USER MOD reduce.3.24.130724 H: found=0, std=0, add=392, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 396 hydrogens (21 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 392 HIS HE2 : A 392 HIS NE2 : A1001 ZNZN :(H bumps) USER MOD NoAdj-H: A 398 HIS HE2 : A 398 HIS NE2 : A1001 ZNZN :(H bumps) USER MOD Set 1.1: A 380 MET CE :methyl -118:sc= -1.11 (180deg=-2.73!) USER MOD Set 1.2: A1003 RIB O2' : rot 144:sc= 0.432 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=-0.0093) 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 381 TYR OH : rot 118:sc= 0.977 USER MOD Single : A 384 ASN :FLIP amide:sc= -0.511 F(o=-2.1,f=-0.51) USER MOD Single : A 386 TYR OH : rot 110:sc= -1.06 USER MOD Single : A 388 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 389 ASN : amide:sc= -0.0483 K(o=-0.048,f=-0.95) USER MOD Single : A 394 GLN : amide:sc= -0.291 K(o=-0.29,f=-2.7!) USER MOD Single : A 395 HIS : no HD1:sc= -0.289 X(o=-0.29,f=-0.018) USER MOD Single : A 397 SER OG : rot 160:sc= -4.64! USER MOD Single : A 402 SER OG : rot 180:sc= 0.0385 USER MOD Single : A 404 TYR OH : rot -110:sc= 0.253 USER MOD Single : A 408 GLN : amide:sc= -0.985 K(o=-0.98,f=-1.5) USER MOD Single : A 412 GLN : amide:sc= -2.16! C(o=-2.2!,f=-1.9!) USER MOD Single : A 415 THR OG1 : rot 180:sc= 0 USER MOD Single : A1002 ADN O3' : rot 92:sc= 0.142 USER MOD Single : A1002 ADN O5' : rot 101:sc= -1.46! USER MOD Single : A1003 RIB O3' : rot 88:sc= 0.131 USER MOD Single : A1003 RIB O5' : rot -21:sc= 0.14 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 363 10.083 15.581 3.279 1.00 0.00 N ATOM 2 CA GLY A 363 11.479 15.095 3.473 1.00 0.00 C ATOM 3 C GLY A 363 11.553 14.240 4.747 1.00 0.00 C ATOM 4 O GLY A 363 12.012 14.708 5.771 1.00 0.00 O ATOM 0 HA2 GLY A 363 11.794 14.508 2.610 1.00 0.00 H new ATOM 0 HA3 GLY A 363 12.162 15.941 3.550 1.00 0.00 H new ATOM 10 N PRO A 364 11.100 13.008 4.652 1.00 0.00 N ATOM 11 CA PRO A 364 11.130 12.106 5.831 1.00 0.00 C ATOM 12 C PRO A 364 12.572 11.661 6.127 1.00 0.00 C ATOM 13 O PRO A 364 13.511 12.166 5.540 1.00 0.00 O ATOM 14 CB PRO A 364 10.273 10.919 5.400 1.00 0.00 C ATOM 15 CG PRO A 364 10.337 10.914 3.907 1.00 0.00 C ATOM 16 CD PRO A 364 10.527 12.342 3.469 1.00 0.00 C ATOM 0 HA PRO A 364 10.763 12.580 6.742 1.00 0.00 H new ATOM 0 HB2 PRO A 364 10.655 9.986 5.814 1.00 0.00 H new ATOM 0 HB3 PRO A 364 9.246 11.026 5.750 1.00 0.00 H new ATOM 0 HG2 PRO A 364 11.161 10.291 3.559 1.00 0.00 H new ATOM 0 HG3 PRO A 364 9.422 10.499 3.483 1.00 0.00 H new ATOM 0 HD2 PRO A 364 11.195 12.410 2.611 1.00 0.00 H new ATOM 0 HD3 PRO A 364 9.582 12.798 3.174 1.00 0.00 H new ATOM 24 N LEU A 365 12.759 10.719 7.032 1.00 0.00 N ATOM 25 CA LEU A 365 14.142 10.254 7.353 1.00 0.00 C ATOM 26 C LEU A 365 14.313 8.781 6.950 1.00 0.00 C ATOM 27 O LEU A 365 13.813 7.893 7.615 1.00 0.00 O ATOM 28 CB LEU A 365 14.275 10.415 8.869 1.00 0.00 C ATOM 29 CG LEU A 365 14.448 11.895 9.213 1.00 0.00 C ATOM 30 CD1 LEU A 365 14.171 12.108 10.703 1.00 0.00 C ATOM 31 CD2 LEU A 365 15.880 12.328 8.893 1.00 0.00 C ATOM 0 H LEU A 365 12.014 10.259 7.555 1.00 0.00 H new ATOM 0 HA LEU A 365 14.903 10.821 6.816 1.00 0.00 H new ATOM 0 HB2 LEU A 365 13.391 10.016 9.366 1.00 0.00 H new ATOM 0 HB3 LEU A 365 15.130 9.844 9.232 1.00 0.00 H new ATOM 0 HG LEU A 365 13.749 12.489 8.625 1.00 0.00 H new ATOM 0 HD11 LEU A 365 14.294 13.163 10.949 1.00 0.00 H new ATOM 0 HD12 LEU A 365 13.151 11.799 10.931 1.00 0.00 H new ATOM 0 HD13 LEU A 365 14.870 11.514 11.292 1.00 0.00 H new ATOM 0 HD21 LEU A 365 16.004 13.383 9.138 1.00 0.00 H new ATOM 0 HD22 LEU A 365 16.580 11.734 9.481 1.00 0.00 H new ATOM 0 HD23 LEU A 365 16.078 12.176 7.832 1.00 0.00 H new ATOM 43 N GLY A 366 15.013 8.511 5.866 1.00 0.00 N ATOM 44 CA GLY A 366 15.206 7.095 5.433 1.00 0.00 C ATOM 45 C GLY A 366 14.623 6.905 4.026 1.00 0.00 C ATOM 46 O GLY A 366 13.420 6.823 3.858 1.00 0.00 O ATOM 0 H GLY A 366 15.454 9.211 5.269 1.00 0.00 H new ATOM 0 HA2 GLY A 366 16.267 6.844 5.435 1.00 0.00 H new ATOM 0 HA3 GLY A 366 14.717 6.419 6.135 1.00 0.00 H new ATOM 50 N SER A 367 15.460 6.834 3.009 1.00 0.00 N ATOM 51 CA SER A 367 14.939 6.650 1.621 1.00 0.00 C ATOM 52 C SER A 367 15.433 5.317 1.040 1.00 0.00 C ATOM 53 O SER A 367 16.622 5.117 0.869 1.00 0.00 O ATOM 54 CB SER A 367 15.506 7.827 0.827 1.00 0.00 C ATOM 55 OG SER A 367 15.478 7.514 -0.560 1.00 0.00 O ATOM 0 H SER A 367 16.475 6.896 3.086 1.00 0.00 H new ATOM 0 HA SER A 367 13.850 6.624 1.588 1.00 0.00 H new ATOM 0 HB2 SER A 367 14.922 8.727 1.021 1.00 0.00 H new ATOM 0 HB3 SER A 367 16.528 8.036 1.144 1.00 0.00 H new ATOM 0 HG SER A 367 15.839 8.267 -1.073 1.00 0.00 H new ATOM 61 N GLY A 368 14.536 4.402 0.733 1.00 0.00 N ATOM 62 CA GLY A 368 14.967 3.091 0.163 1.00 0.00 C ATOM 63 C GLY A 368 14.027 2.695 -0.984 1.00 0.00 C ATOM 64 O GLY A 368 12.984 3.296 -1.167 1.00 0.00 O ATOM 0 H GLY A 368 13.529 4.512 0.854 1.00 0.00 H new ATOM 0 HA2 GLY A 368 15.992 3.160 -0.201 1.00 0.00 H new ATOM 0 HA3 GLY A 368 14.955 2.324 0.938 1.00 0.00 H new ATOM 68 N SER A 369 14.379 1.689 -1.759 1.00 0.00 N ATOM 69 CA SER A 369 13.496 1.266 -2.888 1.00 0.00 C ATOM 70 C SER A 369 13.139 -0.222 -2.752 1.00 0.00 C ATOM 71 O SER A 369 14.012 -1.069 -2.734 1.00 0.00 O ATOM 72 CB SER A 369 14.323 1.505 -4.150 1.00 0.00 C ATOM 73 OG SER A 369 15.053 2.716 -4.010 1.00 0.00 O ATOM 0 H SER A 369 15.237 1.148 -1.655 1.00 0.00 H new ATOM 0 HA SER A 369 12.557 1.818 -2.907 1.00 0.00 H new ATOM 0 HB2 SER A 369 15.006 0.672 -4.314 1.00 0.00 H new ATOM 0 HB3 SER A 369 13.671 1.559 -5.022 1.00 0.00 H new ATOM 0 HG SER A 369 15.586 2.872 -4.817 1.00 0.00 H new ATOM 79 N GLU A 370 11.867 -0.551 -2.652 1.00 0.00 N ATOM 80 CA GLU A 370 11.473 -1.986 -2.515 1.00 0.00 C ATOM 81 C GLU A 370 10.237 -2.284 -3.380 1.00 0.00 C ATOM 82 O GLU A 370 9.119 -2.234 -2.901 1.00 0.00 O ATOM 83 CB GLU A 370 11.147 -2.167 -1.031 1.00 0.00 C ATOM 84 CG GLU A 370 12.445 -2.197 -0.219 1.00 0.00 C ATOM 85 CD GLU A 370 12.129 -1.963 1.259 1.00 0.00 