USER MOD reduce.3.24.130724 H: found=0, std=0, add=349, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 349 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 373 HIS HE2 : A 373 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 377 HIS HE2 : A 377 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Single : A 344 SER OG : rot 180:sc= 0 USER MOD Single : A 345 SER OG : rot 180:sc= 0 USER MOD Single : A 347 SER OG : rot 180:sc= 0 USER MOD Single : A 348 SER OG : rot 180:sc= 0 USER MOD Single : A 351 THR OG1 : rot 180:sc= 0 USER MOD Single : A 353 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 354 GLN : amide:sc= -0.0668 X(o=-0.067,f=0) USER MOD Single : A 362 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 368 TYR OH : rot 180:sc= 0 USER MOD Single : A 369 HIS : no HD1:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 371 ASN : amide:sc= -1.02 K(o=-1,f=-3.8!) USER MOD Single : A 374 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 376 SER OG : rot 180:sc= 0 USER MOD Single : A 378 SER OG : rot 180:sc= 0 USER MOD Single : A 381 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.159) USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 384 SER OG : rot 180:sc= 0 USER MOD Single : A 385 SER OG : rot 180:sc= 0 USER MOD Single : A 388 SER OG : rot 180:sc= 0 USER MOD Single : A 389 SER OG : rot 180:sc= -0.138 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 343 6.806 -36.668 -17.154 1.00 0.00 N ATOM 2 CA GLY A 343 7.263 -36.232 -15.848 1.00 0.00 C ATOM 3 C GLY A 343 8.427 -35.265 -15.933 1.00 0.00 C ATOM 4 O GLY A 343 9.587 -35.669 -15.853 1.00 0.00 O ATOM 0 HA2 GLY A 343 6.438 -35.756 -15.318 1.00 0.00 H new ATOM 0 HA3 GLY A 343 7.559 -37.102 -15.261 1.00 0.00 H new ATOM 8 N SER A 344 8.118 -33.982 -16.098 1.00 0.00 N ATOM 9 CA SER A 344 9.147 -32.955 -16.200 1.00 0.00 C ATOM 10 C SER A 344 9.885 -32.791 -14.874 1.00 0.00 C ATOM 11 O SER A 344 9.637 -33.526 -13.919 1.00 0.00 O ATOM 12 CB SER A 344 8.526 -31.621 -16.619 1.00 0.00 C ATOM 13 OG SER A 344 7.684 -31.108 -15.601 1.00 0.00 O ATOM 0 H SER A 344 7.163 -33.630 -16.164 1.00 0.00 H new ATOM 0 HA SER A 344 9.864 -33.268 -16.959 1.00 0.00 H new ATOM 0 HB2 SER A 344 9.315 -30.902 -16.839 1.00 0.00 H new ATOM 0 HB3 SER A 344 7.953 -31.755 -17.536 1.00 0.00 H new ATOM 0 HG SER A 344 7.301 -30.254 -15.893 1.00 0.00 H new ATOM 19 N SER A 345 10.793 -31.821 -14.825 1.00 0.00 N ATOM 20 CA SER A 345 11.570 -31.562 -13.619 1.00 0.00 C ATOM 21 C SER A 345 11.583 -30.073 -13.291 1.00 0.00 C ATOM 22 O SER A 345 12.644 -29.460 -13.177 1.00 0.00 O ATOM 23 CB SER A 345 13.003 -32.071 -13.792 1.00 0.00 C ATOM 24 OG SER A 345 13.017 -33.429 -14.197 1.00 0.00 O ATOM 0 H SER A 345 11.008 -31.202 -15.607 1.00 0.00 H new ATOM 0 HA SER A 345 11.100 -32.094 -12.792 1.00 0.00 H new ATOM 0 HB2 SER A 345 13.521 -31.462 -14.533 1.00 0.00 H new ATOM 0 HB3 SER A 345 13.546 -31.963 -12.853 1.00 0.00 H new ATOM 0 HG SER A 345 13.944 -33.730 -14.302 1.00 0.00 H new ATOM 30 N GLY A 346 10.395 -29.496 -13.140 1.00 0.00 N ATOM 31 CA GLY A 346 10.290 -28.083 -12.826 1.00 0.00 C ATOM 32 C GLY A 346 8.947 -27.720 -12.224 1.00 0.00 C ATOM 33 O GLY A 346 7.965 -28.439 -12.403 1.00 0.00 O ATOM 0 H GLY A 346 9.503 -29.982 -13.230 1.00 0.00 H new ATOM 0 HA2 GLY A 346 11.083 -27.809 -12.130 1.00 0.00 H new ATOM 0 HA3 GLY A 346 10.447 -27.500 -13.733 1.00 0.00 H new ATOM 37 N SER A 347 8.905 -26.602 -11.507 1.00 0.00 N ATOM 38 CA SER A 347 7.673 -26.147 -10.872 1.00 0.00 C ATOM 39 C SER A 347 7.308 -24.741 -11.338 1.00 0.00 C ATOM 40 O SER A 347 8.098 -23.807 -11.204 1.00 0.00 O ATOM 41 CB SER A 347 7.821 -26.171 -9.350 1.00 0.00 C ATOM 42 OG SER A 347 7.437 -27.427 -8.819 1.00 0.00 O ATOM 0 H SER A 347 9.709 -25.994 -11.351 1.00 0.00 H new ATOM 0 HA SER A 347 6.871 -26.826 -11.163 1.00 0.00 H new ATOM 0 HB2 SER A 347 8.855 -25.959 -9.079 1.00 0.00 H new ATOM 0 HB3 SER A 347 7.209 -25.384 -8.910 1.00 0.00 H new ATOM 0 HG SER A 347 7.543 -27.416 -7.845 1.00 0.00 H new ATOM 48 N SER A 348 6.105 -24.599 -11.885 1.00 0.00 N ATOM 49 CA SER A 348 5.636 -23.308 -12.375 1.00 0.00 C ATOM 50 C SER A 348 4.130 -23.166 -12.174 1.00 0.00 C ATOM 51 O SER A 348 3.365 -24.086 -12.461 1.00 0.00 O ATOM 52 CB SER A 348 5.982 -23.144 -13.856 1.00 0.00 C ATOM 53 OG SER A 348 5.432 -24.198 -14.628 1.00 0.00 O ATOM 0 H SER A 348 5.438 -25.362 -12.000 1.00 0.00 H new ATOM 0 HA SER A 348 6.137 -22.526 -11.804 1.00 0.00 H new ATOM 0 HB2 SER A 348 5.603 -22.188 -14.218 1.00 0.00 H new ATOM 0 HB3 SER A 348 7.065 -23.125 -13.980 1.00 0.00 H new ATOM 0 HG SER A 348 5.666 -24.069 -15.571 1.00 0.00 H new ATOM 59 N GLY A 349 3.712 -22.005 -11.678 1.00 0.00 N ATOM 60 CA GLY A 349 2.300 -21.763 -11.447 1.00 0.00 C ATOM 61 C GLY A 349 2.049 -20.466 -10.704 1.00 0.00 C ATOM 62 O GLY A 349 2.883 -20.024 -9.914 1.00 0.00 O ATOM 0 H GLY A 349 4.326 -21.228 -11.432 1.00 0.00 H new ATOM 0 HA2 GLY A 349 1.778 -21.737 -12.403 1.00 0.00 H new ATOM 0 HA3 GLY A 349 1.881 -22.592 -10.877 1.00 0.00 H new ATOM 66 N ARG A 350 0.897 -19.854 -10.958 1.00 0.00 N ATOM 67 CA ARG A 350 0.539 -18.598 -10.309 1.00 0.00 C ATOM 68 C ARG A 350 -0.859 -18.678 -9.703 1.00 0.00 C ATOM 69 O ARG A 350 -1.582 -17.682 -9.648 1.00 0.00 O ATOM 70 CB ARG A 350 0.608 -17.444 -11.311 1.00 0.00 C ATOM 71 CG ARG A 350 -0.385 -17.570 -12.454 1.00 0.00 C ATOM 72 CD ARG A 350 0.216 -18.319 -13.634 1.00 0.00 C ATOM 73 NE ARG A 350 -0.796 -19.052 -14.389 1.00 0.00 N ATOM 74 CZ ARG A 350 -0.618 -19.478 -15.635 1.00 0.00 C ATOM 75 NH1 ARG A 350 0.527 -19.244 -16.262 1.00 0.00 N ATOM 76 NH2 ARG A 350 -1.586 -20.139 -16.256 1.00 0.00 N ATOM 0 H ARG A 350 0.195 -20.207 -11.609 1.00 0.00 H new ATOM 0 HA ARG A 350 1.254 -18.416 -9.506 1.00 0.00 H new ATOM 0 HB2 ARG A 350 0.427 -16.506 -10.785 1.00 0.00 H new ATOM 0 HB3 ARG A 350 1.616 -17.390 -11.721 1.00 0.00 H new ATOM 0 HG2 ARG A 350 -1.277 -18.091 -12.107 1.00 0.00 H new ATOM 0 HG3 ARG A 350 -0.701 -16.577 -12.774 1.00 0.00 H new ATOM 0 HD2 ARG A 350 0.719 -17.612 -14.294 1.00 0.00 H new ATOM 0 HD3 ARG A 350 0.974 -19.014 -13.274 1.00 0.00 H new ATOM 0 HE ARG A 350 -1.688 -19.248 -13.935 1.00 0.00 H new ATOM 0 HH11 ARG A 350 1.274 -18.736 -15.788 1.00 0.00 H new ATOM 0 HH12 ARG A 350 0.661 -19.572 -17.218 1.00 0.00 H new ATOM 0 HH21 ARG A 350 -2.468 -20.321 -15.777 1.00 0.00 H new ATOM 0 HH22 ARG A 350 -1.448 -20.466 -17.212 1.00 0.00 H new ATOM 90 N THR A 351 -1.235 -19.870 -9.251 1.00 0.00 N ATOM 91 CA THR A 351 -2.547 -20.080 -8.651 1.00 0.00 C ATOM 92 C THR A 351 -2.608 -19.500 -7.243 1.00 0.00 C ATOM 93 O THR A 351 -1.600 -19.454 -6.537 1.00 0.00 O ATOM 94 CB THR A 351 -2.904 -21.578 -8.593 1.00 0.00 C ATOM 95 OG1 THR A 351 -1.875 -22.301 -7.908 1.00 0.00 O ATOM 96 CG2 THR A 351 -3.085 -22.146 -9.992 1.00 0.00 C ATOM 0 H THR A 351 -0.650 -20.705 -9.289 1.00 0.00 H new ATOM 0 HA THR A 351 -3.270 -19.565 -9.284 1.00 0.00 H new ATOM 0 HB THR A 351 -3.844 -21.684 -8.051 1.00 0.00 H new ATOM 0 HG1 THR A 351 -2.110 -23.252 -7.874 1.00 0.00 H new ATOM 0 HG21 THR A 351 -3.336 -23.205 -9.925 1.00 0.00 H new ATOM 0 HG22 THR A 351 -3.889 -21.613 -10.500 1.00 0.00 H new ATOM 0 HG23 THR A 351 -2.159 -22.028 -10.555 1.00 0.00 H new ATOM 104 N ARG A 352 -3.795 -19.058 -6.841 1.00 0.00 N ATOM 105 CA ARG A 352 -3.986 -18.480 -5.516 1.00 0.00 C ATOM 106 C ARG A 352 -3.035 -17.308 -5.292 1.00 0.00 C ATOM 107 O ARG A 352 -2.483 -17.141 -4.204 1.00 0.00 O ATOM 108 CB ARG A 352 -3.767 -19.542 -4.436 1.00 0.00 C ATOM 109 CG ARG A 352 -4.926 -20.515 -4.296 1.00 0.00 C ATOM 110 CD ARG A 352 -6.105 -19.879 -3.576 1.00 0.00 C ATOM 111 NE ARG A 352 -5.775 -19.520 -2.199 1.00 0.00 N ATOM 112 CZ ARG A 352 -6.560 -18.778 -1.425 1.00 0.00 C ATOM 113 NH1 ARG A 352 -7.713 -18.319 -1.890 1.00 0.00 N ATOM 114 NH2 ARG A 352 -6.191 -18.495 -0.182 1.00 0.00 N ATOM 0 H ARG A 352 -4.639 -19.089 -7.413 1.00 0.00 H new ATOM 0 HA ARG A 352 -5.010 -18.112 -5.452 1.00 0.00 H new ATOM 0 HB2 ARG A 352 -2.860 -20.101 -4.666 1.00 0.00 H new ATOM 0 HB3 ARG A 352 -3.602 -19.047 -3.479 1.00 0.00 H new ATOM 0 HG2 ARG A 352 -5.241 -20.852 -5.284 1.00 0.00 H new ATOM 0 HG3 ARG A 352 -4.597 -21.398 -3.748 1.00 0.00 H new ATOM 0 HD2 ARG A 352 -6.423 -18.988 -4.117 1.00 0.00 H new ATOM 0 HD3 ARG A 352 -6.948 -20.571 -3.579 1.00 0.00 H new ATOM 0 HE ARG A 352 -4.894 -19.857 -1.811 1.00 0.00 H new ATOM 0 HH11 ARG A 352 -8.000 -18.535 -2.845 1.00 0.00 H new ATOM 0 HH12 ARG A 352 -8.313 -17.750 -1.293 1.00 0.00 H new ATOM 0 HH21 ARG A 352 -5.305 -18.847 0.180 1.00 0.00 H new ATOM 0 HH22 ARG A 352 -6.794 -17.925 0.412 1.00 0.00 H new ATOM 128 N LYS A 353 -2.847 -16.499 -6.329 1.00 0.00 N ATOM 129 CA LYS A 353 -1.963 -15.342 -6.247 1.00 0.00 C ATOM 130 C LYS A 353 -2.489 -14.327 -5.237 1.00 0.00 C ATOM 131 O LYS A 353 -3.614 -14.446 -4.753 1.00 0.00 O ATOM 132 CB LYS A 353 -1.822 -14.684 -7.621 1.00 0.00 C ATOM 133 CG LYS A 353 -3.129 -14.142 -8.174 1.00 0.00 C ATOM 134 CD LYS A 353 -3.358 -12.701 -7.750 1.00 0.00 C ATOM 135 CE LYS A 353 -4.435 -12.036 -8.594 1.00 0.00 C ATOM 136 NZ LYS A 353 -3.893 -11.531 -9.886 1.00 0.00 N ATOM 0 H LYS A 353 -3.295 -16.623 -7.237 1.00 0.00 H new ATOM 0 HA LYS A 353 -0.984 -15.686 -5.914 1.00 0.00 H new ATOM 0 HB2 LYS A 353 -1.101 -13.869 -7.552 1.00 0.00 H new ATOM 0 HB3 LYS A 353 -1.414 -15.412 -8.323 1.00 0.00 H new ATOM 0 HG2 LYS A 353 -3.119 -14.205 -9.262 1.00 0.00 H new ATOM 0 HG3 LYS A 353 -3.957 -14.760 -7.827 1.00 0.00 H new ATOM 0 HD2 LYS A 353 -3.647 -12.671 -6.700 1.00 0.00 H new ATOM 0 HD3 LYS A 353 -2.427 -12.142 -7.840 1.00 0.00 H new ATOM 0 HE2 LYS A 353 -5.235 -12.750 -8.790 1.00 0.00 H new ATOM 0 HE3 LYS A 353 -4.875 -11.209 -8.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 353 -4.657 -11.085 -10.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 353 -3.147 -10.831 -9.