USER MOD reduce.3.24.130724 H: found=0, std=0, add=349, rem=0, adj=17 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 32:sc= 0.511 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 38:sc= 1.11 USER MOD Single : A 353 LYS NZ :NH3+ 163:sc= -0.0116 (180deg=-0.127) USER MOD Single : A 354 GLN : amide:sc= -0.03 X(o=-0.03,f=0) USER MOD Single : A 362 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.014) USER MOD Single : A 368 TYR OH : rot 180:sc= 0 USER MOD Single : A 369 HIS : no HD1:sc=-0.00102 X(o=-0.001,f=0) USER MOD Single : A 371 ASN : amide:sc= -3.46! C(o=-3.5!,f=-7.7!) USER MOD Single : A 374 LYS NZ :NH3+ -149:sc= -0.231 (180deg=-1.12) 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+ -144:sc= 0.348 (180deg=0.0678) USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 384 SER OG : rot 180:sc= 0.00157 USER MOD Single : A 385 SER OG : rot 180:sc= 0 USER MOD Single : A 388 SER OG : rot 37:sc= 1.13 USER MOD Single : A 389 SER OG : rot 23:sc= 0.379 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 343 15.463 -31.127 -14.873 1.00 0.00 N ATOM 2 CA GLY A 343 14.192 -30.653 -15.389 1.00 0.00 C ATOM 3 C GLY A 343 13.313 -30.056 -14.308 1.00 0.00 C ATOM 4 O GLY A 343 13.749 -29.881 -13.171 1.00 0.00 O ATOM 0 HA2 GLY A 343 14.373 -29.904 -16.160 1.00 0.00 H new ATOM 0 HA3 GLY A 343 13.666 -31.480 -15.865 1.00 0.00 H new ATOM 8 N SER A 344 12.072 -29.740 -14.664 1.00 0.00 N ATOM 9 CA SER A 344 11.131 -29.153 -13.717 1.00 0.00 C ATOM 10 C SER A 344 9.720 -29.131 -14.297 1.00 0.00 C ATOM 11 O SER A 344 9.473 -28.515 -15.334 1.00 0.00 O ATOM 12 CB SER A 344 11.566 -27.734 -13.347 1.00 0.00 C ATOM 13 OG SER A 344 11.495 -26.871 -14.469 1.00 0.00 O ATOM 0 H SER A 344 11.695 -29.881 -15.601 1.00 0.00 H new ATOM 0 HA SER A 344 11.126 -29.769 -12.818 1.00 0.00 H new ATOM 0 HB2 SER A 344 10.930 -27.351 -12.549 1.00 0.00 H new ATOM 0 HB3 SER A 344 12.585 -27.751 -12.961 1.00 0.00 H new ATOM 0 HG SER A 344 10.762 -27.155 -15.054 1.00 0.00 H new ATOM 19 N SER A 345 8.798 -29.808 -13.619 1.00 0.00 N ATOM 20 CA SER A 345 7.412 -29.870 -14.068 1.00 0.00 C ATOM 21 C SER A 345 6.598 -28.722 -13.477 1.00 0.00 C ATOM 22 O SER A 345 6.703 -28.419 -12.289 1.00 0.00 O ATOM 23 CB SER A 345 6.786 -31.209 -13.675 1.00 0.00 C ATOM 24 OG SER A 345 6.868 -31.420 -12.276 1.00 0.00 O ATOM 0 H SER A 345 8.986 -30.321 -12.757 1.00 0.00 H new ATOM 0 HA SER A 345 7.403 -29.778 -15.154 1.00 0.00 H new ATOM 0 HB2 SER A 345 5.742 -31.232 -13.989 1.00 0.00 H new ATOM 0 HB3 SER A 345 7.294 -32.019 -14.198 1.00 0.00 H new ATOM 0 HG SER A 345 6.459 -32.282 -12.051 1.00 0.00 H new ATOM 30 N GLY A 346 5.786 -28.087 -14.316 1.00 0.00 N ATOM 31 CA GLY A 346 4.966 -26.980 -13.860 1.00 0.00 C ATOM 32 C GLY A 346 3.596 -27.429 -13.389 1.00 0.00 C ATOM 33 O GLY A 346 3.302 -28.624 -13.364 1.00 0.00 O ATOM 0 H GLY A 346 5.681 -28.319 -15.304 1.00 0.00 H new ATOM 0 HA2 GLY A 346 5.476 -26.465 -13.046 1.00 0.00 H new ATOM 0 HA3 GLY A 346 4.850 -26.260 -14.670 1.00 0.00 H new ATOM 37 N SER A 347 2.757 -26.469 -13.014 1.00 0.00 N ATOM 38 CA SER A 347 1.413 -26.772 -12.536 1.00 0.00 C ATOM 39 C SER A 347 0.372 -26.451 -13.604 1.00 0.00 C ATOM 40 O SER A 347 -0.307 -27.344 -14.111 1.00 0.00 O ATOM 41 CB SER A 347 1.112 -25.981 -11.261 1.00 0.00 C ATOM 42 OG SER A 347 -0.277 -25.970 -10.984 1.00 0.00 O ATOM 0 H SER A 347 2.984 -25.475 -13.032 1.00 0.00 H new ATOM 0 HA SER A 347 1.364 -27.838 -12.314 1.00 0.00 H new ATOM 0 HB2 SER A 347 1.650 -26.421 -10.421 1.00 0.00 H new ATOM 0 HB3 SER A 347 1.472 -24.958 -11.370 1.00 0.00 H new ATOM 0 HG SER A 347 -0.443 -25.460 -10.164 1.00 0.00 H new ATOM 48 N SER A 348 0.253 -25.171 -13.941 1.00 0.00 N ATOM 49 CA SER A 348 -0.707 -24.731 -14.946 1.00 0.00 C ATOM 50 C SER A 348 -2.126 -25.136 -14.556 1.00 0.00 C ATOM 51 O SER A 348 -2.890 -25.635 -15.380 1.00 0.00 O ATOM 52 CB SER A 348 -0.354 -25.321 -16.312 1.00 0.00 C ATOM 53 OG SER A 348 1.039 -25.240 -16.559 1.00 0.00 O ATOM 0 H SER A 348 0.810 -24.420 -13.533 1.00 0.00 H new ATOM 0 HA SER A 348 -0.661 -23.644 -15.005 1.00 0.00 H new ATOM 0 HB2 SER A 348 -0.674 -26.362 -16.355 1.00 0.00 H new ATOM 0 HB3 SER A 348 -0.896 -24.788 -17.093 1.00 0.00 H new ATOM 0 HG SER A 348 1.238 -25.625 -17.438 1.00 0.00 H new ATOM 59 N GLY A 349 -2.470 -24.916 -13.290 1.00 0.00 N ATOM 60 CA GLY A 349 -3.795 -25.263 -12.811 1.00 0.00 C ATOM 61 C GLY A 349 -4.662 -24.043 -12.568 1.00 0.00 C ATOM 62 O GLY A 349 -5.889 -24.139 -12.548 1.00 0.00 O ATOM 0 H GLY A 349 -1.855 -24.504 -12.588 1.00 0.00 H new ATOM 0 HA2 GLY A 349 -4.282 -25.912 -13.538 1.00 0.00 H new ATOM 0 HA3 GLY A 349 -3.706 -25.832 -11.885 1.00 0.00 H new ATOM 66 N ARG A 350 -4.023 -22.893 -12.380 1.00 0.00 N ATOM 67 CA ARG A 350 -4.743 -21.650 -12.133 1.00 0.00 C ATOM 68 C ARG A 350 -3.812 -20.448 -12.257 1.00 0.00 C ATOM 69 O ARG A 350 -2.689 -20.464 -11.753 1.00 0.00 O ATOM 70 CB ARG A 350 -5.382 -21.673 -10.743 1.00 0.00 C ATOM 71 CG ARG A 350 -6.569 -20.735 -10.603 1.00 0.00 C ATOM 72 CD ARG A 350 -7.802 -21.288 -11.299 1.00 0.00 C ATOM 73 NE ARG A 350 -8.740 -20.233 -11.674 1.00 0.00 