USER MOD reduce.3.24.130724 H: found=0, std=0, add=392, rem=0, adj=18 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 -131:sc= -0.581 (180deg=-1.2) USER MOD Set 1.2: A1003 RIB O2' : rot 136:sc= 0.446 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= 0.079 X(o=0.079,f=0) USER MOD Single : A 373 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 375 LYS NZ :NH3+ -162:sc= -0.0176 (180deg=-0.168) 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 128:sc= -0.0303 USER MOD Single : A 384 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 386 TYR OH : rot 120:sc= -1.1 USER MOD Single : A 388 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 389 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 394 GLN : amide:sc= -0.428 K(o=-0.43,f=-2.7!) USER MOD Single : A 395 HIS : no HD1:sc= -1.72 K(o=-1.7,f=-3!) USER MOD Single : A 397 SER OG : rot 169:sc= -4.65! USER MOD Single : A 402 SER OG : rot 180:sc= 0 USER MOD Single : A 404 TYR OH : rot 180:sc= 0 USER MOD Single : A 408 GLN : amide:sc= 0.567 K(o=0.57,f=-2.1!) USER MOD Single : A 412 GLN :FLIP amide:sc= -4! C(o=-4.5!,f=-4!) USER MOD Single : A 415 THR OG1 : rot 180:sc= 0.0164 USER MOD Single : A1002 ADN O3' : rot 90:sc= 0.13 USER MOD Single : A1002 ADN O5' : rot 180:sc= 0 USER MOD Single : A1003 RIB O3' : rot 92:sc= 0.104 USER MOD Single : A1003 RIB O5' : rot -31:sc= 0.0602 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 363 20.644 2.620 -1.392 1.00 0.00 N ATOM 2 CA GLY A 363 20.227 2.215 -0.020 1.00 0.00 C ATOM 3 C GLY A 363 19.199 1.078 -0.110 1.00 0.00 C ATOM 4 O GLY A 363 18.014 1.316 -0.001 1.00 0.00 O ATOM 0 HA2 GLY A 363 21.095 1.890 0.554 1.00 0.00 H new ATOM 0 HA3 GLY A 363 19.797 3.067 0.507 1.00 0.00 H new ATOM 10 N PRO A 364 19.681 -0.132 -0.307 1.00 0.00 N ATOM 11 CA PRO A 364 18.766 -1.297 -0.409 1.00 0.00 C ATOM 12 C PRO A 364 18.189 -1.647 0.972 1.00 0.00 C ATOM 13 O PRO A 364 18.658 -1.161 1.983 1.00 0.00 O ATOM 14 CB PRO A 364 19.662 -2.418 -0.924 1.00 0.00 C ATOM 15 CG PRO A 364 21.044 -2.037 -0.502 1.00 0.00 C ATOM 16 CD PRO A 364 21.092 -0.532 -0.454 1.00 0.00 C ATOM 0 HA PRO A 364 17.911 -1.113 -1.059 1.00 0.00 H new ATOM 0 HB2 PRO A 364 19.372 -3.380 -0.502 1.00 0.00 H new ATOM 0 HB3 PRO A 364 19.593 -2.512 -2.008 1.00 0.00 H new ATOM 0 HG2 PRO A 364 21.280 -2.461 0.474 1.00 0.00 H new ATOM 0 HG3 PRO A 364 21.782 -2.424 -1.205 1.00 0.00 H new ATOM 0 HD2 PRO A 364 21.696 -0.179 0.382 1.00 0.00 H new ATOM 0 HD3 PRO A 364 21.531 -0.118 -1.362 1.00 0.00 H new ATOM 24 N LEU A 365 17.173 -2.490 1.029 1.00 0.00 N ATOM 25 CA LEU A 365 16.570 -2.871 2.349 1.00 0.00 C ATOM 26 C LEU A 365 16.180 -1.617 3.154 1.00 0.00 C ATOM 27 O LEU A 365 16.883 -1.219 4.065 1.00 0.00 O ATOM 28 CB LEU A 365 17.660 -3.670 3.080 1.00 0.00 C ATOM 29 CG LEU A 365 17.045 -4.865 3.825 1.00 0.00 C ATOM 30 CD1 LEU A 365 16.012 -4.374 4.844 1.00 0.00 C ATOM 31 CD2 LEU A 365 16.367 -5.807 2.824 1.00 0.00 C ATOM 0 H LEU A 365 16.739 -2.928 0.216 1.00 0.00 H new ATOM 0 HA LEU A 365 15.658 -3.454 2.223 1.00 0.00 H new ATOM 0 HB2 LEU A 365 18.402 -4.023 2.364 1.00 0.00 H new ATOM 0 HB3 LEU A 365 18.181 -3.023 3.786 1.00 0.00 H new ATOM 0 HG LEU A 365 17.838 -5.400 4.348 1.00 0.00 H new ATOM 0 HD11 LEU A 365 15.582 -5.228 5.367 1.00 0.00 H new ATOM 0 HD12 LEU A 365 16.496 -3.714 5.564 1.00 0.00 H new ATOM 0 HD13 LEU A 365 15.222 -3.829 4.327 1.00 0.00 H new ATOM 0 HD21 LEU A 365 15.933 -6.653 3.357 1.00 0.00 H new ATOM 0 HD22 LEU A 365 15.581 -5.270 2.294 1.00 0.00 H new ATOM 0 HD23 LEU A 365 17.105 -6.170 2.108 1.00 0.00 H new ATOM 43 N GLY A 366 15.067 -0.991 2.829 1.00 0.00 N ATOM 44 CA GLY A 366 14.646 0.228 3.580 1.00 0.00 C ATOM 45 C GLY A 366 14.972 1.481 2.754 1.00 0.00 C ATOM 46 O GLY A 366 16.118 1.736 2.439 1.00 0.00 O ATOM 0 H GLY A 366 14.438 -1.276 2.078 1.00 0.00 H new ATOM 0 HA2 GLY A 366 13.577 0.187 3.790 1.00 0.00 H new ATOM 0 HA3 GLY A 366 15.158 0.270 4.541 1.00 0.00 H new ATOM 50 N SER A 367 13.974 2.272 2.401 1.00 0.00 N ATOM 51 CA SER A 367 14.227 3.513 1.594 1.00 0.00 C ATOM 52 C SER A 367 14.998 3.179 0.305 1.00 0.00 C ATOM 53 O SER A 367 16.205 3.023 0.326 1.00 0.00 O ATOM 54 CB SER A 367 15.061 4.427 2.497 1.00 0.00 C ATOM 55 OG SER A 367 15.051 5.746 1.967 1.00 0.00 O ATOM 0 H SER A 367 12.996 2.108 2.639 1.00 0.00 H new ATOM 0 HA SER A 367 13.295 3.988 1.287 1.00 0.00 H new ATOM 0 HB2 SER A 367 14.656 4.426 3.509 1.00 0.00 H new ATOM 0 HB3 SER A 367 16.084 4.057 2.563 1.00 0.00 H new ATOM 0 HG SER A 367 15.583 6.334 2.543 1.00 0.00 H new ATOM 61 N GLY A 368 14.316 3.074 -0.818 1.00 0.00 N ATOM 62 CA GLY A 368 15.027 2.756 -2.096 1.00 0.00 C ATOM 63 C GLY A 368 14.082 2.019 -3.059 1.00 0.00 C ATOM 64 O GLY A 368 13.039 2.533 -3.418 1.00 0.00 O ATOM 0 H GLY A 368 13.306 3.194 -0.900 1.00 0.00 H new ATOM 0 HA2 GLY A 368 15.386 3.675 -2.559 1.00 0.00 H new ATOM 0 HA3 GLY A 368 15.902 2.139 -1.890 1.00 0.00 H new ATOM 68 N SER A 369 14.436 0.822 -3.484 1.00 0.00 N ATOM 69 CA SER A 369 13.550 0.070 -4.422 1.00 0.00 C ATOM 70 C SER A 369 13.039 -1.217 -3.760 1.00 0.00 C ATOM 71 O SER A 369 13.716 -2.228 -3.764 1.00 0.00 O ATOM 72 CB SER A 369 14.432 -0.266 -5.624 1.00 0.00 C ATOM 73 OG SER A 369 13.607 -0.594 -6.733 1.00 0.00 O ATOM 0 H SER A 369 15.296 0.341 -3.220 1.00 0.00 H new ATOM 0 HA SER A 369 12.673 0.651 -4.708 1.00 0.00 H new ATOM 0 HB2 SER A 369 15.071 0.582 -5.869 1.00 0.00 H new ATOM 0 HB3 SER A 369 15.090 -1.102 -5.385 1.00 0.00 H new ATOM 0 HG SER A 369 14.169 -0.809 -7.507 1.00 0.00 H new ATOM 79 N GLU A 370 11.849 -1.194 -3.196 1.00 0.00 N ATOM 80 CA GLU A 370 11.308 -2.423 -2.544 1.00 0.00 C ATOM 81 C GLU A 370 9.796 -2.531 -2.799 1.00 0.00 C ATOM 82 O GLU A 370 9.001 -2.413 -1.885 1.00 0.00 O ATOM 83 CB GLU A 370 11.597 -2.242 -1.052 1.00 0.00 C ATOM 84 CG GLU A 370 13.092 -2.446 -0.790 1.00 0.00 C ATOM 85 CD GLU A 370 13.284 -3.140 0.559 1.00 0.00 C ATOM 86 OE1 GLU A 370 12.767 -2.635 1.542 1.00 0.00 O ATOM 87 OE2 GLU A 370 13.945 -4.165 0.588 