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 353 -3.496 -12.324 -10.430 1.00 0.00 H new ATOM 150 N GLN A 354 -1.667 -13.329 -4.926 1.00 0.00 N ATOM 151 CA GLN A 354 -2.051 -12.293 -3.974 1.00 0.00 C ATOM 152 C GLN A 354 -1.084 -11.116 -4.032 1.00 0.00 C ATOM 153 O GLN A 354 -0.109 -11.136 -4.783 1.00 0.00 O ATOM 154 CB GLN A 354 -2.093 -12.865 -2.556 1.00 0.00 C ATOM 155 CG GLN A 354 -0.721 -13.197 -1.992 1.00 0.00 C ATOM 156 CD GLN A 354 -0.769 -14.294 -0.948 1.00 0.00 C ATOM 157 OE1 GLN A 354 -0.075 -15.305 -1.060 1.00 0.00 O ATOM 158 NE2 GLN A 354 -1.591 -14.101 0.077 1.00 0.00 N ATOM 0 H GLN A 354 -0.732 -13.216 -5.319 1.00 0.00 H new ATOM 0 HA GLN A 354 -3.045 -11.936 -4.244 1.00 0.00 H new ATOM 0 HB2 GLN A 354 -2.583 -12.147 -1.898 1.00 0.00 H new ATOM 0 HB3 GLN A 354 -2.705 -13.767 -2.555 1.00 0.00 H new ATOM 0 HG2 GLN A 354 -0.063 -13.503 -2.805 1.00 0.00 H new ATOM 0 HG3 GLN A 354 -0.287 -12.300 -1.551 1.00 0.00 H new ATOM 0 HE21 GLN A 354 -2.148 -13.248 0.130 1.00 0.00 H new ATOM 0 HE22 GLN A 354 -1.665 -14.805 0.811 1.00 0.00 H new ATOM 167 N VAL A 355 -1.360 -10.089 -3.234 1.00 0.00 N ATOM 168 CA VAL A 355 -0.514 -8.903 -3.193 1.00 0.00 C ATOM 169 C VAL A 355 0.353 -8.888 -1.939 1.00 0.00 C ATOM 170 O VAL A 355 -0.082 -9.308 -0.867 1.00 0.00 O ATOM 171 CB VAL A 355 -1.354 -7.613 -3.239 1.00 0.00 C ATOM 172 CG1 VAL A 355 -0.454 -6.387 -3.194 1.00 0.00 C ATOM 173 CG2 VAL A 355 -2.233 -7.593 -4.480 1.00 0.00 C ATOM 0 H VAL A 355 -2.164 -10.055 -2.607 1.00 0.00 H new ATOM 0 HA VAL A 355 0.128 -8.942 -4.073 1.00 0.00 H new ATOM 0 HB VAL A 355 -2.002 -7.591 -2.363 1.00 0.00 H new ATOM 0 HG11 VAL A 355 -1.066 -5.485 -3.227 1.00 0.00 H new ATOM 0 HG12 VAL A 355 0.128 -6.397 -2.273 1.00 0.00 H new ATOM 0 HG13 VAL A 355 0.221 -6.400 -4.050 1.00 0.00 H new ATOM 0 HG21 VAL A 355 -2.819 -6.674 -4.496 1.00 0.00 H new ATOM 0 HG22 VAL A 355 -1.606 -7.639 -5.371 1.00 0.00 H new ATOM 0 HG23 VAL A 355 -2.904 -8.452 -4.464 1.00 0.00 H new ATOM 183 N ALA A 356 1.581 -8.399 -2.081 1.00 0.00 N ATOM 184 CA ALA A 356 2.508 -8.327 -0.959 1.00 0.00 C ATOM 185 C ALA A 356 3.206 -6.972 -0.910 1.00 0.00 C ATOM 186 O ALA A 356 4.246 -6.774 -1.538 1.00 0.00 O ATOM 187 CB ALA A 356 3.533 -9.448 -1.048 1.00 0.00 C ATOM 0 H ALA A 356 1.956 -8.047 -2.962 1.00 0.00 H new ATOM 0 HA ALA A 356 1.936 -8.445 -0.039 1.00 0.00 H new ATOM 0 HB1 ALA A 356 4.219 -9.382 -0.203 1.00 0.00 H new ATOM 0 HB2 ALA A 356 3.022 -10.411 -1.026 1.00 0.00 H new ATOM 0 HB3 ALA A 356 4.093 -9.356 -1.978 1.00 0.00 H new ATOM 193 N CYS A 357 2.626 -6.040 -0.160 1.00 0.00 N ATOM 194 CA CYS A 357 3.191 -4.702 -0.030 1.00 0.00 C ATOM 195 C CYS A 357 4.657 -4.769 0.386 1.00 0.00 C ATOM 196 O CYS A 357 4.974 -5.109 1.526 1.00 0.00 O ATOM 197 CB CYS A 357 2.396 -3.888 0.992 1.00 0.00 C ATOM 198 SG CYS A 357 2.736 -2.099 0.944 1.00 0.00 S ATOM 0 H CYS A 357 1.765 -6.187 0.367 1.00 0.00 H new ATOM 0 HA CYS A 357 3.130 -4.212 -1.002 1.00 0.00 H new ATOM 0 HB2 CYS A 357 1.332 -4.049 0.821 1.00 0.00 H new ATOM 0 HB3 CYS A 357 2.618 -4.263 1.991 1.00 0.00 H new ATOM 203 N GLU A 358 5.547 -4.442 -0.546 1.00 0.00 N ATOM 204 CA GLU A 358 6.980 -4.466 -0.275 1.00 0.00 C ATOM 205 C GLU A 358 7.408 -3.222 0.498 1.00 0.00 C ATOM 206 O GLU A 358 8.412 -3.236 1.211 1.00 0.00 O ATOM 207 CB GLU A 358 7.767 -4.564 -1.583 1.00 0.00 C ATOM 208 CG GLU A 358 9.230 -4.926 -1.388 1.00 0.00 C ATOM 209 CD GLU A 358 9.419 -6.354 -0.913 1.00 0.00 C ATOM 210 OE1 GLU A 358 8.405 -7.068 -0.766 1.00 0.00 O ATOM 211 OE2 GLU A 358 10.579 -6.756 -0.689 1.00 0.00 O ATOM 0 H GLU A 358 5.301 -4.158 -1.494 1.00 0.00 H new ATOM 0 HA GLU A 358 7.194 -5.343 0.336 1.00 0.00 H new ATOM 0 HB2 GLU A 358 7.299 -5.311 -2.224 1.00 0.00 H new ATOM 0 HB3 GLU A 358 7.704 -3.610 -2.107 1.00 0.00 H new ATOM 0 HG2 GLU A 358 9.764 -4.786 -2.328 1.00 0.00 H new ATOM 0 HG3 GLU A 358 9.676 -4.244 -0.664 1.00 0.00 H new ATOM 218 N ILE A 359 6.641 -2.147 0.349 1.00 0.00 N ATOM 219 CA ILE A 359 6.940 -0.895 1.033 1.00 0.00 C ATOM 220 C ILE A 359 7.140 -1.119 2.528 1.00 0.00 C ATOM 221 O ILE A 359 8.192 -0.795 3.080 1.00 0.00 O ATOM 222 CB ILE A 359 5.820 0.141 0.826 1.00 0.00 C ATOM 223 CG1 ILE A 359 5.617 0.415 -0.666 1.00 0.00 C ATOM 224 CG2 ILE A 359 6.146 1.429 1.567 1.00 0.00 C ATOM 225 CD1 ILE A 359 4.406 1.270 -0.964 1.00 0.00 C ATOM 0 H ILE A 359 5.808 -2.118 -0.239 1.00 0.00 H new ATOM 0 HA ILE A 359 7.863 -0.511 0.599 1.00 0.00 H new ATOM 0 HB ILE A 359 4.892 -0.263 1.231 1.00 0.00 H new ATOM 0 HG12 ILE A 359 6.506 0.908 -1.061 1.00 0.00 H new ATOM 0 HG13 ILE A 359 5.519 -0.535 -1.192 1.00 0.00 H new ATOM 0 HG21 ILE A 359 5.345 2.151 1.411 1.00 0.00 H new ATOM 0 HG22 ILE A 359 6.244 1.221 2.632 1.00 0.00 H new ATOM 0 HG23 ILE A 359 7.083 1.839 1.189 1.00 0.00 H new ATOM 0 HD11 ILE A 359 4.325 1.423 -2.040 1.00 0.00 H new ATOM 0 HD12 ILE A 359 3.509 0.770 -0.600 1.00 0.00 H new ATOM 0 HD13 ILE A 359 4.510 2.235 -0.467 1.00 0.00 H new ATOM 237 N CYS A 360 6.124 -1.676 3.178 1.00 0.00 N ATOM 238 CA CYS A 360 6.188 -1.946 4.610 1.00 0.00 C ATOM 239 C CYS A 360 6.416 -3.431 4.874 1.00 0.00 C ATOM 240 O CYS A 360 7.084 -3.806 5.836 1.00 0.00 O ATOM 241 CB CYS A 360 4.898 -1.487 5.294 1.00 0.00 C ATOM 242 SG CYS A 360 3.387 -2.248 4.619 1.00 0.00 S ATOM 0 H CYS A 360 5.246 -1.949 2.736 1.00 0.00 H new ATOM 0 HA CYS A 360 7.029 -1.389 5.023 1.00 0.00 H new ATOM 0 HB2 CYS A 360 4.963 -1.715 6.358 1.00 0.00 H new ATOM 0 HB3 CYS A 360 4.818 -0.404 5.204 1.00 0.00 H new ATOM 247 N GLY A 361 5.854 -4.273 4.011 1.00 0.00 N ATOM 248 CA GLY A 361 6.008 -5.708 4.168 1.00 0.00 C ATOM 249 C GLY A 361 4.772 -6.362 4.755 1.00 