C ATOM 86 OE1 GLU A 370 11.461 -0.986 1.555 1.00 0.00 O ATOM 87 OE2 GLU A 370 12.562 -2.765 2.071 1.00 0.00 O ATOM 0 H GLU A 370 11.092 0.113 -2.660 1.00 0.00 H new ATOM 0 HA GLU A 370 12.260 -2.664 -2.845 1.00 0.00 H new ATOM 0 HB2 GLU A 370 10.510 -1.353 -0.687 1.00 0.00 H new ATOM 0 HB3 GLU A 370 10.591 -3.092 -0.881 1.00 0.00 H new ATOM 0 HG2 GLU A 370 12.944 -3.157 -0.347 1.00 0.00 H new ATOM 0 HG3 GLU A 370 13.130 -1.431 -0.581 1.00 0.00 H new ATOM 94 N GLY A 371 10.424 -2.594 -4.647 1.00 0.00 N ATOM 95 CA GLY A 371 9.254 -2.893 -5.527 1.00 0.00 C ATOM 96 C GLY A 371 9.591 -4.076 -6.446 1.00 0.00 C ATOM 97 O GLY A 371 9.275 -4.058 -7.621 1.00 0.00 O ATOM 0 H GLY A 371 11.335 -2.651 -5.103 1.00 0.00 H new ATOM 0 HA2 GLY A 371 8.380 -3.128 -4.920 1.00 0.00 H new ATOM 0 HA3 GLY A 371 9.001 -2.016 -6.123 1.00 0.00 H new ATOM 101 N ASN A 372 10.232 -5.105 -5.927 1.00 0.00 N ATOM 102 CA ASN A 372 10.583 -6.280 -6.784 1.00 0.00 C ATOM 103 C ASN A 372 10.495 -7.580 -5.967 1.00 0.00 C ATOM 104 O ASN A 372 9.657 -8.422 -6.228 1.00 0.00 O ATOM 105 CB ASN A 372 12.021 -6.027 -7.234 1.00 0.00 C ATOM 106 CG ASN A 372 12.017 -5.256 -8.560 1.00 0.00 C ATOM 107 OD1 ASN A 372 11.632 -5.792 -9.580 1.00 0.00 O ATOM 108 ND2 ASN A 372 12.429 -4.012 -8.594 1.00 0.00 N ATOM 0 H ASN A 372 10.523 -5.177 -4.952 1.00 0.00 H new ATOM 0 HA ASN A 372 9.904 -6.390 -7.630 1.00 0.00 H new ATOM 0 HB2 ASN A 372 12.556 -5.459 -6.473 1.00 0.00 H new ATOM 0 HB3 ASN A 372 12.547 -6.974 -7.354 1.00 0.00 H new ATOM 0 HD21 ASN A 372 12.426 -3.498 -9.475 1.00 0.00 H new ATOM 0 HD22 ASN A 372 12.753 -3.559 -7.740 1.00 0.00 H new ATOM 115 N LYS A 373 11.351 -7.751 -4.979 1.00 0.00 N ATOM 116 CA LYS A 373 11.303 -8.997 -4.155 1.00 0.00 C ATOM 117 C LYS A 373 11.597 -8.668 -2.684 1.00 0.00 C ATOM 118 O LYS A 373 12.595 -9.096 -2.134 1.00 0.00 O ATOM 119 CB LYS A 373 12.388 -9.904 -4.736 1.00 0.00 C ATOM 120 CG LYS A 373 11.911 -11.356 -4.696 1.00 0.00 C ATOM 121 CD LYS A 373 10.860 -11.578 -5.787 1.00 0.00 C ATOM 122 CE LYS A 373 9.911 -12.700 -5.363 1.00 0.00 C ATOM 123 NZ LYS A 373 8.762 -12.009 -4.715 1.00 0.00 N ATOM 0 H LYS A 373 12.074 -7.083 -4.713 1.00 0.00 H new ATOM 0 HA LYS A 373 10.323 -9.474 -4.183 1.00 0.00 H new ATOM 0 HB2 LYS A 373 12.611 -9.611 -5.762 1.00 0.00 H new ATOM 0 HB3 LYS A 373 13.311 -9.797 -4.166 1.00 0.00 H new ATOM 0 HG2 LYS A 373 12.754 -12.031 -4.845 1.00 0.00 H new ATOM 0 HG3 LYS A 373 11.489 -11.585 -3.717 1.00 0.00 H new ATOM 0 HD2 LYS A 373 10.299 -10.659 -5.959 1.00 0.00 H new ATOM 0 HD3 LYS A 373 11.346 -11.835 -6.728 1.00 0.00 H new ATOM 0 HE2 LYS A 373 9.585 -13.287 -6.222 1.00 0.00 H new ATOM 0 HE3 LYS A 373 10.398 -13.389 -4.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 373 8.067 -12.714 -4.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 373 9.101 -11.464 -3.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 373 8.314 -11.365 -5.398 1.00 0.00 H new ATOM 137 N VAL A 374 10.734 -7.910 -2.040 1.00 0.00 N ATOM 138 CA VAL A 374 10.966 -7.559 -0.610 1.00 0.00 C ATOM 139 C VAL A 374 9.624 -7.465 0.132 1.00 0.00 C ATOM 140 O VAL A 374 8.584 -7.308 -0.482 1.00 0.00 O ATOM 141 CB VAL A 374 11.666 -6.195 -0.649 1.00 0.00 C ATOM 142 CG1 VAL A 374 11.916 -5.693 0.776 1.00 0.00 C ATOM 143 CG2 VAL A 374 13.003 -6.331 -1.380 1.00 0.00 C ATOM 0 H VAL A 374 9.883 -7.523 -2.448 1.00 0.00 H new ATOM 0 HA VAL A 374 11.564 -8.305 -0.086 1.00 0.00 H new ATOM 0 HB VAL A 374 11.029 -5.482 -1.173 1.00 0.00 H new ATOM 0 HG11 VAL A 374 12.413 -4.724 0.738 1.00 0.00 H new ATOM 0 HG12 VAL A 374 10.965 -5.593 1.299 1.00 0.00 H new ATOM 0 HG13 VAL A 374 12.548 -6.405 1.307 1.00 0.00 H new ATOM 0 HG21 VAL A 374 13.502 -5.362 -1.409 1.00 0.00 H new ATOM 0 HG22 VAL A 374 13.633 -7.049 -0.855 1.00 0.00 H new ATOM 0 HG23 VAL A 374 12.827 -6.679 -2.398 1.00 0.00 H new ATOM 153 N LYS A 375 9.638 -7.544 1.445 1.00 0.00 N ATOM 154 CA LYS A 375 8.351 -7.441 2.209 1.00 0.00 C ATOM 155 C LYS A 375 8.054 -5.960 2.502 1.00 0.00 C ATOM 156 O LYS A 375 8.542 -5.391 3.459 1.00 0.00 O ATOM 157 CB LYS A 375 8.543 -8.243 3.503 1.00 0.00 C ATOM 158 CG LYS A 375 8.607 -9.733 3.158 1.00 0.00 C ATOM 159 CD LYS A 375 8.822 -10.551 4.432 1.00 0.00 C ATOM 160 CE LYS A 375 9.628 -11.806 4.097 1.00 0.00 C ATOM 161 NZ LYS A 375 11.046 -11.434 4.360 1.00 0.00 N ATOM 0 H LYS A 375 10.475 -7.674 2.014 1.00 0.00 H new ATOM 0 HA LYS A 375 7.505 -7.838 1.648 1.00 0.00 H new ATOM 0 HB2 LYS A 375 9.459 -7.933 4.006 1.00 0.00 H new ATOM 0 HB3 LYS A 375 7.720 -8.050 4.191 1.00 0.00 H new ATOM 0 HG2 LYS A 375 7.684 -10.042 2.668 1.00 0.00 H new ATOM 0 HG3 LYS A 375 9.419 -9.918 2.455 1.00 0.00 H new ATOM 0 HD2 LYS A 375 9.349 -9.954 5.176 1.00 0.00 H new ATOM 0 HD3 LYS A 375 7.861 -10.827 4.867 1.00 0.00 H new ATOM 0 HE2 LYS A 375 9.320 -12.650 4.715 1.00 0.00 H new ATOM 0 HE3 LYS A 375 9.484 -12.102 3.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 375 11.662 -12.246 4.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 375 11.313 -10.633 3.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 375 11.154 -11.163 5.358 1.00 0.00 H new ATOM 175 N ARG A 376 7.250 -5.345 1.665 1.00 0.00 N ATOM 176 CA ARG A 376 6.903 -3.902 1.875 1.00 0.00 C ATOM 177 C ARG A 376 6.200 -3.726 3.224 1.00 0.00 C ATOM 178 O ARG A 376 5.698 -4.680 3.793 1.00 0.00 O ATOM 179 CB ARG A 376 5.952 -3.495 0.740 1.00 0.00 C ATOM 180 CG ARG A 376 6.737 -2.772 -0.356 1.00 0.00 C ATOM 181 CD ARG A 376 5.764 -2.178 -1.383 1.00 0.00 C ATOM 182 NE ARG A 376 6.116 -2.841 -2.678 1.00 0.00 N ATOM 183 CZ ARG A 376 5.635 -4.032 -3.005 1.00 0.00 C ATOM 184 NH1 ARG A 376 4.798 -4.677 -2.225 1.00 0.00 N ATOM 185 NH2 ARG A 376 5.996 -4.584 -4.134 1.00 0.00 N ATOM 0 H ARG A 376 6.820 -5.779 0.848 1.00 0.00 H new ATOM 0 HA ARG A 376 7.801 -3.284 1.873 1.00 0.00 H new ATOM 0 HB2 ARG A 376 5.463 -4.378 0.328 1.00 0.00 H new ATOM 0 HB3 ARG A 376 5.166 -2.846 1.126 1.00 0.00 H new ATOM 0 HG2 ARG A 376 7.347 -1.981 0.081 1.00 0.00 H new ATOM 0 HG3 ARG A 376 