USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 499 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 367 HIS HD1 : A 367 HIS ND1 : A 500 ZNZN :(H bumps) USER MOD Set 1.1: A 389 HIS : no HD1:sc= -5.47! C(o=-5.5!,f=-5.7!) USER MOD Set 1.2: A 393 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 346 HIS : no HD1:sc= 0.0114 K(o=0.7,f=-3.9) USER MOD Set 2.2: A 359 THR OG1 : rot 96:sc= 0.684 USER MOD Single : A 354 THR OG1 : rot -160:sc= -1.48 USER MOD Single : A 355 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 356 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 361 SER OG : rot 180:sc= 0 USER MOD Single : A 363 THR OG1 : rot -49:sc= 0.45 USER MOD Single : A 365 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 366 THR OG1 : rot 180:sc= 0.00458 USER MOD Single : A 368 SER OG : rot 180:sc= -1.42 USER MOD Single : A 370 THR OG1 : rot 180:sc= 0 USER MOD Single : A 371 GLN : amide:sc= -1.2 K(o=-1.2,f=0) USER MOD Single : A 376 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 380 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 390 LYS NZ :NH3+ -160:sc= -1.24 (180deg=-1.77!) USER MOD Single : A 391 ASN : amide:sc= -0.44 X(o=-0.44,f=0) USER MOD Single : A 392 LYS NZ :NH3+ -170:sc= -0.02 (180deg=-0.178) USER MOD Single : A 396 LYS NZ :NH3+ 180:sc= 0.783 (180deg=0.783) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 339 51.527 1.595 -3.776 1.00 0.00 N ATOM 2 CA ARG A 339 50.576 1.997 -4.742 1.00 0.00 C ATOM 3 C ARG A 339 51.107 1.762 -6.045 1.00 0.00 C ATOM 4 O ARG A 339 50.908 0.707 -6.655 1.00 0.00 O ATOM 5 CB ARG A 339 50.237 3.452 -4.564 1.00 0.00 C ATOM 6 CG ARG A 339 49.275 3.746 -3.462 1.00 0.00 C ATOM 7 CD ARG A 339 49.119 5.236 -3.261 1.00 0.00 C ATOM 8 NE ARG A 339 48.712 5.946 -4.499 1.00 0.00 N ATOM 9 CZ ARG A 339 48.357 7.244 -4.570 1.00 0.00 C ATOM 10 NH1 ARG A 339 48.203 7.965 -3.465 1.00 0.00 N ATOM 11 NH2 ARG A 339 48.125 7.807 -5.745 1.00 0.00 N ATOM 0 HA ARG A 339 49.661 1.418 -4.617 1.00 0.00 H new ATOM 0 HB2 ARG A 339 51.158 4.004 -4.378 1.00 0.00 H new ATOM 0 HB3 ARG A 339 49.822 3.830 -5.498 1.00 0.00 H new ATOM 0 HG2 ARG A 339 48.306 3.303 -3.693 1.00 0.00 H new ATOM 0 HG3 ARG A 339 49.624 3.285 -2.538 1.00 0.00 H new ATOM 0 HD2 ARG A 339 48.377 5.417 -2.484 1.00 0.00 H new ATOM 0 HD3 ARG A 339 50.062 5.650 -2.904 1.00 0.00 H new ATOM 0 HE ARG A 339 48.700 5.408 -5.366 1.00 0.00 H new ATOM 0 HH11 ARG A 339 48.354 7.537 -2.552 1.00 0.00 H new ATOM 0 HH12 ARG A 339 47.934 8.947 -3.530 1.00 0.00 H new ATOM 0 HH21 ARG A 339 48.215 7.258 -6.600 1.00 0.00 H new ATOM 0 HH22 ARG A 339 47.856 8.790 -5.796 1.00 0.00 H new ATOM 25 N GLU A 340 51.793 2.672 -6.451 1.00 0.00 N ATOM 26 CA GLU A 340 52.418 2.607 -7.612 1.00 0.00 C ATOM 27 C GLU A 340 53.857 2.507 -7.221 1.00 0.00 C ATOM 28 O GLU A 340 54.432 3.412 -6.657 1.00 0.00 O ATOM 29 CB GLU A 340 52.030 3.816 -8.457 1.00 0.00 C ATOM 30 CG GLU A 340 52.732 5.097 -8.105 1.00 0.00 C ATOM 31 CD GLU A 340 51.955 6.316 -8.485 1.00 0.00 C ATOM 32 OE1 GLU A 340 51.040 6.714 -7.748 1.00 0.00 O ATOM 33 OE2 GLU A 340 52.251 6.921 -9.522 1.00 0.00 O ATOM 0 H GLU A 340 51.941 3.543 -5.942 1.00 0.00 H new ATOM 0 HA GLU A 340 52.162 1.762 -8.252 1.00 0.00 H new ATOM 0 HB2 GLU A 340 52.231 3.587 -9.504 1.00 0.00 H new ATOM 0 HB3 GLU A 340 50.955 3.973 -8.365 1.00 0.00 H new ATOM 0 HG2 GLU A 340 52.924 5.116 -7.032 1.00 0.00 H new ATOM 0 HG3 GLU A 340 53.701 5.122 -8.603 1.00 0.00 H new ATOM 40 N PHE A 341 54.268 1.297 -7.208 1.00 0.00 N ATOM 41 CA PHE A 341 55.676 0.951 -7.041 1.00 0.00 C ATOM 42 C PHE A 341 56.569 1.989 -7.675 1.00 0.00 C ATOM 43 O PHE A 341 56.507 2.254 -8.895 1.00 0.00 O ATOM 44 CB PHE A 341 56.024 -0.384 -7.696 1.00 0.00 C ATOM 45 CG PHE A 341 57.499 -0.610 -7.701 1.00 0.00 C ATOM 46 CD1 PHE A 341 58.180 -0.713 -6.519 1.00 0.00 C ATOM 47 CD2 PHE A 341 58.200 -0.691 -8.889 1.00 0.00 C ATOM 48 CE1 PHE A 341 59.517 -0.893 -6.508 1.00 0.00 C ATOM 49 CE2 PHE A 341 59.548 -0.881 -8.889 1.00 0.00 C ATOM 50 CZ PHE A 341 60.213 -0.984 -7.697 1.00 0.00 C ATOM 0 H PHE A 341 53.652 0.491 -7.312 1.00 0.00 H new ATOM 0 HA PHE A 341 55.838 0.894 -5.965 1.00 0.00 H new ATOM 0 HB2 PHE A 341 55.530 -1.195 -7.161 1.00 0.00 H new ATOM 0 HB3 PHE A 341 55.647 -0.401 -8.718 1.00 0.00 H new ATOM 0 HD1 PHE A 341 57.642 -0.650 -5.585 1.00 0.00 H new ATOM 0 HD2 PHE A 341 57.673 -0.603 -9.827 1.00 0.00 H new ATOM 0 HE1 PHE A 341 60.044 -0.966 -5.568 1.00 0.00 H new ATOM 0 HE2 PHE A 341 60.088 -0.950 -9.822 1.00 0.00 H new ATOM 0 HZ PHE A 341 61.282 -1.136 -7.687 1.00 0.00 H new ATOM 60 N ASP A 342 57.390 2.534 -6.862 1.00 0.00 N ATOM 61 CA ASP A 342 58.303 3.542 -7.273 1.00 0.00 C ATOM 62 C ASP A 342 59.712 3.028 -7.103 1.00 0.00 C ATOM 63 O ASP A 342 60.220 2.997 -6.003 1.00 0.00 O ATOM 64 CB ASP A 342 58.121 4.858 -6.494 1.00 0.00 C ATOM 65 CG ASP A 342 56.823 5.581 -6.782 1.00 