N ATOM 74 CZ ARG A 350 -9.705 -20.392 -12.572 1.00 0.00 C ATOM 75 NH1 ARG A 350 -9.860 -21.558 -13.183 1.00 0.00 N ATOM 76 NH2 ARG A 350 -10.519 -19.384 -12.859 1.00 0.00 N ATOM 0 H ARG A 350 -3.008 -22.796 -12.394 1.00 0.00 H new ATOM 0 HA ARG A 350 -5.527 -21.559 -12.884 1.00 0.00 H new ATOM 0 HB2 ARG A 350 -5.704 -22.689 -10.517 1.00 0.00 H new ATOM 0 HB3 ARG A 350 -4.629 -21.406 -10.002 1.00 0.00 H new ATOM 0 HG2 ARG A 350 -6.786 -20.577 -9.547 1.00 0.00 H new ATOM 0 HG3 ARG A 350 -6.317 -19.762 -11.025 1.00 0.00 H new ATOM 0 HD2 ARG A 350 -7.499 -21.837 -12.191 1.00 0.00 H new ATOM 0 HD3 ARG A 350 -8.301 -21.999 -10.641 1.00 0.00 H new ATOM 0 HE ARG A 350 -8.649 -19.324 -11.221 1.00 0.00 H new ATOM 0 HH11 ARG A 350 -9.237 -22.335 -12.964 1.00 0.00 H new ATOM 0 HH12 ARG A 350 -10.602 -21.678 -13.872 1.00 0.00 H new ATOM 0 HH21 ARG A 350 -10.404 -18.486 -12.390 1.00 0.00 H new ATOM 0 HH22 ARG A 350 -11.260 -19.507 -13.549 1.00 0.00 H new ATOM 90 N THR A 351 -4.286 -19.406 -12.933 1.00 0.00 N ATOM 91 CA THR A 351 -3.496 -18.196 -13.126 1.00 0.00 C ATOM 92 C THR A 351 -4.005 -17.061 -12.245 1.00 0.00 C ATOM 93 O THR A 351 -5.037 -16.454 -12.533 1.00 0.00 O ATOM 94 CB THR A 351 -3.517 -17.739 -14.596 1.00 0.00 C ATOM 95 OG1 THR A 351 -4.853 -17.398 -14.984 1.00 0.00 O ATOM 96 CG2 THR A 351 -2.982 -18.831 -15.510 1.00 0.00 C ATOM 0 H THR A 351 -5.214 -19.376 -13.356 1.00 0.00 H new ATOM 0 HA THR A 351 -2.472 -18.440 -12.844 1.00 0.00 H new ATOM 0 HB THR A 351 -2.876 -16.862 -14.690 1.00 0.00 H new ATOM 0 HG1 THR A 351 -5.306 -16.952 -14.238 1.00 0.00 H new ATOM 0 HG21 THR A 351 -3.007 -18.485 -16.543 1.00 0.00 H new ATOM 0 HG22 THR A 351 -1.955 -19.068 -15.231 1.00 0.00 H new ATOM 0 HG23 THR A 351 -3.600 -19.723 -15.411 1.00 0.00 H new ATOM 104 N ARG A 352 -3.275 -16.778 -11.171 1.00 0.00 N ATOM 105 CA ARG A 352 -3.654 -15.716 -10.248 1.00 0.00 C ATOM 106 C ARG A 352 -2.535 -15.439 -9.248 1.00 0.00 C ATOM 107 O ARG A 352 -1.785 -16.341 -8.874 1.00 0.00 O ATOM 108 CB ARG A 352 -4.936 -16.091 -9.503 1.00 0.00 C ATOM 109 CG ARG A 352 -5.576 -14.926 -8.765 1.00 0.00 C ATOM 110 CD ARG A 352 -6.880 -15.336 -8.100 1.00 0.00 C ATOM 111 NE ARG A 352 -7.933 -15.600 -9.077 1.00 0.00 N ATOM 112 CZ ARG A 352 -8.604 -14.644 -9.711 1.00 0.00 C ATOM 113 NH1 ARG A 352 -8.333 -13.369 -9.471 1.00 0.00 N ATOM 114 NH2 ARG A 352 -9.548 -14.964 -10.587 1.00 0.00 N ATOM 0 H ARG A 352 -2.418 -17.270 -10.919 1.00 0.00 H new ATOM 0 HA ARG A 352 -3.831 -14.811 -10.829 1.00 0.00 H new ATOM 0 HB2 ARG A 352 -5.654 -16.497 -10.215 1.00 0.00 H new ATOM 0 HB3 ARG A 352 -4.712 -16.883 -8.789 1.00 0.00 H new ATOM 0 HG2 ARG A 352 -4.885 -14.548 -8.011 1.00 0.00 H new ATOM 0 HG3 ARG A 352 -5.763 -14.110 -9.463 1.00 0.00 H new ATOM 0 HD2 ARG A 352 -6.714 -16.228 -7.496 1.00 0.00 H new ATOM 0 HD3 ARG A 352 -7.205 -14.547 -7.421 1.00 0.00 H new ATOM 0 HE ARG A 352 -8.166 -16.571 -9.284 1.00 0.00 H new ATOM 0 HH11 ARG A 352 -7.608 -13.120 -8.798 1.00 0.00 H new ATOM 0 HH12 ARG A 352 -8.849 -12.637 -9.959 1.00 0.00 H new ATOM 0 HH21 ARG A 352 -9.759 -15.944 -10.774 1.00 0.00 H new ATOM 0 HH22 ARG A 352 -10.063 -14.230 -11.073 1.00 0.00 H new ATOM 128 N LYS A 353 -2.428 -14.186 -8.819 1.00 0.00 N ATOM 129 CA LYS A 353 -1.402 -13.789 -7.862 1.00 0.00 C ATOM 130 C LYS A 353 -1.980 -12.863 -6.797 1.00 0.00 C ATOM 131 O LYS A 353 -2.956 -12.155 -7.042 1.00 0.00 O ATOM 132 CB LYS A 353 -0.244 -13.095 -8.583 1.00 0.00 C ATOM 133 CG LYS A 353 -0.669 -11.872 -9.377 1.00 0.00 C ATOM 134 CD LYS A 353 -1.097 -12.243 -10.787 1.00 0.00 C ATOM 135 CE LYS A 353 -0.872 -11.095 -11.759 1.00 0.00 C ATOM 136 NZ LYS A 353 0.573 -10.902 -12.063 1.00 0.00 N ATOM 0 H LYS A 353 -3.040 -13.427 -9.119 1.00 0.00 H new ATOM 0 HA LYS A 353 -1.030 -14.689 -7.372 1.00 0.00 H new ATOM 0 HB2 LYS A 353 0.505 -12.799 -7.849 1.00 0.00 H new ATOM 0 HB3 LYS A 353 0.233 -13.807 -9.256 1.00 0.00 H new ATOM 0 HG2 LYS A 353 -1.492 -11.373 -8.865 1.00 0.00 H new ATOM 0 HG3 LYS A 353 0.156 -11.161 -9.422 1.00 0.00 H new ATOM 0 HD2 LYS A 353 -0.538 -13.117 -11.120 1.00 0.00 H new ATOM 0 HD3 LYS A 353 -2.151 -12.520 -10.787 1.00 0.00 H new ATOM 0 HE2 LYS A 353 -1.415 -11.290 -12.684 1.00 0.00 H new ATOM 0 HE3 LYS A 353 -1.280 -10.177 -11.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 353 0.673 -10.326 -12.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 353 1.034 -10.418 -11.