H new ATOM 0 HB2 HIS A 392 -1.869 -7.741 -2.206 1.00 0.00 H new ATOM 0 HB3 HIS A 392 -0.351 -6.946 -2.572 1.00 0.00 H new ATOM 0 HD1 HIS A 392 -3.373 -6.737 -0.315 1.00 0.00 H new ATOM 0 HD2 HIS A 392 0.176 -4.587 -1.017 1.00 0.00 H new ATOM 0 HE1 HIS A 392 -3.080 -5.096 1.622 1.00 0.00 H new ATOM 441 N PHE A 393 -0.442 -4.312 -4.176 1.00 0.00 N ATOM 442 CA PHE A 393 -0.003 -2.875 -4.303 1.00 0.00 C ATOM 443 C PHE A 393 -1.016 -2.102 -5.162 1.00 0.00 C ATOM 444 O PHE A 393 -1.188 -0.910 -4.993 1.00 0.00 O ATOM 445 CB PHE A 393 1.373 -2.881 -4.988 1.00 0.00 C ATOM 446 CG PHE A 393 2.456 -2.987 -3.942 1.00 0.00 C ATOM 447 CD1 PHE A 393 2.618 -1.952 -2.984 1.00 0.00 C ATOM 448 CD2 PHE A 393 3.311 -4.122 -3.916 1.00 0.00 C ATOM 449 CE1 PHE A 393 3.636 -2.050 -1.999 1.00 0.00 C ATOM 450 CE2 PHE A 393 4.329 -4.221 -2.929 1.00 0.00 C ATOM 451 CZ PHE A 393 4.491 -3.185 -1.970 1.00 0.00 C ATOM 0 H PHE A 393 0.227 -5.006 -4.510 1.00 0.00 H new ATOM 0 HA PHE A 393 0.055 -2.394 -3.327 1.00 0.00 H new ATOM 0 HB2 PHE A 393 1.441 -3.718 -5.683 1.00 0.00 H new ATOM 0 HB3 PHE A 393 1.504 -1.970 -5.572 1.00 0.00 H new ATOM 0 HD1 PHE A 393 1.967 -1.090 -3.004 1.00 0.00 H new ATOM 0 HD2 PHE A 393 3.187 -4.909 -4.646 1.00 0.00 H new ATOM 0 HE1 PHE A 393 3.761 -1.262 -1.271 1.00 0.00 H new ATOM 0 HE2 PHE A 393 4.979 -5.083 -2.908 1.00 0.00 H new ATOM 0 HZ PHE A 393 5.264 -3.260 -1.219 1.00 0.00 H new ATOM 461 N GLN A 394 -1.701 -2.771 -6.076 1.00 0.00 N ATOM 462 CA GLN A 394 -2.709 -2.039 -6.922 1.00 0.00 C ATOM 463 C GLN A 394 -4.012 -1.805 -6.135 1.00 0.00 C ATOM 464 O GLN A 394 -4.730 -0.869 -6.418 1.00 0.00 O ATOM 465 CB GLN A 394 -2.987 -2.920 -8.150 1.00 0.00 C ATOM 466 CG GLN A 394 -1.823 -2.810 -9.139 1.00 0.00 C ATOM 467 CD GLN A 394 -0.876 -4.000 -8.948 1.00 0.00 C ATOM 468 OE1 GLN A 394 -1.038 -5.020 -9.588 1.00 0.00 O ATOM 469 NE2 GLN A 394 0.116 -3.916 -8.099 1.00 0.00 N ATOM 0 H GLN A 394 -1.607 -3.768 -6.267 1.00 0.00 H new ATOM 0 HA GLN A 394 -2.324 -1.063 -7.216 1.00 0.00 H new ATOM 0 HB2 GLN A 394 -3.119 -3.957 -7.843 1.00 0.00 H new ATOM 0 HB3 GLN A 394 -3.915 -2.609 -8.630 1.00 0.00 H new ATOM 0 HG2 GLN A 394 -2.201 -2.793 -10.161 1.00 0.00 H new ATOM 0 HG3 GLN A 394 -1.285 -1.875 -8.982 1.00 0.00 H new ATOM 0 HE21 GLN A 394 0.255 -3.061 -7.560 1.00 0.00 H new ATOM 0 HE22 GLN A 394 0.750 -4.705 -7.976 1.00 0.00 H new ATOM 478 N HIS A 395 -4.334 -2.644 -5.164 1.00 0.00 N ATOM 479 CA HIS A 395 -5.611 -2.437 -4.390 