USER MOD reduce.3.24.130724 H: found=0, std=0, add=349, rem=0, adj=16 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 Set 1.1: A 345 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 347 SER OG : rot 180:sc= 0 USER MOD Single : A 344 SER OG : rot 180:sc= 0 USER MOD Single : A 348 SER OG : rot 180:sc= -0.154 USER MOD Single : A 351 THR OG1 : rot 180:sc= -0.167 USER MOD Single : A 353 LYS NZ :NH3+ -156:sc= -0.14 (180deg=-0.831) USER MOD Single : A 354 GLN : amide:sc= -0.896 K(o=-0.9,f=-3.7!) 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=-0.25) USER MOD Single : A 371 ASN : amide:sc= -0.358 K(o=-0.36,f=-4!) USER MOD Single : A 374 LYS NZ :NH3+ -147:sc= -0.305 (180deg=-1.36) 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+ -170:sc= -0.0158 (180deg=-0.172) USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 384 SER OG : rot 30:sc= 0.155 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 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 343 28.024 -19.879 -12.033 1.00 0.00 N ATOM 2 CA GLY A 343 27.071 -19.199 -12.891 1.00 0.00 C ATOM 3 C GLY A 343 26.052 -20.147 -13.491 1.00 0.00 C ATOM 4 O GLY A 343 26.412 -21.095 -14.189 1.00 0.00 O ATOM 0 HA2 GLY A 343 26.554 -18.430 -12.317 1.00 0.00 H new ATOM 0 HA3 GLY A 343 27.607 -18.691 -13.693 1.00 0.00 H new ATOM 8 N SER A 344 24.777 -19.893 -13.218 1.00 0.00 N ATOM 9 CA SER A 344 23.703 -20.735 -13.732 1.00 0.00 C ATOM 10 C SER A 344 22.573 -19.885 -14.306 1.00 0.00 C ATOM 11 O SER A 344 22.248 -18.824 -13.773 1.00 0.00 O ATOM 12 CB SER A 344 23.162 -21.641 -12.624 1.00 0.00 C ATOM 13 OG SER A 344 22.650 -22.850 -13.159 1.00 0.00 O ATOM 0 H SER A 344 24.462 -19.111 -12.644 1.00 0.00 H new ATOM 0 HA SER A 344 24.111 -21.354 -14.531 1.00 0.00 H new ATOM 0 HB2 SER A 344 23.956 -21.863 -11.911 1.00 0.00 H new ATOM 0 HB3 SER A 344 22.377 -21.121 -12.075 1.00 0.00 H new ATOM 0 HG SER A 344 22.312 -23.412 -12.431 1.00 0.00 H new ATOM 19 N SER A 345 21.979 -20.359 -15.396 1.00 0.00 N ATOM 20 CA SER A 345 20.888 -19.642 -16.046 1.00 0.00 C ATOM 21 C SER A 345 19.541 -20.260 -15.685 1.00 0.00 C ATOM 22 O SER A 345 19.264 -21.411 -16.019 1.00 0.00 O ATOM 23 CB SER A 345 21.077 -19.651 -17.564 1.00 0.00 C ATOM 24 OG SER A 345 19.877 -19.295 -18.229 1.00 0.00 O ATOM 0 H SER A 345 22.235 -21.237 -15.848 1.00 0.00 H new ATOM 0 HA SER A 345 20.901 -18.611 -15.692 1.00 0.00 H new ATOM 0 HB2 SER A 345 21.869 -18.955 -17.839 1.00 0.00 H new ATOM 0 HB3 SER A 345 21.396 -20.642 -17.888 1.00 0.00 H new ATOM 0 HG SER A 345 20.024 -19.307 -19.198 1.00 0.00 H new ATOM 30 N GLY A 346 18.705 -19.484 -15.001 1.00 0.00 N ATOM 31 CA GLY A 346 17.397 -19.971 -14.606 1.00 0.00 C ATOM 32 C GLY A 346 16.319 -19.622 -15.613 1.00 0.00 C ATOM 33 O GLY A 346 15.644 -20.505 -16.142 1.00 0.00 O ATOM 0 H GLY A 346 18.911 -18.527 -14.714 1.00 0.00 H new ATOM 0 HA2 GLY A 346 17.438 -21.053 -14.483 1.00 0.00 H new ATOM 0 HA3 GLY A 346 17.134 -19.549 -13.636 1.00 0.00 H new ATOM 37 N SER A 347 16.156 -18.329 -15.878 1.00 0.00 N ATOM 38 CA SER A 347 15.149 -17.865 -16.825 1.00 0.00 C ATOM 39 C SER A 347 13.759 -18.348 -16.421 1.00 0.00 C ATOM 40 O SER A 347 12.900 -18.582 -17.270 1.00 0.00 O ATOM 41 CB SER A 347 15.481 -18.353 -18.236 1.00 0.00 C ATOM 42 OG SER A 347 16.882 -18.425 -18.435 1.00 0.00 O ATOM 0 H SER A 347 16.708 -17.585 -15.451 1.00 0.00 H new ATOM 0 HA SER A 347 15.153 -16.775 -16.815 1.00 0.00 H new ATOM 0 HB2 SER A 347 15.037 -19.335 -18.398 1.00 0.00 H new ATOM 0 HB3 SER A 347 15.041 -17.679 -18.970 1.00 0.00 H new ATOM 0 HG SER A 347 17.067 -18.741 -19.344 1.00 0.00 H new ATOM 48 N SER A 348 13.547 -18.495 -15.117 1.00 0.00 N ATOM 49 CA SER A 348 12.263 -18.954 -14.598 1.00 0.00 C ATOM 50 C SER A 348 11.647 -17.909 -13.673 1.00 0.00 C ATOM 51 O SER A 348 10.464 -17.588 -13.782 1.00 0.00 O ATOM 52 CB SER A 348 12.436 -20.277 -13.850 1.00 0.00 C ATOM 53 OG SER A 348 13.192 -20.098 -12.665 1.00 0.00 O ATOM 0 H SER A 348 14.247 -18.303 -14.401 1.00 0.00 H new ATOM 0 HA SER A 348 11.591 -19.108 -15.442 1.00 0.00 H new ATOM 0 HB2 SER A 348 11.458 -20.689 -13.602 1.00 0.00 H new ATOM 0 HB3 SER A 348 12.932 -21.001 -14.496 1.00 0.00 H new ATOM 0 HG SER A 348 13.287 -20.958 -12.204 1.00 0.00 H new ATOM 59 N GLY A 349 12.458 -17.383 -12.760 1.00 0.00 N ATOM 60 CA GLY A 349 11.976 -16.381 -11.828 1.00 0.00 C ATOM 61 C GLY A 349 10.956 -16.937 -10.855 1.00 0.00 C ATOM 62 O GLY A 349 11.020 -18.109 -10.481 1.00 0.00 O ATOM 0 H GLY A 349 13.441 -17.633 -12.649 1.00 0.00 H new ATOM 0 HA2 GLY A 349 12.819 -15.972 -11.271 1.00 0.00 H new ATOM 0 HA3 GLY A 349 11.531 -15.556 -12.384 1.00 0.00 H new ATOM 66 N ARG A 350 10.014 -16.096 -10.442 1.00 0.00 N ATOM 67 CA ARG A 350 8.978 -16.510 -9.503 1.00 0.00 C ATOM 68 C ARG A 350 7.911 -15.429 -9.359 1.00 0.00 C ATOM 69 O ARG A 350 8.182 -14.244 -9.555 1.00 0.00 O ATOM 70 CB ARG A 350 9.592 -16.821 -8.137 1.00 0.00 C ATOM 71 CG ARG A 350 10.387 -15.667 -7.549 1.00 0.00 C ATOM 72 CD ARG A 350 10.386 -15.707 -6.029 1.00 0.00 C ATOM 73 NE ARG A 350 11.199 -14.639 -5.453 1.00 0.00 N ATOM 74 CZ ARG A 350 11.308 -14.422 -4.147 