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 353 1.023 -11.828 -12.213 1.00 0.00 H new ATOM 150 N GLN A 354 -1.370 -12.874 -5.616 1.00 0.00 N ATOM 151 CA GLN A 354 -1.825 -12.033 -4.515 1.00 0.00 C ATOM 152 C GLN A 354 -1.033 -10.732 -4.460 1.00 0.00 C ATOM 153 O GLN A 354 -0.135 -10.504 -5.271 1.00 0.00 O ATOM 154 CB GLN A 354 -1.693 -12.781 -3.187 1.00 0.00 C ATOM 155 CG GLN A 354 -0.256 -12.941 -2.719 1.00 0.00 C ATOM 156 CD GLN A 354 -0.058 -14.167 -1.850 1.00 0.00 C ATOM 157 OE1 GLN A 354 0.885 -14.935 -2.046 1.00 0.00 O ATOM 158 NE2 GLN A 354 -0.947 -14.358 -0.882 1.00 0.00 N ATOM 0 H GLN A 354 -0.561 -13.455 -5.397 1.00 0.00 H new ATOM 0 HA GLN A 354 -2.874 -11.791 -4.685 1.00 0.00 H new ATOM 0 HB2 GLN A 354 -2.258 -12.249 -2.422 1.00 0.00 H new ATOM 0 HB3 GLN A 354 -2.145 -13.768 -3.289 1.00 0.00 H new ATOM 0 HG2 GLN A 354 0.400 -13.006 -3.587 1.00 0.00 H new ATOM 0 HG3 GLN A 354 0.041 -12.053 -2.161 1.00 0.00 H new ATOM 0 HE21 GLN A 354 -1.713 -13.696 -0.755 1.00 0.00 H new ATOM 0 HE22 GLN A 354 -0.864 -15.166 -0.265 1.00 0.00 H new ATOM 167 N VAL A 355 -1.371 -9.879 -3.498 1.00 0.00 N ATOM 168 CA VAL A 355 -0.690 -8.599 -3.337 1.00 0.00 C ATOM 169 C VAL A 355 0.297 -8.644 -2.176 1.00 0.00 C ATOM 170 O VAL A 355 0.042 -9.285 -1.156 1.00 0.00 O ATOM 171 CB VAL A 355 -1.694 -7.456 -3.098 1.00 0.00 C ATOM 172 CG1 VAL A 355 -0.972 -6.119 -3.018 1.00 0.00 C ATOM 173 CG2 VAL A 355 -2.749 -7.436 -4.194 1.00 0.00 C ATOM 0 H VAL A 355 -2.112 -10.051 -2.818 1.00 0.00 H new ATOM 0 HA VAL A 355 -0.148 -8.410 -4.264 1.00 0.00 H new ATOM 0 HB VAL A 355 -2.195 -7.629 -2.146 1.00 0.00 H new ATOM 0 HG11 VAL A 355 -1.697 -5.323 -2.849 1.00 0.00 H new ATOM 0 HG12 VAL A 355 -0.258 -6.140 -2.195 1.00 0.00 H new ATOM 0 HG13 VAL A 355 -0.443 -5.935 -3.953 1.00 0.00 H new ATOM 0 HG21 VAL A 355 -3.450 -6.622 -4.009 1.00 0.00 H new ATOM 0 HG22 VAL A 355 -2.267 -7.287 -5.160 1.00 0.00 H new ATOM 0 HG23 VAL A 355 -3.287 -8.384 -4.199 1.00 0.00 H new ATOM 183 N ALA A 356 1.424 -7.960 -2.338 1.00 0.00 N ATOM 184 CA ALA A 356 2.449 -7.919 -1.302 1.00 0.00 C ATOM 185 C ALA A 356 3.107 -6.545 -1.234 1.00 0.00 C ATOM 186 O ALA A 356 3.776 -6.118 -2.175 1.00 0.00 O ATOM 187 CB ALA A 356 3.495 -8.995 -1.553 1.00 0.00 C ATOM 0 H ALA A 356 1.651 -7.426 -3.177 1.00 0.00 H new ATOM 0 HA ALA A 356 1.969 -8.110 -0.342 1.00 0.00 H new ATOM 0 HB1 ALA A 356 4.254 -8.953 -0.772 1.00 0.00 H new ATOM 0 HB2 ALA A 356 3.018 -9.975 -1.544 1.00 0.00 H new ATOM 0 HB3 ALA A 356 3.963 -8.828 -2.523 1.00 0.00 H new ATOM 193 N CYS A 357 2.912 -5.856 -0.114 1.00 0.00 N ATOM 194 CA CYS A 357 3.484 -4.529 0.077 1.00 0.00 C ATOM 195 C CYS A 357 4.916 -4.625 0.597 1.00 0.00 C ATOM 196 O CYS A 357 5.149 -5.055 1.726 1.00 0.00 O ATOM 197 CB CYS A 357 2.629 -3.718 1.052 1.00 0.00 C ATOM 198 SG CYS A 357 3.043 -1.944 1.105 1.00 0.00 S ATOM 0 H CYS A 357 2.362 -6.195 0.675 1.00 0.00 H new ATOM 0 HA CYS A 357 3.499 -4.024 -0.889 1.00 0.00 H new ATOM 0 HB2 CYS A 357 1.580 -3.827 0.777 1.00 0.00 H new ATOM 0 HB3 CYS A 357 2.741 -4.137 2.052 1.00 0.00 H new ATOM 203 N GLU A 358 5.870 -4.220 -0.236 1.00 0.00 N ATOM 204 CA GLU A 358 7.279 -4.261 0.140 1.00 0.00 C ATOM 205 C GLU A 358 7.649 -3.050 0.992 1.00 0.00 C ATOM 206 O GLU A 358 8.584 -3.104 1.792 1.00 0.00 O ATOM 207 CB GLU A 358 8.161 -4.309 -1.109 1.00 0.00 C ATOM 208 CG GLU A 358 8.239 -5.686 -1.747 1.00 0.00 C ATOM 209 CD GLU A 358 9.231 -6.596 -1.050 1.00 0.00 C ATOM 210 OE1 GLU A 358 8.921 -7.070 0.063 1.00 0.00 O ATOM 211 OE2 GLU A 358 10.318 -6.835 -1.618 1.00 0.00 O ATOM 0 H GLU A 358 5.693 -3.860 -1.174 1.00 0.00 H new ATOM 0 HA GLU A 358 7.447 -5.163 0.729 1.00 0.00 H new ATOM 0 HB2 GLU A 358 7.777 -3.600 -1.842 1.00 0.00 H new ATOM 0 HB3 GLU A 358 9.167 -3.982 -0.846 1.00 0.00 H new ATOM 0 HG2 GLU A 358 7.252 -6.148 -1.727 1.00 0.00 H new ATOM 0 HG3 GLU A 358 8.521 -5.582 -2.795 1.00 0.00 H new ATOM 218 N ILE A 359 6.910 -1.960 0.814 1.00 0.00 N ATOM 219 CA ILE A 359 7.161 -0.737 1.567 1.00 0.00 C ATOM 220 C ILE A 359 7.214 -1.015 3.065 1.00 0.00 C ATOM 221 O ILE A 359 8.185 -0.666 3.738 1.00 0.00 O ATOM 222 CB ILE A 359 6.080 0.325 1.291 1.00 0.00 C ATOM 223 CG1 ILE A 359 6.024 0.650 -0.203 1.00 0.00 C ATOM 224 CG2 ILE A 359 6.353 1.582 2.102 1.00 0.00 C ATOM 225 CD1 ILE A 359 4.740 1.331 -0.626 1.00 0.00 C ATOM 0 H ILE A 359 6.133 -1.899 0.156 1.00 0.00 H new ATOM 0 HA ILE A 359 8.127 -0.355 1.237 1.00 0.00 H new ATOM 0 HB ILE A 359 5.112 -0.075 1.593 1.00 0.00 H new ATOM 0 HG12 ILE A 359 6.867 1.291 -0.459 1.00 0.00 H new ATOM 0 HG13 ILE A 359 6.141 -0.272 -0.772 1.00 0.00 H new ATOM 0 HG21 ILE A 359 5.580 2.323 1.896 1.00 0.00 H new ATOM 0 HG22 ILE A 359 6.348 1.338 3.164 1.00 0.00 H new ATOM 0 HG23 ILE A 359 7.327 1.988 1.828 1.00 0.00 H new ATOM 0 HD11 ILE A 359 4.770 1.531 -1.697 1.00 0.00 H new ATOM 0 HD12 ILE A 359 3.893 0.682 -0.402 1.00 0.00 H new ATOM 0 HD13 ILE A 359 4.631 2.270 -0.084 1.00 0.00 H new ATOM 237 N CYS A 360 6.165 -1.646 3.582 1.00 0.00 N ATOM 238 CA CYS A 360 6.092 -1.973 5.001 1.00 0.00 C ATOM 239 C CYS A 360 6.334 -3.462 5.230 1.00 0.00 C ATOM 240 O CYS A 360 6.915 -3.859 6.239 1.00 0.00 O ATOM 241 CB CYS A 360 4.728 -1.574 5.567 1.00 0.00 C ATOM 242 SG CYS A 360 3.314 -2.337 4.708 1.00 0.00 S ATOM 0 H CYS A 360 5.353 -1.941 3.039 1.00 0.00 H new ATOM 0 HA CYS A 360 6.871 -1.413 5.518 1.00 0.00 H new ATOM 0 HB2 CYS A 360 4.690 -1.848 6.621 1.00 0.00 H new ATOM 0 HB3 CYS A 360 4.628 -0.490 5.516 1.00 0.00 H new ATOM 247 N GLY A 361 5.885 -4.281 4.284 1.00 0.00 N ATOM 248 CA GLY A 361 6.062 -5.717 4.400 1.00 0.00 C ATOM 249 C GLY A 361 4.804 -6.420 4.869 1.00 0.00 C ATOM 250 O GLY A 361 4.727 -6.878 6.009 1.00 0.00 O ATOM 0 H GLY A 361 5.402 -3.976 3.439 1.00 0.00 H new ATOM 0 HA2 GLY A 361 6.362 -6.122 3.434 1.00 0.00 H new ATOM 