1.00 0.00 O ATOM 0 H GLU A 370 11.237 -0.379 -3.162 1.00 0.00 H new ATOM 0 HA GLU A 370 11.761 -3.335 -2.934 1.00 0.00 H new ATOM 0 HB2 GLU A 370 11.294 -1.245 -0.731 1.00 0.00 H new ATOM 0 HB3 GLU A 370 11.015 -2.956 -0.469 1.00 0.00 H new ATOM 0 HG2 GLU A 370 13.533 -3.047 -1.586 1.00 0.00 H new ATOM 0 HG3 GLU A 370 13.607 -1.485 -0.793 1.00 0.00 H new ATOM 94 N GLY A 371 9.388 -2.753 -4.031 1.00 0.00 N ATOM 95 CA GLY A 371 7.929 -2.865 -4.328 1.00 0.00 C ATOM 96 C GLY A 371 7.700 -3.996 -5.338 1.00 0.00 C ATOM 97 O GLY A 371 6.912 -3.860 -6.257 1.00 0.00 O ATOM 0 H GLY A 371 10.004 -2.860 -4.837 1.00 0.00 H new ATOM 0 HA2 GLY A 371 7.374 -3.064 -3.411 1.00 0.00 H new ATOM 0 HA3 GLY A 371 7.555 -1.923 -4.729 1.00 0.00 H new ATOM 101 N ASN A 372 8.383 -5.113 -5.182 1.00 0.00 N ATOM 102 CA ASN A 372 8.199 -6.244 -6.142 1.00 0.00 C ATOM 103 C ASN A 372 8.372 -7.593 -5.420 1.00 0.00 C ATOM 104 O ASN A 372 7.471 -8.412 -5.413 1.00 0.00 O ATOM 105 CB ASN A 372 9.297 -6.049 -7.200 1.00 0.00 C ATOM 106 CG ASN A 372 8.661 -5.925 -8.592 1.00 0.00 C ATOM 107 OD1 ASN A 372 8.756 -6.833 -9.394 1.00 0.00 O ATOM 108 ND2 ASN A 372 8.012 -4.834 -8.920 1.00 0.00 N ATOM 0 H ASN A 372 9.055 -5.284 -4.434 1.00 0.00 H new ATOM 0 HA ASN A 372 7.203 -6.252 -6.585 1.00 0.00 H new ATOM 0 HB2 ASN A 372 9.878 -5.155 -6.974 1.00 0.00 H new ATOM 0 HB3 ASN A 372 9.988 -6.891 -7.180 1.00 0.00 H new ATOM 0 HD21 ASN A 372 7.590 -4.750 -9.845 1.00 0.00 H new ATOM 0 HD22 ASN A 372 7.929 -4.069 -8.250 1.00 0.00 H new ATOM 115 N LYS A 373 9.518 -7.834 -4.814 1.00 0.00 N ATOM 116 CA LYS A 373 9.730 -9.131 -4.103 1.00 0.00 C ATOM 117 C LYS A 373 10.255 -8.884 -2.678 1.00 0.00 C ATOM 118 O LYS A 373 11.298 -9.386 -2.306 1.00 0.00 O ATOM 119 CB LYS A 373 10.768 -9.887 -4.946 1.00 0.00 C ATOM 120 CG LYS A 373 12.080 -9.087 -5.022 1.00 0.00 C ATOM 121 CD LYS A 373 12.200 -8.412 -6.390 1.00 0.00 C ATOM 122 CE LYS A 373 13.673 -8.339 -6.797 1.00 0.00 C ATOM 123 NZ LYS A 373 13.919 -9.582 -7.581 1.00 0.00 N ATOM 0 H LYS A 373 10.307 -7.189 -4.784 1.00 0.00 H new ATOM 0 HA LYS A 373 8.805 -9.698 -3.999 1.00 0.00 H new ATOM 0 HB2 LYS A 373 10.957 -10.867 -4.509 1.00 0.00 H new ATOM 0 HB3 LYS A 373 10.378 -10.055 -5.950 1.00 0.00 H new ATOM 0 HG2 LYS A 373 12.104 -8.336 -4.233 1.00 0.00 H new ATOM 0 HG3 LYS A 373 12.930 -9.749 -4.858 1.00 0.00 H new ATOM 0 HD2 LYS A 373 11.634 -8.972 -7.134 1.00 0.00 H new ATOM 0 HD3 LYS A 373 11.772 -7.410 -6.351 1.00 0.00 H new ATOM 0 HE2 LYS A 373 13.874 -7.450 -7.394 1.00 0.00 H new ATOM 0 HE3 LYS A 373 14.322 -8.289 -5.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 373 14.910 -9.604 -7.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 373 13.726 -10.412 -6.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 373 13.292 -9.599 -8.411 1.00 0.00 H new ATOM 137 N VAL A 374 9.546 -8.113 -1.879 1.00 0.00 N ATOM 138 CA VAL A 374 10.019 -7.843 -0.487 1.00 0.00 C ATOM 139 C VAL A 374 8.818 -7.619 0.447 1.00 0.00 C ATOM 140 O VAL A 374 7.730 -7.316 -0.007 1.00 0.00 O ATOM 141 CB VAL A 374 10.861 -6.564 -0.593 1.00 0.00 C ATOM 142 CG1 VAL A 374 11.381 -6.167 0.791 1.00 0.00 C ATOM 143 CG2 VAL A 374 12.050 -6.804 -1.527 1.00 0.00 C ATOM 0 H VAL A 374 8.666 -7.664 -2.133 1.00 0.00 H new ATOM 0 HA VAL A 374 10.591 -8.675 -0.077 1.00 0.00 H new ATOM 0 HB VAL A 374 10.238 -5.763 -0.991 1.00 0.00 H new ATOM 0 HG11 VAL A 374 11.978 -5.259 0.709 1.00 0.00 H new ATOM 0 HG12 VAL A 374 10.538 -5.988 1.459 1.00 0.00 H new ATOM 0 HG13 VAL A 374 11.998 -6.971 1.192 1.00 0.00 H new ATOM 0 HG21 VAL A 374 12.645 -5.894 -1.600 1.00 0.00 H new ATOM 0 HG22 VAL A 374 12.667 -7.610 -1.131 1.00 0.00 H new ATOM 0 HG23 VAL A 374 11.685 -7.079 -2.517 1.00 0.00 H new ATOM 153 N LYS A 375 9.006 -7.748 1.745 1.00 0.00 N ATOM 154 CA LYS A 375 7.853 -7.515 2.680 1.00 0.00 C ATOM 155 C LYS A 375 7.725 -6.010 2.959 1.00 0.00 C ATOM 156 O LYS A 375 8.233 -5.508 3.947 1.00 0.00 O ATOM 157 CB LYS A 375 8.151 -8.275 3.976 1.00 0.00 C ATOM 158 CG LYS A 375 6.849 -8.450 4.761 1.00 0.00 C ATOM 159 CD LYS A 375 7.167 -8.690 6.236 1.00 0.00 C ATOM 160 CE LYS A 375 5.862 -8.842 7.025 1.00 0.00 C ATOM 161 NZ LYS A 375 5.369 -7.450 7.226 1.00 0.00 N ATOM 0 H LYS A 375 9.889 -7.999 2.189 1.00 0.00 H new ATOM 0 HA LYS A 375 6.916 -7.865 2.247 1.00 0.00 H new ATOM 0 HB2 LYS A 375 8.588 -9.248 3.750 1.00 0.00 H new ATOM 0 HB3 LYS A 375 8.881 -7.729 4.574 1.00 0.00 H new ATOM 0 HG2 LYS A 375 6.226 -7.562 4.653 1.00 0.00 H new ATOM 0 HG3 LYS A 375 6.281 -9.289 4.360 1.00 0.00 H new ATOM 0 HD2 LYS A 375 7.777 -9.587 6.346 1.00 0.00 H new ATOM 0 HD3 LYS A 375 7.749 -7.858 6.633 1.00 0.00 H new ATOM 0 HE2 LYS A 375 5.136 -9.442 6.476 1.00 0.00 H new ATOM 0 HE3 LYS A 375 6.033 -9.342 7.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 375 4.670 -7.437 7.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 375 6.168 -6.831 7.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 375 4.925 -7.109 6.350 1.00 0.00 H new ATOM 175 N ARG A 376 7.039 -5.296 2.093 1.00 0.00 N ATOM 176 CA ARG A 376 6.874 -3.833 2.323 1.00 0.00 C ATOM 177 C ARG A 376 5.966 -3.621 3.533 1.00 0.00 C ATOM 178 O ARG A 376 5.141 -4.458 3.848 1.00 0.00 O ATOM 179 CB ARG A 376 6.268 -3.211 1.052 1.00 0.00 C ATOM 180 CG ARG A 376 7.322 -2.360 0.334 1.00 0.00 C ATOM 181 CD ARG A 376 7.777 -1.192 1.237 1.00 0.00 C ATOM 182 NE ARG A 376 8.932 -0.527 0.531 1.00 0.00 N ATOM 183 CZ ARG A 376 9.838 0.172 1.198 1.00 0.00 C ATOM 184 NH1 ARG A 376 9.788 0.303 2.504 1.00 0.00 N ATOM 185 NH2 ARG A 376 10.807 0.760 0.544 1.00 0.00 N ATOM 0 H ARG A 376 6.595 -5.662 1.251 1.00 0.00 H new ATOM 0 HA ARG A 376 7.831 -3.354 2.528 1.00 0.00 H new ATOM 0 HB2 ARG A 376 5.909 -3.997 0.388 1.00 0.00 H new ATOM 0 HB3 ARG A 376 5.407 -2.596 1.313 1.00 0.00 H new ATOM 0 HG2 ARG A 376 8.179 -2.979 0.069 1.00 0.00 H new ATOM 0 HG3 ARG A 376 6.911 -1.970 -0.597 1.00 0.00 H new ATOM 0 HD2 ARG A 376 6.962 -0.486 1.397 1.00 0.00 H new ATOM 0 HD3 ARG A 376 8.081 -1.556 