1.00 0.00 C ATOM 75 NH1 ARG A 350 10.661 -15.196 -3.286 1.00 0.00 N ATOM 76 NH2 ARG A 350 12.068 -13.430 -3.699 1.00 0.00 N ATOM 0 H ARG A 350 9.947 -15.124 -10.743 1.00 0.00 H new ATOM 0 HA ARG A 350 8.507 -17.411 -9.895 1.00 0.00 H new ATOM 0 HB2 ARG A 350 8.796 -17.093 -7.444 1.00 0.00 H new ATOM 0 HB3 ARG A 350 10.244 -17.690 -8.230 1.00 0.00 H new ATOM 0 HG2 ARG A 350 11.413 -15.707 -7.914 1.00 0.00 H new ATOM 0 HG3 ARG A 350 9.964 -14.722 -7.889 1.00 0.00 H new ATOM 0 HD2 ARG A 350 9.362 -15.620 -5.665 1.00 0.00 H new ATOM 0 HD3 ARG A 350 10.764 -16.672 -5.691 1.00 0.00 H new ATOM 0 HE ARG A 350 11.711 -14.027 -6.088 1.00 0.00 H new ATOM 0 HH11 ARG A 350 10.078 -15.961 -3.626 1.00 0.00 H new ATOM 0 HH12 ARG A 350 10.747 -15.027 -2.284 1.00 0.00 H new ATOM 0 HH21 ARG A 350 12.569 -12.834 -4.358 1.00 0.00 H new ATOM 0 HH22 ARG A 350 12.151 -13.264 -2.696 1.00 0.00 H new ATOM 90 N THR A 351 6.696 -15.845 -9.015 1.00 0.00 N ATOM 91 CA THR A 351 5.589 -14.913 -8.845 1.00 0.00 C ATOM 92 C THR A 351 4.797 -15.224 -7.580 1.00 0.00 C ATOM 93 O THR A 351 4.886 -16.325 -7.036 1.00 0.00 O ATOM 94 CB THR A 351 4.636 -14.948 -10.055 1.00 0.00 C ATOM 95 OG1 THR A 351 3.595 -13.979 -9.887 1.00 0.00 O ATOM 96 CG2 THR A 351 4.025 -16.331 -10.223 1.00 0.00 C ATOM 0 H THR A 351 6.454 -16.822 -8.849 1.00 0.00 H new ATOM 0 HA THR A 351 6.024 -13.917 -8.762 1.00 0.00 H new ATOM 0 HB THR A 351 5.212 -14.711 -10.950 1.00 0.00 H new ATOM 0 HG1 THR A 351 2.995 -14.006 -10.661 1.00 0.00 H new ATOM 0 HG21 THR A 351 3.356 -16.331 -11.083 1.00 0.00 H new ATOM 0 HG22 THR A 351 4.818 -17.062 -10.380 1.00 0.00 H new ATOM 0 HG23 THR A 351 3.463 -16.592 -9.326 1.00 0.00 H new ATOM 104 N ARG A 352 4.023 -14.248 -7.117 1.00 0.00 N ATOM 105 CA ARG A 352 3.216 -14.418 -5.915 1.00 0.00 C ATOM 106 C ARG A 352 1.750 -14.644 -6.272 1.00 0.00 C ATOM 107 O ARG A 352 1.271 -14.172 -7.304 1.00 0.00 O ATOM 108 CB ARG A 352 3.348 -13.192 -5.009 1.00 0.00 C ATOM 109 CG ARG A 352 4.787 -12.842 -4.665 1.00 0.00 C ATOM 110 CD ARG A 352 5.499 -14.007 -3.996 1.00 0.00 C ATOM 111 NE ARG A 352 4.803 -14.457 -2.794 1.00 0.00 N ATOM 112 CZ ARG A 352 4.889 -13.839 -1.621 1.00 0.00 C ATOM 113 NH1 ARG A 352 5.636 -12.751 -1.493 1.00 0.00 N ATOM 114 NH2 ARG A 352 4.226 -14.309 -0.572 1.00 0.00 N ATOM 0 H ARG A 352 3.938 -13.331 -7.556 1.00 0.00 H new ATOM 0 HA ARG A 352 3.582 -15.296 -5.383 1.00 0.00 H new ATOM 0 HB2 ARG A 352 2.882 -12.337 -5.499 1.00 0.00 H new ATOM 0 HB3 ARG A 352 2.796 -13.371 -4.086 1.00 0.00 H new ATOM 0 HG2 ARG A 352 5.321 -12.561 -5.573 1.00 0.00 H new ATOM 0 HG3 ARG A 352 4.804 -11.976 -4.004 1.00 0.00 H new ATOM 0 HD2 ARG A 352 5.579 -14.835 -4.700 1.00 0.00 H new ATOM 0 HD3 ARG A 352 6.515 -13.710 -3.737 1.00 0.00 H new ATOM 0 HE ARG A 352 4.219 -15.291 -2.858 1.00 0.00 H new ATOM 0 HH11 ARG A 352 6.147 -12.386 -2.297 1.00 0.00 H new ATOM 0 HH12 ARG A 352 5.700 -12.279 -0.591 1.00 0.00 H new ATOM 0 HH21 ARG A 352 3.650 -15.145 -0.666 1.00 0.00 H new ATOM 0 HH22 ARG A 352 4.293 -13.834 0.328 1.00 0.00 H new ATOM 128 N LYS A 353 1.042 -15.368 -5.412 1.00 0.00 N ATOM 129 CA LYS A 353 -0.370 -15.657 -5.635 1.00 0.00 C ATOM 130 C LYS A 353 -1.240 -14.479 -5.210 1.00 0.00 C ATOM 131 O LYS A 353 -2.346 -14.298 -5.719 1.00 0.00 O ATOM 132 CB LYS A 353 -0.782 -16.914 -4.865 1.00 0.00 C ATOM 133 CG LYS A 353 -0.507 -16.830 -3.373 1.00 0.00 C ATOM 134 CD LYS A 353 -1.025 -18.056 -2.641 1.00 0.00 C ATOM 135 CE LYS A 353 -0.356 -18.220 -1.285 1.00 0.00 C ATOM 136 NZ LYS A 353 1.118 -18.390 -1.411 1.00 0.00 N ATOM 0 H LYS A 353 1.423 -15.766 -4.553 1.00 0.00 H new ATOM 0 HA LYS A 353 -0.517 -15.828 -6.702 1.00 0.00 H new ATOM 0 HB2 LYS A 353 -1.846 -17.093 -5.020 1.00 0.00 H new ATOM 0 HB3 LYS A 353 -0.251 -17.772 -5.276 1.00 0.00 H new ATOM 0 HG2 LYS A 353 0.565 -16.731 -3.205 1.00 0.00 H new ATOM 0 HG3 LYS A 353 -0.978 -15.936 -2.965 1.00 0.00 H new ATOM 0 HD2 LYS A 353 -2.104 -17.973 -2.508 1.00 0.00 H new ATOM 0 HD3 LYS A 353 -0.846 -18.945 -3.246 1.00 0.00 H new ATOM 0 HE2 LYS A 353 -0.570 -17.348 -0.667 1.00 0.00 H new ATOM 0 HE3 LYS A 353 -0.779 -19.085 -0.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 353 1.483 -18.888 -0.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 353 1.332 -18.945 -2.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 353 1.570 -17.456 -1.483 1.00 0.00 H new ATOM 150 N GLN A 354 -0.733 -13.681 -4.277 1.00 0.00 N ATOM 151 CA GLN A 354 -1.465 -12.520 -3.785 1.00 0.00 C ATOM 152 C GLN A 354 -0.573 -11.282 -3.767 1.00 0.00 C ATOM 153 O GLN A 354 0.582 -11.330 -4.189 1.00 0.00 O ATOM 154 CB GLN A 354 -2.010 -12.791 -2.382 1.00 0.00 C ATOM 155 CG GLN A 354 -0.947 -12.743 -1.296 1.00 0.00 C ATOM 156 CD GLN A 354 0.104 -13.823 -1.461 1.00 0.00 C ATOM 157 OE1 GLN A 354 1.073 -13.655 -2.202 1.00 0.00 O ATOM 158 NE2 GLN A 354 -0.082 -14.941 -0.769 1.00 0.00 N ATOM 0 H GLN A 354 0.182 -13.817 -3.846 1.00 0.00 H new ATOM 0 HA GLN A 354 -2.300 -12.335 -4.461 1.00 0.00 H new ATOM 0 HB2 GLN A 354 -2.784 -12.058 -2.154 1.00 0.00 H new ATOM 0 HB3 GLN A 354 -2.486 -13.771 -2.369 1.00 0.00 H new ATOM 0 HG2 GLN A 