0 HA3 GLY A 361 6.873 -5.925 5.098 1.00 0.00 H new ATOM 254 N LYS A 362 3.813 -6.506 3.988 1.00 0.00 N ATOM 255 CA LYS A 362 2.551 -7.158 4.316 1.00 0.00 C ATOM 256 C LYS A 362 1.968 -7.862 3.094 1.00 0.00 C ATOM 257 O LYS A 362 2.368 -7.591 1.961 1.00 0.00 O ATOM 258 CB LYS A 362 1.549 -6.135 4.854 1.00 0.00 C ATOM 259 CG LYS A 362 1.924 -5.575 6.216 1.00 0.00 C ATOM 260 CD LYS A 362 0.936 -4.516 6.674 1.00 0.00 C ATOM 261 CE LYS A 362 1.521 -3.648 7.778 1.00 0.00 C ATOM 262 NZ LYS A 362 1.840 -4.441 8.997 1.00 0.00 N ATOM 0 H LYS A 362 3.860 -6.132 3.040 1.00 0.00 H new ATOM 0 HA LYS A 362 2.747 -7.905 5.085 1.00 0.00 H new ATOM 0 HB2 LYS A 362 1.464 -5.313 4.143 1.00 0.00 H new ATOM 0 HB3 LYS A 362 0.566 -6.602 4.920 1.00 0.00 H new ATOM 0 HG2 LYS A 362 1.957 -6.383 6.946 1.00 0.00 H new ATOM 0 HG3 LYS A 362 2.925 -5.145 6.171 1.00 0.00 H new ATOM 0 HD2 LYS A 362 0.654 -3.889 5.828 1.00 0.00 H new ATOM 0 HD3 LYS A 362 0.025 -4.997 7.032 1.00 0.00 H new ATOM 0 HE2 LYS A 362 2.426 -3.160 7.415 1.00 0.00 H new ATOM 0 HE3 LYS A 362 0.813 -2.859 8.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 362 2.156 -3.802 9.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 362 0.991 -4.954 9.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 362 2.596 -5.122 8.780 1.00 0.00 H new ATOM 276 N ILE A 363 1.021 -8.763 3.331 1.00 0.00 N ATOM 277 CA ILE A 363 0.382 -9.502 2.250 1.00 0.00 C ATOM 278 C ILE A 363 -1.131 -9.316 2.276 1.00 0.00 C ATOM 279 O ILE A 363 -1.792 -9.650 3.260 1.00 0.00 O ATOM 280 CB ILE A 363 0.705 -11.006 2.328 1.00 0.00 C ATOM 281 CG1 ILE A 363 2.217 -11.221 2.416 1.00 0.00 C ATOM 282 CG2 ILE A 363 0.129 -11.735 1.123 1.00 0.00 C ATOM 283 CD1 ILE A 363 2.966 -10.753 1.188 1.00 0.00 C ATOM 0 H ILE A 363 0.679 -8.999 4.263 1.00 0.00 H new ATOM 0 HA ILE A 363 0.779 -9.102 1.317 1.00 0.00 H new ATOM 0 HB ILE A 363 0.246 -11.415 3.228 1.00 0.00 H new ATOM 0 HG12 ILE A 363 2.601 -10.693 3.289 1.00 0.00 H new ATOM 0 HG13 ILE A 363 2.417 -12.281 2.571 1.00 0.00 H new ATOM 0 HG21 ILE A 363 0.366 -12.797 1.193 1.00 0.00 H new ATOM 0 HG22 ILE A 363 -0.953 -11.605 1.102 1.00 0.00 H new ATOM 0 HG23 ILE A 363 0.561 -11.326 0.210 1.00 0.00 H new ATOM 0 HD11 ILE A 363 4.032 -10.936 1.320 1.00 0.00 H new ATOM 0 HD12 ILE A 363 2.610 -11.299 0.314 1.00 0.00 H new ATOM 0 HD13 ILE A 363 2.797 -9.686 1.043 1.00 0.00 H new ATOM 295 N PHE A 364 -1.675 -8.783 1.187 1.00 0.00 N ATOM 296 CA PHE A 364 -3.112 -8.553 1.084 1.00 0.00 C ATOM 297 C PHE A 364 -3.754 -9.548 0.123 1.00 0.00 C ATOM 298 O PHE A 364 -3.065 -10.210 -0.654 1.00 0.00 O ATOM 299 CB PHE A 364 -3.389 -7.123 0.616 1.00 0.00 C ATOM 300 CG PHE A 364 -2.831 -6.073 1.535 1.00 0.00 C ATOM 301 CD1 PHE A 364 -3.570 -5.615 2.614 1.00 0.00 C ATOM 302 CD2 PHE A 364 -1.569 -5.544 1.319 1.00 0.00 C ATOM 303 CE1 PHE A 364 -3.059 -4.649 3.460 1.00 0.00 C ATOM 304 CE2 PHE A 364 -1.053 -4.578 2.162 1.00 0.00 C ATOM 305 CZ PHE A 364 -1.799 -4.130 3.234 1.00 0.00 C ATOM 0 H PHE A 364 -1.143 -8.502 0.363 1.00 0.00 H new ATOM 0 HA PHE A 364 -3.549 -8.695 2.072 1.00 0.00 H new ATOM 0 HB2 PHE A 364 -2.965 -6.986 -0.379 1.00 0.00 H new ATOM 0 HB3 PHE A 364 -4.466 -6.981 0.526 1.00 0.00 H new ATOM 0 HD1 PHE A 364 -4.556 -6.017 2.796 1.00 0.00 H new ATOM 0 HD2 PHE A 364 -0.981 -5.891 0.482 1.00 0.00 H new ATOM 0 HE1 PHE A 364 -3.645 -4.300 4.298 1.00 0.00 H new ATOM 0 HE2 PHE A 364 -0.068 -4.174 1.982 1.00 0.00 H new ATOM 0 HZ PHE A 364 -1.398 -3.375 3.894 1.00 0.00 H new ATOM 315 N ARG A 365 -5.078 -9.648 0.181 1.00 0.00 N ATOM 316 CA ARG A 365 -5.814 -10.563 -0.683 1.00 0.00 C ATOM 317 C ARG A 365 -6.021 -9.956 -2.067 1.00 0.00 C ATOM 318 O ARG A 365 -5.600 -10.525 -3.075 1.00 0.00 O ATOM 319 CB ARG A 365 -7.167 -10.910 -0.058 1.00 0.00 C ATOM 320 CG ARG A 365 -7.056 -11.623 1.279 1.00 0.00 C ATOM 321 CD ARG A 365 -8.323 -12.398 1.605 1.00 0.00 C ATOM 322 NE ARG A 365 -8.566 -12.470 3.043 1.00 0.00 N ATOM 323 CZ ARG A 365 -9.096 -11.478 3.750 1.00 0.00 C ATOM 324 NH1 ARG A 365 -9.437 -10.343 3.154 1.00 0.00 N ATOM 325 NH2 ARG A 365 -9.286 -11.619 5.055 1.00 0.00 N ATOM 0 H ARG A 365 -5.663 -9.107 0.817 1.00 0.00 H new ATOM 0 HA ARG A 365 -5.226 -11.475 -0.790 1.00 0.00 H new ATOM 0 HB2 ARG A 365 -7.742 -9.993 0.075 1.00 0.00 H new ATOM 0 HB3 ARG A 365 -7.727 -11.539 -0.750 1.00 0.00 H new ATOM 0 HG2 ARG A 365 -6.206 -12.305 1.259 1.00 0.00 H new ATOM 0 HG3 ARG A 365 -6.861 -10.894 2.066 1.00 0.00 H new ATOM 0 HD2 ARG A 365 -9.174 -11.923 1.117 1.00 0.00 H new ATOM 0 HD3 ARG A 365 -8.245 -13.407 1.200 1.00 0.00 H new ATOM 0 HE ARG A 365 -8.315 -13.329 3.532 1.00 0.00 H new ATOM 0 HH11 ARG A 365 -9.292 -10.230 2.151 1.00 0.00 H new ATOM 0 HH12 ARG A 365 -9.844 -9.583 3.699 1.00 0.00 H new ATOM 0 HH21 ARG A 365 -9.025 -12.490 5.517 1.00 0.00 H new ATOM 0 HH22 ARG A 365 -9.693 -10.856 5.596 1.00 0.00 H new ATOM 339 N ASP A 366 -6.672 -8.799 -2.108 1.00 0.00 N ATOM 340 CA ASP A 366 -6.935 -8.114 -3.369 1.00 0.00 C ATOM 341 C ASP A 366 -6.170 -6.796 -3.440 1.00 0.00 C ATOM 342 O ASP A 366 -5.692 -6.288 -2.426 1.00 0.00 O ATOM 343 CB ASP A 366 -8.434 -7.858 -3.532 1.00 0.00 C ATOM 344 CG ASP A 366 -8.844 -7.725 -4.985 1.00 0.00 C ATOM 345 OD1 ASP A 366 -8.915 -8.761 -5.679 1.00 0.00 O ATOM 346 OD2 ASP A 366 -9.092 -6.585 -5.430 1.00 0.00 O ATOM 0 H ASP A 366 -7.027 -8.315 -1.283 1.00 0.00 H new ATOM 0 HA ASP A 366 -6.594 -8.756 -4.181 1.00 0.00 H new ATOM 0 HB2 ASP A 366 -8.991 -8.675 -3.074 1.00 0.00 H new ATOM 0 HB3 ASP A 366 -8.705 -6.948 -2.996 1.00 0.00 H new ATOM 351 N VAL A 367 -6.058 -6.248 -4.646 1.00 0.00 N ATOM 352 CA VAL A 367 -5.352 -4.989 -4.851 1.00 0.00 C ATOM 353 C VAL A 367 -6.121 -3.822 -4.243 1.00 0.00 C ATOM 354 O VAL A 367 -5.533 -2.813 -3.851 1.00 0.00 O ATOM 355 CB VAL A 367 -5.119 -4.712 -6.348 1.00 0.00 C ATOM 356 CG1 VAL A 367 -4.222 -3.498 -6.534 1.00 0.00 C ATOM 357 CG2 VAL A 367 -4.524 -5.935 -7.029 1.00 0.00 C ATOM 0 H VAL A 367 -6.447 -6.656 -5.496 1.00 0.00 H new ATOM 0 HA VAL A 367 -4.387 -5.083 -4.353 1.00 0.00 H new ATOM 0 HB VAL A 367 -6.081 -4.497 -6.814 1.00 0.00 H new ATOM 0 HG11 VAL A 367 -4.069 -3.318 -7.598 1.00 0.00 H new ATOM 0 HG12 VAL A 367 -4.693 -2.625 -6.083 1.00 0.00 H new ATOM 0 HG13 VAL A 367 -3.260 -3.680 -6.055 1.00 0.00 H new ATOM 0 HG21 VAL A 367 -4.366 -5.722 -8.086 1.00 0.00 H new ATOM 0 HG22 VAL A 367 -3.571 -6.184 -6.562 1.00 0.00 H new ATOM 0 HG23 VAL A 367 -5.208 -6.777 -6.927 1.00 0.00 H new ATOM 367 N TYR A 368 -7.440 -3.965 -4.167 1.00 0.00 N ATOM 368 CA TYR A 368 -8.291 -2.922 -3.608 1.00 0.00 C ATOM 369 C TYR A 368 -7.811 -2.512 -2.219 1.00 0.00 C ATOM 370 O TYR A 368 -7.848 -1.336 -1.859 1.00 0.00 O ATOM 371 CB TYR A 368 -9.742 -3.402 -3.537 1.00 0.00 C ATOM 372 CG TYR A 368 -10.709 -2.341 -3.063 1.00 0.00 C ATOM 373 CD1 TYR A 368 -10.628 -1.038 -3.539 1.00 0.00 C ATOM 374 CD2 TYR A 368 -11.702 -2.640 -2.139 1.00 0.00 C ATOM 375 CE1 TYR A 368 -11.508 -0.064 -3.109 1.00 0.00 C ATOM 376 CE2 TYR A 368 -12.588 -1.673 -1.704 1.00 0.00 C ATOM 377 CZ TYR A 368 -12.487 -0.387 -2.192 1.00 0.00 C ATOM 378 OH TYR A 368 -13.366 0.579 -1.760 1.00 0.00 O ATOM 0 H TYR A 368 -7.943 -4.793 -4.486 1.00 0.00 H new ATOM 0 HA TYR A 368 -8.234 -2.053 -4.263 1.00 0.00 H new ATOM 0 HB2 TYR A 368 -10.050 -3.747 -4.524 1.00 0.00 H new ATOM 0 HB3 TYR A 368 -9.800 -4.260 -2.867 1.00 0.00 H new ATOM 0 HD1 TYR A 368 -9.864 -0.782 -4.258 1.00 0.00 H new ATOM 0 HD2 TYR A 368 -11.783 -3.646 -1.754 1.00 0.00 H new ATOM 0 HE1 TYR A 368 -11.430 0.944 -3.488 1.00 0.00 H new ATOM 0 HE2 TYR A 368 -13.355 -1.923 -0.986 1.00 0.00 H new ATOM 0 HH TYR A 368 -13.993 0.187 -1.117 1.00 0.00 H new ATOM 388 N HIS A 369 -7.360 -3.493 -1.443 1.00 0.00 N ATOM 389 CA HIS A 369 -6.870 -3.236 -0.093 1.00 0.00 C ATOM 390 C HIS A 369 -5.538 -2.493 -0.131 1.00 0.00 C ATOM 391 O HIS A 369 -5.199 -1.756 0.796 1.00 0.00 O ATOM 392 CB HIS A 369 -6.713 -4.549 0.674 1.00 0.00 C ATOM 393 CG HIS A 369 -8.012 -5.246 0.939 1.00 0.00 C ATOM 394 ND1 HIS A 369 -8.089 -6.534 1.427 1.00 0.00 N ATOM 395 CD2 HIS A 369 -9.290 -4.827 0.784 1.00 0.00 C ATOM 396 CE1 HIS A 369 -9.358 -6.877 1.558 1.00 0.00 C ATOM 397 NE2 HIS A 369 -10.107 -5.859 1.176 1.00 0.00 N ATOM 0 H HIS A 369 -7.324 -4.472 -1.726 1.00 0.00 H new ATOM 0 HA HIS A 369 -7.601 -2.610 0.419 1.00 0.00 H new ATOM 0 HB2 HIS A 369 -6.061 -5.215 0.108 1.00 0.00 H new ATOM 0 HB3 HIS A 369 -6.217 -4.349 1.624 1.00 0.00 H new ATOM 0 HD2 HIS A 369 -9.608 -3.861 0.420 1.00 0.00 H new ATOM 0 HE1 HIS A 369 -9.721 -7.829 1.917 1.00 0.00 H new ATOM 0 HE2 HIS A 369 -11.127 -5.842 1.173 1.00 0.00 H new ATOM 405 N LEU A 370 -4.786 -2.692 -1.208 1.00 0.00 N ATOM 406 CA LEU A 370 -3.490 -2.041 -1.366 1.00 0.00 C ATOM 407 C LEU A 370 -3.654 -0.625 -1.910 1.00 0.00 C ATOM 408 O LEU A 370 -2.900 0.279 -1.553 1.00 0.00 O ATOM 409 CB LEU A 370 -2.597 -2.859 -2.302 1.00 0.00 C ATOM 410 CG LEU A 370 -1.276 -2.206 -2.710 1.00 0.00 C ATOM 411 CD1 LEU A 370 -0.317 -2.159 -1.530 1.00 0.00 C ATOM 412 CD2 LEU A 370 -0.650 -2.954 -3.878 1.00 0.00 C ATOM 0 H LEU A 370 -5.051 -3.298 -1.984 1.00 0.00 H new ATOM 0 HA LEU A 370 -3.019 -1.981 -0.385 1.00 0.00 H new ATOM 0 HB2 LEU A 370 -2.375 -3.811 -1.820 1.00 0.00 H new ATOM 0 HB3 LEU A 370 -3.162 -3.084 -3.206 1.00 0.00 H new ATOM 0 HG LEU A 370 -1.481 -1.183 -3.027 1.00 0.00 H new ATOM 0 HD11 LEU A 370 0.618 -1.691 -1.839 1.00 0.00 H new ATOM 0 HD12 LEU A 370 -0.763 -1.580 -0.722 1.00 0.00 H new ATOM 0 HD13 LEU A 370 -0.118 -3.173 -1.183 1.00 0.00 H new ATOM 0 HD21 LEU A 370 0.289 -2.475 -4.155 1.00 0.00 H new ATOM 0 HD22 LEU A 370 -0.459 -3.987 -3.588 1.00 0.00 H new ATOM 0 HD23 LEU A 370 -1.331 -2.936 -4.729 1.00 0.00 H new ATOM 424 N ASN A 371 -4.646 -0.441 -2.776 1.00 0.00 N ATOM 425 CA ASN A 371 -4.910 0.865 -3.368 1.00 0.00 C ATOM 426 C ASN A 371 -5.037 1.936 -2.289 1.00 0.00 C ATOM 427 O ASN A 371 -4.453 3.015 -2.398 1.00 0.00 O ATOM 428 CB ASN A 371 -6.188 0.818 -4.208 1.00 0.00 C ATOM 429 CG ASN A 371 -5.991 0.081 -5.519 1.00 0.00 C ATOM 430 OD1 ASN A 371 -5.156 -0.818 -5.619 1.00 0.00 O ATOM 431 ND2 ASN A 371 -6.760 0.461 -6.532 1.00 0.00 N ATOM 0 H ASN A 371 -5.279 -1.179 -3.083 1.00 0.00 H new ATOM 0 HA ASN A 371 -4.069 1.121 -4.012 1.00 0.00 H new ATOM 0 