0.00 C ATOM 66 OD1 ASP A 342 56.618 6.034 -7.957 1.00 0.00 O ATOM 67 OD2 ASP A 342 56.028 5.811 -5.858 1.00 0.00 O ATOM 0 H ASP A 342 57.452 2.292 -5.873 1.00 0.00 H new ATOM 0 HA ASP A 342 58.104 3.768 -8.321 1.00 0.00 H new ATOM 0 HB2 ASP A 342 58.175 4.644 -5.426 1.00 0.00 H new ATOM 0 HB3 ASP A 342 58.953 5.523 -6.728 1.00 0.00 H new ATOM 72 N PRO A 343 60.366 2.574 -8.176 1.00 0.00 N ATOM 73 CA PRO A 343 61.702 1.970 -8.076 1.00 0.00 C ATOM 74 C PRO A 343 62.772 2.898 -7.518 1.00 0.00 C ATOM 75 O PRO A 343 63.585 2.492 -6.697 1.00 0.00 O ATOM 76 CB PRO A 343 62.030 1.549 -9.501 1.00 0.00 C ATOM 77 CG PRO A 343 61.122 2.339 -10.370 1.00 0.00 C ATOM 78 CD PRO A 343 59.868 2.573 -9.568 1.00 0.00 C ATOM 0 HA PRO A 343 61.692 1.143 -7.366 1.00 0.00 H new ATOM 0 HB2 PRO A 343 63.074 1.751 -9.739 1.00 0.00 H new ATOM 0 HB3 PRO A 343 61.873 0.479 -9.640 1.00 0.00 H new ATOM 0 HG2 PRO A 343 61.583 3.284 -10.656 1.00 0.00 H new ATOM 0 HG3 PRO A 343 60.900 1.801 -11.291 1.00 0.00 H new ATOM 0 HD2 PRO A 343 59.392 3.518 -9.828 1.00 0.00 H new ATOM 0 HD3 PRO A 343 59.130 1.788 -9.733 1.00 0.00 H new ATOM 86 N ASP A 344 62.730 4.140 -7.921 1.00 0.00 N ATOM 87 CA ASP A 344 63.724 5.133 -7.508 1.00 0.00 C ATOM 88 C ASP A 344 63.624 5.479 -6.042 1.00 0.00 C ATOM 89 O ASP A 344 64.540 6.098 -5.482 1.00 0.00 O ATOM 90 CB ASP A 344 63.584 6.427 -8.321 1.00 0.00 C ATOM 91 CG ASP A 344 64.140 6.344 -9.719 1.00 0.00 C ATOM 92 OD1 ASP A 344 63.749 5.440 -10.479 1.00 0.00 O ATOM 93 OD2 ASP A 344 64.951 7.213 -10.094 1.00 0.00 O ATOM 0 H ASP A 344 62.011 4.506 -8.545 1.00 0.00 H new ATOM 0 HA ASP A 344 64.696 4.675 -7.693 1.00 0.00 H new ATOM 0 HB2 ASP A 344 62.529 6.694 -8.377 1.00 0.00 H new ATOM 0 HB3 ASP A 344 64.089 7.233 -7.789 1.00 0.00 H new ATOM 98 N ILE A 345 62.531 5.088 -5.417 1.00 0.00 N ATOM 99 CA ILE A 345 62.267 5.514 -4.050 1.00 0.00 C ATOM 100 C ILE A 345 61.969 4.332 -3.128 1.00 0.00 C ATOM 101 O ILE A 345 61.930 4.490 -1.894 1.00 0.00 O ATOM 102 CB ILE A 345 61.068 6.528 -4.003 1.00 0.00 C ATOM 103 CG1 ILE A 345 59.764 5.864 -3.564 1.00 0.00 C ATOM 104 CG2 ILE A 345 60.884 7.233 -5.346 1.00 0.00 C ATOM 105 CD1 ILE A 345 58.570 6.782 -3.560 1.00 0.00 C ATOM 0 H ILE A 345 61.817 4.484 -5.824 1.00 0.00 H new ATOM 0 HA ILE A 345 63.173 6.004 -3.694 1.00 0.00 H new ATOM 0 HB ILE A 345 61.323 7.276 -3.252 1.00 0.00 H new ATOM 0 HG12 ILE A 345 59.558 5.023 -4.226 1.00 0.00 H new ATOM 0 HG13 