7.419 -3.466 -0.846 1.00 0.00 H new ATOM 0 HD2 ARG A 376 4.729 -2.377 -1.107 1.00 0.00 H new ATOM 0 HD3 ARG A 376 5.874 -1.096 -1.451 1.00 0.00 H new ATOM 0 HE ARG A 376 6.743 -2.364 -3.326 1.00 0.00 H new ATOM 0 HH11 ARG A 376 4.502 -4.262 -1.341 1.00 0.00 H new ATOM 0 HH12 ARG A 376 4.444 -5.592 -2.503 1.00 0.00 H new ATOM 0 HH21 ARG A 376 6.643 -4.098 -4.755 1.00 0.00 H new ATOM 0 HH22 ARG A 376 5.631 -5.500 -4.393 1.00 0.00 H new ATOM 199 N THR A 377 6.135 -2.516 3.732 1.00 0.00 N ATOM 200 CA THR A 377 5.434 -2.298 5.036 1.00 0.00 C ATOM 201 C THR A 377 3.952 -2.000 4.742 1.00 0.00 C ATOM 202 O THR A 377 3.655 -1.270 3.821 1.00 0.00 O ATOM 203 CB THR A 377 6.159 -1.107 5.709 1.00 0.00 C ATOM 204 OG1 THR A 377 5.870 -1.099 7.100 1.00 0.00 O ATOM 205 CG2 THR A 377 5.722 0.232 5.092 1.00 0.00 C ATOM 0 H THR A 377 6.533 -1.680 3.304 1.00 0.00 H new ATOM 0 HA THR A 377 5.461 -3.162 5.700 1.00 0.00 H new ATOM 0 HB THR A 377 7.230 -1.227 5.549 1.00 0.00 H new ATOM 0 HG1 THR A 377 6.331 -0.346 7.525 1.00 0.00 H new ATOM 0 HG21 THR A 377 6.248 1.049 5.586 1.00 0.00 H new ATOM 0 HG22 THR A 377 5.960 0.237 4.028 1.00 0.00 H new ATOM 0 HG23 THR A 377 4.648 0.360 5.224 1.00 0.00 H new ATOM 213 N SER A 378 3.023 -2.553 5.497 1.00 0.00 N ATOM 214 CA SER A 378 1.560 -2.274 5.208 1.00 0.00 C ATOM 215 C SER A 378 1.336 -0.758 5.139 1.00 0.00 C ATOM 216 O SER A 378 2.049 -0.004 5.778 1.00 0.00 O ATOM 217 CB SER A 378 0.745 -2.886 6.361 1.00 0.00 C ATOM 218 OG SER A 378 -0.406 -2.084 6.606 1.00 0.00 O ATOM 0 H SER A 378 3.203 -3.174 6.286 1.00 0.00 H new ATOM 0 HA SER A 378 1.253 -2.707 4.256 1.00 0.00 H new ATOM 0 HB2 SER A 378 0.446 -3.903 6.109 1.00 0.00 H new ATOM 0 HB3 SER A 378 1.357 -2.947 7.261 1.00 0.00 H new ATOM 0 HG SER A 378 -0.926 -2.474 7.339 1.00 0.00 H new ATOM 224 N CYS A 379 0.376 -0.293 4.374 1.00 0.00 N ATOM 225 CA CYS A 379 0.154 1.196 4.284 1.00 0.00 C ATOM 226 C CYS A 379 -0.653 1.719 5.488 1.00 0.00 C ATOM 227 O CYS A 379 -1.463 1.013 6.055 1.00 0.00 O ATOM 228 CB CYS A 379 -0.638 1.414 2.986 1.00 0.00 C ATOM 229 SG CYS A 379 -0.806 3.180 2.650 1.00 0.00 S ATOM 0 H CYS A 379 -0.257 -0.865 3.815 1.00 0.00 H new ATOM 0 HA CYS A 379 1.102 1.734 4.288 1.00 0.00 H new ATOM 0 HB2 CYS A 379 -0.131 0.925 2.155 1.00 0.00 H new ATOM 0 HB3 CYS A 379 -1.624 0.957 3.071 1.00 0.00 H new ATOM 234 N MET A 380 -0.436 2.964 5.877 1.00 0.00 N ATOM 235 CA MET A 380 -1.196 3.554 7.052 1.00 0.00 C ATOM 236 C MET A 380 -2.712 3.291 6.941 1.00 0.00 C ATOM 237 O MET A 380 -3.386 3.152 7.943 1.00 0.00 O ATOM 238 CB MET A 380 -0.944 5.063 7.011 1.00 0.00 C ATOM 239 CG MET A 380 0.530 5.332 7.290 1.00 0.00 C ATOM 240 SD MET A 380 0.723 7.002 7.962 1.00 0.00 S ATOM 241 CE MET A 380 0.127 7.901 6.508 1.00 0.00 C ATOM 0 H MET A 380 0.231 3.598 5.436 1.00 0.00 H new ATOM 0 HA MET A 380 -0.857 3.099 7.983 1.00 0.00 H new ATOM 0 HB2 MET A 380 -1.221 5.464 6.036 1.00 0.00 H new ATOM 0 HB3 MET A 380 -1.565 5.568 7.751 1.00 0.00 H new ATOM 0 HG2 MET A 380 0.917 4.597 7.996 1.00 0.00 H new ATOM 0 HG3 MET A 380 1.109 5.229 6.373 1.00 0.00 H new ATOM 0 HE1 MET A 380 0.925 8.533 6.119 1.00 0.00 H new ATOM 0 HE2 MET A 380 -0.179 7.190 5.741 1.00 0.00 H new ATOM 0 HE3 MET A 380 -0.724 8.522 6.788 1.00 0.00 H new ATOM 251 N TYR A 381 -3.248 3.199 5.739 1.00 0.00 N ATOM 252 CA TYR A 381 -4.705 2.915 5.597 1.00 0.00 C ATOM 253 C TYR A 381 -4.923 1.948 4.427 1.00 0.00 C ATOM 254 O TYR A 381 -5.880 2.087 3.697 1.00 0.00 O ATOM 255 CB TYR A 381 -5.390 4.246 5.271 1.00 0.00 C ATOM 256 CG TYR A 381 -4.958 5.365 6.193 1.00 0.00 C ATOM 257 CD1 TYR A 381 -3.776 6.096 5.905 1.00 0.00 C ATOM 258 CD2 TYR A 381 -5.768 5.730 7.305 1.00 0.00 C ATOM 259 CE1 TYR A 381 -3.399 7.187 6.727 1.00 0.00 C ATOM 260 CE2 TYR A 381 -5.387 6.825 8.127 1.00 0.00 C ATOM 261 CZ TYR A 381 -4.205 7.551 7.838 1.00 0.00 C ATOM 262 OH TYR A 381 -3.835 8.612 8.639 1.00 0.00 O ATOM 0 H TYR A 381 -2.738 3.308 4.863 1.00 0.00 H new ATOM 0 HA TYR A 381 -5.106 2.471 6.508 1.00 0.00 H new ATOM 0 HB2 TYR A 381 -5.166 4.523 4.241 1.00 0.00 H new ATOM 0 HB3 TYR A 381 -6.471 4.120 5.340 1.00 0.00 H new ATOM 0 HD1 TYR A 381 -3.164 5.821 5.059 1.00 0.00 H new ATOM 0 HD2 TYR A 381 -6.669 5.177 7.523 1.00 0.00 H new ATOM 0 HE1 TYR A 381 -2.499 7.742 6.508 1.00 0.00 H new ATOM 0 HE2 TYR A 381 -5.999 7.104 8.972 1.00 0.00 H new ATOM 0 HH TYR A 381 -4.521 9.311 8.594 1.00 0.00 H new ATOM 272 N GLY A 382 -4.028 0.996 4.211 1.00 0.00 N ATOM 273 CA GLY A 382 -4.161 0.039 3.055 1.00 0.00 C ATOM 274 C GLY A 382 -5.615 -0.379 2.774 1.00 0.00 C ATOM 275 O GLY A 382 -6.027 -0.434 1.630 1.00 0.00 O ATOM 0 H GLY A 382 -3.205 0.843 4.794 1.00 0.00 H new ATOM 0 HA2 GLY A 382 -3.744 0.501 2.160 1.00 0.00 H new ATOM 0 HA3 GLY A 382 -3.567 -0.852 3.260 1.00 0.00 H new ATOM 279 N ALA A 383 -6.397 -0.666 3.790 1.00 0.00 N ATOM 280 CA ALA A 383 -7.825 -1.069 3.521 1.00 0.00 C ATOM 281 C ALA A 383 -8.576 0.059 2.784 1.00 0.00 C ATOM 282 O ALA A 383 -9.483 -0.205 2.015 1.00 0.00 O ATOM 283 CB ALA A 383 -8.475 -1.341 4.885 1.00 0.00 C ATOM 0 H ALA A 383 -6.122 -0.641 4.772 1.00 0.00 H new ATOM 0 HA ALA A 383 -7.865 -1.954 2.886 1.00 0.00 H new ATOM 0 HB1 ALA A 383 -9.514 -1.637 4.740 1.00 0.00 H new ATOM 0 HB2 ALA A 383 -7.936 -2.142 5.391 1.00 0.00 H new ATOM 0 HB3 ALA A 383 -8.437 -0.437 5.493 1.00 0.00 H new ATOM 289 N ASN A 384 -8.214 1.309 3.007 1.00 0.00 N ATOM 290 CA ASN A 384 -8.921 2.433 2.316 1.00 0.00 C ATOM 291 C ASN A 384 -7.913 3.462 1.754 1.00 0.00 C ATOM 292 O ASN A 384 -8.243 4.623 1.618 1.00 0.00 O ATOM 293 CB ASN A 384 -9.781 3.102 3.402 1.00 0.00 C ATOM 294 CG ASN A 384 -10.622 2.053 4.150 1.00 0.00 C ATOM 295 OD1 ASN A 384 -10.067 1.319 5.089 1.00 0.00 O flip ATOM 296 ND2 ASN A 384 -11.797 1.902 3.883 1.00 0.00 N flip ATOM 0 H ASN A 384 -7.462 1.592 3.636 1.00 0.00 H new ATOM 0 HA ASN A 384 -9.512 2.068 1.476 1.00 0.00 H new ATOM 0 HB2 ASN A 384 -9.139 3.631 4.107 1.00 0.00 H new ATOM 0 HB3 ASN A 384 -10.437 3.845 2.948 1.00 0.00 H new ATOM 0 