HB2 ASN A 371 -6.978 0.331 -3.636 1.00 0.00 H new ATOM 0 HB3 ASN A 371 -6.523 1.835 -4.413 1.00 0.00 H new ATOM 0 HD21 ASN A 371 -6.672 0.003 -7.439 1.00 0.00 H new ATOM 0 HD22 ASN A 371 -7.439 1.211 -6.403 1.00 0.00 H new ATOM 438 N ARG A 372 -5.803 1.631 -1.247 1.00 0.00 N ATOM 439 CA ARG A 372 -6.007 2.567 -0.148 1.00 0.00 C ATOM 440 C ARG A 372 -4.812 2.562 0.800 1.00 0.00 C ATOM 441 O ARG A 372 -4.383 3.611 1.281 1.00 0.00 O ATOM 442 CB ARG A 372 -7.282 2.214 0.620 1.00 0.00 C ATOM 443 CG ARG A 372 -7.821 3.358 1.464 1.00 0.00 C ATOM 444 CD ARG A 372 -7.226 3.346 2.864 1.00 0.00 C ATOM 445 NE ARG A 372 -7.595 2.143 3.605 1.00 0.00 N ATOM 446 CZ ARG A 372 -8.816 1.915 4.075 1.00 0.00 C ATOM 447 NH1 ARG A 372 -9.781 2.803 3.882 1.00 0.00 N ATOM 448 NH2 ARG A 372 -9.074 0.796 4.740 1.00 0.00 N ATOM 0 H ARG A 372 -6.293 0.743 -1.141 1.00 0.00 H new ATOM 0 HA ARG A 372 -6.110 3.567 -0.570 1.00 0.00 H new ATOM 0 HB2 ARG A 372 -8.049 1.904 -0.089 1.00 0.00 H new ATOM 0 HB3 ARG A 372 -7.082 1.360 1.267 1.00 0.00 H new ATOM 0 HG2 ARG A 372 -7.594 4.308 0.979 1.00 0.00 H new ATOM 0 HG3 ARG A 372 -8.907 3.284 1.528 1.00 0.00 H new ATOM 0 HD2 ARG A 372 -6.140 3.412 2.797 1.00 0.00 H new ATOM 0 HD3 ARG A 372 -7.565 4.226 3.410 1.00 0.00 H new ATOM 0 HE ARG A 372 -6.876 1.439 3.771 1.00 0.00 H new ATOM 0 HH11 ARG A 372 -9.587 3.664 3.371 1.00 0.00 H new ATOM 0 HH12 ARG A 372 -10.718 2.625 4.244 1.00 0.00 H new ATOM 0 HH21 ARG A 372 -8.334 0.110 4.891 1.00 0.00 H new ATOM 0 HH22 ARG A 372 -10.012 0.622 5.101 1.00 0.00 H new ATOM 462 N HIS A 373 -4.278 1.374 1.065 1.00 0.00 N ATOM 463 CA HIS A 373 -3.132 1.232 1.955 1.00 0.00 C ATOM 464 C HIS A 373 -1.948 2.053 1.453 1.00 0.00 C ATOM 465 O HIS A 373 -1.123 2.518 2.239 1.00 0.00 O ATOM 466 CB HIS A 373 -2.732 -0.239 2.076 1.00 0.00 C ATOM 467 CG HIS A 373 -1.474 -0.456 2.859 1.00 0.00 C ATOM 468 ND1 HIS A 373 -1.436 -0.461 4.237 1.00 0.00 N ATOM 469 CD2 HIS A 373 -0.203 -0.677 2.449 1.00 0.00 C ATOM 470 CE1 HIS A 373 -0.197 -0.674 4.641 1.00 0.00 C ATOM 471 NE2 HIS A 373 0.571 -0.809 3.575 1.00 0.00 N ATOM 0 H HIS A 373 -4.621 0.496 0.676 1.00 0.00 H new ATOM 0 HA HIS A 373 -3.419 1.605 2.938 1.00 0.00 H new ATOM 0 HB2 HIS A 373 -3.544 -0.790 2.550 1.00 0.00 H new ATOM 0 HB3 HIS A 373 -2.605 -0.656 1.077 1.00 0.00 H new ATOM 0 HD1 HIS A 373 -2.240 -0.322 4.849 1.00 0.00 H new ATOM 0 HD2 HIS A 373 0.139 -0.738 1.426 1.00 0.00 H new ATOM 0 HE1 HIS A 373 0.132 -0.729 5.668 1.00 0.00 H new ATOM 479 N LYS A 374 -1.871 2.227 0.138 1.00 0.00 N ATOM 480 CA LYS A 374 -0.789 2.992 -0.471 1.00 0.00 C ATOM 481 C LYS A 374 -0.840 4.451 -0.029 1.00 0.00 C ATOM 482 O LYS A 374 0.195 5.067 0.232 1.00 0.00 O ATOM 483 CB LYS A 374 -0.873 2.907 -1.997 1.00 0.00 C ATOM 484 CG LYS A 374 -0.338 1.604 -2.564 1.00 0.00 C ATOM 485 CD LYS A 374 -1.033 1.234 -3.864 1.00 0.00 C ATOM 486 CE LYS A 374 -0.723 2.235 -4.966 1.00 0.00 C ATOM 487 NZ LYS A 374 -1.671 3.383 -4.956 1.00 0.00 N ATOM 0 H LYS A 374 -2.545 1.848 -0.527 1.00 0.00 H new ATOM 0 HA LYS A 374 0.157 2.563 -0.141 1.00 0.00 H new ATOM 0 HB2 LYS A 374 -1.912 3.027 -2.302 1.00 0.00 H new ATOM 0 HB3 LYS A 374 -0.316 3.738 -2.430 1.00 0.00 H new ATOM 0 HG2 LYS A 374 0.734 1.695 -2.737 1.00 0.00 H new ATOM 0 HG3 LYS A 374 -0.477 0.805 -1.836 1.00 0.00 H new ATOM 0 HD2 LYS A 374 -0.717 0.238 -4.176 1.00 0.00 H new ATOM 0 HD3 LYS A 374 -2.110 1.191 -3.703 1.00 0.00 H new ATOM 0 HE2 LYS A 374 0.295 2.604 -4.845 1.00 0.00 H new ATOM 0 HE3 LYS A 374 -0.768 1.735 -5.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 374 -1.799 3.736 -5.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 374 -2.588 3.072 -4.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 374 -1.289 4.144 -4.358 1.00 0.00 H new ATOM 501 N LEU A 375 -2.047 4.998 0.054 1.00 0.00 N ATOM 502 CA LEU A 375 -2.232 6.385 0.467 1.00 0.00 C ATOM 503 C LEU A 375 -1.599 6.636 1.832 1.00 0.00 C ATOM 504 O LEU A 375 -1.067 7.716 2.091 1.00 0.00 O ATOM 505 CB LEU A 375 -3.722 6.731 0.511 1.00 0.00 C ATOM 506 CG LEU A 375 -4.386 7.010 -0.837 1.00 0.00 C ATOM 507 CD1 LEU A 375 -5.901 6.952 -0.708 1.00 0.00 C ATOM 508 CD2 LEU A 375 -3.947 8.362 -1.379 1.00 0.00 C ATOM 0 H LEU A 375 -2.913 4.503 -0.159 1.00 0.00 H new ATOM 0 HA LEU A 375 -1.739 7.025 -0.265 1.00 0.00 H new ATOM 0 HB2 LEU A 375 -4.252 5.908 0.991 1.00 0.00 H new ATOM 0 HB3 LEU A 375 -3.852 7.607 1.146 1.00 0.00 H new ATOM 0 HG LEU A 375 -4.072 6.240 -1.541 1.00 0.00 H new ATOM 0 HD11 LEU A 375 -6.357 7.153 -1.678 1.00 0.00 H new ATOM 0 HD12 LEU A 375 -6.199 5.961 -0.365 1.00 0.00 H new ATOM 0 HD13 LEU A 375 -6.234 7.700 0.011 1.00 0.00 H new ATOM 0 HD21 LEU A 375 -4.430 8.543 -2.339 1.00 0.00 H new ATOM 0 HD22 LEU A 375 -4.231 9.145 -0.676 1.00 0.00 H new ATOM 0 HD23 LEU A 375 -2.865 8.367 -1.510 1.00 0.00 H new ATOM 520 N SER A 376 -1.660 5.632 2.700 1.00 0.00 N ATOM 521 CA SER A 376 -1.094 5.744 4.039 1.00 0.00 C ATOM 522 C SER A 376 0.420 5.921 3.976 1.00 0.00 C ATOM 523 O SER A 376 1.027 6.501 4.878 1.00 0.00 O ATOM 524 CB SER A 376 -1.440 4.506 4.868 1.00 0.00 C ATOM 525 OG SER A 376 -2.843 4.333 