ILE A 345 59.897 5.456 -2.562 1.00 0.00 H new ATOM 0 HG21 ILE A 345 60.047 7.928 -5.281 1.00 0.00 H new ATOM 0 HG22 ILE A 345 61.792 7.782 -5.596 1.00 0.00 H new ATOM 0 HG23 ILE A 345 60.682 6.493 -6.121 1.00 0.00 H new ATOM 0 HD11 ILE A 345 57.688 6.230 -3.236 1.00 0.00 H new ATOM 0 HD12 ILE A 345 58.751 7.611 -2.876 1.00 0.00 H new ATOM 0 HD13 ILE A 345 58.406 7.170 -4.565 1.00 0.00 H new ATOM 117 N HIS A 346 61.738 3.177 -3.710 1.00 0.00 N ATOM 118 CA HIS A 346 61.346 2.010 -2.954 1.00 0.00 C ATOM 119 C HIS A 346 62.209 0.764 -3.151 1.00 0.00 C ATOM 120 O HIS A 346 63.154 0.741 -3.920 1.00 0.00 O ATOM 121 CB HIS A 346 59.867 1.692 -3.139 1.00 0.00 C ATOM 122 CG HIS A 346 58.971 2.602 -2.367 1.00 0.00 C ATOM 123 ND1 HIS A 346 57.907 3.232 -2.941 1.00 0.00 N ATOM 124 CD2 HIS A 346 59.023 2.921 -1.061 1.00 0.00 C ATOM 125 CE1 HIS A 346 57.330 3.926 -1.957 1.00 0.00 C ATOM 126 NE2 HIS A 346 57.980 3.759 -0.809 1.00 0.00 N ATOM 0 H HIS A 346 61.816 3.021 -4.715 1.00 0.00 H new ATOM 0 HA HIS A 346 61.526 2.299 -1.919 1.00 0.00 H new ATOM 0 HB2 HIS A 346 59.617 1.758 -4.198 1.00 0.00 H new ATOM 0 HB3 HIS A 346 59.682 0.663 -2.832 1.00 0.00 H new ATOM 0 HD2 HIS A 346 59.755 2.577 -0.346 1.00 0.00 H new ATOM 0 HE1 HIS A 346 56.451 4.542 -2.078 1.00 0.00 H new ATOM 0 HE2 HIS A 346 57.742 4.179 0.090 1.00 0.00 H new ATOM 134 N CYS A 347 61.835 -0.260 -2.394 1.00 0.00 N ATOM 135 CA CYS A 347 62.533 -1.542 -2.274 1.00 0.00 C ATOM 136 C CYS A 347 62.765 -2.246 -3.615 1.00 0.00 C ATOM 137 O CYS A 347 63.832 -2.778 -3.826 1.00 0.00 O ATOM 138 CB CYS A 347 61.741 -2.429 -1.281 1.00 0.00 C ATOM 139 SG CYS A 347 62.388 -4.120 -0.862 1.00 0.00 S ATOM 0 H CYS A 347 60.995 -0.221 -1.817 1.00 0.00 H new ATOM 0 HA CYS A 347 63.537 -1.354 -1.894 1.00 0.00 H new ATOM 0 HB2 CYS A 347 61.646 -1.873 -0.348 1.00 0.00 H new ATOM 0 HB3 CYS A 347 60.735 -2.553 -1.682 1.00 0.00 H new ATOM 144 N GLY A 348 61.749 -2.352 -4.440 1.00 0.00 N ATOM 145 CA GLY A 348 61.950 -2.925 -5.770 1.00 0.00 C ATOM 146 C GLY A 348 62.016 -4.429 -5.816 1.00 0.00 C ATOM 147 O GLY A 348 61.981 -5.006 -6.883 1.00 0.00 O ATOM 0 H GLY A 348 60.794 -2.060 -4.231 1.00 0.00 H new ATOM 0 HA2 GLY A 348 61.139 -2.593 -6.418 1.00 0.00 H new ATOM 0 HA3 GLY A 348 62.874 -2.524 -6.185 1.00 0.00 H new ATOM 151 N VAL A 349 62.032 -5.068 -4.669 1.00 0.00 N ATOM 152 CA VAL A 349 62.192 -6.512 -4.648 1.00 0.00 C ATOM 153 C VAL A 349 60.882 -7.071 -4.871 