HD21 ASN A 384 -12.232 2.469 3.155 1.00 0.00 H new ATOM 0 HD22 ASN A 384 -12.349 1.208 4.387 1.00 0.00 H new ATOM 303 N CYS A 385 -6.687 3.066 1.450 1.00 0.00 N ATOM 304 CA CYS A 385 -5.669 4.061 0.921 1.00 0.00 C ATOM 305 C CYS A 385 -6.247 4.910 -0.236 1.00 0.00 C ATOM 306 O CYS A 385 -6.171 4.517 -1.384 1.00 0.00 O ATOM 307 CB CYS A 385 -4.487 3.222 0.400 1.00 0.00 C ATOM 308 SG CYS A 385 -3.103 4.310 -0.026 1.00 0.00 S ATOM 0 H CYS A 385 -6.347 2.109 1.543 1.00 0.00 H new ATOM 0 HA CYS A 385 -5.374 4.755 1.708 1.00 0.00 H new ATOM 0 HB2 CYS A 385 -4.177 2.504 1.159 1.00 0.00 H new ATOM 0 HB3 CYS A 385 -4.794 2.649 -0.475 1.00 0.00 H new ATOM 313 N TYR A 386 -6.818 6.068 0.053 1.00 0.00 N ATOM 314 CA TYR A 386 -7.386 6.919 -1.053 1.00 0.00 C ATOM 315 C TYR A 386 -6.247 7.481 -1.931 1.00 0.00 C ATOM 316 O TYR A 386 -6.376 7.554 -3.138 1.00 0.00 O ATOM 317 CB TYR A 386 -8.204 8.056 -0.378 1.00 0.00 C ATOM 318 CG TYR A 386 -7.291 9.125 0.198 1.00 0.00 C ATOM 319 CD1 TYR A 386 -6.836 10.179 -0.636 1.00 0.00 C ATOM 320 CD2 TYR A 386 -6.888 9.072 1.561 1.00 0.00 C ATOM 321 CE1 TYR A 386 -5.978 11.179 -0.113 1.00 0.00 C ATOM 322 CE2 TYR A 386 -6.022 10.076 2.093 1.00 0.00 C ATOM 323 CZ TYR A 386 -5.569 11.129 1.248 1.00 0.00 C ATOM 324 OH TYR A 386 -4.738 12.109 1.745 1.00 0.00 O ATOM 0 H TYR A 386 -6.913 6.454 0.992 1.00 0.00 H new ATOM 0 HA TYR A 386 -8.032 6.337 -1.711 1.00 0.00 H new ATOM 0 HB2 TYR A 386 -8.878 8.505 -1.108 1.00 0.00 H new ATOM 0 HB3 TYR A 386 -8.825 7.639 0.415 1.00 0.00 H new ATOM 0 HD1 TYR A 386 -7.144 10.219 -1.670 1.00 0.00 H new ATOM 0 HD2 TYR A 386 -7.238 8.271 2.195 1.00 0.00 H new ATOM 0 HE1 TYR A 386 -5.634 11.981 -0.750 1.00 0.00 H new ATOM 0 HE2 TYR A 386 -5.713 10.037 3.127 1.00 0.00 H new ATOM 0 HH TYR A 386 -5.237 12.675 2.371 1.00 0.00 H new ATOM 334 N ARG A 387 -5.135 7.876 -1.336 1.00 0.00 N ATOM 335 CA ARG A 387 -4.004 8.424 -2.170 1.00 0.00 C ATOM 336 C ARG A 387 -3.443 7.312 -3.067 1.00 0.00 C ATOM 337 O ARG A 387 -3.474 6.150 -2.706 1.00 0.00 O ATOM 338 CB ARG A 387 -2.924 8.951 -1.203 1.00 0.00 C ATOM 339 CG ARG A 387 -2.384 7.819 -0.314 1.00 0.00 C ATOM 340 CD ARG A 387 -2.170 8.345 1.113 1.00 0.00 C ATOM 341 NE ARG A 387 -0.773 7.945 1.476 1.00 0.00 N ATOM 342 CZ ARG A 387 0.275 8.625 1.036 1.00 0.00 C ATOM 343 NH1 ARG A 387 0.136 9.658 0.238 1.00 0.00 N ATOM 344 NH2 ARG A 387 1.479 8.262 1.399 1.00 0.00 N ATOM 0 H ARG A 387 -4.964 7.844 -0.331 1.00 0.00 H new ATOM 0 HA ARG A 387 -4.346 9.233 -2.815 1.00 0.00 H new ATOM 0 HB2 ARG A 387 -2.106 9.394 -1.771 1.00 0.00 H new ATOM 0 HB3 ARG A 387 -3.343 9.741 -0.579 1.00 0.00 H new ATOM 0 HG2 ARG A 387 -3.085 6.984 -0.304 1.00 0.00 H new ATOM 0 HG3 ARG A 387 -1.445 7.441 -0.718 1.00 0.00 H new ATOM 0 HD2 ARG A 387 -2.293 9.427 1.156 1.00 0.00 H new ATOM 0 HD3 ARG A 387 -2.895 7.914 1.804 1.00 0.00 H new ATOM 0 HE ARG A 387 -0.626 7.132 2.074 1.00 0.00 H new ATOM 0 HH11 ARG A 387 -0.795 9.953 -0.057 1.00 0.00 H new ATOM 0 HH12 ARG A 387 0.959 10.165 -0.087 1.00 0.00 H new ATOM 0 HH21 ARG A 387 1.605 7.460 2.017 1.00 0.00 H new ATOM 0 HH22 ARG A 387 2.291 8.781 1.064 1.00 0.00 H new ATOM 358 N LYS A 388 -2.952 7.648 -4.242 1.00 0.00 N ATOM 359 CA LYS A 388 -2.419 6.593 -5.157 1.00 0.00 C ATOM 360 C LYS A 388 -1.287 7.150 -6.038 1.00 0.00 C ATOM 361 O LYS A 388 -1.529 7.656 -7.118 1.00 0.00 O ATOM 362 CB LYS A 388 -3.623 6.181 -6.019 1.00 0.00 C ATOM 363 CG LYS A 388 -4.213 7.410 -6.741 1.00 0.00 C ATOM 364 CD LYS A 388 -5.604 7.731 -6.189 1.00 0.00 C ATOM 365 CE LYS A 388 -6.355 8.614 -7.189 1.00 0.00 C ATOM 366 NZ LYS A 388 -6.065 10.013 -6.767 1.00 0.00 N ATOM 0 H LYS A 388 -2.900 8.601 -4.601 1.00 0.00 H new ATOM 0 HA LYS A 388 -1.994 5.752 -4.609 1.00 0.00 H new ATOM 0 HB2 LYS A 388 -3.316 5.434 -6.751 1.00 0.00 H new ATOM 0 HB3 LYS A 388 -4.386 5.718 -5.392 1.00 0.00 H new ATOM 0 HG2 LYS A 388 -3.555 8.269 -6.609 1.00 0.00 H new ATOM 0 HG3 LYS A 388 -4.275 7.217 -7.812 1.00 0.00 H new ATOM 0 HD2 LYS A 388 -6.159 6.810 -6.012 1.00 0.00 H new ATOM 0 HD3 LYS A 388 -5.518 8.241 -5.229 1.00 0.00 H new ATOM 0 HE2 LYS A 388 -6.015 8.432 -8.209 1.00 0.00 H new ATOM 0 HE3 LYS A 388 -7.426 8.410 -7.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 -6.547 10.676 -7.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 -6.406 10.160 -5.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 -5.039 10.181 -6.803 1.00 0.00 H new ATOM 380 N ASN A 389 -0.048 7.058 -5.602 1.00 0.00 N ATOM 381 CA ASN A 389 1.071 7.589 -6.447 1.00 0.00 C ATOM 382 C ASN A 389 1.764 6.441 -7.194 1.00 0.00 C ATOM 383 O ASN A 389 1.533 5.287 -6.896 1.00 0.00 O ATOM 384 CB ASN A 389 2.055 8.261 -5.479 1.00 0.00 C ATOM 385 CG ASN A 389 1.819 9.776 -5.466 1.00 0.00 C ATOM 386 OD1 ASN A 389 0.736 10.231 -5.776 1.00 0.00 O ATOM 387 ND2 ASN A 389 2.790 10.584 -5.118 1.00 0.00 N ATOM 0 H ASN A 389 0.232 6.645 -4.712 1.00 0.00 H new ATOM 0 HA ASN A 389 0.705 8.292 -7.195 1.00 0.00 H new ATOM 0 HB2 ASN A 389 1.926 7.855 -4.476 1.00 0.00 H new ATOM 0 HB3 ASN A 389 3.080 8.046 -5.781 1.00 0.00 H new ATOM 0 HD21 ASN A 389 2.636 11.592 -5.108 1.00 0.00 H new ATOM 0 HD22 ASN A 389 3.700 10.205 -4.857 1.00 0.00 H new ATOM 394 N PRO A 390 2.604 6.792 -8.142 1.00 0.00 N ATOM 395 CA PRO A 390 3.338 5.760 -8.918 1.00 0.00 C ATOM 396 C PRO A 390 4.495 5.162 -8.084 1.00 0.00 C ATOM 397 O PRO A 390 4.886 4.038 -8.296 1.00 0.00 O ATOM 398 CB PRO A 390 3.882 6.531 -10.117 1.00 0.00 C ATOM 399 CG PRO A 390 3.982 7.953 -9.661 1.00 0.00 C ATOM 400 CD PRO A 390 2.954 8.155 -8.578 1.00 0.00 C ATOM 0 HA PRO A 390 2.707 4.919 -9.203 1.00 0.00 H new ATOM 0 HB2 PRO A 390 4.855 6.147 -10.423 1.00 0.00 H new ATOM 0 HB3 PRO A 390 3.219 6.440 -10.977 1.00 0.00 H new ATOM 0 HG2 PRO A 390 4.983 8.165 -9.284 1.00 0.00 H new ATOM 0 HG3 PRO A 390 3.803 8.635 -10.492 1.00 0.00 H new ATOM 0 HD2 PRO A 390 3.356 8.744 -7.754 1.00 0.00 H new ATOM 0 HD3 PRO A 390 2.081 8.688 -8.954 1.00 0.00 H new ATOM 408 N VAL A 391 5.031 5.902 -7.129 1.00 0.00 N ATOM 