354 -0.464 -11.766 -1.309 1.00 0.00 H new ATOM 0 HG3 GLN A 354 -1.423 -12.851 -0.321 1.00 0.00 H new ATOM 0 HE21 GLN A 354 -0.899 -15.038 -0.167 1.00 0.00 H new ATOM 0 HE22 GLN A 354 0.593 -15.703 -0.840 1.00 0.00 H new ATOM 167 N VAL A 355 -1.118 -10.174 -3.276 1.00 0.00 N ATOM 168 CA VAL A 355 -0.372 -8.923 -3.202 1.00 0.00 C ATOM 169 C VAL A 355 0.457 -8.852 -1.924 1.00 0.00 C ATOM 170 O VAL A 355 0.004 -9.259 -0.855 1.00 0.00 O ATOM 171 CB VAL A 355 -1.313 -7.704 -3.258 1.00 0.00 C ATOM 172 CG1 VAL A 355 -0.512 -6.416 -3.373 1.00 0.00 C ATOM 173 CG2 VAL A 355 -2.290 -7.839 -4.416 1.00 0.00 C ATOM 0 H VAL A 355 -2.073 -10.117 -2.923 1.00 0.00 H new ATOM 0 HA VAL A 355 0.293 -8.900 -4.065 1.00 0.00 H new ATOM 0 HB VAL A 355 -1.886 -7.666 -2.331 1.00 0.00 H new ATOM 0 HG11 VAL A 355 -1.193 -5.566 -3.411 1.00 0.00 H new ATOM 0 HG12 VAL A 355 0.144 -6.317 -2.508 1.00 0.00 H new ATOM 0 HG13 VAL A 355 0.088 -6.441 -4.282 1.00 0.00 H new ATOM 0 HG21 VAL A 355 -2.947 -6.970 -4.441 1.00 0.00 H new ATOM 0 HG22 VAL A 355 -1.737 -7.903 -5.353 1.00 0.00 H new ATOM 0 HG23 VAL A 355 -2.887 -8.741 -4.285 1.00 0.00 H new ATOM 183 N ALA A 356 1.675 -8.333 -2.044 1.00 0.00 N ATOM 184 CA ALA A 356 2.567 -8.207 -0.899 1.00 0.00 C ATOM 185 C ALA A 356 3.323 -6.883 -0.935 1.00 0.00 C ATOM 186 O ALA A 356 4.241 -6.702 -1.735 1.00 0.00 O ATOM 187 CB ALA A 356 3.544 -9.373 -0.859 1.00 0.00 C ATOM 0 H ALA A 356 2.066 -7.993 -2.923 1.00 0.00 H new ATOM 0 HA ALA A 356 1.960 -8.225 0.006 1.00 0.00 H new ATOM 0 HB1 ALA A 356 4.204 -9.265 0.002 1.00 0.00 H new ATOM 0 HB2 ALA A 356 2.991 -10.309 -0.777 1.00 0.00 H new ATOM 0 HB3 ALA A 356 4.138 -9.381 -1.773 1.00 0.00 H new ATOM 193 N CYS A 357 2.930 -5.959 -0.064 1.00 0.00 N ATOM 194 CA CYS A 357 3.570 -4.651 0.004 1.00 0.00 C ATOM 195 C CYS A 357 5.005 -4.772 0.507 1.00 0.00 C ATOM 196 O CYS A 357 5.242 -5.174 1.646 1.00 0.00 O ATOM 197 CB CYS A 357 2.774 -3.718 0.919 1.00 0.00 C ATOM 198 SG CYS A 357 3.240 -1.962 0.778 1.00 0.00 S ATOM 0 H CYS A 357 2.171 -6.092 0.604 1.00 0.00 H new ATOM 0 HA CYS A 357 3.591 -4.232 -1.002 1.00 0.00 H new ATOM 0 HB2 CYS A 357 1.713 -3.821 0.691 1.00 0.00 H new ATOM 0 HB3 CYS A 357 2.910 -4.037 1.952 1.00 0.00 H new ATOM 203 N GLU A 358 5.959 -4.421 -0.350 1.00 0.00 N ATOM 204 CA GLU A 358 7.370 -4.491 0.008 1.00 0.00 C ATOM 205 C GLU A 358 7.801 -3.242 0.772 1.00 0.00 C ATOM 206 O GLU A 358 8.766 -3.271 1.536 1.00 0.00 O ATOM 207 CB GLU A 358 8.230 -4.656 -1.247 1.00 0.00 C ATOM 208 CG GLU A 358 8.274 -3.415 -2.122 1.00 0.00 C ATOM 209 CD GLU A 358 8.759 -3.710 -3.529 1.00 0.00 C ATOM 210 OE1 GLU A 358 7.918 -4.053 -4.386 1.00 0.00 O ATOM 211 OE2 GLU A 358 9.979 -3.597 -3.772 1.00 0.00 O ATOM 0 H GLU A 358 5.780 -4.086 -1.296 1.00 0.00 H new ATOM 0 HA GLU A 358 7.511 -5.358 0.654 1.00 0.00 H new ATOM 0 HB2 GLU A 358 9.246 -4.917 -0.949 1.00 0.00 H new ATOM 0 HB3 GLU A 358 7.846 -5.490 -1.834 1.00 0.00 H new ATOM 0 HG2 GLU A 358 7.279 -2.973 -2.170 1.00 0.00 H new ATOM 0 HG3 GLU A 358 8.930 -2.675 -1.663 1.00 0.00 H new ATOM 218 N ILE A 359 7.078 -2.147 0.559 1.00 0.00 N ATOM 219 CA ILE A 359 7.385 -0.889 1.227 1.00 0.00 C ATOM 220 C ILE A 359 7.502 -1.081 2.735 1.00 0.00 C ATOM 221 O ILE A 359 8.470 -0.640 3.355 1.00 0.00 O ATOM 222 CB ILE A 359 6.311 0.178 0.939 1.00 0.00 C ATOM 223 CG1 ILE A 359 6.195 0.421 -0.567 1.00 0.00 C ATOM 224 CG2 ILE A 359 6.642 1.472 1.666 1.00 0.00 C ATOM 225 CD1 ILE A 359 4.903 1.096 -0.972 1.00 0.00 C ATOM 0 H ILE A 359 6.276 -2.106 -0.070 1.00 0.00 H new ATOM 0 HA ILE A 359 8.341 -0.547 0.831 1.00 0.00 H new ATOM 0 HB ILE A 359 5.351 -0.185 1.305 1.00 0.00 H new ATOM 0 HG12 ILE A 359 7.034 1.035 -0.894 1.00 0.00 H new ATOM 0 HG13 ILE A 359 6.276 -0.533 -1.088 1.00 0.00 H new ATOM 0 HG21 ILE A 359 5.874 2.216 1.453 1.00 0.00 H new ATOM 0 HG22 ILE A 359 6.680 1.287 2.740 1.00 0.00 H new ATOM 0 HG23 ILE A 359 7.610 1.842 1.328 1.00 0.00 H new ATOM 0 HD11 ILE A 359 4.889 1.237 -2.053 1.00 0.00 H new ATOM 0 HD12 ILE A 359 4.059 0.473 -0.676 1.00 0.00 H new ATOM 0 HD13 ILE A 359 4.829 2.065 -0.479 1.00 0.00 H new ATOM 237 N CYS A 360 6.511 -1.745 3.320 1.00 0.00 N ATOM 238 CA CYS A 360 6.502 -1.998 4.756 1.00 0.00 C ATOM 239 C CYS A 360 6.585 -3.494 5.045 1.00 0.00 C ATOM 240 O CYS A 360 7.257 -3.920 5.983 1.00 0.00 O ATOM 241 CB CYS A 360 5.238 -1.414 5.390 1.00 0.00 C ATOM 242 SG CYS A 360 3.692 -1.924 4.572 1.00 0.00 S ATOM 0 H CYS A 360 5.703 -2.118 2.821 1.00 0.00 H new ATOM 0 HA CYS A 360 7.376 -1.513 5.191 1.00 0.00 H new ATOM 0 HB2 CYS A 360 5.198 -1.713 6.437 1.00 0.00 H new ATOM 0 HB3 CYS A 360 5.304 -0.326 5.372 1.00 0.00 H new ATOM 247 N GLY A 361 5.895 -4.288 4.230 1.00 0.00 N ATOM 248 CA GLY A 361 5.904 -5.727 4.415 1.00 0.00 C ATOM 249 C GLY A 361 4.557 -6.263 4.859 1.00 0.00 C ATOM 250 O GLY A 361 4.440 -6.861 5.929 1.00 0.00 O ATOM 0 H GLY A 361 5.331 -3.960 3.446 1.00 0.00 H new ATOM 0 HA2 GLY A 361 6.193 -6.209 3.481 1.00 0.00 H new ATOM 0 HA3 GLY A 361 6.659 -5.990 5.156 1.00 0.00 H new ATOM 254 N LYS A 362 3.536 -6.047 4.037 1.00 0.00 N ATOM 255 CA LYS A 362 2.190 -6.512 4.349 1.00 0.00 C ATOM 