2.218 1.00 0.00 H new ATOM 0 HE ARG A 376 9.017 -0.617 -0.481 1.00 0.00 H new ATOM 0 HH11 ARG A 376 9.037 -0.140 3.033 1.00 0.00 H new ATOM 0 HH12 ARG A 376 10.501 0.848 2.990 1.00 0.00 H new ATOM 0 HH21 ARG A 376 10.860 0.678 -0.471 1.00 0.00 H new ATOM 0 HH22 ARG A 376 11.509 1.300 1.050 1.00 0.00 H new ATOM 199 N THR A 377 6.119 -2.517 4.221 1.00 0.00 N ATOM 200 CA THR A 377 5.258 -2.271 5.420 1.00 0.00 C ATOM 201 C THR A 377 3.828 -1.989 4.954 1.00 0.00 C ATOM 202 O THR A 377 3.633 -1.357 3.941 1.00 0.00 O ATOM 203 CB THR A 377 5.883 -1.058 6.142 1.00 0.00 C ATOM 204 OG1 THR A 377 5.351 -0.962 7.455 1.00 0.00 O ATOM 205 CG2 THR A 377 5.606 0.248 5.381 1.00 0.00 C ATOM 0 H THR A 377 6.794 -1.783 4.008 1.00 0.00 H new ATOM 0 HA THR A 377 5.210 -3.125 6.096 1.00 0.00 H new ATOM 0 HB THR A 377 6.962 -1.206 6.185 1.00 0.00 H new ATOM 0 HG1 THR A 377 5.749 -0.193 7.914 1.00 0.00 H new ATOM 0 HG21 THR A 377 6.059 1.083 5.915 1.00 0.00 H new ATOM 0 HG22 THR A 377 6.032 0.183 4.380 1.00 0.00 H new ATOM 0 HG23 THR A 377 4.530 0.405 5.308 1.00 0.00 H new ATOM 213 N SER A 378 2.823 -2.425 5.687 1.00 0.00 N ATOM 214 CA SER A 378 1.412 -2.125 5.245 1.00 0.00 C ATOM 215 C SER A 378 1.281 -0.605 5.103 1.00 0.00 C ATOM 216 O SER A 378 2.054 0.124 5.698 1.00 0.00 O ATOM 217 CB SER A 378 0.459 -2.669 6.330 1.00 0.00 C ATOM 218 OG SER A 378 -0.502 -1.677 6.671 1.00 0.00 O ATOM 0 H SER A 378 2.911 -2.962 6.550 1.00 0.00 H new ATOM 0 HA SER A 378 1.167 -2.591 4.290 1.00 0.00 H new ATOM 0 HB2 SER A 378 -0.044 -3.566 5.968 1.00 0.00 H new ATOM 0 HB3 SER A 378 1.027 -2.957 7.215 1.00 0.00 H new ATOM 0 HG SER A 378 -1.105 -2.028 7.359 1.00 0.00 H new ATOM 224 N CYS A 379 0.333 -0.104 4.353 1.00 0.00 N ATOM 225 CA CYS A 379 0.204 1.393 4.226 1.00 0.00 C ATOM 226 C CYS A 379 -0.498 1.979 5.468 1.00 0.00 C ATOM 227 O CYS A 379 -1.207 1.285 6.173 1.00 0.00 O ATOM 228 CB CYS A 379 -0.650 1.625 2.966 1.00 0.00 C ATOM 229 SG CYS A 379 -0.778 3.388 2.602 1.00 0.00 S ATOM 0 H CYS A 379 -0.350 -0.650 3.828 1.00 0.00 H new ATOM 0 HA CYS A 379 1.177 1.879 4.151 1.00 0.00 H new ATOM 0 HB2 CYS A 379 -0.206 1.104 2.118 1.00 0.00 H new ATOM 0 HB3 CYS A 379 -1.645 1.205 3.112 1.00 0.00 H new ATOM 234 N MET A 380 -0.299 3.255 5.743 1.00 0.00 N ATOM 235 CA MET A 380 -0.952 3.895 6.949 1.00 0.00 C ATOM 236 C MET A 380 -2.458 3.581 7.032 1.00 0.00 C ATOM 237 O MET A 380 -3.007 3.530 8.117 1.00 0.00 O ATOM 238 CB MET A 380 -0.770 5.412 6.780 1.00 0.00 C ATOM 239 CG MET A 380 0.710 5.759 6.910 1.00 0.00 C ATOM 240 SD MET A 380 0.881 7.500 7.372 1.00 0.00 S ATOM 241 CE MET A 380 0.166 8.198 5.864 1.00 0.00 C ATOM 0 H MET A 380 0.285 3.881 5.188 1.00 0.00 H new ATOM 0 HA MET A 380 -0.495 3.510 7.861 1.00 0.00 H new ATOM 0 HB2 MET A 380 -1.146 5.729 5.807 1.00 0.00 H new ATOM 0 HB3 MET A 380 -1.348 5.946 7.534 1.00 0.00 H new ATOM 0 HG2 MET A 380 1.179 5.124 7.662 1.00 0.00 H new ATOM 0 HG3 MET A 380 1.223 5.569 5.967 1.00 0.00 H new ATOM 0 HE1 MET A 380 0.822 8.977 5.477 1.00 0.00 H new ATOM 0 HE2 MET A 380 0.055 7.413 5.116 1.00 0.00 H new ATOM 0 HE3 MET A 380 -0.811 8.625 6.089 1.00 0.00 H new ATOM 251 N TYR A 381 -3.135 3.371 5.917 1.00 0.00 N ATOM 252 CA TYR A 381 -4.595 3.072 5.999 1.00 0.00 C ATOM 253 C TYR A 381 -4.956 1.717 5.355 1.00 0.00 C ATOM 254 O TYR A 381 -6.116 1.458 5.088 1.00 0.00 O ATOM 255 CB TYR A 381 -5.279 4.242 5.295 1.00 0.00 C ATOM 256 CG TYR A 381 -4.986 5.515 6.068 1.00 0.00 C ATOM 257 CD1 TYR A 381 -3.822 6.271 5.766 1.00 0.00 C ATOM 258 CD2 TYR A 381 -5.874 5.961 7.091 1.00 0.00 C ATOM 259 CE1 TYR A 381 -3.542 7.463 6.482 1.00 0.00 C ATOM 260 CE2 TYR A 381 -5.590 7.158 7.804 1.00 0.00 C ATOM 261 CZ TYR A 381 -4.425 7.904 7.503 1.00 0.00 C ATOM 262 OH TYR A 381 -4.147 9.060 8.202 1.00 0.00 O ATOM 0 H TYR A 381 -2.742 3.395 4.976 1.00 0.00 H new ATOM 0 HA TYR A 381 -4.924 2.974 7.034 1.00 0.00 H new ATOM 0 HB2 TYR A 381 -4.917 4.330 4.271 1.00 0.00 H new ATOM 0 HB3 TYR A 381 -6.354 4.073 5.239 1.00 0.00 H new ATOM 0 HD1 TYR A 381 -3.149 5.938 4.990 1.00 0.00 H new ATOM 0 HD2 TYR A 381 -6.761 5.390 7.324 1.00 0.00 H new ATOM 0 HE1 TYR A 381 -2.656 8.036 6.250 1.00 0.00 H new ATOM 0 HE2 TYR A 381 -6.264 7.499 8.576 1.00 0.00 H new ATOM 0 HH TYR A 381 -4.928 9.652 8.180 1.00 0.00 H new ATOM 272 N GLY A 382 -3.997 0.829 5.142 1.00 0.00 N ATOM 273 CA GLY A 382 -4.306 -0.519 4.565 1.00 0.00 C ATOM 274 C GLY A 382 -5.241 -0.437 3.346 1.00 0.00 C ATOM 275 O GLY A 382 -4.874 0.074 2.304 1.00 0.00 O ATOM 0 H GLY A 382 -3.011 0.989 5.347 1.00 0.00 H new ATOM 0 HA2 GLY A 382 -3.376 -1.008 4.274 1.00 0.00 H new ATOM 0 HA3 GLY A 382 -4.767 -1.142 5.331 1.00 0.00 H new ATOM 279 N ALA A 383 -6.441 -0.968 3.467 1.00 0.00 N ATOM 280 CA ALA A 383 -7.396 -0.955 2.300 1.00 0.00 C ATOM 281 C ALA A 383 -8.048 0.427 2.083 1.00 0.00 C ATOM 282 O ALA A 383 -8.569 0.684 1.013 1.00 0.00 O ATOM 283 CB ALA A 383 -8.478 -2.000 2.614 1.00 0.00 C ATOM 0 H ALA A 383 -6.799 -1.407 4.315 1.00 0.00 H new ATOM 0 HA ALA A 383 -6.855 -1.182 1.381 1.00 0.00 H new ATOM 0 HB1 ALA A 383 -9.200 -2.033 1.798 1.00 0.00 H new ATOM 0 HB2 ALA A 383 -8.015 -2.980 2.729 1.00 0.00 H new ATOM 0 HB3 ALA A 383 -8.988 -1.729 3.539 1.00 0.00 H new ATOM 289 N ASN A 384 -8.041 1.318 3.057 1.00 0.00 N ATOM 290 CA ASN A 384 -8.691 2.661 2.822 1.00 0.00 C ATOM 291 C ASN A 384 -7.726 3.656 2.131 1.00 0.00 C ATOM 292 O ASN A 384 -8.100 4.784 1.886 1.00 0.00 O ATOM 293 CB ASN A 384 -9.120 3.198 4.199 1.00 0.00 C ATOM 294 CG ASN A 384 -9.901 2.121 4.964 1.00 0.00 C ATOM 295 OD1 ASN A 384 -11.004 1.777 4.590 1.00 0.00 O ATOM 296 ND2 ASN A 384 -9.373 1.566 6.027 1.00 0.00 N ATOM 0 H ASN A 384 -7.627 1.182 3.979 1.00 0.00 H new ATOM 0 HA ASN A 384 -9.546 2.548 2.155 1.00 0.00 H new ATOM 0 HB2 ASN A 384 -8.242 3.497 4.771 1.00 0.00 H new ATOM 0 HB3 ASN A 384 -9.738 4.087 4.075 1.00 0.00 H new ATOM 0 HD21 ASN A 384 -9.888 0.848 6.537 1.00 0.00 H new ATOM 0 HD22 ASN A 384 -8.447 1.852 6.345 1.00 0.00 H new ATOM 303 N CYS A 385 -6.497 