1.00 0.00 C ATOM 154 O VAL A 349 59.974 -6.854 -4.067 1.00 0.00 O ATOM 155 CB VAL A 349 62.753 -7.086 -3.315 1.00 0.00 C ATOM 156 CG1 VAL A 349 63.023 -8.586 -3.433 1.00 0.00 C ATOM 157 CG2 VAL A 349 63.995 -6.369 -2.859 1.00 0.00 C ATOM 0 H VAL A 349 61.939 -4.627 -3.754 1.00 0.00 H new ATOM 0 HA VAL A 349 62.923 -6.776 -5.412 1.00 0.00 H new ATOM 0 HB VAL A 349 61.985 -6.923 -2.559 1.00 0.00 H new ATOM 0 HG11 VAL A 349 63.414 -8.961 -2.487 1.00 0.00 H new ATOM 0 HG12 VAL A 349 62.095 -9.105 -3.673 1.00 0.00 H new ATOM 0 HG13 VAL A 349 63.752 -8.763 -4.223 1.00 0.00 H new ATOM 0 HG21 VAL A 349 64.346 -6.808 -1.925 1.00 0.00 H new ATOM 0 HG22 VAL A 349 64.770 -6.465 -3.619 1.00 0.00 H new ATOM 0 HG23 VAL A 349 63.769 -5.314 -2.702 1.00 0.00 H new ATOM 167 N ILE A 350 60.756 -7.715 -5.960 1.00 0.00 N ATOM 168 CA ILE A 350 59.562 -8.324 -6.286 1.00 0.00 C ATOM 169 C ILE A 350 59.284 -9.434 -5.324 1.00 0.00 C ATOM 170 O ILE A 350 60.124 -10.320 -5.085 1.00 0.00 O ATOM 171 CB ILE A 350 59.506 -8.719 -7.751 1.00 0.00 C ATOM 172 CG1 ILE A 350 59.564 -7.415 -8.567 1.00 0.00 C ATOM 173 CG2 ILE A 350 58.277 -9.544 -8.035 1.00 0.00 C ATOM 174 CD1 ILE A 350 59.209 -7.528 -10.018 1.00 0.00 C ATOM 0 H ILE A 350 61.497 -7.828 -6.651 1.00 0.00 H new ATOM 0 HA ILE A 350 58.745 -7.611 -6.178 1.00 0.00 H new ATOM 0 HB ILE A 350 60.347 -9.354 -8.030 1.00 0.00 H new ATOM 0 HG12 ILE A 350 58.892 -6.691 -8.105 1.00 0.00 H new ATOM 0 HG13 ILE A 350 60.572 -7.008 -8.491 1.00 0.00 H new ATOM 0 HG21 ILE A 350 58.257 -9.816 -9.090 1.00 0.00 H new ATOM 0 HG22 ILE A 350 58.298 -10.449 -7.427 1.00 0.00 H new ATOM 0 HG23 ILE A 350 57.386 -8.965 -7.793 1.00 0.00 H new ATOM 0 HD11 ILE A 350 59.285 -6.548 -10.489 1.00 0.00 H new ATOM 0 HD12 ILE A 350 59.894 -8.220 -10.507 1.00 0.00 H new ATOM 0 HD13 ILE A 350 58.189 -7.899 -10.115 1.00 0.00 H new ATOM 186 N ASP A 351 58.152 -9.324 -4.735 1.00 0.00 N ATOM 187 CA ASP A 351 57.749 -10.137 -3.651 1.00 0.00 C ATOM 188 C ASP A 351 57.354 -11.474 -4.166 1.00 0.00 C ATOM 189 O ASP A 351 56.573 -11.566 -5.060 1.00 0.00 O ATOM 190 CB ASP A 351 56.580 -9.457 -2.998 1.00 0.00 C ATOM 191 CG ASP A 351 56.142 -10.081 -1.739 1.00 0.00 C ATOM 192 OD1 ASP A 351 56.666 -9.720 -0.671 1.00 0.00 O ATOM 193 OD2 ASP A 351 55.264 -10.909 -1.785 1.00 0.00 O ATOM 0 H ASP A 351 57.451 -8.635 -5.007 1.00 0.00 H new ATOM 0 HA ASP A 351 58.555 -10.273 -2.930 1.00 0.00 H new ATOM 0 HB2 ASP A 351 