0.00 C ATOM 250 O GLY A 361 4.827 -6.959 5.830 1.00 0.00 O ATOM 0 H GLY A 361 5.295 -3.987 3.207 1.00 0.00 H new ATOM 0 HA2 GLY A 361 6.226 -6.155 3.198 1.00 0.00 H new ATOM 0 HA3 GLY A 361 6.863 -5.910 4.812 1.00 0.00 H new ATOM 254 N LYS A 362 3.653 -6.250 4.048 1.00 0.00 N ATOM 255 CA LYS A 362 2.398 -6.835 4.503 1.00 0.00 C ATOM 256 C LYS A 362 1.658 -7.503 3.349 1.00 0.00 C ATOM 257 O LYS A 362 1.650 -6.994 2.227 1.00 0.00 O ATOM 258 CB LYS A 362 1.511 -5.760 5.137 1.00 0.00 C ATOM 259 CG LYS A 362 1.972 -5.328 6.518 1.00 0.00 C ATOM 260 CD LYS A 362 0.960 -4.408 7.181 1.00 0.00 C ATOM 261 CE LYS A 362 1.636 -3.423 8.122 1.00 0.00 C ATOM 262 NZ LYS A 362 2.225 -4.103 9.309 1.00 0.00 N ATOM 0 H LYS A 362 3.590 -5.759 3.156 1.00 0.00 H new ATOM 0 HA LYS A 362 2.630 -7.594 5.250 1.00 0.00 H new ATOM 0 HB2 LYS A 362 1.486 -4.889 4.482 1.00 0.00 H new ATOM 0 HB3 LYS A 362 0.490 -6.137 5.205 1.00 0.00 H new ATOM 0 HG2 LYS A 362 2.129 -6.208 7.142 1.00 0.00 H new ATOM 0 HG3 LYS A 362 2.932 -4.818 6.439 1.00 0.00 H new ATOM 0 HD2 LYS A 362 0.407 -3.862 6.416 1.00 0.00 H new ATOM 0 HD3 LYS A 362 0.234 -5.003 7.735 1.00 0.00 H new ATOM 0 HE2 LYS A 362 2.419 -2.887 7.585 1.00 0.00 H new ATOM 0 HE3 LYS A 362 0.910 -2.680 8.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 362 2.676 -3.397 9.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 362 1.474 -4.594 9.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 362 2.936 -4.794 8.996 1.00 0.00 H new ATOM 276 N ILE A 363 1.037 -8.644 3.631 1.00 0.00 N ATOM 277 CA ILE A 363 0.293 -9.379 2.616 1.00 0.00 C ATOM 278 C ILE A 363 -1.170 -8.950 2.588 1.00 0.00 C ATOM 279 O ILE A 363 -1.808 -8.814 3.632 1.00 0.00 O ATOM 280 CB ILE A 363 0.366 -10.899 2.856 1.00 0.00 C ATOM 281 CG1 ILE A 363 1.824 -11.359 2.913 1.00 0.00 C ATOM 282 CG2 ILE A 363 -0.388 -11.644 1.764 1.00 0.00 C ATOM 283 CD1 ILE A 363 2.585 -11.115 1.628 1.00 0.00 C ATOM 0 H ILE A 363 1.035 -9.079 4.554 1.00 0.00 H new ATOM 0 HA ILE A 363 0.755 -9.148 1.656 1.00 0.00 H new ATOM 0 HB ILE A 363 -0.104 -11.124 3.814 1.00 0.00 H new ATOM 0 HG12 ILE A 363 2.328 -10.841 3.729 1.00 0.00 H new ATOM 0 HG13 ILE A 363 1.852 -12.423 3.146 1.00 0.00 H new ATOM 0 HG21 ILE A 363 -0.328 -12.717 1.947 1.00 0.00 H new ATOM 0 HG22 ILE A 363 -1.433 -11.334 1.767 1.00 0.00 H new ATOM 0 HG23 ILE A 363 0.056 -11.416 0.795 1.00 0.00 H new ATOM 0 HD11 ILE A 363 3.611 -11.465 1.741 1.00 0.00 H new ATOM 0 HD12 ILE A 363 2.104 -11.655 0.812 1.00 0.00 H new ATOM 0 HD13 ILE A 363 2.588 -10.048 1.404 1.00 0.00 H new ATOM 295 N PHE A 364 -1.695 -8.739 1.386 1.00 0.00 N ATOM 296 CA PHE A 364 -3.084 -8.325 1.221 1.00 0.00 C ATOM 297 C PHE A 364 -3.820 -9.260 0.265 1.00 0.00 C ATOM 298 O PHE A 364 -3.203 -9.924 -0.569 1.00 0.00 O ATOM 299 CB PHE A 364 -3.152 -6.888 0.700 1.00 0.00 C ATOM 300 CG PHE A 364 -2.636 -5.871 1.678 1.00 0.00 C ATOM 301 CD1 PHE A 364 -3.458 -5.372 2.677 1.00 0.00 C ATOM 302 CD2 PHE A 364 -1.330 -5.415 1.600 1.00 0.00 C ATOM 303 CE1 PHE A 364 -2.986 -4.436 3.577 1.00 0.00 C ATOM 304 CE2 PHE A 364 -0.853 -4.480 2.498 1.00 0.00 C ATOM 305 CZ PHE A 364 -1.681 -3.990 3.489 1.00 0.00 C ATOM 0 H PHE A 364 -1.180 -8.848 0.512 1.00 0.00 H new ATOM 0 HA PHE A 364 -3.570 -8.374 2.196 1.00 0.00 H new ATOM 0 HB2 PHE A 364 -2.577 -6.817 -0.223 1.00 0.00 H new ATOM 0 HB3 PHE A 364 -4.186 -6.649 0.451 1.00 0.00 H new ATOM 0 HD1 PHE A 364 -4.478 -5.719 2.752 1.00 0.00 H new ATOM 0 HD2 PHE A 364 -0.677 -5.795 0.828 1.00 0.00 H new ATOM 0 HE1 PHE A 364 -3.637 -4.053 4.349 1.00 0.00 H new ATOM 0 HE2 PHE A 364 0.167 -4.132 2.425 1.00 0.00 H new ATOM 0 HZ PHE A 364 -1.310 -3.260 4.193 1.00 0.00 H new ATOM 315 N ARG A 365 -5.142 -9.306 0.392 1.00 0.00 N ATOM 316 CA ARG A 365 -5.962 -10.160 -0.459 1.00 0.00 C ATOM 317 C ARG A 365 -5.831 -9.754 -1.924 1.00 0.00 C ATOM 318 O ARG A 365 -5.364 -10.533 -2.755 1.00 0.00 O ATOM 319 CB ARG A 365 -7.428 -10.088 -0.028 1.00 0.00 C ATOM 320 CG ARG A 365 -8.258 -11.274 -0.491 1.00 0.00 C ATOM 321 CD ARG A 365 -7.870 -12.547 0.245 1.00 0.00 C ATOM 322 NE ARG A 365 -8.099 -12.439 1.683 1.00 0.00 N ATOM 323 CZ ARG A 365 -7.831 -13.413 2.546 1.00 0.00 C ATOM 324 NH1 ARG A 365 -7.327 -14.562 2.117 1.00 0.00 N ATOM 325 NH2 ARG A 365 -8.068 -13.240 3.840 1.00 0.00 N ATOM 0 H ARG A 365 -5.668 -8.762 1.076 1.00 0.00 H new ATOM 0 HA ARG A 365 -5.608 -11.185 -0.351 1.00 0.00 H new ATOM 0 HB2 ARG A 365 -7.476 -10.024 1.059 1.00 0.00 H new ATOM 0 HB3 ARG A 365 -7.869 -9.172 -0.421 1.00 0.00 H new ATOM 0 HG2 ARG A 365 -9.315 -11.066 -0.327 1.00 0.00 H new ATOM 0 HG3 ARG A 365 -8.124 -11.417 -1.563 1.00 0.00 H new ATOM 0 HD2 ARG A 365 -8.444 -13.384 -0.152 1.00 0.00 H new ATOM 0 HD3 ARG A 365 -6.818 -12.766 0.061 1.00 0.00 H new ATOM 0 HE ARG A 365 -8.486 -11.568 2.045 1.00 0.00 H new ATOM 0 HH11 ARG A 365 -7.144 -14.699 1.123 1.00 0.00 H new ATOM 0 HH12 ARG A 365 -7.122 -15.309 2.781 1.00 0.00 H new ATOM 0 HH21 ARG A 365 -8.457 -12.358 4.174 1.00 0.00 H new ATOM 0 HH22 ARG A 365 -7.862 -13.989 4.501 1.00 0.00 H new ATOM 339 N ASP A 366 -6.246 -8.530 -2.233 1.00 0.00 N ATOM 340 CA ASP A 366 -6.175 -8.021 -3.597 1.00 0.00 C ATOM 341 C ASP