256 C LYS A 362 1.672 -7.450 3.264 1.00 0.00 C ATOM 257 O LYS A 362 2.224 -7.506 2.164 1.00 0.00 O ATOM 258 CB LYS A 362 1.240 -5.322 4.506 1.00 0.00 C ATOM 259 CG LYS A 362 1.614 -4.392 5.647 1.00 0.00 C ATOM 260 CD LYS A 362 0.926 -4.793 6.941 1.00 0.00 C ATOM 261 CE LYS A 362 -0.567 -4.512 6.890 1.00 0.00 C ATOM 262 NZ LYS A 362 -1.225 -4.767 8.202 1.00 0.00 N ATOM 0 H LYS A 362 3.615 -5.552 3.149 1.00 0.00 H new ATOM 0 HA LYS A 362 2.232 -7.062 5.289 1.00 0.00 H new ATOM 0 HB2 LYS A 362 1.225 -4.754 3.576 1.00 0.00 H new ATOM 0 HB3 LYS A 362 0.228 -5.694 4.668 1.00 0.00 H new ATOM 0 HG2 LYS A 362 2.695 -4.405 5.789 1.00 0.00 H new ATOM 0 HG3 LYS A 362 1.339 -3.369 5.389 1.00 0.00 H new ATOM 0 HD2 LYS A 362 1.091 -5.854 7.128 1.00 0.00 H new ATOM 0 HD3 LYS A 362 1.371 -4.249 7.774 1.00 0.00 H new ATOM 0 HE2 LYS A 362 -0.732 -3.475 6.597 1.00 0.00 H new ATOM 0 HE3 LYS A 362 -1.028 -5.137 6.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 362 -2.242 -4.564 8.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 362 -1.090 -5.763 8.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 362 -0.803 -4.153 8.927 1.00 0.00 H new ATOM 276 N ILE A 363 0.609 -8.183 3.578 1.00 0.00 N ATOM 277 CA ILE A 363 0.016 -9.115 2.628 1.00 0.00 C ATOM 278 C ILE A 363 -1.460 -8.806 2.403 1.00 0.00 C ATOM 279 O ILE A 363 -2.204 -8.552 3.350 1.00 0.00 O ATOM 280 CB ILE A 363 0.157 -10.572 3.107 1.00 0.00 C ATOM 281 CG1 ILE A 363 1.618 -10.884 3.440 1.00 0.00 C ATOM 282 CG2 ILE A 363 -0.366 -11.531 2.048 1.00 0.00 C ATOM 283 CD1 ILE A 363 2.540 -10.810 2.244 1.00 0.00 C ATOM 0 H ILE A 363 0.141 -8.149 4.484 1.00 0.00 H new ATOM 0 HA ILE A 363 0.557 -8.996 1.689 1.00 0.00 H new ATOM 0 HB ILE A 363 -0.438 -10.700 4.011 1.00 0.00 H new ATOM 0 HG12 ILE A 363 1.966 -10.185 4.200 1.00 0.00 H new ATOM 0 HG13 ILE A 363 1.678 -11.882 3.873 1.00 0.00 H new ATOM 0 HG21 ILE A 363 -0.259 -12.557 2.401 1.00 0.00 H new ATOM 0 HG22 ILE A 363 -1.418 -11.321 1.855 1.00 0.00 H new ATOM 0 HG23 ILE A 363 0.204 -11.403 1.128 1.00 0.00 H new ATOM 0 HD11 ILE A 363 3.559 -11.043 2.555 1.00 0.00 H new ATOM 0 HD12 ILE A 363 2.217 -11.529 1.491 1.00 0.00 H new ATOM 0 HD13 ILE A 363 2.510 -9.805 1.823 1.00 0.00 H new ATOM 295 N PHE A 364 -1.878 -8.832 1.142 1.00 0.00 N ATOM 296 CA PHE A 364 -3.267 -8.556 0.791 1.00 0.00 C ATOM 297 C PHE A 364 -3.752 -9.506 -0.300 1.00 0.00 C ATOM 298 O PHE A 364 -3.002 -9.855 -1.212 1.00 0.00 O ATOM 299 CB PHE A 364 -3.418 -7.106 0.325 1.00 0.00 C ATOM 300 CG PHE A 364 -2.831 -6.105 1.279 1.00 0.00 C ATOM 301 CD1 PHE A 364 -3.513 -5.743 2.430 1.00 0.00 C ATOM 302 CD2 PHE A 364 -1.598 -5.527 1.025 1.00 0.00 C ATOM 303 CE1 PHE A 364 -2.975 -4.823 3.310 1.00 0.00 C ATOM 304 CE2 PHE A 364 -1.056 -4.606 1.901 1.00 0.00 C ATOM 305 CZ PHE A 364 -1.745 -4.253 3.045 1.00 0.00 C ATOM 0 H PHE A 364 -1.275 -9.041 0.346 1.00 0.00 H new ATOM 0 HA PHE A 364 -3.878 -8.711 1.680 1.00 0.00 H new ATOM 0 HB2 PHE A 364 -2.939 -6.994 -0.647 1.00 0.00 H new ATOM 0 HB3 PHE A 364 -4.476 -6.886 0.186 1.00 0.00 H new ATOM 0 HD1 PHE A 364 -4.476 -6.185 2.642 1.00 0.00 H new ATOM 0 HD2 PHE A 364 -1.054 -5.799 0.132 1.00 0.00 H new ATOM 0 HE1 PHE A 364 -3.516 -4.550 4.204 1.00 0.00 H new ATOM 0 HE2 PHE A 364 -0.094 -4.162 1.691 1.00 0.00 H new ATOM 0 HZ PHE A 364 -1.323 -3.533 3.731 1.00 0.00 H new ATOM 315 N ARG A 365 -5.010 -9.920 -0.199 1.00 0.00 N ATOM 316 CA ARG A 365 -5.596 -10.831 -1.175 1.00 0.00 C ATOM 317 C ARG A 365 -5.869 -10.113 -2.493 1.00 0.00 C ATOM 318 O ARG A 365 -5.476 -10.583 -3.561 1.00 0.00 O ATOM 319 CB ARG A 365 -6.893 -11.431 -0.630 1.00 0.00 C ATOM 320 CG ARG A 365 -6.715 -12.179 0.681 1.00 0.00 C ATOM 321 CD ARG A 365 -8.009 -12.846 1.122 1.00 0.00 C ATOM 322 NE ARG A 365 -8.870 -11.931 1.867 1.00 0.00 N ATOM 323 CZ ARG A 365 -9.924 -12.326 2.573 1.00 0.00 C ATOM 324 NH1 ARG A 365 -10.244 -13.611 2.631 1.00 0.00 N ATOM 325 NH2 ARG A 365 -10.659 -11.433 3.225 1.00 0.00 N ATOM 0 H ARG A 365 -5.644 -9.639 0.549 1.00 0.00 H new ATOM 0 HA ARG A 365 -4.882 -11.634 -1.360 1.00 0.00 H new ATOM 0 HB2 ARG A 365 -7.621 -10.632 -0.487 1.00 0.00 H new ATOM 0 HB3 ARG A 365 -7.309 -12.111 -1.373 1.00 0.00 H new ATOM 0 HG2 ARG A 365 -5.936 -12.933 0.568 1.00 0.00 H new ATOM 0 HG3 ARG A 365 -6.379 -11.487 1.453 1.00 0.00 H new ATOM 0 HD2 ARG A 365 -8.543 -13.215 0.247 1.00 0.00 H new ATOM 0 HD3 ARG A 365 -7.777 -13.712 1.742 1.00 0.00 H new ATOM 0 HE ARG A 365 -8.650 -10.935 1.844 1.00 0.00 H new ATOM 0 HH11 ARG A 365 -9.680 -14.300 2.133 1.00 0.00 H new ATOM 0 HH12 ARG A 365 -11.054 -13.911 3.174 1.00 0.00 H new ATOM 0 HH21 ARG A 365 -10.415 -10.444 3.184 1.00 0.00 H new ATOM 0 HH22 ARG A 365 -11.468 -11.736 3.767 1.00 0.00 H new ATOM 339 N ASP A 366 -6.545 -8.972 -2.410 1.00 0.00 N ATOM 340 CA ASP A 366 -6.870 -8.189 -3.596 1.00 0.00 C ATOM 341 C ASP A 366 -6.111 -6.865 -3.598 1.00 0.00 C ATOM 342 O ASP A 366 -5.543 -6.462 -2.583 1.00 0.00 O ATOM 343 CB ASP A 366 -8.376 -7.927 -3.663 1.00 0.00 C ATOM 344 CG ASP A 366 -8.865 -7.723 -5.084 1.00 0.00 C ATOM 345 OD1 ASP A 366 -8.258 -8.302 -6.010 1.00 0.00 O ATOM 346 OD2 ASP A 