1.00 0.00 C ATOM 480 C HIS A 395 -5.414 -1.390 -3.280 1.00 0.00 C ATOM 481 O HIS A 395 -6.306 -0.611 -3.001 1.00 0.00 O ATOM 482 CB HIS A 395 -5.962 -3.794 -3.760 1.00 0.00 C ATOM 483 CG HIS A 395 -6.317 -4.779 -4.837 1.00 0.00 C ATOM 484 ND1 HIS A 395 -7.149 -5.861 -4.601 1.00 0.00 N ATOM 485 CD2 HIS A 395 -5.960 -4.859 -6.160 1.00 0.00 C ATOM 486 CE1 HIS A 395 -7.266 -6.542 -5.755 1.00 0.00 C ATOM 487 NE2 HIS A 395 -6.560 -5.974 -6.738 1.00 0.00 N ATOM 0 H HIS A 395 -3.777 -3.449 -4.879 1.00 0.00 H new ATOM 0 HA HIS A 395 -6.403 -2.076 -5.046 1.00 0.00 H new ATOM 0 HB2 HIS A 395 -5.117 -4.165 -3.179 1.00 0.00 H new ATOM 0 HB3 HIS A 395 -6.798 -3.679 -3.070 1.00 0.00 H new ATOM 0 HD2 HIS A 395 -5.313 -4.163 -6.674 1.00 0.00 H new ATOM 0 HE1 HIS A 395 -7.858 -7.438 -5.873 1.00 0.00 H new ATOM 0 HE2 HIS A 395 -6.479 -6.290 -7.704 1.00 0.00 H new ATOM 496 N PHE A 396 -4.265 -1.367 -2.635 1.00 0.00 N ATOM 497 CA PHE A 396 -4.043 -0.367 -1.540 1.00 0.00 C ATOM 498 C PHE A 396 -2.714 0.369 -1.760 1.00 0.00 C ATOM 499 O PHE A 396 -1.755 -0.211 -2.233 1.00 0.00 O ATOM 500 CB PHE A 396 -3.972 -1.182 -0.241 1.00 0.00 C ATOM 501 CG PHE A 396 -5.198 -2.055 -0.083 1.00 0.00 C ATOM 502 CD1 PHE A 396 -5.270 -3.307 -0.753 1.00 0.00 C ATOM 503 CD2 PHE A 396 -6.273 -1.630 0.745 1.00 0.00 C ATOM 504 CE1 PHE A 396 -6.418 -4.132 -0.596 1.00 0.00 C ATOM 505 CE2 PHE A 396 -7.418 -2.456 0.902 1.00 0.00 C ATOM 506 CZ PHE A 396 -7.491 -3.707 0.231 1.00 0.00 C ATOM 0 H PHE A 396 -3.480 -1.992 -2.819 1.00 0.00 H new ATOM 0 HA PHE A 396 -4.837 0.379 -1.512 1.00 0.00 H new ATOM 0 HB2 PHE A 396 -3.076 -1.803 -0.245 1.00 0.00 H new ATOM 0 HB3 PHE A 396 -3.888 -0.508 0.612 1.00 0.00 H new ATOM 0 HD1 PHE A 396 -4.453 -3.631 -1.381 1.00 0.00 H new ATOM 0 HD2 PHE A 396 -6.219 -0.679 1.255 1.00 0.00 H new ATOM 0 HE1 PHE A 396 -6.474 -5.082 -1.106 1.00 0.00 H new ATOM 0 HE2 PHE A 396 -8.234 -2.133 1.532 1.00 0.00 H new ATOM 0 HZ PHE A 396 -8.362 -4.334 0.350 1.00 0.00 H new ATOM 516 N SER A 397 -2.648 1.640 -1.427 1.00 0.00 N ATOM 517 CA SER A 397 -1.380 2.401 -1.628 1.00 0.00 C ATOM 518 C SER A 397 -0.542 2.429 -0.344 1.00 0.00 C ATOM 519 O SER A 397 -1.002 2.061 0.720 1.00 0.00 O ATOM 520 CB SER A 397 -1.788 3.827 -2.020 1.00 0.00 C ATOM 521 OG SER A 397 -1.950 3.899 -3.431 1.00 0.00 O ATOM 0 H SER A 397 -3.417 2.177 -1.027 1.00 0.00 H new ATOM 0 HA SER A 397 -0.768 1.930 -2.398 1.00 0.00 H new ATOM 0 HB2 SER A 397 -2.718 4.102 -1.521 1.00 0.00 