56.842 -8.417 -2.802 1.00 0.00 H new ATOM 0 HB3 ASP A 351 55.743 -9.449 -3.696 1.00 0.00 H new ATOM 198 N LEU A 352 57.919 -12.497 -3.629 1.00 0.00 N ATOM 199 CA LEU A 352 57.641 -13.843 -4.068 1.00 0.00 C ATOM 200 C LEU A 352 56.337 -14.390 -3.517 1.00 0.00 C ATOM 201 O LEU A 352 55.944 -15.520 -3.830 1.00 0.00 O ATOM 202 CB LEU A 352 58.829 -14.720 -3.735 1.00 0.00 C ATOM 203 CG LEU A 352 59.908 -14.887 -4.821 1.00 0.00 C ATOM 204 CD1 LEU A 352 59.523 -15.993 -5.777 1.00 0.00 C ATOM 205 CD2 LEU A 352 60.114 -13.607 -5.622 1.00 0.00 C ATOM 0 H LEU A 352 58.594 -12.436 -2.866 1.00 0.00 H new ATOM 0 HA LEU A 352 57.497 -13.835 -5.148 1.00 0.00 H new ATOM 0 HB2 LEU A 352 59.308 -14.316 -2.843 1.00 0.00 H new ATOM 0 HB3 LEU A 352 58.455 -15.710 -3.475 1.00 0.00 H new ATOM 0 HG LEU A 352 60.838 -15.133 -4.308 1.00 0.00 H new ATOM 0 HD11 LEU A 352 60.295 -16.100 -6.539 1.00 0.00 H new ATOM 0 HD12 LEU A 352 59.423 -16.930 -5.228 1.00 0.00 H new ATOM 0 HD13 LEU A 352 58.574 -15.748 -6.253 1.00 0.00 H new ATOM 0 HD21 LEU A 352 60.883 -13.770 -6.377 1.00 0.00 H new ATOM 0 HD22 LEU A 352 59.180 -13.329 -6.110 1.00 0.00 H new ATOM 0 HD23 LEU A 352 60.426 -12.805 -4.953 1.00 0.00 H new ATOM 217 N ASP A 353 55.678 -13.622 -2.685 1.00 0.00 N ATOM 218 CA ASP A 353 54.409 -14.002 -2.171 1.00 0.00 C ATOM 219 C ASP A 353 53.307 -13.370 -3.000 1.00 0.00 C ATOM 220 O ASP A 353 52.411 -14.058 -3.491 1.00 0.00 O ATOM 221 CB ASP A 353 54.270 -13.608 -0.706 1.00 0.00 C ATOM 222 CG ASP A 353 55.272 -14.281 0.217 1.00 0.00 C ATOM 223 OD1 ASP A 353 55.237 -15.517 0.366 1.00 0.00 O ATOM 224 OD2 ASP A 353 56.085 -13.579 0.860 1.00 0.00 O ATOM 0 H ASP A 353 56.016 -12.719 -2.352 1.00 0.00 H new ATOM 0 HA ASP A 353 54.322 -15.087 -2.232 1.00 0.00 H new ATOM 0 HB2 ASP A 353 54.382 -12.527 -0.620 1.00 0.00 H new ATOM 0 HB3 ASP A 353 53.262 -13.852 -0.370 1.00 0.00 H new ATOM 229 N THR A 354 53.387 -12.074 -3.168 1.00 0.00 N ATOM 230 CA THR A 354 52.392 -11.323 -3.902 1.00 0.00 C ATOM 231 C THR A 354 52.717 -11.240 -5.389 1.00 0.00 C ATOM 232 O THR A 354 51.817 -11.236 -6.233 1.00 0.00 O ATOM 233 CB THR A 354 52.212 -9.915 -3.292 1.00 0.00 C ATOM 234 OG1 THR A 354 53.478 -9.266 -3.217 1.00 0.00 O ATOM 235 CG2 THR A 354 51.636 -10.000 -1.889 1.00 0.00 C ATOM 0 H THR A 354 54.148 -11.504 -2.798 1.00 0.00 H new ATOM 0 HA THR A 354 51.448 -11.861 -3.814 1.00 0.00 H new ATOM 0 HB THR A 354 51.527 -9.355 -3.928 1.00 0.00 