366 -9.856 -6.986 -5.270 1.00 0.00 O ATOM 0 H ASP A 366 -6.878 -8.569 -1.534 1.00 0.00 H new ATOM 0 HA ASP A 366 -6.569 -8.762 -4.473 1.00 0.00 H new ATOM 0 HB2 ASP A 366 -8.908 -8.766 -3.216 1.00 0.00 H new ATOM 0 HB3 ASP A 366 -8.615 -7.045 -3.069 1.00 0.00 H new ATOM 351 N VAL A 367 -6.104 -6.195 -4.746 1.00 0.00 N ATOM 352 CA VAL A 367 -5.414 -4.917 -4.881 1.00 0.00 C ATOM 353 C VAL A 367 -6.229 -3.785 -4.265 1.00 0.00 C ATOM 354 O VAL A 367 -5.676 -2.780 -3.819 1.00 0.00 O ATOM 355 CB VAL A 367 -5.130 -4.586 -6.358 1.00 0.00 C ATOM 356 CG1 VAL A 367 -4.422 -3.245 -6.478 1.00 0.00 C ATOM 357 CG2 VAL A 367 -4.309 -5.692 -7.003 1.00 0.00 C ATOM 0 H VAL A 367 -6.568 -6.516 -5.596 1.00 0.00 H new ATOM 0 HA VAL A 367 -4.467 -5.010 -4.349 1.00 0.00 H new ATOM 0 HB VAL A 367 -6.081 -4.516 -6.886 1.00 0.00 H new ATOM 0 HG11 VAL A 367 -4.230 -3.028 -7.529 1.00 0.00 H new ATOM 0 HG12 VAL A 367 -5.052 -2.462 -6.055 1.00 0.00 H new ATOM 0 HG13 VAL A 367 -3.477 -3.283 -5.936 1.00 0.00 H new ATOM 0 HG21 VAL A 367 -4.118 -5.442 -8.046 1.00 0.00 H new ATOM 0 HG22 VAL A 367 -3.361 -5.797 -6.475 1.00 0.00 H new ATOM 0 HG23 VAL A 367 -4.859 -6.631 -6.950 1.00 0.00 H new ATOM 367 N TYR A 368 -7.546 -3.956 -4.243 1.00 0.00 N ATOM 368 CA TYR A 368 -8.438 -2.948 -3.684 1.00 0.00 C ATOM 369 C TYR A 368 -8.004 -2.559 -2.274 1.00 0.00 C ATOM 370 O TYR A 368 -8.200 -1.422 -1.843 1.00 0.00 O ATOM 371 CB TYR A 368 -9.877 -3.465 -3.662 1.00 0.00 C ATOM 372 CG TYR A 368 -10.882 -2.442 -3.181 1.00 0.00 C ATOM 373 CD1 TYR A 368 -10.847 -1.134 -3.647 1.00 0.00 C ATOM 374 CD2 TYR A 368 -11.866 -2.785 -2.263 1.00 0.00 C ATOM 375 CE1 TYR A 368 -11.762 -0.196 -3.209 1.00 0.00 C ATOM 376 CE2 TYR A 368 -12.786 -1.854 -1.821 1.00 0.00 C ATOM 377 CZ TYR A 368 -12.730 -0.561 -2.297 1.00 0.00 C ATOM 378 OH TYR A 368 -13.645 0.370 -1.860 1.00 0.00 O ATOM 0 H TYR A 368 -8.019 -4.783 -4.606 1.00 0.00 H new ATOM 0 HA TYR A 368 -8.387 -2.063 -4.318 1.00 0.00 H new ATOM 0 HB2 TYR A 368 -10.153 -3.789 -4.666 1.00 0.00 H new ATOM 0 HB3 TYR A 368 -9.929 -4.343 -3.018 1.00 0.00 H new ATOM 0 HD1 TYR A 368 -10.092 -0.845 -4.363 1.00 0.00 H new ATOM 0 HD2 TYR A 368 -11.913 -3.797 -1.888 1.00 0.00 H new ATOM 0 HE1 TYR A 368 -11.719 0.818 -3.579 1.00 0.00 H new ATOM 0 HE2 TYR A 368 -13.545 -2.137 -1.107 1.00 0.00 H new ATOM 0 HH TYR A 368 -14.258 -0.049 -1.221 1.00 0.00 H new ATOM 388 N HIS A 369 -7.413 -3.512 -1.560 1.00 0.00 N ATOM 389 CA HIS A 369 -6.950 -3.270 -0.198 1.00 0.00 C ATOM 390 C HIS A 369 -5.629 -2.506 -0.201 1.00 0.00 C ATOM 391 O HIS A 369 -5.364 -1.700 0.692 1.00 0.00 O ATOM 392 CB HIS A 369 -6.785 -4.593 0.550 1.00 0.00 C ATOM 393 CG HIS A 369 -8.085 -5.238 0.920 1.00 0.00 C ATOM 394 ND1 HIS A 369 -9.007 -5.662 -0.014 1.00 0.00 N ATOM 395 CD2 HIS A 369 -8.615 -5.533 2.130 1.00 0.00 C ATOM 396 CE1 HIS A 369 -10.049 -6.187 0.606 1.00 0.00 C ATOM 397 NE2 HIS A 369 -9.835 -6.122 1.908 1.00 0.00 N ATOM 0 H HIS A 369 -7.244 -4.458 -1.902 1.00 0.00 H new ATOM 0 HA HIS A 369 -7.699 -2.664 0.312 1.00 0.00 H new ATOM 0 HB2 HIS A 369 -6.210 -5.282 -0.069 1.00 0.00 H new ATOM 0 HB3 HIS A 369 -6.204 -4.419 1.456 1.00 0.00 H new ATOM 0 HD2 HIS A 369 -8.162 -5.341 3.091 1.00 0.00 H new ATOM 0 HE1 HIS A 369 -10.926 -6.599 0.130 1.00 0.00 H new ATOM 0 HE2 HIS A 369 -10.473 -6.455 2.631 1.00 0.00 H new ATOM 405 N LEU A 370 -4.804 -2.765 -1.210 1.00 0.00 N ATOM 406 CA LEU A 370 -3.510 -2.103 -1.329 1.00 0.00 C ATOM 407 C LEU A 370 -3.678 -0.657 -1.786 1.00 0.00 C ATOM 408 O LEU A 370 -2.847 0.199 -1.487 1.00 0.00 O ATOM 409 CB LEU A 370 -2.616 -2.860 -2.313 1.00 0.00 C ATOM 410 CG LEU A 370 -1.294 -2.183 -2.676 1.00 0.00 C ATOM 411 CD1 LEU A 370 -0.371 -2.132 -1.468 1.00 0.00 C ATOM 412 CD2 LEU A 370 -0.623 -2.909 -3.832 1.00 0.00 C ATOM 0 H LEU A 370 -5.008 -3.429 -1.957 1.00 0.00 H new ATOM 0 HA LEU A 370 -3.039 -2.102 -0.346 1.00 0.00 H new ATOM 0 HB2 LEU A 370 -2.395 -3.841 -1.892 1.00 0.00 H new ATOM 0 HB3 LEU A 370 -3.180 -3.027 -3.231 1.00 0.00 H new ATOM 0 HG LEU A 370 -1.505 -1.161 -2.989 1.00 0.00 H new ATOM 0 HD11 LEU A 370 0.565 -1.647 -1.745 1.00 0.00 H new ATOM 0 HD12 LEU A 370 -0.849 -1.567 -0.668 1.00 0.00 H new ATOM 0 HD13 LEU A 370 -0.166 -3.146 -1.124 1.00 0.00 H new ATOM 0 HD21 LEU A 370 0.316 -2.413 -4.077 1.00 0.00 H new ATOM 0 HD22 LEU A 370 -0.425 -3.942 -3.547 1.00 0.00 H new ATOM 0 HD23 LEU A 370 -1.279 -2.892 -4.702 1.00 0.00 H new ATOM 424 N ASN A 371 -4.760 -0.393 -2.510 1.00 0.00 N ATOM 425 CA ASN A 371 -5.039 0.949 -3.007 1.00 0.00 C ATOM 426 C ASN A 371 -5.018 1.966 -1.869 1.00 0.00 C ATOM 427 O ASN A 371 -4.229 2.911 -1.882 1.00 0.00 O ATOM 428 CB ASN A 371 -6.397 0.984 -3.711 1.00 0.00 C ATOM 429 CG ASN A 371 -6.329 0.439 -5.125 1.00 0.00 C ATOM 430 OD1 ASN A 371 -6.830 -0.649 -5.408 1.00 0.00 O ATOM 431 ND2 ASN A 371 -5.705 1.195 -6.021 1.00 0.00 N ATOM 0 H ASN A 371 -5.458 -1.091 -2.766 1.00 0.00 H new ATOM 0 HA ASN A 371 -4.260 1.213 -3.722 1.00 0.00 H new ATOM 0 HB2 ASN A 371 -7.117 0.403 -3.135 1.00 0.00 H new ATOM 0 HB3 ASN A 371 -6.763 2.010 -3.737 1.00 0.00 H new ATOM 0 HD21 ASN A 371 -5.627 0.880 -6.988 1.00 