409 CA VAL A 391 6.136 5.367 -6.263 1.00 0.00 C ATOM 410 C VAL A 391 5.613 4.926 -4.868 1.00 0.00 C ATOM 411 O VAL A 391 6.278 4.182 -4.172 1.00 0.00 O ATOM 412 CB VAL A 391 7.143 6.513 -6.124 1.00 0.00 C ATOM 413 CG1 VAL A 391 8.313 6.076 -5.235 1.00 0.00 C ATOM 414 CG2 VAL A 391 7.678 6.898 -7.505 1.00 0.00 C ATOM 0 H VAL A 391 4.746 6.858 -6.915 1.00 0.00 H new ATOM 0 HA VAL A 391 6.585 4.479 -6.709 1.00 0.00 H new ATOM 0 HB VAL A 391 6.644 7.370 -5.671 1.00 0.00 H new ATOM 0 HG11 VAL A 391 9.025 6.896 -5.141 1.00 0.00 H new ATOM 0 HG12 VAL A 391 7.939 5.806 -4.248 1.00 0.00 H new ATOM 0 HG13 VAL A 391 8.809 5.215 -5.683 1.00 0.00 H new ATOM 0 HG21 VAL A 391 8.394 7.713 -7.403 1.00 0.00 H new ATOM 0 HG22 VAL A 391 8.170 6.037 -7.958 1.00 0.00 H new ATOM 0 HG23 VAL A 391 6.851 7.218 -8.139 1.00 0.00 H new ATOM 424 N HIS A 392 4.453 5.392 -4.436 1.00 0.00 N ATOM 425 CA HIS A 392 3.932 5.009 -3.072 1.00 0.00 C ATOM 426 C HIS A 392 3.682 3.493 -3.005 1.00 0.00 C ATOM 427 O HIS A 392 4.003 2.858 -2.017 1.00 0.00 O ATOM 428 CB HIS A 392 2.625 5.816 -2.898 1.00 0.00 C ATOM 429 CG HIS A 392 1.828 5.337 -1.715 1.00 0.00 C ATOM 430 ND1 HIS A 392 1.956 5.901 -0.456 1.00 0.00 N ATOM 431 CD2 HIS A 392 0.860 4.376 -1.603 1.00 0.00 C ATOM 432 CE1 HIS A 392 1.076 5.284 0.351 1.00 0.00 C ATOM 433 NE2 HIS A 392 0.382 4.347 -0.301 1.00 0.00 N ATOM 0 H HIS A 392 3.848 6.018 -4.967 1.00 0.00 H new ATOM 0 HA HIS A 392 4.640 5.233 -2.274 1.00 0.00 H new ATOM 0 HB2 HIS A 392 2.864 6.872 -2.772 1.00 0.00 H new ATOM 0 HB3 HIS A 392 2.022 5.731 -3.802 1.00 0.00 H new ATOM 0 HD1 HIS A 392 2.599 6.647 -0.191 1.00 0.00 H new ATOM 0 HD2 HIS A 392 0.520 3.738 -2.405 1.00 0.00 H new ATOM 0 HE1 HIS A 392 0.946 5.517 1.398 1.00 0.00 H new ATOM 441 N PHE A 393 3.150 2.899 -4.053 1.00 0.00 N ATOM 442 CA PHE A 393 2.930 1.405 -4.026 1.00 0.00 C ATOM 443 C PHE A 393 4.271 0.703 -3.745 1.00 0.00 C ATOM 444 O PHE A 393 4.309 -0.329 -3.104 1.00 0.00 O ATOM 445 CB PHE A 393 2.411 1.000 -5.417 1.00 0.00 C ATOM 446 CG PHE A 393 0.928 1.268 -5.514 1.00 0.00 C ATOM 447 CD1 PHE A 393 0.000 0.375 -4.913 1.00 0.00 C ATOM 448 CD2 PHE A 393 0.461 2.413 -6.214 1.00 0.00 C ATOM 449 CE1 PHE A 393 -1.395 0.627 -5.013 1.00 0.00 C ATOM 450 CE2 PHE A 393 -0.934 2.666 -6.312 1.00 0.00 C ATOM 451 CZ PHE A 393 -1.862 1.774 -5.712 1.00 0.00 C ATOM 0 H PHE A 393 2.863 3.370 -4.911 1.00 0.00 H new ATOM 0 HA PHE A 393 2.218 1.122 -3.251 1.00 0.00 H new ATOM 0 HB2 PHE A 393 2.941 1.559 -6.189 1.00 0.00 H new ATOM 0 HB3 PHE A 393 2.610 -0.057 -5.595 1.00 0.00 H new ATOM 0 HD1 PHE A 393 0.355 -0.495 -4.380 1.00 0.00 H new ATOM 0 HD2 PHE A 393 1.166 3.091 -6.672 1.00 0.00 H new ATOM 0 HE1 PHE A 393 -2.100 -0.053 -4.558 1.00 0.00 H new ATOM 0 HE2 PHE A 393 -1.289 3.537 -6.843 1.00 0.00 H new ATOM 0 HZ PHE A 393 -2.922 1.967 -5.787 1.00 0.00 H new ATOM 461 N GLN A 394 5.368 1.253 -4.237 1.00 0.00 N ATOM 462 CA GLN A 394 6.696 0.583 -3.995 1.00 0.00 C ATOM 463 C GLN A 394 7.145 0.753 -2.535 1.00 0.00 C ATOM 464 O GLN A 394 7.828 -0.100 -2.001 1.00 0.00 O ATOM 465 CB GLN A 394 7.713 1.240 -4.941 1.00 0.00 C ATOM 466 CG GLN A 394 7.484 0.743 -6.373 1.00 0.00 C ATOM 467 CD GLN A 394 6.746 1.821 -7.167 1.00 0.00 C ATOM 468 OE1 GLN A 394 7.367 2.698 -7.733 1.00 0.00 O ATOM 469 NE2 GLN A 394 5.440 1.792 -7.249 1.00 0.00 N ATOM 0 H GLN A 394 5.401 2.115 -4.782 1.00 0.00 H new ATOM 0 HA GLN A 394 6.617 -0.488 -4.184 1.00 0.00 H new ATOM 0 HB2 GLN A 394 7.612 2.325 -4.902 1.00 0.00 H new ATOM 0 HB3 GLN A 394 8.728 1.002 -4.621 1.00 0.00 H new ATOM 0 HG2 GLN A 394 8.438 0.513 -6.848 1.00 0.00 H new ATOM 0 HG3 GLN A 394 6.903 -0.179 -6.362 1.00 0.00 H new ATOM 0 HE21 GLN A 394 4.915 1.057 -6.775 1.00 0.00 H new ATOM 0 HE22 GLN A 394 4.947 2.505 -7.787 1.00 0.00 H new ATOM 478 N HIS A 395 6.792 1.846 -1.886 1.00 0.00 N ATOM 479 CA HIS A 395 7.239 2.039 -0.459 1.00 0.00 C ATOM 480 C HIS A 395 6.255 1.399 0.539 1.00 0.00 C ATOM 481 O HIS A 395 6.661 0.958 1.599 1.00 0.00 O ATOM 482 CB HIS A 395 7.288 3.554 -0.233 1.00 0.00 C ATOM 483 CG HIS A 395 8.476 4.139 -0.946 1.00 0.00 C ATOM 484 ND1 HIS A 395 9.009 5.368 -0.597 1.00 0.00 N ATOM 485 CD2 HIS A 395 9.240 3.679 -1.990 1.00 0.00 C ATOM 486 CE1 HIS A 395 10.049 5.606 -1.418 1.00 0.00 C ATOM 487 NE2 HIS A 395 10.233 4.608 -2.286 1.00 0.00 N ATOM 0 H HIS A 395 6.224 2.600 -2.273 1.00 0.00 H new ATOM 0 HA HIS A 395 8.206 1.562 -0.297 1.00 0.00 H new ATOM 0 HB2 HIS A 395 6.370 4.015 -0.598 1.00 0.00 H new ATOM 0 HB3 HIS A 395 7.350 3.770 0.834 1.00 0.00 H new ATOM 0 HD2 HIS A 395 9.093 2.740 -2.503 1.00 0.00 H new ATOM 0 HE1 HIS A 395 10.660 6.496 -1.379 1.00 0.00 H new ATOM 0 HE2 HIS A 395 10.948 4.541 -3.010 1.00 0.00 H new ATOM 496 N PHE A 396 4.972 1.359 0.237 1.00 0.00 N ATOM 497 CA PHE A 396 3.996 0.762 1.207 1.00 0.00 C ATOM 498 C PHE A 396 3.231 -0.413 0.576 1.00 0.00 C ATOM 499 O PHE A 396 2.896 -0.385 -0.593 1.00 0.00 O ATOM 500 CB PHE A 396 3.025 1.897 1.539 1.00 0.00 C ATOM 501 CG PHE A 396 3.770 3.040 2.190 1.00 0.00 C ATOM 502 CD1 PHE A 396 4.448 3.995 1.387 1.00 0.00 C ATOM 503 CD2 PHE A 396 3.786 3.161 3.606 1.00 0.00 C ATOM 504 CE1 PHE A 396 5.143 5.074 1.999 1.00 0.00 C ATOM 505 CE2 PHE A 396 4.482 4.238 4.218 1.00 0.00 C ATOM 506 CZ PHE A 396 5.160 5.195 3.414 1.00 0.00 C ATOM 0 H PHE A 396 4.565 1.710 -0.630 1.00 0.00 H new ATOM 0 HA PHE A 396 4.501 0.368 2.089 1.00 0.00 H new ATOM 0 HB2 PHE A 396 2.533 2.243 0.630 1.00 0.00 H new ATOM 0 HB3 PHE A 396 2.243 1.534 2.206 1.00 0.00 H new ATOM 0 HD1 PHE A 396 4.436 3.902 0.311 1.00 0.00 H new ATOM 0 HD2 PHE A 396 3.270 2.435 4.216 1.00 0.00 H new ATOM 0 HE1 PHE A 396 5.658 5.801 1.388 1.00 0.00 H new ATOM 0 HE2 PHE A 396 4.496 4.330 5.294 1.00 0.00 H new ATOM 0 HZ PHE A 396 5.688 6.014 3.879 1.00 0.00 H new ATOM 516 N SER A 397 2.933 -1.438 1.352 1.00 0.00 N ATOM 517 CA SER A 397 2.170 -2.598 0.801 1.00 0.00 C ATOM 518 C SER A 397 0.669 -2.336 0.950 1.00 0.00 C ATOM 519 O SER A 397 0.266 -1.358 1.551 1.00 0.00 O ATOM 520 CB SER