4.965 1.00 0.00 O ATOM 0 H SER A 376 -2.096 4.732 2.500 1.00 0.00 H new ATOM 0 HA SER A 376 -1.526 6.624 4.516 1.00 0.00 H new ATOM 0 HB2 SER A 376 -0.992 3.623 4.413 1.00 0.00 H new ATOM 0 HB3 SER A 376 -1.012 4.602 5.866 1.00 0.00 H new ATOM 0 HG SER A 376 -3.038 3.534 5.498 1.00 0.00 H new ATOM 531 N HIS A 377 1.024 5.417 2.905 1.00 0.00 N ATOM 532 CA HIS A 377 2.468 5.519 2.723 1.00 0.00 C ATOM 533 C HIS A 377 2.846 6.874 2.131 1.00 0.00 C ATOM 534 O HIS A 377 3.036 7.002 0.922 1.00 0.00 O ATOM 535 CB HIS A 377 2.970 4.395 1.816 1.00 0.00 C ATOM 536 CG HIS A 377 3.090 3.074 2.510 1.00 0.00 C ATOM 537 ND1 HIS A 377 3.488 2.947 3.824 1.00 0.00 N ATOM 538 CD2 HIS A 377 2.859 1.816 2.066 1.00 0.00 C ATOM 539 CE1 HIS A 377 3.499 1.669 4.157 1.00 0.00 C ATOM 540 NE2 HIS A 377 3.121 0.962 3.108 1.00 0.00 N ATOM 0 H HIS A 377 0.537 4.934 2.150 1.00 0.00 H new ATOM 0 HA HIS A 377 2.940 5.424 3.701 1.00 0.00 H new ATOM 0 HB2 HIS A 377 2.291 4.291 0.970 1.00 0.00 H new ATOM 0 HB3 HIS A 377 3.943 4.673 1.411 1.00 0.00 H new ATOM 0 HD1 HIS A 377 3.735 3.720 4.442 1.00 0.00 H new ATOM 0 HD2 HIS A 377 2.530 1.537 1.076 1.00 0.00 H new ATOM 0 HE1 HIS A 377 3.771 1.270 5.123 1.00 0.00 H new ATOM 548 N SER A 378 2.954 7.881 2.992 1.00 0.00 N ATOM 549 CA SER A 378 3.305 9.227 2.553 1.00 0.00 C ATOM 550 C SER A 378 4.801 9.335 2.275 1.00 0.00 C ATOM 551 O SER A 378 5.225 10.039 1.360 1.00 0.00 O ATOM 552 CB SER A 378 2.896 10.253 3.611 1.00 0.00 C ATOM 553 OG SER A 378 1.514 10.555 3.522 1.00 0.00 O ATOM 0 H SER A 378 2.804 7.791 3.997 1.00 0.00 H new ATOM 0 HA SER A 378 2.766 9.434 1.629 1.00 0.00 H new ATOM 0 HB2 SER A 378 3.124 9.866 4.604 1.00 0.00 H new ATOM 0 HB3 SER A 378 3.480 11.165 3.483 1.00 0.00 H new ATOM 0 HG SER A 378 1.278 11.212 4.210 1.00 0.00 H new ATOM 559 N GLY A 379 5.597 8.629 3.073 1.00 0.00 N ATOM 560 CA GLY A 379 7.038 8.659 2.898 1.00 0.00 C ATOM 561 C GLY A 379 7.783 8.616 4.217 1.00 0.00 C ATOM 562 O GLY A 379 8.641 9.458 4.479 1.00 0.00 O ATOM 0 H GLY A 379 5.270 8.037 3.837 1.00 0.00 H new ATOM 0 HA2 GLY A 379 7.344 7.812 2.284 1.00 0.00 H new ATOM 0 HA3 GLY A 379 7.316 9.563 2.356 1.00 0.00 H new ATOM 566 N GLU A 380 7.453 7.634 5.050 1.00 0.00 N ATOM 567 CA GLU A 380 8.097 7.488 6.351 1.00 0.00 C ATOM 568 C GLU A 380 8.657 6.079 6.525 1.00 0.00 C ATOM 569 O GLU A 380 7.963 5.089 6.291 1.00 0.00 O ATOM 570 CB GLU A 380 7.104 7.796 7.473 1.00 0.00 C ATOM 571 CG GLU A 380 5.949 6.812 7.552 1.00 0.00 C ATOM 572 CD GLU A 380 4.743 7.384 8.271 1.00 0.00 C ATOM 573 OE1 GLU A 380 4.241 8.443 7.837 1.00 0.00 O ATOM 574 OE2 GLU A 380 4.300 6.775 9.267 1.00 0.00 O ATOM 0 H GLU A 380 6.745 6.929 4.848 1.00 0.00 H new ATOM 0 HA GLU A 380 8.923 8.198 6.401 1.00 0.00 H new ATOM 0 HB2 GLU A 380 7.634 7.798 8.425 1.00 0.00 H new ATOM 0 HB3 GLU A 380 6.705 8.800 7.328 1.00 0.00 H new ATOM 0 HG2 GLU A 380 5.659 6.516 6.544 1.00 0.00 H new ATOM 0 HG3 GLU A 380 6.280 5.910 8.067 1.00 0.00 H new ATOM 581 N LYS A 381 9.917 5.997 6.938 1.00 0.00 N ATOM 582 CA LYS A 381 10.572 4.711 7.145 1.00 0.00 C ATOM 583 C LYS A 381 11.253 4.661 8.509 1.00 0.00 C ATOM 584 O LYS A 381 12.479 4.639 8.618 1.00 0.00 O ATOM 585 CB LYS A 381 11.600 4.455 6.041 1.00 0.00 C ATOM 586 CG LYS A 381 10.984 4.287 4.663 1.00 0.00 C ATOM 587 CD LYS A 381 10.390 2.900 4.483 1.00 0.00 C ATOM 588 CE LYS A 381 11.446 1.895 4.048 1.00 0.00 C ATOM 589 NZ LYS A 381 10.836 0.673 3.454 1.00 0.00 N ATOM 0 H LYS A 381 10.505 6.806 7.136 1.00 0.00 H new ATOM 0 HA LYS A 381 9.809 3.933 7.110 1.00 0.00 H new ATOM 0 HB2 LYS A 381 12.307 5.284 6.015 1.00 0.00 H new ATOM 0 HB3 LYS A 381 12.169 3.559 6.287 1.00 0.00 H new ATOM 0 HG2 LYS A 381 10.208 5.038 4.516 1.00 0.00 H new ATOM 0 HG3 LYS A 381 11.743 4.460 3.900 1.00 0.00 H new ATOM 0 HD2 LYS A 381 9.938 2.572 5.419 1.00 0.00 H new ATOM 0 HD3 LYS A 381 9.593 2.937 3.740 1.00 0.00 H new ATOM 0 HE2 LYS A 381 12.112 2.359 3.320 1.00 0.00 H new ATOM 0 HE3 LYS A 381 12.057 1.616 4.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 381 11.399 -0.160 3.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 381 9.865 0.562 3.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 381 10.818 0.763 2.418 1.00 0.00 H new ATOM 603 N PRO A 382 10.441 4.639 9.576 1.00 0.00 N ATOM 604 CA PRO A 382 10.943 4.589 10.953 1.00 0.00 C ATOM 605 C PRO A 382 11.580 3.245 11.288 1.00 0.00 C ATOM 606 O PRO A 382 12.618 3.187 11.947 1.00 0.00 O ATOM 607 CB PRO A 382 9.686 4.811 11.797 1.00 0.00 C ATOM 608 CG PRO A 382 8.563 4.347 10.935 1.00 0.00 C ATOM 609 CD PRO A 382 8.969 4.663 9.522 1.00 0.00 C ATOM 0 HA PRO A 382 11.726 5.326 11.129 1.00 0.00 H new ATOM 0 HB2 PRO A 382 9.730 4.246 12.728 1.00 0.00 H new ATOM 0 HB3 PRO A 382 9.570 5.861 12.066 1.00 0.00 H new ATOM 0 HG2 PRO A 382 8.389 3.278 11.062 1.00 0.00 H new ATOM 0 HG3 PRO A 382 7.634 4.854 11.197 1.00 0.00 H new ATOM 0 HD2 PRO A 382 8.581 3.927 8.818 1.00 0.00 H new ATOM 0 HD3 PRO A 382 8.594 5.636 9.204 1.00 0.00 H new ATOM 617 N TYR A 383 10.952 2.167 10.832 1.00 0.00 N ATOM 618 CA TYR A 383 11.457 0.823 11.085 1.00 0.00 C ATOM 619 C TYR A 383 