3.263 1.813 1.00 0.00 N ATOM 304 CA CYS A 385 -5.536 4.218 1.129 1.00 0.00 C ATOM 305 C CYS A 385 -6.190 4.904 -0.097 1.00 0.00 C ATOM 306 O CYS A 385 -6.086 4.412 -1.204 1.00 0.00 O ATOM 307 CB CYS A 385 -4.352 3.357 0.657 1.00 0.00 C ATOM 308 SG CYS A 385 -3.053 4.416 -0.020 1.00 0.00 S ATOM 0 H CYS A 385 -6.122 2.332 1.996 1.00 0.00 H new ATOM 0 HA CYS A 385 -5.233 5.009 1.815 1.00 0.00 H new ATOM 0 HB2 CYS A 385 -3.960 2.774 1.490 1.00 0.00 H new ATOM 0 HB3 CYS A 385 -4.686 2.647 -0.100 1.00 0.00 H new ATOM 313 N TYR A 386 -6.873 6.021 0.087 1.00 0.00 N ATOM 314 CA TYR A 386 -7.535 6.704 -1.082 1.00 0.00 C ATOM 315 C TYR A 386 -6.481 7.241 -2.074 1.00 0.00 C ATOM 316 O TYR A 386 -6.695 7.224 -3.272 1.00 0.00 O ATOM 317 CB TYR A 386 -8.387 7.861 -0.496 1.00 0.00 C ATOM 318 CG TYR A 386 -7.500 8.990 0.006 1.00 0.00 C ATOM 319 CD1 TYR A 386 -7.052 9.987 -0.901 1.00 0.00 C ATOM 320 CD2 TYR A 386 -7.120 9.054 1.375 1.00 0.00 C ATOM 321 CE1 TYR A 386 -6.225 11.046 -0.443 1.00 0.00 C ATOM 322 CE2 TYR A 386 -6.285 10.116 1.839 1.00 0.00 C ATOM 323 CZ TYR A 386 -5.840 11.112 0.922 1.00 0.00 C ATOM 324 OH TYR A 386 -5.042 12.147 1.356 1.00 0.00 O ATOM 0 H TYR A 386 -6.999 6.484 0.987 1.00 0.00 H new ATOM 0 HA TYR A 386 -8.160 6.006 -1.639 1.00 0.00 H new ATOM 0 HB2 TYR A 386 -9.067 8.240 -1.259 1.00 0.00 H new ATOM 0 HB3 TYR A 386 -9.003 7.486 0.322 1.00 0.00 H new ATOM 0 HD1 TYR A 386 -7.341 9.939 -1.941 1.00 0.00 H new ATOM 0 HD2 TYR A 386 -7.464 8.298 2.065 1.00 0.00 H new ATOM 0 HE1 TYR A 386 -5.888 11.804 -1.135 1.00 0.00 H new ATOM 0 HE2 TYR A 386 -5.993 10.164 2.878 1.00 0.00 H new ATOM 0 HH TYR A 386 -5.513 12.655 2.049 1.00 0.00 H new ATOM 334 N ARG A 387 -5.356 7.728 -1.588 1.00 0.00 N ATOM 335 CA ARG A 387 -4.315 8.267 -2.531 1.00 0.00 C ATOM 336 C ARG A 387 -3.653 7.112 -3.303 1.00 0.00 C ATOM 337 O ARG A 387 -3.729 5.968 -2.894 1.00 0.00 O ATOM 338 CB ARG A 387 -3.281 9.034 -1.674 1.00 0.00 C ATOM 339 CG ARG A 387 -2.500 8.071 -0.766 1.00 0.00 C ATOM 340 CD ARG A 387 -1.405 8.846 -0.017 1.00 0.00 C ATOM 341 NE ARG A 387 -0.240 8.972 -0.967 1.00 0.00 N ATOM 342 CZ ARG A 387 0.989 9.177 -0.516 1.00 0.00 C ATOM 343 NH1 ARG A 387 1.237 9.324 0.767 1.00 0.00 N ATOM 344 NH2 ARG A 387 1.985 9.254 -1.363 1.00 0.00 N ATOM 0 H ARG A 387 -5.117 7.775 -0.598 1.00 0.00 H new ATOM 0 HA ARG A 387 -4.758 8.934 -3.270 1.00 0.00 H new ATOM 0 HB2 ARG A 387 -2.589 9.569 -2.324 1.00 0.00 H new ATOM 0 HB3 ARG A 387 -3.790 9.782 -1.066 1.00 0.00 H new ATOM 0 HG2 ARG A 387 -3.176 7.597 -0.054 1.00 0.00 H new ATOM 0 HG3 ARG A 387 -2.054 7.274 -1.361 1.00 0.00 H new ATOM 0 HD2 ARG A 387 -1.765 9.829 0.287 1.00 0.00 H new ATOM 0 HD3 ARG A 387 -1.110 8.320 0.891 1.00 0.00 H new ATOM 0 HE ARG A 387 -0.401 8.898 -1.972 1.00 0.00 H new ATOM 0 HH11 ARG A 387 0.474 9.281 1.442 1.00 0.00 H new ATOM 0 HH12 ARG A 387 2.193 9.481 1.087 1.00 0.00 H new ATOM 0 HH21 ARG A 387 1.812 9.156 -2.364 1.00 0.00 H new ATOM 0 HH22 ARG A 387 2.933 9.412 -1.022 1.00 0.00 H new ATOM 358 N LYS A 388 -3.012 7.400 -4.417 1.00 0.00 N ATOM 359 CA LYS A 388 -2.357 6.307 -5.209 1.00 0.00 C ATOM 360 C LYS A 388 -1.275 6.888 -6.140 1.00 0.00 C ATOM 361 O LYS A 388 -1.579 7.587 -7.088 1.00 0.00 O ATOM 362 CB LYS A 388 -3.490 5.668 -6.026 1.00 0.00 C ATOM 363 CG LYS A 388 -4.154 6.724 -6.920 1.00 0.00 C ATOM 364 CD LYS A 388 -5.562 6.270 -7.309 1.00 0.00 C ATOM 365 CE LYS A 388 -6.280 7.418 -8.023 1.00 0.00 C ATOM 366 NZ LYS A 388 -7.590 6.854 -8.451 1.00 0.00 N ATOM 0 H LYS A 388 -2.916 8.337 -4.808 1.00 0.00 H new ATOM 0 HA LYS A 388 -1.859 5.580 -4.568 1.00 0.00 H new ATOM 0 HB2 LYS A 388 -3.095 4.858 -6.639 1.00 0.00 H new ATOM 0 HB3 LYS A 388 -4.230 5.230 -5.356 1.00 0.00 H new ATOM 0 HG2 LYS A 388 -4.203 7.678 -6.395 1.00 0.00 H new ATOM 0 HG3 LYS A 388 -3.554 6.883 -7.816 1.00 0.00 H new ATOM 0 HD2 LYS A 388 -5.509 5.397 -7.960 1.00 0.00 H new ATOM 0 HD3 LYS A 388 -6.120 5.972 -6.421 1.00 0.00 H new ATOM 0 HE2 LYS A 388 -6.417 8.271 -7.358 1.00 0.00 H new ATOM 0 HE3 LYS A 388 -5.705 7.770 -8.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 -8.137 7.586 -8.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 -7.429 6.049 -9.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 -8.120 6.533 -7.615 1.00 0.00 H new ATOM 380 N ASN A 389 -0.015 6.618 -5.875 1.00 0.00 N ATOM 381 CA ASN A 389 1.063 7.170 -6.749 1.00 0.00 C ATOM 382 C ASN A 389 1.845 6.028 -7.420 1.00 0.00 C ATOM 383 O ASN A 389 1.667 4.879 -7.072 1.00 0.00 O ATOM 384 CB ASN A 389 1.974 7.955 -5.801 1.00 0.00 C ATOM 385 CG ASN A 389 1.637 9.450 -5.874 1.00 0.00 C ATOM 386 OD1 ASN A 389 0.486 9.829 -5.777 1.00 0.00 O ATOM 387 ND2 ASN A 389 2.598 10.327 -6.041 1.00 0.00 N ATOM 0 H ASN A 389 0.307 6.043 -5.096 1.00 0.00 H new ATOM 0 HA ASN A 389 0.666 7.794 -7.549 1.00 0.00 H new ATOM 0 HB2 ASN A 389 1.849 7.594 -4.780 1.00 0.00 H new ATOM 0 HB3 ASN A 389 3.018 7.795 -6.070 1.00 0.00 H new ATOM 0 HD21 ASN A 389 2.378 11.322 -6.089 1.00 0.00 H new ATOM 0 HD22 ASN A 389 3.565 10.014 -6.123 1.00 0.00 H new ATOM 394 N PRO A 390 2.700 6.379 -8.359 1.00 0.00 N ATOM 395 CA PRO A 390 3.515 5.350 -9.062 1.00 0.00 C ATOM 396 C PRO A 390 4.646 4.824 -8.148 1.00 0.00 C ATOM 397 O PRO A 390 5.070 3.700 -8.284 1.00 0.00 O ATOM 398 CB PRO A 390 4.092 6.104 -10.257 1.00 0.00 C ATOM 399 CG PRO A 390 4.107 7.544 -9.844 1.00 0.00 C ATOM 400 CD PRO A 390 2.995 7.736 -8.847 1.00 0.00 C ATOM 0 HA PRO A 390 2.933 4.475 -9.352 1.00 0.00 H new ATOM 0 HB2 PRO A 390 5.096 5.753 -10.497 1.00 0.00 H new ATOM 0 HB3 PRO A 390 3.481 5.956 -11.148 1.00 0.00 H new ATOM 0 HG2 PRO A 390 5.068 7.807 -9.403 1.00 0.00 H new ATOM 0 HG3 PRO A 390 3.965 8.193 -10.708 1.00 0.00 H new ATOM 0 HD2 PRO A 390 3.301 8.393 -8.033 1.00 0.00 H new ATOM 0 HD3 PRO A 390 2.120 8.190 -9.311 1.00 0.00 H new ATOM 408 N VAL A 391 5.125 5.623 -7.211 1.00 0.00 N ATOM 409 CA VAL A 391 6.201 5.153 -6.274 1.00 0.00 C ATOM 410 C VAL A 391 5.635 4.802 -4.869 1.00 0.00 C ATOM 411 O VAL A 391 