A 366 -5.645 -6.591 -3.616 1.00 0.00 C ATOM 342 O ASP A 366 -5.360 -6.009 -2.569 1.00 0.00 O ATOM 343 CB ASP A 366 -7.554 -8.075 -4.257 1.00 0.00 C ATOM 344 CG ASP A 366 -8.286 -9.370 -3.964 1.00 0.00 C ATOM 345 OD1 ASP A 366 -8.933 -9.457 -2.899 1.00 0.00 O ATOM 346 OD2 ASP A 366 -8.211 -10.296 -4.798 1.00 0.00 O ATOM 0 H ASP A 366 -6.635 -7.872 -1.557 1.00 0.00 H new ATOM 0 HA ASP A 366 -5.487 -8.653 -4.159 1.00 0.00 H new ATOM 0 HB2 ASP A 366 -8.154 -7.235 -3.907 1.00 0.00 H new ATOM 0 HB3 ASP A 366 -7.442 -7.960 -5.335 1.00 0.00 H new ATOM 351 N VAL A 367 -5.513 -6.029 -4.814 1.00 0.00 N ATOM 352 CA VAL A 367 -5.016 -4.667 -4.969 1.00 0.00 C ATOM 353 C VAL A 367 -6.002 -3.654 -4.399 1.00 0.00 C ATOM 354 O VAL A 367 -5.614 -2.564 -3.979 1.00 0.00 O ATOM 355 CB VAL A 367 -4.751 -4.332 -6.449 1.00 0.00 C ATOM 356 CG1 VAL A 367 -4.242 -2.906 -6.591 1.00 0.00 C ATOM 357 CG2 VAL A 367 -3.764 -5.322 -7.051 1.00 0.00 C ATOM 0 H VAL A 367 -5.743 -6.496 -5.691 1.00 0.00 H new ATOM 0 HA VAL A 367 -4.078 -4.607 -4.417 1.00 0.00 H new ATOM 0 HB VAL A 367 -5.691 -4.413 -6.996 1.00 0.00 H new ATOM 0 HG11 VAL A 367 -4.060 -2.688 -7.643 1.00 0.00 H new ATOM 0 HG12 VAL A 367 -4.987 -2.213 -6.200 1.00 0.00 H new ATOM 0 HG13 VAL A 367 -3.313 -2.794 -6.032 1.00 0.00 H new ATOM 0 HG21 VAL A 367 -3.588 -5.070 -8.097 1.00 0.00 H new ATOM 0 HG22 VAL A 367 -2.823 -5.276 -6.504 1.00 0.00 H new ATOM 0 HG23 VAL A 367 -4.173 -6.330 -6.984 1.00 0.00 H new ATOM 367 N TYR A 368 -7.278 -4.022 -4.386 1.00 0.00 N ATOM 368 CA TYR A 368 -8.321 -3.145 -3.869 1.00 0.00 C ATOM 369 C TYR A 368 -7.971 -2.648 -2.469 1.00 0.00 C ATOM 370 O TYR A 368 -8.356 -1.548 -2.073 1.00 0.00 O ATOM 371 CB TYR A 368 -9.665 -3.876 -3.841 1.00 0.00 C ATOM 372 CG TYR A 368 -10.848 -2.960 -3.622 1.00 0.00 C ATOM 373 CD1 TYR A 368 -11.170 -2.501 -2.351 1.00 0.00 C ATOM 374 CD2 TYR A 368 -11.643 -2.553 -4.686 1.00 0.00 C ATOM 375 CE1 TYR A 368 -12.251 -1.665 -2.146 1.00 0.00 C ATOM 376 CE2 TYR A 368 -12.725 -1.716 -4.491 1.00 0.00 C ATOM 377 CZ TYR A 368 -13.025 -1.276 -3.219 1.00 0.00 C ATOM 378 OH TYR A 368 -14.101 -0.442 -3.019 1.00 0.00 O ATOM 0 H TYR A 368 -7.615 -4.922 -4.728 1.00 0.00 H new ATOM 0 HA TYR A 368 -8.397 -2.284 -4.533 1.00 0.00 H new ATOM 0 HB2 TYR A 368 -9.799 -4.409 -4.782 1.00 0.00 H new ATOM 0 HB3 TYR A 368 -9.645 -4.625 -3.050 1.00 0.00 H new ATOM 0 HD1 TYR A 368 -10.565 -2.803 -1.509 1.00 0.00 H new ATOM 0 HD2 TYR A 368 -11.411 -2.897 -5.683 1.00 0.00 H new ATOM 0 HE1 TYR A 368 -12.488 -1.318 -1.151 1.00 0.00 H new ATOM 0 HE2 TYR A 368 -13.332 -1.408 -5.330 1.00 0.00 H new ATOM 0 HH TYR A 368 -14.540 -0.263 -3.877 1.00 0.00 H new ATOM 388 N HIS A 369 -7.236 -3.468 -1.724 1.00 0.00 N ATOM 389 CA HIS A 369 -6.832 -3.114 -0.369 1.00 0.00 C ATOM 390 C HIS A 369 -5.495 -2.378 -0.376 1.00 0.00 C ATOM 391 O HIS A 369 -5.254 -1.498 0.452 1.00 0.00 O ATOM 392 CB HIS A 369 -6.733 -4.367 0.501 1.00 0.00 C ATOM 393 CG HIS A 369 -8.040 -5.076 0.681 1.00 0.00 C ATOM 394 ND1 HIS A 369 -9.245 -4.415 0.800 1.00 0.00 N ATOM 395 CD2 HIS A 369 -8.328 -6.396 0.761 1.00 0.00 C ATOM 396 CE1 HIS A 369 -10.216 -5.297 0.946 1.00 0.00 C ATOM 397 NE2 HIS A 369 -9.687 -6.507 0.926 1.00 0.00 N ATOM 0 H HIS A 369 -6.908 -4.382 -2.036 1.00 0.00 H new ATOM 0 HA HIS A 369 -7.590 -2.451 0.048 1.00 0.00 H new ATOM 0 HB2 HIS A 369 -6.015 -5.054 0.054 1.00 0.00 H new ATOM 0 HB3 HIS A 369 -6.342 -4.090 1.480 1.00 0.00 H new ATOM 0 HD2 HIS A 369 -7.621 -7.210 0.705 1.00 0.00 H new ATOM 0 HE1 HIS A 369 -11.265 -5.068 1.062 1.00 0.00 H new ATOM 0 HE2 HIS A 369 -10.204 -7.382 1.018 1.00 0.00 H new ATOM 405 N LEU A 370 -4.629 -2.745 -1.314 1.00 0.00 N ATOM 406 CA LEU A 370 -3.315 -2.121 -1.428 1.00 0.00 C ATOM 407 C LEU A 370 -3.441 -0.662 -1.855 1.00 0.00 C ATOM 408 O LEU A 370 -2.732 0.207 -1.348 1.00 0.00 O ATOM 409 CB LEU A 370 -2.451 -2.885 -2.433 1.00 0.00 C ATOM 410 CG LEU A 370 -1.170 -2.184 -2.887 1.00 0.00 C ATOM 411 CD1 LEU A 370 -0.316 -1.804 -1.687 1.00 0.00 C ATOM 412 CD2 LEU A 370 -0.387 -3.071 -3.843 1.00 0.00 C ATOM 0 H LEU A 370 -4.813 -3.471 -2.006 1.00 0.00 H new ATOM 0 HA LEU A 370 -2.838 -2.155 -0.449 1.00 0.00 H new ATOM 0 HB2 LEU A 370 -2.180 -3.845 -1.993 1.00 0.00 H new ATOM 0 HB3 LEU A 370 -3.056 -3.098 -3.314 1.00 0.00 H new ATOM 0 HG LEU A 370 -1.445 -1.271 -3.415 1.00 0.00 H new ATOM 0 HD11 LEU A 370 0.591 -1.306 -2.029 1.00 0.00 H new ATOM 0 HD12 LEU A 370 -0.877 -1.130 -1.040 1.00 0.00 H new ATOM 0 HD13 LEU A 370 -0.049 -2.703 -1.131 1.00 0.00 H new ATOM 0 HD21 LEU A 370 0.521 -2.556 -4.156 1.00 0.00 H new ATOM 0 HD22 LEU A 370 -0.122 -4.002 -3.341 1.00 0.00 H new ATOM 0 HD23 LEU A 370 -0.998 -3.292 -4.718 1.00 0.00 H new ATOM 424 N ASN A 371 -4.350 -0.400 -2.788 1.00 0.00 N ATOM 425 CA ASN A 371 -4.570 0.955 -3.282 1.00 0.00 C ATOM 426 C ASN A 371 -4.802 1.924 -2.126 1.00 0.00 C ATOM 427 O ASN A 371 -4.138 2.956 -2.026 1.00 0.00 O ATOM 428 CB ASN A 371 -5.767 0.984 -4.235 1.00 0.00 C ATOM 429 CG ASN A 371 -5.428 0.432 -5.606 1.00 0.00 C ATOM 430 OD1 ASN A 371 -4.330 -0.078 -5.828 1.00 0.00 O ATOM 431 ND2 ASN A 371 -6.373 0.533 -6.534 1.00 0.00 N ATOM 0 H ASN A 371 -4.946 -1.108 -3.217 1.00 0.00 H new ATOM 0 HA ASN A 371 -3.676 1.269 -3.822 1.00 0.00 H new ATOM 0 HB2 ASN A 371 -6.584 0.405 -3.805 1.00 0.00 H new ATOM 0 HB3 ASN A 371 -6.122 2.009 -4.337 1.00 0.00 H new ATOM 0 HD21 ASN A 371 -6.203 0.180 -7.476 1.00 0.00 H new ATOM 0 HD22 ASN A 371 -7.269 0.964 -6.305 1.00 0.00 H new ATOM 438 N ARG A 372 -5.748 1.584 -1.257 1.00 0.00 N ATOM 439 CA ARG A 372 -6.068 2.424 -0.109 1.00 0.00 C ATOM 440 C ARG A 372 -4.953 2.370 0.932 1.00 0.00 C ATOM 441 O ARG A 372 -4.663 3.364 1.599 1.00 0.00 O ATOM 442 CB ARG A 372 -7.389 1.981 0.521 1.00 0.00 C ATOM 443 CG ARG A 372 -8.029 3.041 1.404 1.00 0.00 C ATOM 444 CD ARG A 372 -7.559 2.924 2.845 1.00 0.00 C ATOM 445 NE ARG A 372 -7.595 4.208 3.539 1.00 0.00 N ATOM 446 CZ ARG A 372 -8.719 4.838 3.863 1.00 0.00 C ATOM 447 NH1 ARG A 372 -9.893 4.303 3.557 1.00 0.00 N ATOM 448 NH2 ARG A 372 -8.670 6.004 4.494 1.00 0.00 N ATOM 0 H ARG A 372 -6.306 0.733 -1.326 1.00 0.00 H new ATOM 0 HA ARG A 372 -6.166 3.452 -0.459 1.00 0.00 H new ATOM 0 HB2 ARG A 372 -8.087 1.711 -0.271 1.00 0.00 H new ATOM 0 HB3 ARG A 372 -7.216 1.083 1.114 1.00 0.00 H new ATOM 0 HG2 ARG A 372 -7.785 4.032 1.020 1.00 0.00 H new ATOM 0 HG3 ARG A 372 -9.114 2.942 1.365 1.00 0.00 H new ATOM 0 HD2 ARG A 372 -8.188 2.208 3.374 1.00 0.00 H new ATOM 0 HD3 ARG A 372 -6.543 2.530 2.864 1.00 0.00 H new ATOM 0 HE ARG A 372 -6.708 4.646 3.789 1.00 0.00 H new ATOM 0 HH11 ARG A 372 -9.934 3.407 3.072 1.00 0.00 H new ATOM 0 HH12 ARG A 372 -10.755 4.788 3.806 1.00 0.00 H new ATOM 0 HH21 ARG A 372 -7.768 6.418 4.731 1.00 0.00 H new ATOM 0 HH22 ARG A 372 -9.534 6.486 4.742 1.00 0.00 H new ATOM 462 N HIS A 373 -4.330 1.203 1.065 1.00 0.00 N ATOM 463 CA HIS A 373 -3.247 1.019 2.024 1.00 0.00 C ATOM 464 C HIS A 373 -2.051 1.897 1.668 1.00 0.00 C ATOM 465 O HIS A 373 -1.269 2.282 2.537 1.00 0.00 O ATOM 466 CB HIS A 373 -2.821 -0.448 2.069 1.00 0.00 C ATOM 467 CG HIS A 373 -1.593 -0.691 2.893 1.00 0.00 C ATOM 468 ND1 HIS A 373 -1.586 -0.625 4.270 1.00 0.00 N ATOM 469 CD2 HIS A 373 -0.328 -1.002 2.525 1.00 0.00 C ATOM 470 CE1 HIS A 373 -0.369 -0.883 4.714 1.00 0.00 C ATOM 471 NE2 HIS A 373 0.413 -1.116 3.676 1.00 0.00 N ATOM 0 H HIS A 373 -4.557 0.371 0.521 1.00 0.00 H new ATOM 0 HA HIS A 373 -3.612 1.314 3.008 1.00 0.00 H new ATOM 0 HB2 HIS A 373 -3.641 -1.044 2.470 1.00 0.00 H new ATOM 0 HB3 HIS A 373 -2.641 -0.797 1.052 1.00 0.00 H new ATOM 0 HD1 HIS A 373 -2.394 -0.411 4.854 1.00 0.00 H new ATOM 0 HD2 HIS A 373 0.031 -1.136 1.515 1.00 0.00 H new ATOM 0 HE1 HIS A 373 -0.065 -0.900 5.750 1.00 0.00 H new ATOM 479 N LYS A 374 -1.915 2.210 0.384 1.00 0.00 N ATOM 480 CA LYS A 374 -0.815 3.043 -0.089 1.00 0.00 C ATOM 481 C LYS A 374 -1.039 4.504 0.288 1.00 0.00 C ATOM 482 O LYS A 374 -0.085 5.262 0.472 1.00 0.00 O ATOM 483 CB LYS A 374 -0.666 2.914 -1.606 1.00 0.00 C ATOM 484 CG LYS A 374 -0.036 1.604 -2.046 1.00 0.00 C ATOM 485 CD LYS A 374 -0.547 1.170 -3.410 1.00 0.00 C ATOM 486 CE LYS A 374 -0.184 2.180 -4.488 1.00 0.00 C ATOM 487 NZ LYS A 374 -0.102 1.549 -5.834 1.00 0.00 N ATOM 0 H LYS A 374 -2.553 1.899 -0.348 1.00 0.00 H new ATOM 0 HA LYS A 374 0.101 2.698 0.390 1.00 0.00 H new ATOM 0 HB2 LYS A 374 -1.649 3.008 -2.068 1.00 0.00 H new ATOM 0 HB3 LYS A 374 -0.059 3.741 -1.975 1.00 0.00 H new ATOM 0 HG2 LYS A 374 1.048 1.714 -2.081 1.00 0.00 H new ATOM 0 HG3 LYS A 374 -0.254 0.829 -1.311 1.00 0.00 H new ATOM 0 HD2 LYS A 374 -0.126 0.197 -3.665 1.00 0.00 H new ATOM 0 HD3 LYS A 374 -1.630 1.049 -3.373 1.00 0.00 H new ATOM 0 HE2 LYS A 374 -0.928 2.976 -4.505 1.00 0.00 H new ATOM 0 HE3 LYS A 374 0.773 2.643 -4.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 374 0.148 2.270 -6.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 374 0.626 0.806 -5.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 374 -1.022 1.130 -6.077 1.00 0.00 H new ATOM 501 N LEU A 375 -2.304 4.894 0.403 1.00 0.00 N ATOM 502 CA LEU A 375 -2.652 6.265 0.760 1.00 0.00 C ATOM 503 C LEU A 375 -1.983 6.674 2.068 1.00 0.00 C ATOM 504 O LEU A 375 -1.721 7.854 2.301 1.00 0.00 O ATOM 505 CB LEU A 375 -4.170 6.411 0.883 1.00 0.00 C ATOM 506 CG LEU A 375 -4.966 6.258 -0.413 1.00 0.00 C ATOM 507 CD1 LEU A 375 -6.459 6.244 -0.124 1.00 0.00 C ATOM 508 CD2 LEU A 375 -4.620 7.375 -1.387 1.00 0.00 C ATOM 0 H LEU A 375 -3.105 4.281 0.254 1.00 0.00 H new ATOM 0 HA LEU A 375 -2.293 6.923 -0.031 1.00 0.00 H new ATOM 0 HB2 LEU A 375 -4.530 5.669 1.596 1.00 0.00 H new ATOM 0 HB3 LEU A 375 -4.388 7.392 1.306 1.00 0.00 H new ATOM 0 HG LEU A 375 -4.697 5.307 -0.872 1.00 0.00 H new ATOM 0 HD11 LEU A 375 -7.009 6.134 -1.058 1.00 0.00 H new ATOM 0 HD12 LEU A 375 -6.694 5.409 0.536 1.00 0.00 H new ATOM 0 HD13 LEU A 375 -6.745 7.179 0.358 1.00 0.00 H new ATOM 0 HD21 LEU A 375 -5.196 7.250 -2.304 1.00 0.00 H new ATOM 0 HD22 LEU A 375 -4.860 8.338 -0.936 1.00 0.00 H new ATOM 0 HD23 LEU A 375 -3.556 7.338 -1.619 1.00 0.00 H new ATOM 520 N SER A 376 -1.707 5.691 2.919 1.00 0.00 N ATOM 521 CA SER A 376 -1.069 5.948 4.204 1.00 0.00 C ATOM 522 C SER A 376 0.434 6.149 4.035 1.00 0.00 C ATOM 523 O SER A 376 1.042 6.974 4.717 1.00 0.00 O ATOM 524 CB SER A 376 -1.335 4.792 5.170 1.00 0.00 C