H new ATOM 0 HB3 SER A 397 -1.029 4.538 -1.693 1.00 0.00 H new ATOM 0 HG SER A 397 -2.212 4.809 -3.684 1.00 0.00 H new ATOM 527 N HIS A 398 0.699 2.852 -0.452 1.00 0.00 N ATOM 528 CA HIS A 398 1.587 2.894 0.744 1.00 0.00 C ATOM 529 C HIS A 398 2.453 4.158 0.707 1.00 0.00 C ATOM 530 O HIS A 398 2.673 4.714 -0.351 1.00 0.00 O ATOM 531 CB HIS A 398 2.467 1.635 0.647 1.00 0.00 C ATOM 532 CG HIS A 398 1.608 0.394 0.546 1.00 0.00 C ATOM 533 ND1 HIS A 398 1.108 -0.062 -0.666 1.00 0.00 N ATOM 534 CD2 HIS A 398 1.159 -0.494 1.494 1.00 0.00 C ATOM 535 CE1 HIS A 398 0.394 -1.178 -0.419 1.00 0.00 C ATOM 536 NE2 HIS A 398 0.392 -1.487 0.884 1.00 0.00 N ATOM 0 H HIS A 398 1.130 3.169 -1.321 1.00 0.00 H new ATOM 0 HA HIS A 398 1.021 2.916 1.675 1.00 0.00 H new ATOM 0 HB2 HIS A 398 3.118 1.706 -0.224 1.00 0.00 H new ATOM 0 HB3 HIS A 398 3.113 1.567 1.523 1.00 0.00 H new ATOM 0 HD1 HIS A 398 1.254 0.370 -1.579 1.00 0.00 H new ATOM 0 HD2 HIS A 398 1.368 -0.432 2.552 1.00 0.00 H new ATOM 0 HE1 HIS A 398 -0.114 -1.753 -1.179 1.00 0.00 H new ATOM 544 N PRO A 399 2.941 4.576 1.859 1.00 0.00 N ATOM 545 CA PRO A 399 3.806 5.782 1.919 1.00 0.00 C ATOM 546 C PRO A 399 5.053 5.531 1.062 1.00 0.00 C ATOM 547 O PRO A 399 5.603 4.445 1.079 1.00 0.00 O ATOM 548 CB PRO A 399 4.131 5.914 3.414 1.00 0.00 C ATOM 549 CG PRO A 399 3.929 4.542 3.957 1.00 0.00 C ATOM 550 CD PRO A 399 2.768 3.978 3.187 1.00 0.00 C ATOM 0 HA PRO A 399 3.352 6.695 1.535 1.00 0.00 H new ATOM 0 HB2 PRO A 399 5.154 6.257 3.570 1.00 0.00 H new ATOM 0 HB3 PRO A 399 3.475 6.635 3.901 1.00 0.00 H new ATOM 0 HG2 PRO A 399 4.822 3.931 3.825 1.00 0.00 H new ATOM 0 HG3 PRO A 399 3.716 4.569 5.026 1.00 0.00 H new ATOM 0 HD2 PRO A 399 2.799 2.889 3.148 1.00 0.00 H new ATOM 0 HD3 PRO A 399 1.813 4.254 3.634 1.00 0.00 H new ATOM 558 N GLY A 400 5.481 6.500 0.283 1.00 0.00 N ATOM 559 CA GLY A 400 6.659 6.270 -0.599 1.00 0.00 C ATOM 560 C GLY A 400 6.195 5.932 -2.040 1.00 0.00 C ATOM 561 O GLY A 400 7.018 5.745 -2.916 1.00 0.00 O ATOM 0 H GLY A 400 5.066 7.430 0.224 1.00 0.00 H new ATOM 0 HA2 GLY A 400 7.291 7.158 -0.612 1.00 0.00 H new ATOM 0 HA3 GLY A 400 7.264 5.454 -0.204 1.00 0.00 H new ATOM 565 N ASP A 401 4.894 5.875 -2.309 1.00 0.00 N ATOM 566 CA ASP A 401 4.424 5.578 -3.691 1.00 0.00 C ATOM 567 C ASP A 401 3.774 6.845 -4.257 1.00 0.00 C ATOM 568 O ASP A 401 3.073 7.543 -3.549 1.00 0.00 O ATOM 569 CB ASP A 401 3.387 4.456 -3.545 1.00 0.00 C ATOM 570 CG ASP A 401 4.090 3.097 -3.551 1.00 0.00 C ATOM 571 OD1 ASP A 401 4.929 2.882 -2.691 1.00 0.00 O ATOM 572 OD2 ASP A 401 3.777 2.293 -4.414 1.00 0.00 O ATOM 0 H ASP A 401 4.153 6.023 -1.624 1.00 0.00 H new ATOM 0 HA ASP A 401 5.228 5.275 -4.361 1.00 0.00 H new ATOM 0 HB2 ASP A 401 2.829 4.583 -2.618 1.00 0.00 H new ATOM 0 HB3 ASP A 401 2.666 4.506 -4.361 1.00 0.00 H new ATOM 577 N SER A 402 4.005 7.168 -5.512 1.00 0.00 N ATOM 578 CA SER A 402 3.393 8.424 -6.091 1.00 0.00 C ATOM 579 C SER A 402 1.876 8.510 -5.815 1.00 0.00 C ATOM 580 O SER A 402 1.325 9.595 -5.788 1.00 0.00 O ATOM 581 CB SER A 402 3.647 8.379 -7.608 1.00 0.00 C ATOM 582 OG SER A 402 3.471 9.681 -8.156 1.00 0.00 O ATOM 0 H SER A 402 4.582 6.628 -6.157 1.00 0.00 H new ATOM 0 HA SER A 402 3.843 9.302 -5.628 1.00 0.00 H new ATOM 0 HB2 SER A 402 4.657 8.022 -7.808 1.00 0.00 H new ATOM 0 HB3 SER A 402 2.961 7.677 -8.082 1.00 0.00 H new ATOM 0 HG SER A 402 3.634 9.654 -9.122 1.00 0.00 H new ATOM 588 N ASP A 403 1.181 7.397 -5.637 1.00 0.00 N ATOM 589 CA ASP A 403 -0.305 7.478 -5.402 1.00 0.00 C ATOM 590 C ASP A 403 -0.695 7.424 -3.904 1.00 0.00 C ATOM 591 O ASP A 403 -1.872 7.417 -3.597 1.00 0.00 O ATOM 592 CB ASP A 403 -0.891 6.267 -6.141 1.00 0.00 C ATOM 593 CG ASP A 403 -0.859 6.524 -7.649 1.00 0.00 C ATOM 594 OD1 ASP A 403 -1.285 7.591 -8.058 1.00 0.00 O ATOM 595 OD2 ASP A 403 -0.409 5.648 -8.370 1.00 0.00 O ATOM 0 H ASP A 403 1.572 6.455 -5.644 1.00 0.00 H new ATOM 0 HA ASP A 403 -0.689 8.433 -5.761 1.00 0.00 H new ATOM 0 HB2 ASP A 403 -0.319 5.370 -5.902 1.00 0.00 H new ATOM 0 HB3 ASP A 403 -1.915 6.089 -5.814 1.00 0.00 H new ATOM 600 N TYR A 404 0.245 7.378 -2.967 1.00 0.00 N ATOM 601 CA TYR A 404 -0.144 7.322 -1.501 1.00 0.00 C ATOM 602 C TYR A 404 -1.191 8.403 -1.179 1.00 0.00 C ATOM 603 O TYR A 404 -1.142 9.494 -1.715 1.00 0.00 O ATOM 604 CB TYR A 404 1.140 7.579 -0.692 1.00 0.00 C ATOM 605 CG TYR A 404 0.870 7.375 0.783 1.00 0.00 C ATOM 606 CD1 TYR A 404 0.246 6.181 1.238 1.00 0.00 C ATOM 607 CD2 TYR A 404 1.247 8.378 1.719 1.00 0.00 C ATOM 608 CE1 TYR A 404 -0.002 5.990 2.624 1.00 0.00 C ATOM 609 CE2 TYR A 404 1.001 8.187 3.105 1.00 0.00 C ATOM 610 CZ TYR A 404 0.376 6.993 3.559 1.00 0.00 C ATOM 611 OH TYR A 404 0.139 6.807 4.906 1.00 0.00 O ATOM 0 H TYR A 404 1.249 7.377 -3.150 1.00 0.00 H new ATOM 0 HA TYR A 404 -0.582 6.355 -1.254 1.00 0.00 H new ATOM 0 HB2 TYR A 404 1.930 6.904 -1.023 1.00 0.00 H new ATOM 0 HB3 TYR A 404 1.494 8.595 -0.869 1.00 0.00 H new ATOM 