6.284 4.115 -4.102 1.00 0.00 O ATOM 412 CB VAL A 391 7.201 6.307 -6.182 1.00 0.00 C ATOM 413 CG1 VAL A 391 8.355 5.923 -5.249 1.00 0.00 C ATOM 414 CG2 VAL A 391 7.762 6.612 -7.573 1.00 0.00 C ATOM 0 H VAL A 391 4.814 6.582 -7.058 1.00 0.00 H new ATOM 0 HA VAL A 391 6.665 4.238 -6.644 1.00 0.00 H new ATOM 0 HB VAL A 391 6.692 7.187 -5.788 1.00 0.00 H new ATOM 0 HG11 VAL A 391 9.064 6.749 -5.188 1.00 0.00 H new ATOM 0 HG12 VAL A 391 7.963 5.707 -4.255 1.00 0.00 H new ATOM 0 HG13 VAL A 391 8.860 5.040 -5.640 1.00 0.00 H new ATOM 0 HG21 VAL A 391 8.474 7.434 -7.506 1.00 0.00 H new ATOM 0 HG22 VAL A 391 8.265 5.728 -7.965 1.00 0.00 H new ATOM 0 HG23 VAL A 391 6.947 6.892 -8.241 1.00 0.00 H new ATOM 424 N HIS A 392 4.453 5.277 -4.511 1.00 0.00 N ATOM 425 CA HIS A 392 3.886 4.976 -3.146 1.00 0.00 C ATOM 426 C HIS A 392 3.608 3.472 -3.014 1.00 0.00 C ATOM 427 O HIS A 392 3.868 2.887 -1.979 1.00 0.00 O ATOM 428 CB HIS A 392 2.586 5.808 -3.047 1.00 0.00 C ATOM 429 CG HIS A 392 1.771 5.409 -1.850 1.00 0.00 C ATOM 430 ND1 HIS A 392 1.844 6.084 -0.642 1.00 0.00 N ATOM 431 CD2 HIS A 392 0.833 4.426 -1.677 1.00 0.00 C ATOM 432 CE1 HIS A 392 0.966 5.507 0.196 1.00 0.00 C ATOM 433 NE2 HIS A 392 0.324 4.490 -0.387 1.00 0.00 N ATOM 0 H HIS A 392 3.860 5.858 -5.104 1.00 0.00 H new ATOM 0 HA HIS A 392 4.574 5.234 -2.341 1.00 0.00 H new ATOM 0 HB2 HIS A 392 2.834 6.868 -2.984 1.00 0.00 H new ATOM 0 HB3 HIS A 392 1.995 5.673 -3.953 1.00 0.00 H new ATOM 0 HD1 HIS A 392 2.453 6.874 -0.428 1.00 0.00 H new ATOM 0 HD2 HIS A 392 0.535 3.711 -2.429 1.00 0.00 H new ATOM 0 HE1 HIS A 392 0.800 5.826 1.214 1.00 0.00 H new ATOM 441 N PHE A 393 3.111 2.828 -4.057 1.00 0.00 N ATOM 442 CA PHE A 393 2.866 1.341 -3.957 1.00 0.00 C ATOM 443 C PHE A 393 4.179 0.658 -3.540 1.00 0.00 C ATOM 444 O PHE A 393 4.177 -0.288 -2.773 1.00 0.00 O ATOM 445 CB PHE A 393 2.445 0.855 -5.352 1.00 0.00 C ATOM 446 CG PHE A 393 0.964 1.056 -5.551 1.00 0.00 C ATOM 447 CD1 PHE A 393 0.030 0.225 -4.875 1.00 0.00 C ATOM 448 CD2 PHE A 393 0.505 2.074 -6.427 1.00 0.00 C ATOM 449 CE1 PHE A 393 -1.364 0.417 -5.074 1.00 0.00 C ATOM 450 CE2 PHE A 393 -0.888 2.267 -6.627 1.00 0.00 C ATOM 451 CZ PHE A 393 -1.823 1.439 -5.951 1.00 0.00 C ATOM 0 H PHE A 393 2.870 3.255 -4.951 1.00 0.00 H new ATOM 0 HA PHE A 393 2.093 1.108 -3.225 1.00 0.00 H new ATOM 0 HB2 PHE A 393 2.999 1.400 -6.117 1.00 0.00 H new ATOM 0 HB3 PHE A 393 2.695 -0.200 -5.468 1.00 0.00 H new ATOM 0 HD1 PHE A 393 0.379 -0.552 -4.211 1.00 0.00 H new ATOM 0 HD2 PHE A 393 1.216 2.703 -6.942 1.00 0.00 H new ATOM 0 HE1 PHE A 393 -2.075 -0.213 -4.560 1.00 0.00 H new ATOM 0 HE2 PHE A 393 -1.236 3.043 -7.293 1.00 0.00 H new ATOM 0 HZ PHE A 393 -2.882 1.585 -6.103 1.00 0.00 H new ATOM 461 N GLN A 394 5.305 1.144 -4.038 1.00 0.00 N ATOM 462 CA GLN A 394 6.610 0.511 -3.647 1.00 0.00 C ATOM 463 C GLN A 394 6.984 0.916 -2.211 1.00 0.00 C ATOM 464 O GLN A 394 7.622 0.161 -1.514 1.00 0.00 O ATOM 465 CB GLN A 394 7.682 1.006 -4.634 1.00 0.00 C ATOM 466 CG GLN A 394 7.416 0.431 -6.032 1.00 0.00 C ATOM 467 CD GLN A 394 6.768 1.503 -6.909 1.00 0.00 C ATOM 468 OE1 GLN A 394 7.450 2.347 -7.454 1.00 0.00 O ATOM 469 NE2 GLN A 394 5.474 1.496 -7.092 1.00 0.00 N ATOM 0 H GLN A 394 5.372 1.932 -4.682 1.00 0.00 H new ATOM 0 HA GLN A 394 6.533 -0.576 -3.681 1.00 0.00 H new ATOM 0 HB2 GLN A 394 7.677 2.095 -4.673 1.00 0.00 H new ATOM 0 HB3 GLN A 394 8.671 0.704 -4.290 1.00 0.00 H new ATOM 0 HG2 GLN A 394 8.350 0.093 -6.482 1.00 0.00 H new ATOM 0 HG3 GLN A 394 6.764 -0.439 -5.961 1.00 0.00 H new ATOM 0 HE21 GLN A 394 4.898 0.788 -6.636 1.00 0.00 H new ATOM 0 HE22 GLN A 394 5.040 2.198 -7.691 1.00 0.00 H new ATOM 478 N HIS A 395 6.603 2.100 -1.761 1.00 0.00 N ATOM 479 CA HIS A 395 6.967 2.518 -0.357 1.00 0.00 C ATOM 480 C HIS A 395 6.089 1.807 0.693 1.00 0.00 C ATOM 481 O HIS A 395 6.505 1.637 1.824 1.00 0.00 O ATOM 482 CB HIS A 395 6.736 4.036 -0.283 1.00 0.00 C ATOM 483 CG HIS A 395 7.799 4.750 -1.072 1.00 0.00 C ATOM 484 ND1 HIS A 395 8.074 6.096 -0.888 1.00 0.00 N ATOM 485 CD2 HIS A 395 8.665 4.321 -2.047 1.00 0.00 C ATOM 486 CE1 HIS A 395 9.069 6.426 -1.732 1.00 0.00 C ATOM 487 NE2 HIS A 395 9.466 5.381 -2.462 1.00 0.00 N ATOM 0 H HIS A 395 6.066 2.783 -2.295 1.00 0.00 H new ATOM 0 HA HIS A 395 8.001 2.249 -0.140 1.00 0.00 H new ATOM 0 HB2 HIS A 395 5.750 4.283 -0.676 1.00 0.00 H new ATOM 0 HB3 HIS A 395 6.757 4.366 0.755 1.00 0.00 H new ATOM 0 HD2 HIS A 395 8.717 3.314 -2.433 1.00 0.00 H new ATOM 0 HE1 HIS A 395 9.495 7.416 -1.809 1.00 0.00 H new ATOM 0 HE2 HIS A 395 10.199 5.363 -3.171 1.00 0.00 H new ATOM 496 N PHE A 396 4.876 1.410 0.351 1.00 0.00 N ATOM 497 CA PHE A 396 3.994 0.739 1.362 1.00 0.00 C ATOM 498 C PHE A 396 3.218 -0.421 0.718 1.00 0.00 C ATOM 499 O PHE A 396 2.896 -0.382 -0.455 1.00 0.00 O ATOM 500 CB PHE A 396 3.015 1.827 1.822 1.00 0.00 C ATOM 501 CG PHE A 396 3.765 3.048 2.320 1.00 0.00 C ATOM 502 CD1 PHE A 396 4.229 3.102 3.662 1.00 0.00 C ATOM 503 CD2 PHE A 396 4.000 4.144 1.444 1.00 0.00 C ATOM 504 CE1 PHE A 396 4.926 4.250 4.128 1.00 0.00 C ATOM 505 CE2 PHE A 396 4.699 5.291 1.909 1.00 0.00 C ATOM 506 CZ PHE A 396 5.162 5.344 3.252 1.00 0.00 C ATOM 0 H PHE A 396 4.466 1.522 -0.576 1.00 0.00 H new ATOM 0 HA PHE A 396 4.571 0.321 2.187 1.00 0.00 H new ATOM 0 HB2 PHE A 396 2.361 2.108 0.996 1.00 0.00 H new ATOM 0 HB3 PHE A 396 2.377 1.437 2.615 1.00 0.00 H new ATOM 0 HD1 PHE A 396 4.052 2.271 4.328 1.00 0.00 H new ATOM 0 HD2 PHE A 396 3.647 4.104 0.424 1.00 0.00 H new ATOM 0 HE1 PHE A 396 5.277 4.291 5.149 1.00 0.00 H new ATOM 0 HE2 PHE A 396 4.878 6.122 1.242 1.00 0.00 H new ATOM 0 HZ PHE A 396 5.693 6.215 3.606 1.00 0.00 H new ATOM 516 N SER A 397 2.888 -1.437 1.488 1.00 0.00 N ATOM 517 CA SER A 397 2.103 -2.580 0.925 1.00 0.00 C ATOM 518 C SER A 397 0.607 -2.304 1.072 1.00 0.00 C ATOM 519 O SER A 397 0.206 -1.350 1.710 1.00 0.00 O ATOM 520 CB SER A 397 2.482 -3.832 1.728 1.00 0.00 C ATOM 521 OG SER A 397 3.883 -3.846 1.947 1.00 0.00 O ATOM 0 H SER A 397 