ATOM 525 OG SER A 376 -0.535 4.905 6.334 1.00 0.00 O ATOM 0 H SER A 376 -1.916 4.709 2.741 1.00 0.00 H new ATOM 0 HA SER A 376 -1.496 6.862 4.616 1.00 0.00 H new ATOM 0 HB2 SER A 376 -2.389 4.782 5.449 1.00 0.00 H new ATOM 0 HB3 SER A 376 -1.128 3.844 4.673 1.00 0.00 H new ATOM 0 HG SER A 376 -0.725 4.155 6.936 1.00 0.00 H new ATOM 531 N HIS A 377 1.027 5.387 3.121 1.00 0.00 N ATOM 532 CA HIS A 377 2.459 5.480 2.861 1.00 0.00 C ATOM 533 C HIS A 377 2.810 6.824 2.228 1.00 0.00 C ATOM 534 O HIS A 377 1.926 7.611 1.890 1.00 0.00 O ATOM 535 CB HIS A 377 2.908 4.341 1.946 1.00 0.00 C ATOM 536 CG HIS A 377 2.897 2.999 2.611 1.00 0.00 C ATOM 537 ND1 HIS A 377 3.259 2.809 3.928 1.00 0.00 N ATOM 538 CD2 HIS A 377 2.563 1.777 2.134 1.00 0.00 C ATOM 539 CE1 HIS A 377 3.150 1.528 4.232 1.00 0.00 C ATOM 540 NE2 HIS A 377 2.729 0.880 3.161 1.00 0.00 N ATOM 0 H HIS A 377 0.538 4.699 2.549 1.00 0.00 H new ATOM 0 HA HIS A 377 2.982 5.398 3.814 1.00 0.00 H new ATOM 0 HB2 HIS A 377 2.257 4.310 1.072 1.00 0.00 H new ATOM 0 HB3 HIS A 377 3.915 4.551 1.586 1.00 0.00 H new ATOM 0 HD1 HIS A 377 3.563 3.543 4.568 1.00 0.00 H new ATOM 0 HD2 HIS A 377 2.228 1.550 1.133 1.00 0.00 H new ATOM 0 HE1 HIS A 377 3.368 1.086 5.193 1.00 0.00 H new ATOM 548 N SER A 378 4.105 7.079 2.073 1.00 0.00 N ATOM 549 CA SER A 378 4.572 8.330 1.486 1.00 0.00 C ATOM 550 C SER A 378 4.609 8.235 -0.036 1.00 0.00 C ATOM 551 O SER A 378 4.065 9.087 -0.736 1.00 0.00 O ATOM 552 CB SER A 378 5.963 8.680 2.021 1.00 0.00 C ATOM 553 OG SER A 378 6.386 9.947 1.548 1.00 0.00 O ATOM 0 H SER A 378 4.849 6.437 2.345 1.00 0.00 H new ATOM 0 HA SER A 378 3.873 9.118 1.766 1.00 0.00 H new ATOM 0 HB2 SER A 378 5.947 8.682 3.111 1.00 0.00 H new ATOM 0 HB3 SER A 378 6.677 7.916 1.714 1.00 0.00 H new ATOM 0 HG SER A 378 7.276 10.149 1.905 1.00 0.00 H new ATOM 559 N GLY A 379 5.257 7.190 -0.542 1.00 0.00 N ATOM 560 CA GLY A 379 5.354 7.001 -1.978 1.00 0.00 C ATOM 561 C GLY A 379 6.642 6.314 -2.387 1.00 0.00 C ATOM 562 O GLY A 379 7.524 6.936 -2.977 1.00 0.00 O ATOM 0 H GLY A 379 5.717 6.471 0.017 1.00 0.00 H new ATOM 0 HA2 GLY A 379 4.505 6.409 -2.322 1.00 0.00 H new ATOM 0 HA3 GLY A 379 5.289 7.969 -2.474 1.00 0.00 H new ATOM 566 N GLU A 380 6.751 5.027 -2.070 1.00 0.00 N ATOM 567 CA GLU A 380 7.942 4.257 -2.406 1.00 0.00 C ATOM 568 C GLU A 380 7.709 3.415 -3.658 1.00 0.00 C ATOM 569 O GLU A 380 8.191 2.286 -3.759 1.00 0.00 O ATOM 570 CB GLU A 380 8.339 3.353 -1.237 1.00 0.00 C ATOM 571 CG GLU A 380 8.567 4.106 0.063 1.00 0.00 C ATOM 572 CD GLU A 380 9.847 4.919 0.050 1.00 0.00 C ATOM 573 OE1 GLU A 380 10.905 4.368 0.417 1.00 0.00 O ATOM 574 OE2 GLU A 380 9.789 6.108 -0.328 1.00 0.00 O ATOM 0 H GLU A 380 6.029 4.497 -1.582 1.00 0.00 H new ATOM 0 HA GLU A 380 8.753 4.958 -2.605 1.00 0.00 H new ATOM 0 HB2 GLU A 380 7.559 2.608 -1.084 1.00 0.00 H new ATOM 0 HB3 GLU A 380 9.249 2.813 -1.499 1.00 0.00 H new ATOM 0 HG2 GLU A 380 7.722 4.769 0.247 1.00 0.00 H new ATOM 0 HG3 GLU A 380 8.601 3.395 0.889 1.00 0.00 H new ATOM 581 N LYS A 381 6.967 3.971 -4.609 1.00 0.00 N ATOM 582 CA LYS A 381 6.669 3.274 -5.854 1.00 0.00 C ATOM 583 C LYS A 381 7.162 4.073 -7.056 1.00 0.00 C ATOM 584 O LYS A 381 6.379 4.645 -7.815 1.00 0.00 O ATOM 585 CB LYS A 381 5.165 3.024 -5.976 1.00 0.00 C ATOM 586 CG LYS A 381 4.804 1.972 -7.011 1.00 0.00 C ATOM 587 CD LYS A 381 3.477 1.306 -6.690 1.00 0.00 C ATOM 588 CE LYS A 381 2.817 0.747 -7.941 1.00 0.00 C ATOM 589 NZ LYS A 381 3.743 -0.129 -8.712 1.00 0.00 N ATOM 0 H LYS A 381 6.560 4.904 -4.541 1.00 0.00 H new ATOM 0 HA LYS A 381 7.189 2.316 -5.838 1.00 0.00 H new ATOM 0 HB2 LYS A 381 4.777 2.715 -5.006 1.00 0.00 H new ATOM 0 HB3 LYS A 381 4.670 3.960 -6.234 1.00 0.00 H new ATOM 0 HG2 LYS A 381 4.751 2.434 -7.997 1.00 0.00 H new ATOM 0 HG3 LYS A 381 5.590 1.218 -7.054 1.00 0.00 H new ATOM 0 HD2 LYS A 381 3.637 0.502 -5.971 1.00 0.00 H new ATOM 0 HD3 LYS A 381 2.811 2.028 -6.218 1.00 0.00 H new ATOM 0 HE2 LYS A 381 1.929 0.180 -7.661 1.00 0.00 H new ATOM 0 HE3 LYS A 381 2.483 1.569 -8.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 381 3.204 -0.661 -9.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 381 4.461 0.456 -9.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 381 4.211 -0.794 -8.064 1.00 0.00 H new ATOM 603 N PRO A 382 8.490 4.114 -7.237 1.00 0.00 N ATOM 604 CA PRO A 382 9.116 4.839 -8.346 1.00 0.00 C ATOM 605 C PRO A 382 8.855 4.175 -9.694 1.00 0.00 C ATOM 606 O PRO A 382 8.679 4.851 -10.707 1.00 0.00 O ATOM 607 CB PRO A 382 10.608 4.790 -8.006 1.00 0.00 C ATOM 608 CG PRO A 382 10.762 3.577 -7.154 1.00 0.00 C ATOM 609 CD PRO A 382 9.484 3.456 -6.372 1.00 0.00 C ATOM 0 HA PRO A 382 8.721 5.850 -8.446 1.00 0.00 H new ATOM 0 HB2 PRO A 382 11.217 4.721 -8.907 1.00 0.00 H new ATOM 0 HB3 PRO A 382 10.923 5.689 -7.476 1.00 0.00 H new ATOM 0 HG2 PRO A 382 10.931 2.690 -7.765 1.00 0.00 H new ATOM 0 HG3 PRO A 382 11.619 3.674 -6.488 1.00 0.00 H new ATOM 0 HD2 PRO A 382 9.225 2.414 -6.184 1.00 0.00 H new ATOM 0 HD3 PRO A 382 9.559 3.946 -5.401 1.00 0.00 H new ATOM 617 N TYR A 383 8.831 2.846 -9.698 1.00 0.00 N ATOM 618 CA TYR A 383 8.594 2.090 -10.922 1.00 0.00 C ATOM 619 C