0.00 H new ATOM 0 HD22 ASN A 371 -5.304 2.091 -5.742 1.00 0.00 H new ATOM 438 N ARG A 372 -5.889 1.763 -0.886 1.00 0.00 N ATOM 439 CA ARG A 372 -5.971 2.662 0.259 1.00 0.00 C ATOM 440 C ARG A 372 -4.711 2.568 1.115 1.00 0.00 C ATOM 441 O ARG A 372 -4.255 3.564 1.677 1.00 0.00 O ATOM 442 CB ARG A 372 -7.202 2.332 1.106 1.00 0.00 C ATOM 443 CG ARG A 372 -7.535 3.398 2.136 1.00 0.00 C ATOM 444 CD ARG A 372 -8.981 3.295 2.597 1.00 0.00 C ATOM 445 NE ARG A 372 -9.384 4.448 3.398 1.00 0.00 N ATOM 446 CZ ARG A 372 -9.090 4.586 4.686 1.00 0.00 C ATOM 447 NH1 ARG A 372 -8.394 3.649 5.315 1.00 0.00 N ATOM 448 NH2 ARG A 372 -9.492 5.664 5.347 1.00 0.00 N ATOM 0 H ARG A 372 -6.547 0.984 -0.859 1.00 0.00 H new ATOM 0 HA ARG A 372 -6.059 3.682 -0.116 1.00 0.00 H new ATOM 0 HB2 ARG A 372 -8.060 2.194 0.447 1.00 0.00 H new ATOM 0 HB3 ARG A 372 -7.037 1.383 1.617 1.00 0.00 H new ATOM 0 HG2 ARG A 372 -6.870 3.297 2.994 1.00 0.00 H new ATOM 0 HG3 ARG A 372 -7.357 4.385 1.710 1.00 0.00 H new ATOM 0 HD2 ARG A 372 -9.633 3.212 1.728 1.00 0.00 H new ATOM 0 HD3 ARG A 372 -9.111 2.384 3.182 1.00 0.00 H new ATOM 0 HE ARG A 372 -9.920 5.187 2.944 1.00 0.00 H new ATOM 0 HH11 ARG A 372 -8.083 2.819 4.810 1.00 0.00 H new ATOM 0 HH12 ARG A 372 -8.170 3.758 6.304 1.00 0.00 H new ATOM 0 HH21 ARG A 372 -10.027 6.387 4.866 1.00 0.00 H new ATOM 0 HH22 ARG A 372 -9.266 5.770 6.336 1.00 0.00 H new ATOM 462 N HIS A 373 -4.154 1.365 1.209 1.00 0.00 N ATOM 463 CA HIS A 373 -2.947 1.141 1.996 1.00 0.00 C ATOM 464 C HIS A 373 -1.784 1.967 1.454 1.00 0.00 C ATOM 465 O HIS A 373 -0.858 2.310 2.189 1.00 0.00 O ATOM 466 CB HIS A 373 -2.579 -0.343 1.993 1.00 0.00 C ATOM 467 CG HIS A 373 -1.254 -0.633 2.629 1.00 0.00 C ATOM 468 ND1 HIS A 373 -1.106 -0.895 3.975 1.00 0.00 N ATOM 469 CD2 HIS A 373 -0.012 -0.703 2.095 1.00 0.00 C ATOM 470 CE1 HIS A 373 0.169 -1.112 4.241 1.00 0.00 C ATOM 471 NE2 HIS A 373 0.854 -1.002 3.117 1.00 0.00 N ATOM 0 H HIS A 373 -4.519 0.530 0.750 1.00 0.00 H new ATOM 0 HA HIS A 373 -3.147 1.456 3.020 1.00 0.00 H new ATOM 0 HB2 HIS A 373 -3.354 -0.902 2.517 1.00 0.00 H new ATOM 0 HB3 HIS A 373 -2.566 -0.704 0.964 1.00 0.00 H new ATOM 0 HD1 HIS A 373 -1.863 -0.918 4.658 1.00 0.00 H new ATOM 0 HD2 HIS A 373 0.249 -0.552 1.058 1.00 0.00 H new ATOM 0 HE1 HIS A 373 0.582 -1.341 5.213 1.00 0.00 H new ATOM 479 N LYS A 374 -1.839 2.282 0.165 1.00 0.00 N ATOM 480 CA LYS A 374 -0.791 3.068 -0.476 1.00 0.00 C ATOM 481 C LYS A 374 -0.866 4.529 -0.045 1.00 0.00 C ATOM 482 O LYS A 374 0.158 5.165 0.209 1.00 0.00 O ATOM 483 CB LYS A 374 -0.909 2.967 -1.999 1.00 0.00 C ATOM 484 CG LYS A 374 -0.455 1.630 -2.557 1.00 0.00 C ATOM 485 CD LYS A 374 -1.203 1.275 -3.832 1.00 0.00 C ATOM 486 CE LYS A 374 -0.961 2.306 -4.925 1.00 0.00 C ATOM 487 NZ LYS A 374 -1.963 3.406 -4.881 1.00 0.00 N ATOM 0 H LYS A 374 -2.598 2.005 -0.457 1.00 0.00 H new ATOM 0 HA LYS A 374 0.173 2.665 -0.165 1.00 0.00 H new ATOM 0 HB2 LYS A 374 -1.946 3.138 -2.287 1.00 0.00 H new ATOM 0 HB3 LYS A 374 -0.317 3.761 -2.454 1.00 0.00 H new ATOM 0 HG2 LYS A 374 0.615 1.664 -2.759 1.00 0.00 H new ATOM 0 HG3 LYS A 374 -0.614 0.851 -1.812 1.00 0.00 H new ATOM 0 HD2 LYS A 374 -0.885 0.292 -4.180 1.00 0.00 H new ATOM 0 HD3 LYS A 374 -2.271 1.209 -3.623 1.00 0.00 H new ATOM 0 HE2 LYS A 374 0.040 2.722 -4.816 1.00 0.00 H new ATOM 0 HE3 LYS A 374 -0.999 1.818 -5.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 374 -2.151 3.743 -5.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 374 -2.846 3.054 -4.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 374 -1.593 4.190 -4.306 1.00 0.00 H new ATOM 501 N LEU A 375 -2.083 5.055 0.037 1.00 0.00 N ATOM 502 CA LEU A 375 -2.292 6.441 0.440 1.00 0.00 C ATOM 503 C LEU A 375 -1.645 6.719 1.793 1.00 0.00 C ATOM 504 O LEU A 375 -1.030 7.765 1.995 1.00 0.00 O ATOM 505 CB LEU A 375 -3.788 6.755 0.503 1.00 0.00 C ATOM 506 CG LEU A 375 -4.509 6.860 -0.841 1.00 0.00 C ATOM 507 CD1 LEU A 375 -6.014 6.749 -0.649 1.00 0.00 C ATOM 508 CD2 LEU A 375 -4.152 8.165 -1.537 1.00 0.00 C ATOM 0 H LEU A 375 -2.940 4.542 -0.170 1.00 0.00 H new ATOM 0 HA LEU A 375 -1.823 7.084 -0.305 1.00 0.00 H new ATOM 0 HB2 LEU A 375 -4.277 5.981 1.095 1.00 0.00 H new ATOM 0 HB3 LEU A 375 -3.919 7.696 1.037 1.00 0.00 H new ATOM 0 HG LEU A 375 -4.183 6.034 -1.473 1.00 0.00 H new ATOM 0 HD11 LEU A 375 -6.511 6.826 -1.616 1.00 0.00 H new ATOM 0 HD12 LEU A 375 -6.253 5.788 -0.194 1.00 0.00 H new ATOM 0 HD13 LEU A 375 -6.358 7.554 0.001 1.00 0.00 H new ATOM 0 HD21 LEU A 375 -4.674 8.223 -2.492 1.00 0.00 H new ATOM 0 HD22 LEU A 375 -4.449 9.005 -0.910 1.00 0.00 H new ATOM 0 HD23 LEU A 375 -3.076 8.203 -1.709 1.00 0.00 H new ATOM 520 N SER A 376 -1.786 5.773 2.716 1.00 0.00 N ATOM 521 CA SER A 376 -1.217 5.916 4.051 1.00 0.00 C ATOM 522 C SER A 376 0.288 6.155 3.977 1.00 0.00 C ATOM 523 O SER A 376 0.839 6.954 4.735 1.00 0.00 O ATOM 524 CB SER A 376 -1.505 4.668 4.888 1.00 0.00 C ATOM 525 OG SER A 376 -2.819 4.701 5.417 1.00 0.00 O ATOM 0 H SER A 376 -2.290 4.899 2.564 1.00 0.00 H new ATOM 0 HA SER A 376 -1.682 6.779 4.527 1.00 0.00 H new ATOM 0 HB2 SER A 376 -1.379 3.777 4.273 