0 HD1 TYR A 404 -0.040 5.418 0.529 1.00 0.00 H new ATOM 0 HD2 TYR A 404 1.721 9.286 1.375 1.00 0.00 H new ATOM 0 HE1 TYR A 404 -0.478 5.083 2.968 1.00 0.00 H new ATOM 0 HE2 TYR A 404 1.289 8.949 3.814 1.00 0.00 H new ATOM 0 HH TYR A 404 -0.731 6.373 5.028 1.00 0.00 H new ATOM 621 N GLY A 405 -2.149 8.105 -0.328 1.00 0.00 N ATOM 622 CA GLY A 405 -3.199 9.127 -0.006 1.00 0.00 C ATOM 623 C GLY A 405 -4.029 8.695 1.214 1.00 0.00 C ATOM 624 O GLY A 405 -5.246 8.734 1.182 1.00 0.00 O ATOM 0 H GLY A 405 -2.248 7.210 0.151 1.00 0.00 H new ATOM 0 HA2 GLY A 405 -2.727 10.089 0.193 1.00 0.00 H new ATOM 0 HA3 GLY A 405 -3.854 9.265 -0.866 1.00 0.00 H new ATOM 628 N GLY A 406 -3.387 8.293 2.288 1.00 0.00 N ATOM 629 CA GLY A 406 -4.162 7.874 3.498 1.00 0.00 C ATOM 630 C GLY A 406 -3.226 7.631 4.689 1.00 0.00 C ATOM 631 O GLY A 406 -2.909 6.500 5.008 1.00 0.00 O ATOM 0 H GLY A 406 -2.372 8.238 2.377 1.00 0.00 H new ATOM 0 HA2 GLY A 406 -4.890 8.644 3.753 1.00 0.00 H new ATOM 0 HA3 GLY A 406 -4.723 6.965 3.279 1.00 0.00 H new ATOM 635 N VAL A 407 -2.792 8.677 5.355 1.00 0.00 N ATOM 636 CA VAL A 407 -1.887 8.489 6.539 1.00 0.00 C ATOM 637 C VAL A 407 -2.743 8.241 7.787 1.00 0.00 C ATOM 638 O VAL A 407 -2.999 9.148 8.557 1.00 0.00 O ATOM 639 CB VAL A 407 -1.098 9.797 6.679 1.00 0.00 C ATOM 640 CG1 VAL A 407 -0.139 9.702 7.868 1.00 0.00 C ATOM 641 CG2 VAL A 407 -0.301 10.055 5.396 1.00 0.00 C ATOM 0 H VAL A 407 -3.022 9.646 5.133 1.00 0.00 H new ATOM 0 HA VAL A 407 -1.215 7.640 6.417 1.00 0.00 H new ATOM 0 HB VAL A 407 -1.794 10.619 6.846 1.00 0.00 H new ATOM 0 HG11 VAL A 407 0.418 10.634 7.962 1.00 0.00 H new ATOM 0 HG12 VAL A 407 -0.708 9.526 8.781 1.00 0.00 H new ATOM 0 HG13 VAL A 407 0.557 8.878 7.709 1.00 0.00 H new ATOM 0 HG21 VAL A 407 0.259 10.985 5.496 1.00 0.00 H new ATOM 0 HG22 VAL A 407 0.391 9.231 5.226 1.00 0.00 H new ATOM 0 HG23 VAL A 407 -0.986 10.134 4.552 1.00 0.00 H new ATOM 651 N GLN A 408 -3.199 7.023 7.987 1.00 0.00 N ATOM 652 CA GLN A 408 -4.047 6.730 9.178 1.00 0.00 C ATOM 653 C GLN A 408 -3.337 5.740 10.113 1.00 0.00 C ATOM 654 O GLN A 408 -3.488 4.540 9.985 1.00 0.00 O ATOM 655 CB GLN A 408 -5.333 6.125 8.607 1.00 0.00 C ATOM 656 CG GLN A 408 -6.059 7.180 7.757 1.00 0.00 C ATOM 657 CD GLN A 408 -6.526 6.564 6.429 1.00 0.00 C ATOM 658 OE1 GLN A 408 -7.687 6.663 6.084 1.00 0.00 O ATOM 659 NE2 GLN A 408 -5.676 5.927 5.659 1.00 0.00 N ATOM 0 H GLN A 408 -3.018 6.226 7.376 1.00 0.00 H new ATOM 0 HA GLN A 