3.128 -1.521 2.476 1.00 0.00 H new ATOM 0 HA SER A 397 2.324 -2.717 -0.134 1.00 0.00 H new ATOM 0 HB2 SER A 397 1.954 -3.839 2.681 1.00 0.00 H new ATOM 0 HB3 SER A 397 2.178 -4.729 1.188 1.00 0.00 H new ATOM 0 HG SER A 397 4.105 -4.540 2.602 1.00 0.00 H new ATOM 527 N HIS A 398 -0.223 -3.129 0.481 1.00 0.00 N ATOM 528 CA HIS A 398 -1.691 -2.915 0.587 1.00 0.00 C ATOM 529 C HIS A 398 -2.386 -4.274 0.650 1.00 0.00 C ATOM 530 O HIS A 398 -1.864 -5.242 0.131 1.00 0.00 O ATOM 531 CB HIS A 398 -2.086 -2.160 -0.688 1.00 0.00 C ATOM 532 CG HIS A 398 -1.505 -0.766 -0.667 1.00 0.00 C ATOM 533 ND1 HIS A 398 -0.412 -0.410 -1.441 1.00 0.00 N ATOM 534 CD2 HIS A 398 -1.862 0.371 0.021 1.00 0.00 C ATOM 535 CE1 HIS A 398 -0.151 0.892 -1.205 1.00 0.00 C ATOM 536 NE2 HIS A 398 -1.007 1.418 -0.322 1.00 0.00 N ATOM 0 H HIS A 398 0.058 -3.940 -0.069 1.00 0.00 H new ATOM 0 HA HIS A 398 -1.975 -2.355 1.478 1.00 0.00 H new ATOM 0 HB2 HIS A 398 -1.727 -2.699 -1.565 1.00 0.00 H new ATOM 0 HB3 HIS A 398 -3.172 -2.109 -0.768 1.00 0.00 H new ATOM 0 HD1 HIS A 398 0.102 -1.022 -2.075 1.00 0.00 H new ATOM 0 HD2 HIS A 398 -2.681 0.442 0.721 1.00 0.00 H new ATOM 0 HE1 HIS A 398 0.652 1.443 -1.672 1.00 0.00 H new ATOM 544 N PRO A 399 -3.542 -4.330 1.265 1.00 0.00 N ATOM 545 CA PRO A 399 -4.269 -5.621 1.346 1.00 0.00 C ATOM 546 C PRO A 399 -4.583 -6.108 -0.076 1.00 0.00 C ATOM 547 O PRO A 399 -4.958 -5.321 -0.926 1.00 0.00 O ATOM 548 CB PRO A 399 -5.527 -5.277 2.147 1.00 0.00 C ATOM 549 CG PRO A 399 -5.691 -3.802 1.968 1.00 0.00 C ATOM 550 CD PRO A 399 -4.295 -3.242 1.909 1.00 0.00 C ATOM 0 HA PRO A 399 -3.712 -6.429 1.821 1.00 0.00 H new ATOM 0 HB2 PRO A 399 -6.395 -5.821 1.776 1.00 0.00 H new ATOM 0 HB3 PRO A 399 -5.412 -5.539 3.199 1.00 0.00 H new ATOM 0 HG2 PRO A 399 -6.242 -3.577 1.055 1.00 0.00 H new ATOM 0 HG3 PRO A 399 -6.253 -3.367 2.795 1.00 0.00 H new ATOM 0 HD2 PRO A 399 -4.252 -2.320 1.329 1.00 0.00 H new ATOM 0 HD3 PRO A 399 -3.908 -3.013 2.902 1.00 0.00 H new ATOM 558 N GLY A 400 -4.417 -7.384 -0.351 1.00 0.00 N ATOM 559 CA GLY A 400 -4.692 -7.883 -1.730 1.00 0.00 C ATOM 560 C GLY A 400 -3.382 -8.148 -2.511 1.00 0.00 C ATOM 561 O GLY A 400 -3.435 -8.595 -3.642 1.00 0.00 O ATOM 0 H GLY A 400 -4.106 -8.091 0.316 1.00 0.00 H new ATOM 0 HA2 GLY A 400 -5.276 -8.802 -1.676 1.00 0.00 H new ATOM 0 HA3 GLY A 400 -5.296 -7.153 -2.268 1.00 0.00 H new ATOM 565 N ASP A 401 -2.207 -7.903 -1.940 1.00 0.00 N ATOM 566 CA ASP A 401 -0.951 -8.181 -2.689 1.00 0.00 C ATOM 567 C ASP A 401 -0.202 -9.336 -2.012 1.00 0.00 C ATOM 568 O ASP A 401 -0.625 -9.825 -0.979 1.00 0.00 O ATOM 569 CB ASP A 401 -0.135 -6.890 -2.627 1.00 0.00 C ATOM 570 CG ASP A 401 0.681 -6.750 -3.912 1.00 0.00 C ATOM 571 OD1 ASP A 401 0.090 -6.450 -4.936 1.00 0.00 O ATOM 572 OD2 ASP A 401 1.883 -6.950 -3.853 1.00 0.00 O ATOM 0 H ASP A 401 -2.081 -7.528 -1.000 1.00 0.00 H new ATOM 0 HA ASP A 401 -1.138 -8.473 -3.722 1.00 0.00 H new ATOM 0 HB2 ASP A 401 -0.797 -6.032 -2.507 1.00 0.00 H new ATOM 0 HB3 ASP A 401 0.527 -6.905 -1.761 1.00 0.00 H new ATOM 577 N SER A 402 0.899 -9.779 -2.575 1.00 0.00 N ATOM 578 CA SER A 402 1.653 -10.912 -1.931 1.00 0.00 C ATOM 579 C SER A 402 2.499 -10.406 -0.751 1.00 0.00 C ATOM 580 O SER A 402 2.812 -11.168 0.146 1.00 0.00 O ATOM 581 CB SER A 402 2.559 -11.510 -3.015 1.00 0.00 C ATOM 582 OG SER A 402 2.863 -12.859 -2.681 1.00 0.00 O ATOM 0 H SER A 402 1.305 -9.415 -3.437 1.00 0.00 H new ATOM 0 HA SER A 402 0.963 -11.658 -1.536 1.00 0.00 H new ATOM 0 HB2 SER A 402 2.063 -11.466 -3.985 1.00 0.00 H new ATOM 0 HB3 SER A 402 3.477 -10.928 -3.100 1.00 0.00 H new ATOM 0 HG SER A 402 3.441 -13.245 -3.372 1.00 0.00 H new ATOM 588 N ASP A 403 2.898 -9.146 -0.735 1.00 0.00 N ATOM 589 CA ASP A 403 3.746 -8.653 0.399 1.00 0.00 C ATOM 590 C ASP A 403 2.921 -7.916 1.477 1.00 0.00 C ATOM 591 O ASP A 403 3.493 -7.438 2.436 1.00 0.00 O ATOM 592 CB ASP A 403 4.763 -7.684 -0.230 1.00 0.00 C ATOM 593 CG ASP A 403 5.531 -8.376 -1.363 1.00 0.00 C ATOM 594 OD1 ASP A 403 6.150 -9.395 -1.100 1.00 0.00 O ATOM 595 OD2 ASP A 403 5.488 -7.872 -2.474 1.00 0.00 O ATOM 0 H ASP A 403 2.675 -8.452 -1.448 1.00 0.00 H new ATOM 0 HA ASP A 403 4.221 -9.494 0.904 1.00 0.00 H new ATOM 0 HB2 ASP A 403 4.247 -6.805 -0.616 1.00 0.00 H new ATOM 0 HB3 ASP A 403 5.461 -7.335 0.531 1.00 0.00 H new ATOM 600 N TYR A 404 1.596 -7.805 1.347 1.00 0.00 N ATOM 601 CA TYR A 404 0.789 -7.080 2.405 1.00 0.00 C ATOM 602 C TYR A 404 1.208 -7.531 3.813 1.00 0.00 C ATOM 603 O TYR A 404 1.412 -8.709 4.054 1.00 0.00 O ATOM 604 CB TYR A 404 -0.686 -7.442 2.164 1.00 0.00 C ATOM 605 CG TYR A 404 -1.552 -6.719 3.172 1.00 0.00 C ATOM 606 CD1 TYR A 404 -1.447 -5.309 3.327 1.00 0.00 C ATOM 607 CD2 TYR A 404 -2.466 -7.453 3.971 1.00 0.00 C ATOM 608 CE1 TYR A 404 -2.259 -4.636 4.280 1.00 0.00 C ATOM 609 CE2 TYR A 404 -3.278 -6.783 4.924 1.00 0.00 C ATOM 610 CZ TYR A 404 -3.174 -5.373 5.080 1.00 0.00 C ATOM 611 OH TYR A 404 -3.961 -4.722 6.006 1.00 0.00 O ATOM 0 H TYR A 404 1.054 -8.179 0.568 1.00 0.00 H new ATOM 0 HA TYR A 404 0.953 -6.004 2.340 1.00 0.00 H new ATOM 0 HB2 TYR A 404 -0.979 -7.165 1.151 1.00 0.00 H new ATOM 0 HB3 TYR A 404 -0.827 -8.519 2.253 1.00 0.00 H new ATOM 0 HD1 TYR A 404 -0.750 -4.750 2.720 1.00 0.00 H new ATOM 0 HD2 TYR A 404 -2.544 -8.524 3.854 1.00 0.00 H new ATOM 0 HE1 TYR A 404 -2.181 -3.565 4.396 1.00 0.00 H new ATOM 0 HE2 TYR A 404 -3.974 -7.344 5.530 1.00 0.00 H new ATOM 0 HH TYR A 404 -4.531 -5.373 6.467 1.00 0.00 H new ATOM 621 N GLY A 405 1.337 -6.611 4.740 1.00 0.00 N ATOM 622 CA GLY A 405 1.743 -7.010 6.117 1.00 0.00 C ATOM 623 C GLY A 405 0.971 -6.239 7.195 1.00 0.00 C ATOM 624 O GLY A 405 1.414 -6.174 8.317 1.00 0.00 O ATOM 0 H GLY A 405 1.180 -5.613 4.601 1.00 0.00 H new ATOM 0 HA2 GLY A 405 1.576 -8.079 6.248 1.00 0.00 H new ATOM 0 HA3 GLY A 405 2.812 -6.836 6.244 1.00 0.00 H new ATOM 628 N GLY A 406 -0.178 -5.670 6.900 1.00 0.00 N ATOM 629 CA GLY A 406 -0.941 -4.932 7.948 1.00 0.00 C ATOM 630 C GLY A 406 -1.229 -5.830 