1.00 0.00 H new ATOM 0 HB3 SER A 376 -0.784 4.598 5.702 1.00 0.00 H new ATOM 0 HG SER A 376 -2.979 3.892 5.946 1.00 0.00 H new ATOM 531 N HIS A 377 0.947 5.458 3.057 1.00 0.00 N ATOM 532 CA HIS A 377 2.389 5.595 2.882 1.00 0.00 C ATOM 533 C HIS A 377 2.750 7.005 2.425 1.00 0.00 C ATOM 534 O HIS A 377 1.968 7.665 1.741 1.00 0.00 O ATOM 535 CB HIS A 377 2.900 4.571 1.868 1.00 0.00 C ATOM 536 CG HIS A 377 3.105 3.205 2.447 1.00 0.00 C ATOM 537 ND1 HIS A 377 3.656 2.990 3.693 1.00 0.00 N ATOM 538 CD2 HIS A 377 2.826 1.979 1.944 1.00 0.00 C ATOM 539 CE1 HIS A 377 3.710 1.692 3.930 1.00 0.00 C ATOM 540 NE2 HIS A 377 3.212 1.056 2.885 1.00 0.00 N ATOM 0 H HIS A 377 0.506 4.793 2.421 1.00 0.00 H new ATOM 0 HA HIS A 377 2.866 5.411 3.845 1.00 0.00 H new ATOM 0 HB2 HIS A 377 2.191 4.504 1.043 1.00 0.00 H new ATOM 0 HB3 HIS A 377 3.843 4.925 1.450 1.00 0.00 H new ATOM 0 HD1 HIS A 377 3.972 3.720 4.332 1.00 0.00 H new ATOM 0 HD2 HIS A 377 2.383 1.767 0.982 1.00 0.00 H new ATOM 0 HE1 HIS A 377 4.096 1.229 4.826 1.00 0.00 H new ATOM 548 N SER A 378 3.938 7.461 2.809 1.00 0.00 N ATOM 549 CA SER A 378 4.400 8.794 2.442 1.00 0.00 C ATOM 550 C SER A 378 4.767 8.855 0.963 1.00 0.00 C ATOM 551 O SER A 378 5.543 8.036 0.471 1.00 0.00 O ATOM 552 CB SER A 378 5.606 9.192 3.296 1.00 0.00 C ATOM 553 OG SER A 378 5.228 9.402 4.646 1.00 0.00 O ATOM 0 H SER A 378 4.598 6.927 3.374 1.00 0.00 H new ATOM 0 HA SER A 378 3.587 9.496 2.625 1.00 0.00 H new ATOM 0 HB2 SER A 378 6.365 8.412 3.245 1.00 0.00 H new ATOM 0 HB3 SER A 378 6.055 10.101 2.895 1.00 0.00 H new ATOM 0 HG SER A 378 6.016 9.653 5.171 1.00 0.00 H new ATOM 559 N GLY A 379 4.203 9.831 0.259 1.00 0.00 N ATOM 560 CA GLY A 379 4.483 9.981 -1.157 1.00 0.00 C ATOM 561 C GLY A 379 5.768 10.741 -1.417 1.00 0.00 C ATOM 562 O GLY A 379 6.317 11.372 -0.514 1.00 0.00 O ATOM 0 H GLY A 379 3.557 10.521 0.644 1.00 0.00 H new ATOM 0 HA2 GLY A 379 4.548 8.995 -1.618 1.00 0.00 H new ATOM 0 HA3 GLY A 379 3.653 10.502 -1.635 1.00 0.00 H new ATOM 566 N GLU A 380 6.251 10.679 -2.655 1.00 0.00 N ATOM 567 CA GLU A 380 7.482 11.365 -3.029 1.00 0.00 C ATOM 568 C GLU A 380 7.187 12.773 -3.538 1.00 0.00 C ATOM 569 O GLU A 380 6.771 12.957 -4.682 1.00 0.00 O ATOM 570 CB GLU A 380 8.230 10.569 -4.101 1.00 0.00 C ATOM 571 CG GLU A 380 9.710 10.903 -4.185 1.00 0.00 C ATOM 572 CD GLU A 380 10.458 10.000 -5.147 1.00 0.00 C ATOM 573 OE1 GLU A 380 10.436 8.768 -4.944 1.00 0.00 O ATOM 574 OE2 GLU A 380 11.065 10.526 -6.103 1.00 0.00 O ATOM 0 H GLU A 380 5.809 10.161 -3.414 1.00 0.00 H new ATOM 0 HA GLU A 380 8.109 11.443 -2.141 1.00 0.00 H new ATOM 0 HB2 GLU A 380 8.117 9.504 -3.896 1.00 0.00 H new ATOM 0 HB3 GLU A 380 7.768 10.757 -5.070 1.00 0.00 H new ATOM 0 HG2 GLU A 380 9.827 11.940 -4.500 1.00 0.00 H new ATOM 0 HG3 GLU A 380 10.155 10.819 -3.193 1.00 0.00 H new ATOM 581 N LYS A 381 7.405 13.763 -2.680 1.00 0.00 N ATOM 582 CA LYS A 381 7.164 15.156 -3.041 1.00 0.00 C ATOM 583 C LYS A 381 8.364 16.026 -2.683 1.00 0.00 C ATOM 584 O LYS A 381 8.331 16.812 -1.736 1.00 0.00 O ATOM 585 CB LYS A 381 5.912 15.678 -2.332 1.00 0.00 C ATOM 586 CG LYS A 381 5.218 16.806 -3.076 1.00 0.00 C ATOM 587 CD LYS A 381 6.032 18.088 -3.030 1.00 0.00 C ATOM 588 CE LYS A 381 5.278 19.250 -3.658 1.00 0.00 C ATOM 589 NZ LYS A 381 4.885 18.961 -5.065 1.00 0.00 N ATOM 0 H LYS A 381 7.748 13.627 -1.729 1.00 0.00 H new ATOM 0 HA LYS A 381 7.011 15.205 -4.119 1.00 0.00 H new ATOM 0 HB2 LYS A 381 5.210 14.855 -2.200 1.00 0.00 H new ATOM 0 HB3 LYS A 381 6.187 16.026 -1.336 1.00 0.00 H new ATOM 0 HG2 LYS A 381 5.057 16.514 -4.114 1.00 0.00 H new ATOM 0 HG3 LYS A 381 4.236 16.982 -2.638 1.00 0.00 H new ATOM 0 HD2 LYS A 381 6.276 18.328 -1.995 1.00 0.00 H new ATOM 0 HD3 LYS A 381 6.976 17.940 -3.554 1.00 0.00 H new ATOM 0 HE2 LYS A 381 4.387 19.465 -3.069 1.00 0.00 H new ATOM 0 HE3 LYS A 381 5.901 20.144 -3.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 381 4.527 19.830 -5.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 381 5.712 18.616 -5.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 381 4.141 18.235 -5.075 1.00 0.00 H new ATOM 603 N PRO A 382 9.450 15.886 -3.458 1.00 0.00 N ATOM 604 CA PRO A 382 10.681 16.653 -3.242 1.00 0.00 C ATOM 605 C PRO A 382 10.510 18.130 -3.580 1.00 0.00 C ATOM 606 O PRO A 382 9.427 18.566 -3.972 1.00 0.00 O ATOM 607 CB PRO A 382 11.679 15.997 -4.199 1.00 0.00 C ATOM 608 CG PRO A 382 10.838 15.396 -5.271 1.00 0.00 C ATOM 609 CD PRO A 382 9.560 14.968 -4.604 1.00 0.00 C ATOM 0 HA PRO A 382 10.995 16.635 -2.198 1.00 0.00 H new ATOM 0 HB2 PRO A 382 12.376 16.729 -4.607 1.00 0.00 H new ATOM 0 HB3 PRO A 382 12.274 15.238 -3.691 1.00 0.00 H new ATOM 0 HG2 PRO A 382 10.642 16.118 -6.064 1.00 0.00 H new ATOM 0 HG3 PRO A 382 11.341 14.546 -5.732 1.00 0.00 H new ATOM 0 HD2 PRO A 382 8.706 15.059 -5.275 1.00 0.00 H new ATOM 0 HD3 PRO A 382 9.603 13.927 -4.283 1.00 0.00 H new ATOM 617 N TYR A 383 11.585 18.895 -3.427 1.00 0.00 N ATOM 618 CA TYR A 383 11.553 20.324 -3.715 1.00 0.00 C ATOM 619 C TYR A 383 12.404 20.653 -4.937 1.00 0.00 C ATOM 620 O TYR A 383 11.968 21.370 -5.837 1.00 0.00 O ATOM 621 