408 -4.249 7.621 9.773 1.00 0.00 H new ATOM 0 HB2 GLN A 408 -5.098 5.251 7.999 1.00 0.00 H new ATOM 0 HB3 GLN A 408 -5.980 5.786 9.417 1.00 0.00 H new ATOM 0 HG2 GLN A 408 -6.916 7.572 8.305 1.00 0.00 H new ATOM 0 HG3 GLN A 408 -5.393 8.021 7.562 1.00 0.00 H new ATOM 0 HE21 GLN A 408 -4.700 5.839 5.941 1.00 0.00 H new ATOM 0 HE22 GLN A 408 -5.992 5.520 4.779 1.00 0.00 H new ATOM 668 N ILE A 409 -2.561 6.235 11.056 1.00 0.00 N ATOM 669 CA ILE A 409 -1.844 5.328 11.999 1.00 0.00 C ATOM 670 C ILE A 409 -2.306 5.612 13.435 1.00 0.00 C ATOM 671 O ILE A 409 -1.564 6.143 14.239 1.00 0.00 O ATOM 672 CB ILE A 409 -0.359 5.667 11.823 1.00 0.00 C ATOM 673 CG1 ILE A 409 0.049 5.428 10.365 1.00 0.00 C ATOM 674 CG2 ILE A 409 0.490 4.780 12.735 1.00 0.00 C ATOM 675 CD1 ILE A 409 1.448 5.996 10.125 1.00 0.00 C ATOM 0 H ILE A 409 -2.398 7.230 11.208 1.00 0.00 H new ATOM 0 HA ILE A 409 -2.038 4.274 11.803 1.00 0.00 H new ATOM 0 HB ILE A 409 -0.198 6.713 12.085 1.00 0.00 H new ATOM 0 HG12 ILE A 409 0.036 4.361 10.143 1.00 0.00 H new ATOM 0 HG13 ILE A 409 -0.667 5.902 9.694 1.00 0.00 H new ATOM 0 HG21 ILE A 409 1.544 5.027 12.604 1.00 0.00 H new ATOM 0 HG22 ILE A 409 0.204 4.947 13.774 1.00 0.00 H new ATOM 0 HG23 ILE A 409 0.328 3.733 12.478 1.00 0.00 H new ATOM 0 HD11 ILE A 409 1.737 5.825 9.088 1.00 0.00 H new ATOM 0 HD12 ILE A 409 1.446 7.067 10.330 1.00 0.00 H new ATOM 0 HD13 ILE A 409 2.160 5.501 10.786 1.00 0.00 H new ATOM 687 N VAL A 410 -3.529 5.254 13.763 1.00 0.00 N ATOM 688 CA VAL A 410 -4.037 5.498 15.151 1.00 0.00 C ATOM 689 C VAL A 410 -4.027 4.175 15.925 1.00 0.00 C ATOM 690 O VAL A 410 -5.025 3.480 15.979 1.00 0.00 O ATOM 691 CB VAL A 410 -5.475 6.018 14.991 1.00 0.00 C ATOM 692 CG1 VAL A 410 -6.023 6.427 16.358 1.00 0.00 C ATOM 693 CG2 VAL A 410 -5.492 7.234 14.056 1.00 0.00 C ATOM 0 H VAL A 410 -4.193 4.806 13.131 1.00 0.00 H new ATOM 0 HA VAL A 410 -3.423 6.214 15.698 1.00 0.00 H new ATOM 0 HB VAL A 410 -6.094 5.228 14.566 1.00 0.00 H new ATOM 0 HG11 VAL A 410 -7.043 6.796 16.246 1.00 0.00 H new ATOM 0 HG12 VAL A 410 -6.021 5.564 17.024 1.00 0.00 H new ATOM 0 HG13 VAL A 410 -5.397 7.213 16.780 1.00 0.00 H new ATOM 0 HG21 VAL A 410 -6.515 7.596 13.948 1.00 0.00 H new ATOM 0 HG22 VAL A 410 -4.870 8.024 14.476 1.00 0.00 H new ATOM 0 HG23 VAL A 410 -5.104 6.947 13.079 1.00 0.00 H new ATOM 703 N GLY A 411 -2.902 3.803 16.503 1.00 0.00 N ATOM 704 CA GLY A 411 -2.840 2.510 17.241 1.00 0.00 C ATOM 705 C GLY A 411 -2.811 