TYR A 383 7.190 2.352 -11.460 1.00 0.00 C ATOM 620 O TYR A 383 6.273 2.673 -10.704 1.00 0.00 O ATOM 621 CB TYR A 383 8.783 0.594 -10.667 1.00 0.00 C ATOM 622 CG TYR A 383 10.177 0.230 -10.208 1.00 0.00 C ATOM 623 CD1 TYR A 383 11.227 0.144 -11.114 1.00 0.00 C ATOM 624 CD2 TYR A 383 10.444 -0.030 -8.869 1.00 0.00 C ATOM 625 CE1 TYR A 383 12.502 -0.189 -10.700 1.00 0.00 C ATOM 626 CE2 TYR A 383 11.716 -0.362 -8.446 1.00 0.00 C ATOM 627 CZ TYR A 383 12.742 -0.441 -9.365 1.00 0.00 C ATOM 628 OH TYR A 383 14.010 -0.773 -8.947 1.00 0.00 O ATOM 0 H TYR A 383 8.973 2.271 -8.868 1.00 0.00 H new ATOM 0 HA TYR A 383 9.317 2.419 -11.668 1.00 0.00 H new ATOM 0 HB2 TYR A 383 8.065 0.269 -9.914 1.00 0.00 H new ATOM 0 HB3 TYR A 383 8.556 0.046 -11.582 1.00 0.00 H new ATOM 0 HD1 TYR A 383 11.043 0.341 -12.160 1.00 0.00 H new ATOM 0 HD2 TYR A 383 9.643 0.029 -8.147 1.00 0.00 H new ATOM 0 HE1 TYR A 383 13.307 -0.252 -11.418 1.00 0.00 H new ATOM 0 HE2 TYR A 383 11.907 -0.559 -7.401 1.00 0.00 H new ATOM 0 HH TYR A 383 14.008 -0.917 -7.978 1.00 0.00 H new ATOM 638 N SER A 384 7.031 2.212 -12.772 1.00 0.00 N ATOM 639 CA SER A 384 5.741 2.436 -13.414 1.00 0.00 C ATOM 640 C SER A 384 5.231 1.156 -14.071 1.00 0.00 C ATOM 641 O SER A 384 5.990 0.430 -14.713 1.00 0.00 O ATOM 642 CB SER A 384 5.853 3.549 -14.458 1.00 0.00 C ATOM 643 OG SER A 384 7.150 3.583 -15.029 1.00 0.00 O ATOM 0 H SER A 384 7.779 1.944 -13.411 1.00 0.00 H new ATOM 0 HA SER A 384 5.029 2.738 -12.646 1.00 0.00 H new ATOM 0 HB2 SER A 384 5.111 3.393 -15.241 1.00 0.00 H new ATOM 0 HB3 SER A 384 5.631 4.510 -13.995 1.00 0.00 H new ATOM 0 HG SER A 384 7.196 4.301 -15.694 1.00 0.00 H new ATOM 649 N SER A 385 3.940 0.887 -13.904 1.00 0.00 N ATOM 650 CA SER A 385 3.328 -0.306 -14.477 1.00 0.00 C ATOM 651 C SER A 385 1.843 -0.081 -14.744 1.00 0.00 C ATOM 652 O SER A 385 1.126 0.462 -13.905 1.00 0.00 O ATOM 653 CB SER A 385 3.514 -1.501 -13.539 1.00 0.00 C ATOM 654 OG SER A 385 3.001 -1.220 -12.248 1.00 0.00 O ATOM 0 H SER A 385 3.298 1.479 -13.377 1.00 0.00 H new ATOM 0 HA SER A 385 3.822 -0.517 -15.426 1.00 0.00 H new ATOM 0 HB2 SER A 385 3.009 -2.374 -13.952 1.00 0.00 H new ATOM 0 HB3 SER A 385 4.573 -1.750 -13.467 1.00 0.00 H new ATOM 0 HG SER A 385 3.130 -1.999 -11.668 1.00 0.00 H new ATOM 660 N GLY A 386 1.389 -0.502 -15.920 1.00 0.00 N ATOM 661 CA GLY A 386 -0.008 -0.337 -16.278 1.00 0.00 C ATOM 662 C GLY A 386 -0.241 -0.452 -17.771 1.00 0.00 C ATOM 663 O GLY A 386 0.645 -0.845 -18.531 1.00 0.00 O ATOM 0 H GLY A 386 1.963 -0.954 -16.631 1.00 0.00 H new ATOM 0 HA2 GLY A 386 -0.604 -1.090 -15.761 1.00 0.00 H new ATOM 0 HA3 GLY A 386 -0.356 0.637 -15.933 1.00 0.00 H new ATOM 667 N PRO A 387 -1.460 -0.106 -18.212 1.00 0.00 N ATOM 668 CA PRO A 387 -1.836 -0.166 -19.628 1.00 0.00 C ATOM 669 C PRO A 387 -1.125 0.896 -20.461 1.00 0.00 C ATOM 670 O PRO A 387 -0.418 1.749 -19.925 1.00 0.00 O ATOM 671 CB PRO A 387 -3.344 0.093 -19.605 1.00 0.00 C ATOM 672 CG PRO A 387 -3.577 0.870 -18.356 1.00 0.00 C ATOM 673 CD PRO A 387 -2.564 0.370 -17.363 1.00 0.00 C ATOM 0 HA PRO A 387 -1.560 -1.117 -20.084 1.00 0.00 H new ATOM 0 HB2 PRO A 387 -3.663 0.653 -20.484 1.00 0.00 H new ATOM 0 HB3 PRO A 387 -3.906 -0.841 -19.601 1.00 0.00 H new ATOM 0 HG2 PRO A 387 -3.456 1.939 -18.533 1.00 0.00 H new ATOM 0 HG3 PRO A 387 -4.592 0.721 -17.987 1.00 0.00 H new ATOM 0 HD2 PRO A 387 -2.239 1.161 -16.688 1.00 0.00 H new ATOM 0 HD3 PRO A 387 -2.969 -0.431 -16.744 1.00 0.00 H new ATOM 681 N SER A 388 -1.318 0.837 -21.775 1.00 0.00 N ATOM 682 CA SER A 388 -0.693 1.792 -22.683 1.00 0.00 C ATOM 683 C SER A 388 -1.692 2.857 -23.123 1.00 0.00 C ATOM 684 O SER A 388 -2.078 2.919 -24.290 1.00 0.00 O ATOM 685 CB SER A 388 -0.129 1.069 -23.907 1.00 0.00 C ATOM 686 OG SER A 388 1.173 0.571 -23.651 1.00 0.00 O ATOM 0 H SER A 388 -1.902 0.138 -22.234 1.00 0.00 H new ATOM 0 HA SER A 388 0.123 2.282 -22.151 1.00 0.00 H new ATOM 0 HB2 SER A 388 -0.789 0.246 -24.183 1.00 0.00 H new ATOM 0 HB3 SER A 388 -0.100 1.753 -24.756 1.00 0.00 H new ATOM 0 HG SER A 388 1.510 0.112 -24.448 1.00 0.00 H new ATOM 692 N SER A 389 -2.108 3.696 -22.179 1.00 0.00 N ATOM 693 CA SER A 389 -3.065 4.757 -22.467 1.00 0.00 C ATOM 694 C SER A 389 -2.628 6.072 -21.827 1.00 0.00 C ATOM 695 O SER A 389 -1.850 6.082 -20.874 1.00 0.00 O ATOM 696 CB SER A 389 -4.456 4.370 -21.962 1.00 0.00 C ATOM 697 OG SER A 389 -5.321 5.492 -21.938 1.00 0.00 O ATOM 0 H SER A 389 -1.797 3.661 -21.208 1.00 0.00 H new ATOM 0 HA SER A 389 -3.103 4.893 -23.548 1.00 0.00 H new ATOM 0 HB2 SER A 389 -4.877 3.596 -22.604 1.00 0.00 H new ATOM 0 HB3 SER A 389 -4.378 3.946 -20.961 1.00 0.00 H new ATOM 0 HG SER A 389 -6.204 5.217 -21.613 1.00 0.00 H new ATOM 703 N GLY A 390 -3.134 7.180 -22.359 1.00 0.00 N ATOM 704 CA GLY A 390 -2.785 8.484 -21.828 1.00 0.00 C ATOM 705 C GLY A 390 -3.690 8.907 -20.688 1.00 0.00 C ATOM 706 O GLY A 390 -4.635 9.659 -20.921 1.00 0.00 O ATOM 0 H GLY A 390 -3.780 7.198 -23.148 1.00 0.00 H new ATOM 0 HA2 GLY A 390 -1.752 8.467 -21.481 1.00 0.00 H new ATOM 0 HA3 GLY A 390 -2.841 9.225 -22.626 1.00 0.00 H new TER 710 GLY A 390 HETATM 711 ZN ZN A 201 2.415 -1.070 3.037 1.00 0.00 ZN