A 397 2.591 -3.843 1.605 1.00 0.00 C ATOM 521 OG SER A 397 3.543 -3.477 2.595 1.00 0.00 O ATOM 0 H SER A 397 3.187 -1.515 2.337 1.00 0.00 H new ATOM 0 HA SER A 397 2.380 -2.748 -0.258 1.00 0.00 H new ATOM 0 HB2 SER A 397 1.718 -4.295 2.076 1.00 0.00 H new ATOM 0 HB3 SER A 397 3.017 -4.592 0.937 1.00 0.00 H new ATOM 0 HG SER A 397 3.570 -4.164 3.293 1.00 0.00 H new ATOM 527 N HIS A 398 -0.161 -3.187 0.393 1.00 0.00 N ATOM 528 CA HIS A 398 -1.632 -2.968 0.493 1.00 0.00 C ATOM 529 C HIS A 398 -2.351 -4.318 0.606 1.00 0.00 C ATOM 530 O HIS A 398 -1.823 -5.320 0.169 1.00 0.00 O ATOM 531 CB HIS A 398 -2.004 -2.253 -0.811 1.00 0.00 C ATOM 532 CG HIS A 398 -1.446 -0.852 -0.793 1.00 0.00 C ATOM 533 ND1 HIS A 398 -0.371 -0.470 -1.583 1.00 0.00 N ATOM 534 CD2 HIS A 398 -1.800 0.265 -0.079 1.00 0.00 C ATOM 535 CE1 HIS A 398 -0.118 0.829 -1.323 1.00 0.00 C ATOM 536 NE2 HIS A 398 -0.963 1.325 -0.411 1.00 0.00 N ATOM 0 H HIS A 398 0.120 -4.020 -0.124 1.00 0.00 H new ATOM 0 HA HIS A 398 -1.918 -2.386 1.369 1.00 0.00 H new ATOM 0 HB2 HIS A 398 -1.608 -2.803 -1.665 1.00 0.00 H new ATOM 0 HB3 HIS A 398 -3.088 -2.223 -0.925 1.00 0.00 H new ATOM 0 HD1 HIS A 398 0.135 -1.063 -2.240 1.00 0.00 H new ATOM 0 HD2 HIS A 398 -2.609 0.314 0.635 1.00 0.00 H new ATOM 0 HE1 HIS A 398 0.670 1.399 -1.793 1.00 0.00 H new ATOM 544 N PRO A 399 -3.539 -4.320 1.176 1.00 0.00 N ATOM 545 CA PRO A 399 -4.297 -5.591 1.309 1.00 0.00 C ATOM 546 C PRO A 399 -4.565 -6.167 -0.092 1.00 0.00 C ATOM 547 O PRO A 399 -4.894 -5.436 -1.008 1.00 0.00 O ATOM 548 CB PRO A 399 -5.580 -5.169 2.036 1.00 0.00 C ATOM 549 CG PRO A 399 -5.705 -3.709 1.754 1.00 0.00 C ATOM 550 CD PRO A 399 -4.294 -3.183 1.722 1.00 0.00 C ATOM 0 HA PRO A 399 -3.777 -6.377 1.856 1.00 0.00 H new ATOM 0 HB2 PRO A 399 -6.445 -5.720 1.667 1.00 0.00 H new ATOM 0 HB3 PRO A 399 -5.512 -5.362 3.107 1.00 0.00 H new ATOM 0 HG2 PRO A 399 -6.210 -3.535 0.804 1.00 0.00 H new ATOM 0 HG3 PRO A 399 -6.293 -3.209 2.524 1.00 0.00 H new ATOM 0 HD2 PRO A 399 -4.206 -2.298 1.092 1.00 0.00 H new ATOM 0 HD3 PRO A 399 -3.943 -2.903 2.715 1.00 0.00 H new ATOM 558 N GLY A 400 -4.393 -7.458 -0.277 1.00 0.00 N ATOM 559 CA GLY A 400 -4.601 -8.051 -1.630 1.00 0.00 C ATOM 560 C GLY A 400 -3.239 -8.364 -2.308 1.00 0.00 C ATOM 561 O GLY A 400 -3.216 -8.921 -3.389 1.00 0.00 O ATOM 0 H GLY A 400 -4.119 -8.119 0.450 1.00 0.00 H new ATOM 0 HA2 GLY A 400 -5.189 -8.965 -1.545 1.00 0.00 H new ATOM 0 HA3 GLY A 400 -5.172 -7.361 -2.251 1.00 0.00 H new ATOM 565 N ASP A 401 -2.106 -8.048 -1.685 1.00 0.00 N ATOM 566 CA ASP A 401 -0.797 -8.377 -2.310 1.00 0.00 C ATOM 567 C ASP A 401 -0.060 -9.375 -1.418 1.00 0.00 C ATOM 568 O ASP A 401 -0.253 -9.389 -0.216 1.00 0.00 O ATOM 569 CB ASP A 401 -0.025 -7.063 -2.394 1.00 0.00 C ATOM 570 CG ASP A 401 0.904 -7.101 -3.610 1.00 0.00 C ATOM 571 OD1 ASP A 401 1.644 -8.063 -3.735 1.00 0.00 O ATOM 572 OD2 ASP A 401 0.857 -6.170 -4.397 1.00 0.00 O ATOM 0 H ASP A 401 -2.050 -7.581 -0.780 1.00 0.00 H new ATOM 0 HA ASP A 401 -0.909 -8.824 -3.298 1.00 0.00 H new ATOM 0 HB2 ASP A 401 -0.718 -6.225 -2.477 1.00 0.00 H new ATOM 0 HB3 ASP A 401 0.554 -6.909 -1.484 1.00 0.00 H new ATOM 577 N SER A 402 0.773 -10.217 -1.982 1.00 0.00 N ATOM 578 CA SER A 402 1.502 -11.214 -1.126 1.00 0.00 C ATOM 579 C SER A 402 2.337 -10.514 -0.040 1.00 0.00 C ATOM 580 O SER A 402 2.596 -11.094 1.000 1.00 0.00 O ATOM 581 CB SER A 402 2.422 -12.015 -2.056 1.00 0.00 C ATOM 582 OG SER A 402 2.931 -11.162 -3.072 1.00 0.00 O ATOM 0 H SER A 402 0.979 -10.260 -2.980 1.00 0.00 H new ATOM 0 HA SER A 402 0.788 -11.861 -0.616 1.00 0.00 H new ATOM 0 HB2 SER A 402 3.243 -12.449 -1.486 1.00 0.00 H new ATOM 0 HB3 SER A 402 1.872 -12.843 -2.504 1.00 0.00 H new ATOM 0 HG SER A 402 3.520 -11.674 -3.665 1.00 0.00 H new ATOM 588 N ASP A 403 2.796 -9.296 -0.266 1.00 0.00 N ATOM 589 CA ASP A 403 3.649 -8.625 0.774 1.00 0.00 C ATOM 590 C ASP A 403 2.834 -7.842 1.819 1.00 0.00 C ATOM 591 O ASP A 403 3.426 -7.241 2.694 1.00 0.00 O ATOM 592 CB ASP A 403 4.558 -7.658 0.003 1.00 0.00 C ATOM 593 CG ASP A 403 5.466 -8.455 -0.933 1.00 0.00 C ATOM 594 OD1 ASP A 403 6.323 -9.163 -0.432 1.00 0.00 O ATOM 595 OD2 ASP A 403 5.286 -8.349 -2.136 1.00 0.00 O ATOM 0 H ASP A 403 2.620 -8.749 -1.109 1.00 0.00 H new ATOM 0 HA ASP A 403 4.199 -9.380 1.336 1.00 0.00 H new ATOM 0 HB2 ASP A 403 3.955 -6.953 -0.570 1.00 0.00 H new ATOM 0 HB3 ASP A 403 5.158 -7.072 0.699 1.00 0.00 H new ATOM 600 N TYR A 404 1.506 -7.794 1.739 1.00 0.00 N ATOM 601 CA TYR A 404 0.714 -6.987 2.758 1.00 0.00 C ATOM 602 C TYR A 404 1.237 -7.208 4.195 1.00 0.00 C ATOM 603 O TYR A 404 1.265 -8.319 4.687 1.00 0.00 O ATOM 604 CB TYR A 404 -0.752 -7.444 2.662 1.00 0.00 C ATOM 605 CG TYR A 404 -1.620 -6.532 3.508 1.00 0.00 C ATOM 606 CD1 TYR A 404 -1.488 -5.117 3.402 1.00 0.00 C ATOM 607 CD2 TYR A 404 -2.564 -7.088 4.415 1.00 0.00 C ATOM 608 CE1 TYR A 404 -2.296 -4.264 4.202 1.00 0.00 C ATOM 609 CE2 TYR A 404 -3.374 -6.232 5.213 1.00 0.00 C ATOM 610 CZ TYR A 404 -3.239 -4.822 5.107 1.00 0.00 C ATOM 611 OH TYR A 404 -4.023 -3.995 5.885 1.00 0.00 O ATOM 0 H TYR A 404 0.947 -8.267 1.029 1.00 0.00 H new ATOM 0 HA TYR A 404 0.817 -5.924 2.541 1.00 0.00 H new ATOM 0 HB2 TYR A 404 -1.084 -7.421 1.624 1.00 0.00 H new ATOM 0 HB3 TYR A 404 -0.846 -8.475 3.004 1.00 0.00 H new ATOM 0 HD1 TYR A 404 -0.773 -4.692 2.713 1.00 0.00 H new ATOM 0 HD2 TYR A 404 -2.666 -8.160 4.498 1.00 0.00 H new ATOM 0 HE1 TYR A 404 -2.193 -3.192 4.122 1.00 0.00 H new ATOM 0 HE2 TYR A 404 -4.092 -6.655 5.900 1.00 0.00 H new ATOM 0 HH TYR A 404 -3.747 -4.069 6.822 1.00 0.00 H new ATOM 621 N GLY A 405 1.674 -6.154 4.857 1.00 0.00 N ATOM 622 CA GLY A 405 2.220 -6.290 6.244 1.00 0.00 C ATOM 623 C GLY A 405 1.218 -6.995 7.170 1.00 0.00 C ATOM 624 O GLY A 405 1.581 -7.904 7.893 1.00 0.00 O ATOM 0 H GLY A 405 1.674 -5.203 4.489 1.00 0.00 H new ATOM 0 HA2 GLY A 405 3.152 -6.854 6.217 1.00 0.00 H new ATOM 0 HA3 GLY A 405 2.456 -5.303 6.643 1.00 0.00 H new ATOM 628 N GLY A 406 -0.030 -6.585 7.173 1.00 