12.094 0.235 9.830 1.00 0.00 C ATOM 620 O TYR A 383 11.460 -0.521 9.095 1.00 0.00 O ATOM 621 CB TYR A 383 10.326 -0.086 11.571 1.00 0.00 C ATOM 622 CG TYR A 383 10.810 -1.390 12.163 1.00 0.00 C ATOM 623 CD1 TYR A 383 11.890 -1.420 13.038 1.00 0.00 C ATOM 624 CD2 TYR A 383 10.187 -2.591 11.849 1.00 0.00 C ATOM 625 CE1 TYR A 383 12.335 -2.610 13.581 1.00 0.00 C ATOM 626 CE2 TYR A 383 10.625 -3.785 12.389 1.00 0.00 C ATOM 627 CZ TYR A 383 11.700 -3.790 13.254 1.00 0.00 C ATOM 628 OH TYR A 383 12.140 -4.976 13.793 1.00 0.00 O ATOM 0 H TYR A 383 10.092 2.198 10.285 1.00 0.00 H new ATOM 0 HA TYR A 383 12.220 0.889 11.861 1.00 0.00 H new ATOM 0 HB2 TYR A 383 9.739 0.447 12.319 1.00 0.00 H new ATOM 0 HB3 TYR A 383 9.659 -0.301 10.736 1.00 0.00 H new ATOM 0 HD1 TYR A 383 12.389 -0.498 13.297 1.00 0.00 H new ATOM 0 HD2 TYR A 383 9.346 -2.592 11.171 1.00 0.00 H new ATOM 0 HE1 TYR A 383 13.176 -2.616 14.258 1.00 0.00 H new ATOM 0 HE2 TYR A 383 10.128 -4.710 12.135 1.00 0.00 H new ATOM 0 HH TYR A 383 11.584 -5.712 13.462 1.00 0.00 H new ATOM 638 N SER A 384 13.354 0.587 9.593 1.00 0.00 N ATOM 639 CA SER A 384 14.078 0.098 8.426 1.00 0.00 C ATOM 640 C SER A 384 14.303 -1.408 8.520 1.00 0.00 C ATOM 641 O SER A 384 14.562 -1.943 9.598 1.00 0.00 O ATOM 642 CB SER A 384 15.421 0.819 8.293 1.00 0.00 C ATOM 643 OG SER A 384 16.133 0.800 9.518 1.00 0.00 O ATOM 0 H SER A 384 13.894 1.209 10.194 1.00 0.00 H new ATOM 0 HA SER A 384 13.475 0.304 7.542 1.00 0.00 H new ATOM 0 HB2 SER A 384 16.017 0.343 7.515 1.00 0.00 H new ATOM 0 HB3 SER A 384 15.255 1.850 7.981 1.00 0.00 H new ATOM 0 HG SER A 384 16.988 1.265 9.407 1.00 0.00 H new ATOM 649 N SER A 385 14.204 -2.087 7.381 1.00 0.00 N ATOM 650 CA SER A 385 14.392 -3.532 7.333 1.00 0.00 C ATOM 651 C SER A 385 15.541 -3.899 6.399 1.00 0.00 C ATOM 652 O SER A 385 15.981 -3.085 5.588 1.00 0.00 O ATOM 653 CB SER A 385 13.106 -4.221 6.874 1.00 0.00 C ATOM 654 OG SER A 385 13.033 -5.547 7.368 1.00 0.00 O ATOM 0 H SER A 385 13.995 -1.659 6.479 1.00 0.00 H new ATOM 0 HA SER A 385 14.639 -3.875 8.338 1.00 0.00 H new ATOM 0 HB2 SER A 385 12.242 -3.653 7.220 1.00 0.00 H new ATOM 0 HB3 SER A 385 13.065 -4.233 5.785 1.00 0.00 H new ATOM 0 HG SER A 385 12.201 -5.965 7.062 1.00 0.00 H new ATOM 660 N GLY A 386 16.022 -5.133 6.518 1.00 0.00 N ATOM 661 CA GLY A 386 17.115 -5.588 5.679 1.00 0.00 C ATOM 662 C GLY A 386 16.690 -6.677 4.714 1.00 0.00 C ATOM 663 O GLY A 386 16.989 -7.856 4.905 1.00 0.00 O ATOM 0 H GLY A 386 15.674 -5.826 7.181 1.00 0.00 H new ATOM 0 HA2 GLY A 386 17.513 -4.743 5.117 1.00 0.00 H new ATOM 0 HA3 GLY A 386 17.922 -5.960 6.310 1.00 0.00 H new ATOM 667 N PRO A 387 15.975 -6.285 3.650 1.00 0.00 N ATOM 668 CA PRO A 387 15.492 -7.222 2.631 1.00 0.00 C ATOM 669 C PRO A 387 16.625 -7.790 1.783 1.00 0.00 C ATOM 670 O PRO A 387 17.049 -7.175 0.805 1.00 0.00 O ATOM 671 CB PRO A 387 14.560 -6.363 1.772 1.00 0.00 C ATOM 672 CG PRO A 387 15.056 -4.970 1.952 1.00 0.00 C ATOM 673 CD PRO A 387 15.582 -4.896 3.359 1.00 0.00 C ATOM 0 HA PRO A 387 15.005 -8.091 3.074 1.00 0.00 H new ATOM 0 HB2 PRO A 387 14.597 -6.664 0.725 1.00 0.00 H new ATOM 0 HB3 PRO A 387 13.523 -6.459 2.095 1.00 0.00 H new ATOM 0 HG2 PRO A 387 15.839 -4.738 1.230 1.00 0.00 H new ATOM 0 HG3 PRO A 387 14.255 -4.247 1.796 1.00 0.00 H new ATOM 0 HD2 PRO A 387 16.429 -4.214 3.436 1.00 0.00 H new ATOM 0 HD3 PRO A 387 14.822 -4.540 4.054 1.00 0.00 H new ATOM 681 N SER A 388 17.110 -8.967 2.163 1.00 0.00 N ATOM 682 CA SER A 388 18.196 -9.617 1.439 1.00 0.00 C ATOM 683 C SER A 388 17.710 -10.151 0.095 1.00 0.00 C ATOM 684 O SER A 388 17.072 -11.202 0.026 1.00 0.00 O ATOM 685 CB SER A 388 18.782 -10.758 2.273 1.00 0.00 C ATOM 686 OG SER A 388 17.823 -11.780 2.484 1.00 0.00 O ATOM 0 H SER A 388 16.768 -9.491 2.969 1.00 0.00 H new ATOM 0 HA SER A 388 18.973 -8.875 1.255 1.00 0.00 H new ATOM 0 HB2 SER A 388 19.654 -11.172 1.767 1.00 0.00 H new ATOM 0 HB3 SER A 388 19.124 -10.372 3.233 1.00 0.00 H new ATOM 0 HG SER A 388 17.270 -11.881 1.681 1.00 0.00 H new ATOM 692 N SER A 389 18.016 -9.420 -0.971 1.00 0.00 N ATOM 693 CA SER A 389 17.608 -9.816 -2.314 1.00 0.00 C ATOM 694 C SER A 389 18.174 -11.187 -2.671 1.00 0.00 C ATOM 695 O SER A 389 19.385 -11.402 -2.627 1.00 0.00 O ATOM 696 CB SER A 389 18.070 -8.778 -3.338 1.00 0.00 C ATOM 697 OG SER A 389 19.483 -8.683 -3.366 1.00 0.00 O ATOM 0 H SER A 389 18.546 -8.549 -0.931 1.00 0.00 H new ATOM 0 HA SER A 389 16.520 -9.875 -2.334 1.00 0.00 H new ATOM 0 HB2 SER A 389 17.701 -9.049 -4.327 1.00 0.00 H new ATOM 0 HB3 SER A 389 17.642 -7.806 -3.094 1.00 0.00 H new ATOM 0 HG SER A 389 19.874 -9.514 -3.022 1.00 0.00 H new ATOM 703 N GLY A 390 17.288 -12.113 -3.025 1.00 0.00 N ATOM 704 CA GLY A 390 17.717 -13.452 -3.384 1.00 0.00 C ATOM 705 C GLY A 390 18.202 -13.540 -4.818 1.00 0.00 C ATOM 706 O GLY A 390 18.590 -12.518 -5.382 1.00 0.00 O ATOM 0 H GLY A 390 16.281 -11.960 -3.070 1.00 0.00 H new ATOM 0 HA2 GLY A 390 18.517 -13.766 -2.713 1.00 0.00 H new ATOM 0 HA3 GLY A 390 16.889 -14.146 -3.240 1.00 0.00 H new TER 710 GLY A 390 HETATM 711 ZN ZN A 201 2.568 -0.893 2.996 1.00 0.00 ZN