9.161 1.00 0.00 C ATOM 631 O GLY A 406 -1.402 -5.343 10.263 1.00 0.00 O ATOM 0 H GLY A 406 -0.615 -5.688 5.979 1.00 0.00 H new ATOM 0 HA2 GLY A 406 -0.374 -4.057 8.266 1.00 0.00 H new ATOM 0 HA3 GLY A 406 -1.880 -4.569 7.530 1.00 0.00 H new ATOM 635 N VAL A 407 -1.289 -7.126 8.971 1.00 0.00 N ATOM 636 CA VAL A 407 -1.574 -8.036 10.117 1.00 0.00 C ATOM 637 C VAL A 407 -0.273 -8.719 10.594 1.00 0.00 C ATOM 638 O VAL A 407 -0.089 -9.906 10.405 1.00 0.00 O ATOM 639 CB VAL A 407 -2.571 -9.051 9.538 1.00 0.00 C ATOM 640 CG1 VAL A 407 -2.881 -10.150 10.558 1.00 0.00 C ATOM 641 CG2 VAL A 407 -3.866 -8.326 9.162 1.00 0.00 C ATOM 0 H VAL A 407 -1.153 -7.589 8.073 1.00 0.00 H new ATOM 0 HA VAL A 407 -1.975 -7.522 10.990 1.00 0.00 H new ATOM 0 HB VAL A 407 -2.129 -9.512 8.655 1.00 0.00 H new ATOM 0 HG11 VAL A 407 -3.589 -10.858 10.127 1.00 0.00 H new ATOM 0 HG12 VAL A 407 -1.961 -10.672 10.821 1.00 0.00 H new ATOM 0 HG13 VAL A 407 -3.314 -9.704 11.453 1.00 0.00 H new ATOM 0 HG21 VAL A 407 -4.577 -9.042 8.750 1.00 0.00 H new ATOM 0 HG22 VAL A 407 -4.293 -7.860 10.050 1.00 0.00 H new ATOM 0 HG23 VAL A 407 -3.651 -7.559 8.418 1.00 0.00 H new ATOM 651 N GLN A 408 0.631 -7.980 11.220 1.00 0.00 N ATOM 652 CA GLN A 408 1.910 -8.621 11.712 1.00 0.00 C ATOM 653 C GLN A 408 1.642 -9.409 13.005 1.00 0.00 C ATOM 654 O GLN A 408 1.896 -8.920 14.092 1.00 0.00 O ATOM 655 CB GLN A 408 2.919 -7.494 12.013 1.00 0.00 C ATOM 656 CG GLN A 408 3.052 -6.546 10.819 1.00 0.00 C ATOM 657 CD GLN A 408 2.400 -5.196 11.158 1.00 0.00 C ATOM 658 OE1 GLN A 408 2.437 -4.766 12.295 1.00 0.00 O ATOM 659 NE2 GLN A 408 1.806 -4.500 10.224 1.00 0.00 N ATOM 0 H GLN A 408 0.542 -6.982 11.408 1.00 0.00 H new ATOM 0 HA GLN A 408 2.299 -9.304 10.956 1.00 0.00 H new ATOM 0 HB2 GLN A 408 2.595 -6.936 12.891 1.00 0.00 H new ATOM 0 HB3 GLN A 408 3.892 -7.925 12.250 1.00 0.00 H new ATOM 0 HG2 GLN A 408 4.104 -6.402 10.572 1.00 0.00 H new ATOM 0 HG3 GLN A 408 2.575 -6.981 9.941 1.00 0.00 H new ATOM 0 HE21 GLN A 408 1.771 -4.854 9.268 1.00 0.00 H new ATOM 0 HE22 GLN A 408 1.378 -3.603 10.451 1.00 0.00 H new ATOM 668 N ILE A 409 1.140 -10.622 12.908 1.00 0.00 N ATOM 669 CA ILE A 409 0.877 -11.413 14.149 1.00 0.00 C ATOM 670 C ILE A 409 1.802 -12.640 14.200 1.00 0.00 C ATOM 671 O ILE A 409 1.358 -13.766 14.080 1.00 0.00 O ATOM 672 CB ILE A 409 -0.596 -11.832 14.061 1.00 0.00 C ATOM 673 CG1 ILE A 409 -1.474 -10.576 14.013 1.00 0.00 C ATOM 674 CG2 ILE A 409 -0.970 -12.669 15.290 1.00 0.00 C ATOM 675 CD1 ILE A 409 -2.913 -10.967 13.669 1.00 0.00 C ATOM 0 H ILE A 409 0.905 -11.090 12.033 1.00 0.00 H new ATOM 0 HA ILE A 409 1.071 -10.838 15.055 1.00 0.00 H new ATOM 0 HB ILE A 409 -0.752 -12.426 13.161 1.00 0.00 H new ATOM 0 HG12 ILE A 409 -1.446 -10.064 14.975 1.00 0.00 H new ATOM 0 HG13 ILE A 409 -1.088 -9.879 13.269 1.00 0.00 H new ATOM 0 HG21 ILE A 409 -2.017 -12.965 15.224 1.00 0.00 H new ATOM 0 HG22 ILE A 409 -0.343 -13.560 15.328 1.00 0.00 H new ATOM 0 HG23 ILE A 409 -0.816 -12.078 16.193 1.00 0.00 H new ATOM 0 HD11 ILE A 409 -3.535 -10.073 13.636 1.00 0.00 H new ATOM 0 HD12 ILE A 409 -2.934 -11.460 12.697 1.00 0.00 H new ATOM 0 HD13 ILE A 409 -3.297 -11.647 14.429 1.00 0.00 H new ATOM 687 N VAL A 410 3.085 -12.426 14.400 1.00 0.00 N ATOM 688 CA VAL A 410 4.040 -13.574 14.485 1.00 0.00 C ATOM 689 C VAL A 410 4.702 -13.568 15.872 1.00 0.00 C ATOM 690 O VAL A 410 5.896 -13.366 15.994 1.00 0.00 O ATOM 691 CB VAL A 410 5.074 -13.346 13.369 1.00 0.00 C ATOM 692 CG1 VAL A 410 5.829 -12.025 13.592 1.00 0.00 C ATOM 693 CG2 VAL A 410 6.069 -14.511 13.359 1.00 0.00 C ATOM 0 H VAL A 410 3.508 -11.504 14.508 1.00 0.00 H new ATOM 0 HA VAL A 410 3.552 -14.540 14.359 1.00 0.00 H new ATOM 0 HB VAL A 410 4.555 -13.291 12.412 1.00 0.00 H new ATOM 0 HG11 VAL A 410 6.556 -11.882 12.792 1.00 0.00 H new ATOM 0 HG12 VAL A 410 5.121 -11.197 13.591 1.00 0.00 H new ATOM 0 HG13 VAL A 410 6.346 -12.059 14.551 1.00 0.00 H new ATOM 0 HG21 VAL A 410 6.804 -14.355 12.570 1.00 0.00 H new ATOM 0 HG22 VAL A 410 6.576 -14.564 14.322 1.00 0.00 H new ATOM 0 HG23 VAL A 410 5.535 -15.444 13.178 1.00 0.00 H new ATOM 703 N GLY A 411 3.927 -13.760 16.918 1.00 0.00 N ATOM 704 CA GLY A 411 4.502 -13.733 18.293 1.00 0.00 C ATOM 705 C GLY A 411 4.346 -12.310 18.842 1.00 0.00 C ATOM 706 O GLY A 411 5.302 -11.699 19.279 1.00 0.00 O ATOM 0 H GLY A 411 2.923 -13.934 16.872 1.00 0.00 H new ATOM 0 HA2 GLY A 411 3.988 -14.448 18.935 1.00 0.00 H new ATOM 0 HA3 GLY A 411 5.553 -14.021 18.273 1.00 0.00 H new ATOM 710 N GLN A 412 3.143 -11.768 18.799 1.00 0.00 N ATOM 711 CA GLN A 412 2.915 -10.359 19.298 1.00 0.00 C ATOM 712 C GLN A 412 3.562 -10.144 20.684 1.00 0.00 C ATOM 713 O GLN A 412 4.519 -9.403 20.810 1.00 0.00 O ATOM 714 CB GLN A 412 1.390 -10.171 19.395 1.00 0.00 C ATOM 715 CG GLN A 412 0.783 -10.178 17.987 1.00 0.00 C ATOM 716 CD GLN A 412 -0.571 -10.903 18.010 1.00 0.00 C ATOM 717 OE1 GLN A 412 -0.653 -12.130 18.467 1.00 0.00 O flip ATOM 718 NE2 GLN A 412 -1.572 -10.344 17.606 1.00 0.00 N flip ATOM 0 H GLN A 412 2.311 -12.237 18.442 1.00 0.00 H new ATOM 0 HA GLN A 412 3.368 -9.637 18.619 1.00 0.00 H new ATOM 0 HB2 GLN A 412 0.952 -10.969 19.995 1.00 0.00 H new ATOM 0 HB3 GLN A 412 1.160 -9.231 19.897 1.00 0.00 H new ATOM 0 HG2 GLN A 412 0.653 -9.156 17.632 1.00 0.00 H new ATOM 0 HG3 GLN A 412 1.460 -10.674 17.291 1.00 0.00 H new ATOM 0 HE21 GLN A 412 -1.515 -9.390 17.250 1.00 0.00 H new ATOM 0 HE22 GLN A 412 -2.469 -10.829 17.624 1.00 0.00 H new ATOM 727 N ASP A 413 3.053 -10.782 21.723 1.00 0.00 N ATOM 728 CA ASP A 413 3.656 -10.599 23.088 1.00 0.00 C ATOM 729 C ASP A 413 3.031 -11.577 24.101 1.00 0.00 C ATOM 730 O ASP A 413 2.667 -11.189 25.196 1.00 0.00 O ATOM 731 CB ASP A 413 3.331 -9.154 23.480 1.00 0.00 C ATOM 732 CG ASP A 413 4.457 -8.596 24.352 1.00 0.00 C ATOM 733 OD1 ASP A 413 4.530 -8.981 25.507 1.00 0.00 O ATOM 734 OD2 ASP A 413 5.226 -7.794 23.849 1.00 0.00 O ATOM 0 H ASP A 413 2.254 -11.415 21.683 1.00 0.00 H new ATOM 0 HA ASP A 413 