0.00 N ATOM 629 CA GLY A 406 -1.029 -7.218 8.057 1.00 0.00 C ATOM 630 C GLY A 406 -1.955 -6.110 8.578 1.00 0.00 C ATOM 631 O GLY A 406 -2.268 -5.177 7.867 1.00 0.00 O ATOM 0 H GLY A 406 -0.391 -5.830 6.590 1.00 0.00 H new ATOM 0 HA2 GLY A 406 -1.600 -7.970 7.513 1.00 0.00 H new ATOM 0 HA3 GLY A 406 -0.538 -7.728 8.886 1.00 0.00 H new ATOM 635 N VAL A 407 -2.389 -6.204 9.794 1.00 0.00 N ATOM 636 CA VAL A 407 -3.299 -5.155 10.353 1.00 0.00 C ATOM 637 C VAL A 407 -2.583 -4.344 11.448 1.00 0.00 C ATOM 638 O VAL A 407 -2.591 -4.713 12.609 1.00 0.00 O ATOM 639 CB VAL A 407 -4.493 -5.922 10.930 1.00 0.00 C ATOM 640 CG1 VAL A 407 -5.493 -4.940 11.551 1.00 0.00 C ATOM 641 CG2 VAL A 407 -5.186 -6.700 9.809 1.00 0.00 C ATOM 0 H VAL A 407 -2.157 -6.962 10.436 1.00 0.00 H new ATOM 0 HA VAL A 407 -3.611 -4.438 9.594 1.00 0.00 H new ATOM 0 HB VAL A 407 -4.138 -6.611 11.696 1.00 0.00 H new ATOM 0 HG11 VAL A 407 -6.339 -5.492 11.959 1.00 0.00 H new ATOM 0 HG12 VAL A 407 -5.006 -4.381 12.349 1.00 0.00 H new ATOM 0 HG13 VAL A 407 -5.846 -4.248 10.786 1.00 0.00 H new ATOM 0 HG21 VAL A 407 -6.036 -7.247 10.217 1.00 0.00 H new ATOM 0 HG22 VAL A 407 -5.535 -6.005 9.045 1.00 0.00 H new ATOM 0 HG23 VAL A 407 -4.482 -7.403 9.365 1.00 0.00 H new ATOM 651 N GLN A 408 -1.971 -3.237 11.086 1.00 0.00 N ATOM 652 CA GLN A 408 -1.265 -2.396 12.104 1.00 0.00 C ATOM 653 C GLN A 408 -2.046 -1.090 12.344 1.00 0.00 C ATOM 654 O GLN A 408 -1.750 -0.066 11.758 1.00 0.00 O ATOM 655 CB GLN A 408 0.109 -2.101 11.497 1.00 0.00 C ATOM 656 CG GLN A 408 1.069 -3.242 11.837 1.00 0.00 C ATOM 657 CD GLN A 408 0.696 -4.486 11.024 1.00 0.00 C ATOM 658 OE1 GLN A 408 0.190 -5.445 11.568 1.00 0.00 O ATOM 659 NE2 GLN A 408 0.928 -4.518 9.734 1.00 0.00 N ATOM 0 H GLN A 408 -1.931 -2.882 10.130 1.00 0.00 H new ATOM 0 HA GLN A 408 -1.180 -2.897 13.068 1.00 0.00 H new ATOM 0 HB2 GLN A 408 0.025 -1.991 10.416 1.00 0.00 H new ATOM 0 HB3 GLN A 408 0.495 -1.158 11.884 1.00 0.00 H new ATOM 0 HG2 GLN A 408 2.095 -2.946 11.617 1.00 0.00 H new ATOM 0 HG3 GLN A 408 1.023 -3.464 12.903 1.00 0.00 H new ATOM 0 HE21 GLN A 408 1.353 -3.714 9.272 1.00 0.00 H new ATOM 0 HE22 GLN A 408 0.683 -5.347 9.192 1.00 0.00 H new ATOM 668 N ILE A 409 -3.050 -1.117 13.207 1.00 0.00 N ATOM 669 CA ILE A 409 -3.856 0.115 13.488 1.00 0.00 C ATOM 670 C ILE A 409 -4.353 0.746 12.176 1.00 0.00 C ATOM 671 O ILE A 409 -3.945 1.831 11.806 1.00 0.00 O ATOM 672 CB ILE A 409 -2.897 1.048 14.232 1.00 0.00 C ATOM 673 CG1 ILE A 409 -2.481 0.394 15.555 1.00 0.00 C ATOM 674 CG2 ILE A 409 -3.581 2.389 14.521 1.00 0.00 C ATOM 675 CD1 ILE A 409 -1.152 -0.340 15.369 1.00 0.00 C ATOM 0 H ILE A 409 -3.340 -1.946 13.726 1.00 0.00 H new ATOM 0 HA ILE A 409 -4.749 -0.095 14.077 1.00 0.00 H new ATOM 0 HB ILE A 409 -2.018 1.225 13.612 1.00 0.00 H new ATOM 0 HG12 ILE A 409 -2.384 1.152 16.332 1.00 0.00 H new ATOM 0 HG13 ILE A 409 -3.250 -0.304 15.885 1.00 0.00 H new ATOM 0 HG21 ILE A 409 -2.889 3.044 15.050 1.00 0.00 H new ATOM 0 HG22 ILE A 409 -3.876 2.857 13.582 1.00 0.00 H new ATOM 0 HG23 ILE A 409 -4.465 2.221 15.137 1.00 0.00 H new ATOM 0 HD11 ILE A 409 -0.858 -0.804 16.310 1.00 0.00 H new ATOM 0 HD12 ILE A 409 -1.265 -1.109 14.605 1.00 0.00 H new ATOM 0 HD13 ILE A 409 -0.385 0.370 15.059 1.00 0.00 H new ATOM 687 N VAL A 410 -5.246 0.074 11.484 1.00 0.00 N ATOM 688 CA VAL A 410 -5.788 0.627 10.212 1.00 0.00 C ATOM 689 C VAL A 410 -7.313 0.748 10.342 1.00 0.00 C ATOM 690 O VAL A 410 -8.057 0.053 9.674 1.00 0.00 O ATOM 691 CB VAL A 410 -5.411 -0.397 9.137 1.00 0.00 C ATOM 692 CG1 VAL A 410 -5.924 0.074 7.774 1.00 0.00 C ATOM 693 CG2 VAL A 410 -3.885 -0.545 9.082 1.00 0.00 C ATOM 0 H VAL A 410 -5.620 -0.836 11.752 1.00 0.00 H new ATOM 0 HA VAL A 410 -5.394 1.614 9.969 1.00 0.00 H new ATOM 0 HB VAL A 410 -5.863 -1.358 9.382 1.00 0.00 H new ATOM 0 HG11 VAL A 410 -5.654 -0.657 7.011 1.00 0.00 H new ATOM 0 HG12 VAL A 410 -7.008 0.178 7.809 1.00 0.00 H new ATOM 0 HG13 VAL A 410 -5.475 1.037 7.529 1.00 0.00 H new ATOM 0 HG21 VAL A 410 -3.617 -1.274 8.317 1.00 0.00 H new ATOM 0 HG22 VAL A 410 -3.435 0.418 8.840 1.00 0.00 H new ATOM 0 HG23 VAL A 410 -3.517 -0.884 10.050 1.00 0.00 H new ATOM 703 N GLY A 411 -7.784 1.608 11.221 1.00 0.00 N ATOM 704 CA GLY A 411 -9.257 1.747 11.415 1.00 0.00 C ATOM 705 C GLY A 411 -9.673 0.834 12.572 1.00 0.00 C ATOM 706 O GLY A 411 -10.569 0.023 12.441 1.00 0.00 O ATOM 0 H GLY A 411 -7.210 2.214 11.807 1.00 0.00 H new ATOM 0 HA2 GLY A 411 -9.516 2.783 11.635 1.00 0.00 H new ATOM 0 HA3 GLY A 411 -9.788 1.473 10.504 1.00 0.00 H new ATOM 710 N GLN A 412 -9.006 0.948 13.707 1.00 0.00 N ATOM 711 CA GLN A 412 -9.338 0.069 14.892 1.00 0.00 C ATOM 712 C GLN A 412 -10.859 0.019 15.145 1.00 0.00 C ATOM 713 O GLN A 412 -11.460 -1.038 15.095 1.00 0.00 O ATOM 714 CB GLN A 412 -8.633 0.694 16.106 1.00 0.00 C ATOM 715 CG GLN A 412 -7.116 0.549 15.951 1.00 0.00 C ATOM 716 CD GLN A 412 -6.419 1.807 16.489 1.00 0.00 C ATOM 717 OE1 GLN A 412 -5.584 1.717 17.366 1.00 0.00 O ATOM 718 NE2 GLN A 412 -6.725 2.986 16.002 1.00 0.00 N ATOM 0 H GLN A 412 -8.247 1.611 13.865 1.00 0.00 H new ATOM 0 HA GLN A 412 -9.009 -0.954 14.710 1.00 0.00 H new ATOM 0 HB2 GLN A 412 -8.901 1.747 16.192 1.00 0.00 H new ATOM 0 HB3 GLN A 412 -8.963 0.205 17.022 1.00 0.00 H new ATOM 0 HG2 GLN A 412 -6.768 -0.331 16.492 1.00 0.00 H new ATOM 0 HG3 GLN A 412 -6.860 0.400 14.902 1.00 0.00 H new ATOM 0 HE21 GLN A 412 -7.426 3.067 15.265 1.00 0.00 H new ATOM 0 HE22 GLN A 412 -6.262 3.821 16.360 1.00 0.00 H new ATOM 727 N ASP A 413 -11.482 1.148 15.420 1.00 0.00 N ATOM 728 CA ASP A 413 -12.956 1.143 15.675 1.00 0.00 C ATOM 729 C ASP A 413 -13.601 2.423 15.119 1.00 0.00 C ATOM 730 O ASP A 413 -14.446 3.020 15.759 1.00 0.00 O ATOM 731 CB ASP A 413 -13.094 1.091 17.198 1.00 0.00 C ATOM 732 CG ASP A 413 -13.183 -0.366 17.653 1.00 0.00 C ATOM 733 OD1 ASP A 413 -13.933 -1.111 17.045 1.00 0.00 O ATOM 734 OD2 ASP A 413 -12.498 -0.712 18.602 1.00 0.00 O ATOM 0 H ASP A 413 -11.034 2.062 15.477 1.00 0.00 H new