1.371 16.214 1.00 0.00 C ATOM 706 O GLY A 411 -3.693 0.533 16.187 1.00 0.00 O ATOM 0 H GLY A 411 -2.035 4.340 16.491 1.00 0.00 H new ATOM 0 HA2 GLY A 411 -1.952 2.475 17.872 1.00 0.00 H new ATOM 0 HA3 GLY A 411 -3.703 2.406 17.899 1.00 0.00 H new ATOM 710 N GLN A 412 -1.809 1.339 15.353 1.00 0.00 N ATOM 711 CA GLN A 412 -1.750 0.246 14.315 1.00 0.00 C ATOM 712 C GLN A 412 -1.763 -1.132 14.993 1.00 0.00 C ATOM 713 O GLN A 412 -2.410 -2.049 14.521 1.00 0.00 O ATOM 714 CB GLN A 412 -0.440 0.438 13.525 1.00 0.00 C ATOM 715 CG GLN A 412 -0.470 1.762 12.741 1.00 0.00 C ATOM 716 CD GLN A 412 -1.714 1.827 11.838 1.00 0.00 C ATOM 717 OE1 GLN A 412 -1.637 1.534 10.662 1.00 0.00 O ATOM 718 NE2 GLN A 412 -2.867 2.202 12.344 1.00 0.00 N ATOM 0 H GLN A 412 -1.042 2.011 15.324 1.00 0.00 H new ATOM 0 HA GLN A 412 -2.613 0.298 13.651 1.00 0.00 H new ATOM 0 HB2 GLN A 412 0.408 0.434 14.210 1.00 0.00 H new ATOM 0 HB3 GLN A 412 -0.298 -0.395 12.837 1.00 0.00 H new ATOM 0 HG2 GLN A 412 -0.473 2.602 13.435 1.00 0.00 H new ATOM 0 HG3 GLN A 412 0.431 1.853 12.135 1.00 0.00 H new ATOM 0 HE21 GLN A 412 -2.935 2.449 13.331 1.00 0.00 H new ATOM 0 HE22 GLN A 412 -3.695 2.246 11.749 1.00 0.00 H new ATOM 727 N ASP A 413 -1.065 -1.287 16.099 1.00 0.00 N ATOM 728 CA ASP A 413 -1.058 -2.607 16.798 1.00 0.00 C ATOM 729 C ASP A 413 -1.749 -2.482 18.166 1.00 0.00 C ATOM 730 O ASP A 413 -1.322 -3.086 19.133 1.00 0.00 O ATOM 731 CB ASP A 413 0.420 -2.962 16.972 1.00 0.00 C ATOM 732 CG ASP A 413 0.877 -3.832 15.800 1.00 0.00 C ATOM 733 OD1 ASP A 413 0.744 -5.041 15.898 1.00 0.00 O ATOM 734 OD2 ASP A 413 1.351 -3.276 14.823 1.00 0.00 O ATOM 0 H ASP A 413 -0.505 -0.558 16.541 1.00 0.00 H new ATOM 0 HA ASP A 413 -1.593 -3.374 16.238 1.00 0.00 H new ATOM 0 HB2 ASP A 413 1.020 -2.053 17.020 1.00 0.00 H new ATOM 0 HB3 ASP A 413 0.569 -3.492 17.912 1.00 0.00 H new ATOM 739 N GLU A 414 -2.812 -1.704 18.261 1.00 0.00 N ATOM 740 CA GLU A 414 -3.512 -1.554 19.572 1.00 0.00 C ATOM 741 C GLU A 414 -5.037 -1.597 19.371 1.00 0.00 C ATOM 742 O GLU A 414 -5.735 -0.657 19.701 1.00 0.00 O ATOM 743 CB GLU A 414 -3.074 -0.186 20.099 1.00 0.00 C ATOM 744 CG GLU A 414 -3.568 -0.009 21.536 1.00 0.00 C ATOM 745 CD GLU A 414 -3.543 1.474 21.906 1.00 0.00 C ATOM 746 OE1 GLU A 414 -2.489 2.076 21.790 1.00 0.00 O ATOM 747 OE2 GLU A 414 -4.579 1.983 22.302 1.00 0.00 O ATOM 0 H GLU A 414 -3.216 -1.174 17.489 1.00 0.00 H new ATOM 0 HA GLU A 414 -3.265 -2.356 20.267 1.00 0.00 H new