CB TYR A 383 12.047 21.120 -2.506 1.00 0.00 C ATOM 622 CG TYR A 383 11.450 22.506 -2.408 1.00 0.00 C ATOM 623 CD1 TYR A 383 11.691 23.459 -3.389 1.00 0.00 C ATOM 624 CD2 TYR A 383 10.644 22.862 -1.334 1.00 0.00 C ATOM 625 CE1 TYR A 383 11.149 24.726 -3.303 1.00 0.00 C ATOM 626 CE2 TYR A 383 10.095 24.126 -1.240 1.00 0.00 C ATOM 627 CZ TYR A 383 10.351 25.055 -2.227 1.00 0.00 C ATOM 628 OH TYR A 383 9.808 26.316 -2.139 1.00 0.00 O ATOM 0 H TYR A 383 12.489 18.550 -3.105 1.00 0.00 H new ATOM 0 HA TYR A 383 10.521 20.603 -3.928 1.00 0.00 H new ATOM 0 HB2 TYR A 383 11.811 20.567 -1.597 1.00 0.00 H new ATOM 0 HB3 TYR A 383 13.133 21.204 -2.556 1.00 0.00 H new ATOM 0 HD1 TYR A 383 12.313 23.205 -4.234 1.00 0.00 H new ATOM 0 HD2 TYR A 383 10.443 22.138 -0.559 1.00 0.00 H new ATOM 0 HE1 TYR A 383 11.349 25.455 -4.074 1.00 0.00 H new ATOM 0 HE2 TYR A 383 9.469 24.385 -0.399 1.00 0.00 H new ATOM 0 HH TYR A 383 9.271 26.385 -1.322 1.00 0.00 H new ATOM 638 N SER A 384 13.623 20.123 -4.961 1.00 0.00 N ATOM 639 CA SER A 384 14.539 20.361 -6.071 1.00 0.00 C ATOM 640 C SER A 384 15.113 19.048 -6.593 1.00 0.00 C ATOM 641 O SER A 384 15.675 18.258 -5.835 1.00 0.00 O ATOM 642 CB SER A 384 15.674 21.289 -5.632 1.00 0.00 C ATOM 643 OG SER A 384 16.337 20.778 -4.489 1.00 0.00 O ATOM 0 H SER A 384 13.999 19.526 -4.225 1.00 0.00 H new ATOM 0 HA SER A 384 13.980 20.838 -6.876 1.00 0.00 H new ATOM 0 HB2 SER A 384 16.387 21.407 -6.448 1.00 0.00 H new ATOM 0 HB3 SER A 384 15.274 22.279 -5.412 1.00 0.00 H new ATOM 0 HG SER A 384 16.294 19.799 -4.496 1.00 0.00 H new ATOM 649 N SER A 385 14.967 18.822 -7.895 1.00 0.00 N ATOM 650 CA SER A 385 15.467 17.604 -8.520 1.00 0.00 C ATOM 651 C SER A 385 16.902 17.791 -9.003 1.00 0.00 C ATOM 652 O SER A 385 17.735 16.894 -8.875 1.00 0.00 O ATOM 653 CB SER A 385 14.571 17.201 -9.693 1.00 0.00 C ATOM 654 OG SER A 385 15.279 16.406 -10.627 1.00 0.00 O ATOM 0 H SER A 385 14.506 19.467 -8.537 1.00 0.00 H new ATOM 0 HA SER A 385 15.453 16.811 -7.773 1.00 0.00 H new ATOM 0 HB2 SER A 385 13.708 16.649 -9.322 1.00 0.00 H new ATOM 0 HB3 SER A 385 14.190 18.095 -10.187 1.00 0.00 H new ATOM 0 HG SER A 385 14.684 16.161 -11.366 1.00 0.00 H new ATOM 660 N GLY A 386 17.184 18.964 -9.561 1.00 0.00 N ATOM 661 CA GLY A 386 18.519 19.249 -10.055 1.00 0.00 C ATOM 662 C GLY A 386 18.585 20.553 -10.826 1.00 0.00 C ATOM 663 O GLY A 386 17.642 21.344 -10.831 1.00 0.00 O ATOM 0 H GLY A 386 16.512 19.722 -9.680 1.00 0.00 H new ATOM 0 HA2 GLY A 386 19.213 19.291 -9.215 1.00 0.00 H new ATOM 0 HA3 GLY A 386 18.847 18.433 -10.699 1.00 0.00 H new ATOM 667 N PRO A 387 19.723 20.792 -11.494 1.00 0.00 N ATOM 668 CA PRO A 387 19.937 22.009 -12.283 1.00 0.00 C ATOM 669 C PRO A 387 19.076 22.044 -13.541 1.00 0.00 C ATOM 670 O PRO A 387 18.199 21.200 -13.727 1.00 0.00 O ATOM 671 CB PRO A 387 21.421 21.937 -12.652 1.00 0.00 C ATOM 672 CG PRO A 387 21.750 20.484 -12.614 1.00 0.00 C ATOM 673 CD PRO A 387 20.889 19.893 -11.532 1.00 0.00 C ATOM 0 HA PRO A 387 19.665 22.907 -11.728 1.00 0.00 H new ATOM 0 HB2 PRO A 387 21.604 22.359 -13.640 1.00 0.00 H new ATOM 0 HB3 PRO A 387 22.032 22.500 -11.947 1.00 0.00 H new ATOM 0 HG2 PRO A 387 21.547 20.013 -13.576 1.00 0.00 H new ATOM 0 HG3 PRO A 387 22.807 20.329 -12.400 1.00 0.00 H new ATOM 0 HD2 PRO A 387 20.599 18.868 -11.764 1.00 0.00 H new ATOM 0 HD3 PRO A 387 21.408 19.868 -10.574 1.00 0.00 H new ATOM 681 N SER A 388 19.332 23.023 -14.402 1.00 0.00 N ATOM 682 CA SER A 388 18.578 23.169 -15.641 1.00 0.00 C ATOM 683 C SER A 388 19.517 23.321 -16.834 1.00 0.00 C ATOM 684 O SER A 388 20.333 24.241 -16.883 1.00 0.00 O ATOM 685 CB SER A 388 17.644 24.378 -15.556 1.00 0.00 C ATOM 686 OG SER A 388 17.166 24.745 -16.838 1.00 0.00 O ATOM 0 H SER A 388 20.057 23.728 -14.264 1.00 0.00 H new ATOM 0 HA SER A 388 17.982 22.268 -15.782 1.00 0.00 H new ATOM 0 HB2 SER A 388 16.802 24.146 -14.904 1.00 0.00 H new ATOM 0 HB3 SER A 388 18.173 25.219 -15.107 1.00 0.00 H new ATOM 0 HG SER A 388 16.570 25.519 -16.756 1.00 0.00 H new ATOM 692 N SER A 389 19.395 22.410 -17.795 1.00 0.00 N ATOM 693 CA SER A 389 20.235 22.439 -18.986 1.00 0.00 C ATOM 694 C SER A 389 19.386 22.593 -20.245 1.00 0.00 C ATOM 695 O SER A 389 18.170 22.412 -20.213 1.00 0.00 O ATOM 696 CB SER A 389 21.074 21.163 -19.076 1.00 0.00 C ATOM 697 OG SER A 389 21.619 20.822 -17.814 1.00 0.00 O ATOM 0 H SER A 389 18.723 21.643 -17.772 1.00 0.00 H new ATOM 0 HA SER A 389 20.901 23.298 -18.910 1.00 0.00 H new ATOM 0 HB2 SER A 389 20.457 20.343 -19.443 1.00 0.00 H new ATOM 0 HB3 SER A 389 21.879 21.303 -19.797 1.00 0.00 H new ATOM 0 HG SER A 389 22.149 20.002 -17.897 1.00 0.00 H new ATOM 703 N GLY A 390 20.039 22.930 -21.354 1.00 0.00 N ATOM 704 CA GLY A 390 19.330 23.103 -22.608 1.00 0.00 C ATOM 705 C GLY A 390 20.034 24.066 -23.544 1.00 0.00 C ATOM 706 O GLY A 390 21.215 24.342 -23.341 1.00 0.00 O ATOM 0 H GLY A 390 21.046 23.086 -21.406 1.00 0.00 H new ATOM 0 HA2 GLY A 390 19.225 22.135 -23.099 1.00 0.00 H new ATOM 0 HA3 GLY A 390 18.323 23.469 -22.405 1.00 0.00 H new TER 710 GLY A 390 HETATM 711 ZN ZN A 201 2.935 -0.836 2.829 1.00 0.00 ZN