ATOM 0 HA ASP A 413 -13.454 0.303 15.190 1.00 0.00 H new ATOM 0 HB2 ASP A 413 -12.240 1.578 17.668 1.00 0.00 H new ATOM 0 HB3 ASP A 413 -13.984 1.636 17.512 1.00 0.00 H new ATOM 739 N GLU A 414 -13.216 2.850 13.933 1.00 0.00 N ATOM 740 CA GLU A 414 -13.818 4.089 13.353 1.00 0.00 C ATOM 741 C GLU A 414 -14.422 3.791 11.973 1.00 0.00 C ATOM 742 O GLU A 414 -14.312 4.591 11.062 1.00 0.00 O ATOM 743 CB GLU A 414 -12.659 5.078 13.230 1.00 0.00 C ATOM 744 CG GLU A 414 -12.525 5.870 14.531 1.00 0.00 C ATOM 745 CD GLU A 414 -11.886 7.229 14.238 1.00 0.00 C ATOM 746 OE1 GLU A 414 -10.918 7.260 13.496 1.00 0.00 O ATOM 747 OE2 GLU A 414 -12.376 8.216 14.761 1.00 0.00 O ATOM 0 H GLU A 414 -12.515 2.393 13.349 1.00 0.00 H new ATOM 0 HA GLU A 414 -14.623 4.483 13.973 1.00 0.00 H new ATOM 0 HB2 GLU A 414 -11.732 4.544 13.019 1.00 0.00 H new ATOM 0 HB3 GLU A 414 -12.833 5.757 12.395 1.00 0.00 H new ATOM 0 HG2 GLU A 414 -13.505 6.008 14.988 1.00 0.00 H new ATOM 0 HG3 GLU A 414 -11.916 5.316 15.245 1.00 0.00 H new ATOM 754 N THR A 415 -15.060 2.651 11.808 1.00 0.00 N ATOM 755 CA THR A 415 -15.665 2.316 10.489 1.00 0.00 C ATOM 756 C THR A 415 -17.075 1.743 10.694 1.00 0.00 C ATOM 757 O THR A 415 -17.354 0.615 10.328 1.00 0.00 O ATOM 758 CB THR A 415 -14.731 1.268 9.871 1.00 0.00 C ATOM 759 OG1 THR A 415 -13.886 0.720 10.873 1.00 0.00 O ATOM 760 CG2 THR A 415 -13.879 1.925 8.785 1.00 0.00 C ATOM 0 H THR A 415 -15.184 1.944 12.533 1.00 0.00 H new ATOM 0 HA THR A 415 -15.767 3.188 9.843 1.00 0.00 H new ATOM 0 HB THR A 415 -15.328 0.468 9.433 1.00 0.00 H new ATOM 0 HG1 THR A 415 -13.294 0.050 10.471 1.00 0.00 H new ATOM 0 HG21 THR A 415 -13.214 1.182 8.345 1.00 0.00 H new ATOM 0 HG22 THR A 415 -14.528 2.335 8.011 1.00 0.00 H new ATOM 0 HG23 THR A 415 -13.286 2.727 9.224 1.00 0.00 H new ATOM 768 N ASP A 416 -17.970 2.510 11.280 1.00 0.00 N ATOM 769 CA ASP A 416 -19.358 2.007 11.507 1.00 0.00 C ATOM 770 C ASP A 416 -20.384 3.097 11.163 1.00 0.00 C ATOM 771 O ASP A 416 -21.370 3.262 11.857 1.00 0.00 O ATOM 772 CB ASP A 416 -19.416 1.667 12.997 1.00 0.00 C ATOM 773 CG ASP A 416 -18.625 0.383 13.260 1.00 0.00 C ATOM 774 OD1 ASP A 416 -18.827 -0.573 12.529 1.00 0.00 O ATOM 775 OD2 ASP A 416 -17.832 0.379 14.187 1.00 0.00 O ATOM 0 H ASP A 416 -17.795 3.460 11.608 1.00 0.00 H new ATOM 0 HA ASP A 416 -19.591 1.145 10.881 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -19.003 2.487 13.584 1.00 0.00 H new ATOM 0 HB3 ASP A 416 -20.452 1.539 13.312 1.00 0.00 H new ATOM 780 N ASP A 417 -20.166 3.844 10.100 1.00 0.00 N ATOM 781 CA ASP A 417 -21.137 4.917 9.725 1.00 0.00 C ATOM 782 C ASP A 417 -21.252 5.023 8.202 1.00 0.00 C ATOM 783 O ASP A 417 -22.257 4.577 7.671 1.00 0.00 O ATOM 784 CB ASP A 417 -20.550 6.202 10.309 1.00 0.00 C ATOM 785 CG ASP A 417 -20.694 6.183 11.833 1.00 0.00 C ATOM 786 OD1 ASP A 417 -21.804 5.990 12.301 1.00 0.00 O ATOM 787 OD2 ASP A 417 -19.691 6.361 12.505 1.00 0.00 O ATOM 0 H ASP A 417 -19.360 3.754 9.482 1.00 0.00 H new ATOM 0 HA ASP A 417 -22.139 4.716 10.103 1.00 0.00 H new ATOM 0 HB2 ASP A 417 -19.499 6.292 10.034 1.00 0.00 H new ATOM 0 HB3 ASP A 417 -21.064 7.070 9.895 1.00 0.00 H new TER 792 ASP A 417 HETATM 793 ZN ZN A1001 -1.054 3.256 0.402 1.00 0.00 ZN HETATM 794 O5' ADN A1002 -7.340 11.268 8.668 1.00 0.00 O HETATM 795 C5' ADN A1002 -6.232 12.136 8.887 1.00 0.00 C HETATM 796 C4' ADN A1002 -5.218 11.978 7.780 1.00 0.00 C HETATM 797 O4' ADN A1002 -4.854 10.576 7.667 1.00 0.00 O HETATM 798 C3' ADN A1002 -5.709 12.369 6.392 1.00 0.00 C HETATM 799 O3' ADN A1002 -5.511 13.749 6.113 1.00 0.00 O HETATM 800 C2' ADN A1002 -4.854 11.494 5.485 1.00 0.00 C HETATM 801 O2' ADN A1002 -3.551 12.039 5.355 1.00 0.00 O HETATM 802 C1' ADN A1002 -4.791 10.206 6.302 1.00 0.00 C HETATM 803 N9 ADN A1002 -5.854 9.237 6.015 1.00 0.00 N HETATM 804 C8 ADN A1002 -7.058 9.077 6.665 1.00 0.00 C HETATM 805 N7 ADN A1002 -7.808 8.118 6.178 1.00 0.00 N HETATM 806 C5 ADN A1002 -7.053 7.605 5.136 1.00 0.00 C HETATM 807 C6 ADN A1002 -7.280 6.545 4.196 1.00 0.00 C HETATM 808 N6 ADN A1002 -8.387 5.802 4.179 1.00 0.00 N HETATM 809 N1 ADN A1002 -6.303 6.284 3.266 1.00 0.00 N HETATM 810 C2 ADN A1002 -5.170 7.038 3.278 1.00 0.00 C HETATM 811 N3 ADN A1002 -4.849 8.060 4.114 1.00 0.00 N HETATM 812 C4 ADN A1002 -5.839 8.287 5.022 1.00 0.00 C HETATM 0 HO5' ADN A1002 -7.253 10.476 9.239 1.00 0.00 H new HETATM 0 HO3' ADN A1002 -4.647 13.872 5.667 1.00 0.00 H new HETATM 0 HN62 ADN A1002 -8.493 5.061 3.486 1.00 0.00 H new HETATM 0 HN61 ADN A1002 -9.128 5.975 4.859 1.00 0.00 H new HETATM 0 H5'2 ADN A1002 -6.574 13.170 8.932 1.00 0.00 H new HETATM 0 H5'1 ADN A1002 -5.770 11.912 9.848 1.00 0.00 H new HETATM 0 H8 ADN A1002 -7.361 9.694 7.511 1.00 0.00 H new HETATM 0 H4' ADN A1002 -4.400 12.642 8.061 1.00 0.00 H new HETATM 0 H3' ADN A1002 -6.782 12.223 6.267 1.00 0.00 H new HETATM 0 H2' ADN A1002 -5.242 11.382 4.473 1.00 0.00 H new HETATM 0 H2 ADN A1002 -4.426 6.791 2.521 1.00 0.00 H new HETATM 0 H1' ADN A1002 -3.864 9.698 6.035 1.00 0.00 H new HETATM 825 O5' RIB A1003 -1.981 15.170 1.866 1.00 0.00 O HETATM 826 C5' RIB A1003 -1.399 13.891 1.626 1.00 0.00 C HETATM 827 C4' RIB A1003 -1.389 13.075 2.895 1.00 0.00 C HETATM 828 O4' RIB A1003 -2.667 13.217 3.570 1.00 0.00 O HETATM 829 C3' RIB A1003 -1.189 11.577 2.713 1.00 0.00 C HETATM 830 O3' RIB A1003 0.191 11.230 2.739 1.00 0.00 O HETATM 831 C2' RIB A1003 -1.945 10.984 3.896 1.00 0.00 C HETATM 832 O2' RIB A1003 -1.161 11.047 5.070 1.00 0.00 O HETATM 833 C1' RIB A1003 -3.121 11.952 4.010 1.00 0.00 C HETATM 0 HO5' RIB A1003 -2.540 15.129 2.670 1.00 0.00 H new HETATM 0 HO3' RIB A1003 0.468 11.060 3.663 1.00 0.00 H new HETATM 0 HO2' RIB A1003 -1.740 11.221 5.841 1.00 0.00 H new HETATM 0 H5'2 RIB A1003 -1.961 13.367 0.853 1.00 0.00 H new HETATM 0 H5'1 RIB A1003 -0.381 14.011 1.254 1.00 0.00 H new HETATM 0 H4' RIB A1003 -0.538 13.464 3.454 1.00 0.00 H new HETATM 0 H3' RIB A1003 -1.549 11.208 1.752 1.00 0.00 H new HETATM 0 H2' RIB A1003 -2.221 9.937 3.769 1.00 0.00 H new