ATOM 0 HB2 GLU A 414 -1.988 -0.102 20.064 1.00 0.00 H new ATOM 0 HB3 GLU A 414 -3.475 0.605 19.465 1.00 0.00 H new ATOM 0 HG2 GLU A 414 -4.580 -0.402 21.635 1.00 0.00 H new ATOM 0 HG3 GLU A 414 -2.937 -0.576 22.221 1.00 0.00 H new ATOM 754 N THR A 415 -5.560 -2.682 18.837 1.00 0.00 N ATOM 755 CA THR A 415 -7.037 -2.773 18.627 1.00 0.00 C ATOM 756 C THR A 415 -7.628 -3.872 19.522 1.00 0.00 C ATOM 757 O THR A 415 -8.126 -4.872 19.039 1.00 0.00 O ATOM 758 CB THR A 415 -7.218 -3.124 17.145 1.00 0.00 C ATOM 759 OG1 THR A 415 -6.017 -3.686 16.632 1.00 0.00 O ATOM 760 CG2 THR A 415 -7.565 -1.858 16.361 1.00 0.00 C ATOM 0 H THR A 415 -5.028 -3.500 18.541 1.00 0.00 H new ATOM 0 HA THR A 415 -7.547 -1.844 18.882 1.00 0.00 H new ATOM 0 HB THR A 415 -8.025 -3.850 17.043 1.00 0.00 H new ATOM 0 HG1 THR A 415 -6.139 -3.910 15.686 1.00 0.00 H new ATOM 0 HG21 THR A 415 -7.694 -2.106 15.308 1.00 0.00 H new ATOM 0 HG22 THR A 415 -8.490 -1.432 16.749 1.00 0.00 H new ATOM 0 HG23 THR A 415 -6.759 -1.132 16.467 1.00 0.00 H new ATOM 768 N ASP A 416 -7.580 -3.695 20.827 1.00 0.00 N ATOM 769 CA ASP A 416 -8.140 -4.732 21.745 1.00 0.00 C ATOM 770 C ASP A 416 -9.056 -4.077 22.791 1.00 0.00 C ATOM 771 O ASP A 416 -8.970 -4.377 23.967 1.00 0.00 O ATOM 772 CB ASP A 416 -6.922 -5.363 22.420 1.00 0.00 C ATOM 773 CG ASP A 416 -6.355 -6.466 21.524 1.00 0.00 C ATOM 774 OD1 ASP A 416 -6.374 -6.289 20.317 1.00 0.00 O ATOM 775 OD2 ASP A 416 -5.912 -7.468 22.060 1.00 0.00 O ATOM 0 H ASP A 416 -7.178 -2.879 21.289 1.00 0.00 H new ATOM 0 HA ASP A 416 -8.741 -5.471 21.215 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -6.162 -4.604 22.605 1.00 0.00 H new ATOM 0 HB3 ASP A 416 -7.203 -5.776 23.389 1.00 0.00 H new ATOM 780 N ASP A 417 -9.935 -3.185 22.377 1.00 0.00 N ATOM 781 CA ASP A 417 -10.848 -2.523 23.357 1.00 0.00 C ATOM 782 C ASP A 417 -12.268 -2.450 22.791 1.00 0.00 C ATOM 783 O ASP A 417 -12.487 -1.652 21.895 1.00 0.00 O ATOM 784 CB ASP A 417 -10.273 -1.119 23.546 1.00 0.00 C ATOM 785 CG ASP A 417 -9.151 -1.162 24.586 1.00 0.00 C ATOM 786 OD1 ASP A 417 -9.344 -1.791 25.612 1.00 0.00 O ATOM 787 OD2 ASP A 417 -8.116 -0.564 24.336 1.00 0.00 O ATOM 0 H ASP A 417 -10.054 -2.893 21.407 1.00 0.00 H new ATOM 0 HA ASP A 417 -10.910 -3.069 24.299 1.00 0.00 H new ATOM 0 HB2 ASP A 417 -9.890 -0.741 22.598 1.00 0.00 H new ATOM 0 HB3 ASP A 417 -11.057 -0.434 23.869 1.00 0.00 H new TER 792 ASP A 417 HETATM 793 ZN ZN A1001 -0.582 -3.080 1.868 1.00 0.00 ZN