4.728 -10.795 23.082 1.00 0.00 H new ATOM 0 HB2 ASP A 413 3.211 -8.542 22.586 1.00 0.00 H new ATOM 0 HB3 ASP A 413 2.385 -9.117 24.021 1.00 0.00 H new ATOM 739 N GLU A 414 2.900 -12.840 23.747 1.00 0.00 N ATOM 740 CA GLU A 414 2.298 -13.825 24.696 1.00 0.00 C ATOM 741 C GLU A 414 3.330 -14.894 25.086 1.00 0.00 C ATOM 742 O GLU A 414 3.050 -16.077 25.025 1.00 0.00 O ATOM 743 CB GLU A 414 1.133 -14.453 23.928 1.00 0.00 C ATOM 744 CG GLU A 414 -0.042 -14.688 24.880 1.00 0.00 C ATOM 745 CD GLU A 414 -1.358 -14.470 24.131 1.00 0.00 C ATOM 746 OE1 GLU A 414 -1.444 -13.503 23.392 1.00 0.00 O ATOM 747 OE2 GLU A 414 -2.259 -15.274 24.309 1.00 0.00 O ATOM 0 H GLU A 414 3.184 -13.224 22.846 1.00 0.00 H new ATOM 0 HA GLU A 414 1.969 -13.356 25.623 1.00 0.00 H new ATOM 0 HB2 GLU A 414 0.827 -13.799 23.112 1.00 0.00 H new ATOM 0 HB3 GLU A 414 1.446 -15.396 23.480 1.00 0.00 H new ATOM 0 HG2 GLU A 414 -0.003 -15.701 25.280 1.00 0.00 H new ATOM 0 HG3 GLU A 414 0.022 -14.007 25.729 1.00 0.00 H new ATOM 754 N THR A 415 4.517 -14.492 25.491 1.00 0.00 N ATOM 755 CA THR A 415 5.552 -15.495 25.884 1.00 0.00 C ATOM 756 C THR A 415 5.896 -15.335 27.373 1.00 0.00 C ATOM 757 O THR A 415 7.002 -14.964 27.723 1.00 0.00 O ATOM 758 CB THR A 415 6.771 -15.190 25.007 1.00 0.00 C ATOM 759 OG1 THR A 415 6.681 -13.864 24.500 1.00 0.00 O ATOM 760 CG2 THR A 415 6.825 -16.181 23.842 1.00 0.00 C ATOM 0 H THR A 415 4.808 -13.517 25.564 1.00 0.00 H new ATOM 0 HA THR A 415 5.209 -16.520 25.743 1.00 0.00 H new ATOM 0 HB THR A 415 7.676 -15.284 25.607 1.00 0.00 H new ATOM 0 HG1 THR A 415 7.463 -13.674 23.942 1.00 0.00 H new ATOM 0 HG21 THR A 415 7.692 -15.963 23.219 1.00 0.00 H new ATOM 0 HG22 THR A 415 6.904 -17.196 24.231 1.00 0.00 H new ATOM 0 HG23 THR A 415 5.918 -16.091 23.245 1.00 0.00 H new ATOM 768 N ASP A 416 4.959 -15.615 28.254 1.00 0.00 N ATOM 769 CA ASP A 416 5.238 -15.478 29.715 1.00 0.00 C ATOM 770 C ASP A 416 4.641 -16.668 30.484 1.00 0.00 C ATOM 771 O ASP A 416 4.078 -16.499 31.549 1.00 0.00 O ATOM 772 CB ASP A 416 4.552 -14.175 30.128 1.00 0.00 C ATOM 773 CG ASP A 416 5.173 -13.661 31.429 1.00 0.00 C ATOM 774 OD1 ASP A 416 6.382 -13.765 31.566 1.00 0.00 O ATOM 775 OD2 ASP A 416 4.431 -13.174 32.265 1.00 0.00 O ATOM 0 H ASP A 416 4.018 -15.931 28.021 1.00 0.00 H new ATOM 0 HA ASP A 416 6.306 -15.464 29.932 1.00 0.00 H new ATOM 0 HB2 ASP A 416 4.661 -13.429 29.341 1.00 0.00 H new ATOM 0 HB3 ASP A 416 3.483 -14.341 30.264 1.00 0.00 H new ATOM 780 N ASP A 417 4.759 -17.871 29.957 1.00 0.00 N ATOM 781 CA ASP A 417 4.195 -19.058 30.668 1.00 0.00 C ATOM 782 C ASP A 417 5.311 -20.048 31.011 1.00 0.00 C ATOM 783 O ASP A 417 5.035 -21.236 31.032 1.00 0.00 O ATOM 784 CB ASP A 417 3.210 -19.681 29.678 1.00 0.00 C ATOM 785 CG ASP A 417 1.990 -18.769 29.528 1.00 0.00 C ATOM 786 OD1 ASP A 417 2.171 -17.563 29.558 1.00 0.00 O ATOM 787 OD2 ASP A 417 0.898 -19.292 29.386 1.00 0.00 O ATOM 0 H ASP A 417 5.220 -18.075 29.070 1.00 0.00 H new ATOM 0 HA ASP A 417 3.712 -18.787 31.607 1.00 0.00 H new ATOM 0 HB2 ASP A 417 3.692 -19.824 28.711 1.00 0.00 H new ATOM 0 HB3 ASP A 417 2.900 -20.666 30.028 1.00 0.00 H new TER 792 ASP A 417 HETATM 793 ZN ZN A1001 -1.064 3.405 0.398 1.00 0.00 ZN HETATM 794 O5' ADN A1002 -6.991 14.096 8.306 1.00 0.00 O HETATM 795 C5' ADN A1002 -6.574 12.735 8.339 1.00 0.00 C HETATM 796 C4' ADN A1002 -5.532 12.481 7.276 1.00 0.00 C HETATM 797 O4' ADN A1002 -5.145 11.081 7.322 1.00 0.00 O HETATM 798 C3' ADN A1002 -6.000 12.715 5.845 1.00 0.00 C HETATM 799 O3' ADN A1002 -5.816 14.060 5.425 1.00 0.00 O HETATM 800 C2' ADN A1002 -5.116 11.761 5.054 1.00 0.00 C HETATM 801 O2' ADN A1002 -3.818 12.309 4.886 1.00 0.00 O HETATM 802 C1' ADN A1002 -5.053 10.569 6.005 1.00 0.00 C HETATM 803 N9 ADN A1002 -6.102 9.567 5.799 1.00 0.00 N HETATM 804 C8 ADN A1002 -7.305 9.440 6.457 1.00 0.00 C HETATM 805 N7 ADN A1002 -8.039 8.434 6.047 1.00 0.00 N HETATM 806 C5 ADN A1002 -7.275 7.853 5.049 1.00 0.00 C HETATM 807 C6 ADN A1002 -7.484 6.725 4.195 1.00 0.00 C HETATM 808 N6 ADN A1002 -8.582 5.969 4.236 1.00 0.00 N HETATM 809 N1 ADN A1002 -6.503 6.405 3.293 1.00 0.00 N HETATM 810 C2 ADN A1002 -5.381 7.174 3.246 1.00 0.00 C HETATM 811 N3 ADN A1002 -5.075 8.259 3.999 1.00 0.00 N HETATM 812 C4 ADN A1002 -6.071 8.543 4.883 1.00 0.00 C HETATM 0 HO5' ADN A1002 -7.668 14.248 8.998 1.00 0.00 H new HETATM 0 HO3' ADN A1002 -4.927 14.159 5.026 1.00 0.00 H new HETATM 0 HN62 ADN A1002 -8.679 5.175 3.603 1.00 0.00 H new HETATM 0 HN61 ADN A1002 -9.325 6.185 4.901 1.00 0.00 H new HETATM 0 H5'2 ADN A1002 -6.167 12.496 9.321 1.00 0.00 H new HETATM 0 H5'1 ADN A1002 -7.431 12.081 8.181 1.00 0.00 H new HETATM 0 H8 ADN A1002 -7.620 10.118 7.251 1.00 0.00 H new HETATM 0 H4' ADN A1002 -4.730 13.185 7.499 1.00 0.00 H new HETATM 0 H3' ADN A1002 -7.068 12.540 5.715 1.00 0.00 H new HETATM 0 H2' ADN A1002 -5.483 11.534 4.053 1.00 0.00 H new HETATM 0 H2 ADN A1002 -4.633 6.880 2.509 1.00 0.00 H new HETATM 0 H1' ADN A1002 -4.116 10.046 5.815 1.00 0.00 H new HETATM 825 O5' RIB A1003 -2.118 15.085 1.054 1.00 0.00 O HETATM 826 C5' RIB A1003 -1.695 13.728 0.957 1.00 0.00 C HETATM 827 C4' RIB A1003 -1.650 13.095 2.327 1.00 0.00 C HETATM 828 O4' RIB A1003 -2.930 13.288 2.986 1.00 0.00 O HETATM 829 C3' RIB A1003 -1.395 11.595 2.352 1.00 0.00 C HETATM 830 O3' RIB A1003 -0.004 11.306 2.437 1.00 0.00 O HETATM 831 C2' RIB A1003 -2.147 11.138 3.596 1.00 0.00 C HETATM 832 O2' RIB A1003 -1.382 11.382 4.760 1.00 0.00 O HETATM 833 C1' RIB A1003 -3.356 12.072 3.570 1.00 0.00 C HETATM 0 HO5' RIB A1003 -2.730 15.183 1.813 1.00 0.00 H new HETATM 0 HO3' RIB A1003 0.256 11.222 3.378 1.00 0.00 H new HETATM 0 HO2' RIB A1003 -1.956 11.768 5.454 1.00 0.00 H new HETATM 0 H5'2 RIB A1003 -2.377 13.172 0.314 1.00 0.00 H new HETATM 0 H5'1 RIB A1003 -0.710 13.679 0.494 1.00 0.00 H new HETATM 0 H4' RIB A1003 -0.811 13.585 2.821 1.00 0.00 H new HETATM 0 H3' RIB A1003 -1.728 11.087 1.447 1.00 0.00 H new HETATM 0 H2' RIB A1003 -2.386 10.075 3.606 1.00 0.00 H new