H new ATOM 0 HG1 THR A 354 53.433 -8.536 -2.565 1.00 0.00 H new ATOM 0 HG21 THR A 354 51.519 -8.996 -1.482 1.00 0.00 H new ATOM 0 HG22 THR A 354 50.664 -10.493 -1.924 1.00 0.00 H new ATOM 0 HG23 THR A 354 52.311 -10.573 -1.253 1.00 0.00 H new ATOM 243 N LYS A 355 53.996 -11.198 -5.690 1.00 0.00 N ATOM 244 CA LYS A 355 54.510 -11.106 -7.046 1.00 0.00 C ATOM 245 C LYS A 355 54.233 -9.805 -7.685 1.00 0.00 C ATOM 246 O LYS A 355 53.555 -9.672 -8.708 1.00 0.00 O ATOM 247 CB LYS A 355 54.264 -12.316 -7.921 1.00 0.00 C ATOM 248 CG LYS A 355 55.171 -13.495 -7.584 1.00 0.00 C ATOM 249 CD LYS A 355 56.661 -13.194 -7.814 1.00 0.00 C ATOM 250 CE LYS A 355 56.974 -12.785 -9.253 1.00 0.00 C ATOM 251 NZ LYS A 355 56.704 -13.860 -10.221 1.00 0.00 N ATOM 0 H LYS A 355 54.730 -11.227 -4.982 1.00 0.00 H new ATOM 0 HA LYS A 355 55.593 -11.135 -6.926 1.00 0.00 H new ATOM 0 HB2 LYS A 355 53.224 -12.625 -7.818 1.00 0.00 H new ATOM 0 HB3 LYS A 355 54.413 -12.038 -8.964 1.00 0.00 H new ATOM 0 HG2 LYS A 355 55.020 -13.776 -6.542 1.00 0.00 H new ATOM 0 HG3 LYS A 355 54.882 -14.353 -8.191 1.00 0.00 H new ATOM 0 HD2 LYS A 355 56.973 -12.396 -7.140 1.00 0.00 H new ATOM 0 HD3 LYS A 355 57.248 -14.076 -7.557 1.00 0.00 H new ATOM 0 HE2 LYS A 355 56.381 -11.909 -9.514 1.00 0.00 H new ATOM 0 HE3 LYS A 355 58.022 -12.493 -9.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 355 56.933 -13.529 -11.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 355 57.289 -14.689 -9.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 355 55.699 -14.123 -10.177 1.00 0.00 H new ATOM 265 N LYS A 356 54.683 -8.856 -6.984 1.00 0.00 N ATOM 266 CA LYS A 356 54.672 -7.502 -7.342 1.00 0.00 C ATOM 267 C LYS A 356 55.879 -6.900 -6.701 1.00 0.00 C ATOM 268 O LYS A 356 56.478 -7.544 -5.841 1.00 0.00 O ATOM 269 CB LYS A 356 53.401 -6.884 -6.830 1.00 0.00 C ATOM 270 CG LYS A 356 53.281 -6.772 -5.336 1.00 0.00 C ATOM 271 CD LYS A 356 51.962 -6.156 -4.992 1.00 0.00 C ATOM 272 CE LYS A 356 51.824 -5.942 -3.507 1.00 0.00 C ATOM 273 NZ LYS A 356 50.516 -5.361 -3.162 1.00 0.00 N ATOM 0 H LYS A 356 55.104 -9.015 -6.069 1.00 0.00 H new ATOM 0 HA LYS A 356 54.703 -7.342 -8.420 1.00 0.00 H new ATOM 0 HB2 LYS A 356 53.307 -5.886 -7.259 1.00 0.00 H new ATOM 0 HB3 LYS A 356 52.560 -7.471 -7.200 1.00 0.00 H new ATOM 0 HG2 LYS A 356 53.366 -7.757 -4.878 1.00 0.00 H new ATOM 0 HG3 LYS A 356 54.094 -6.164 -4.939 1.00 0.00 H new ATOM 0 HD2 LYS A 356 51.859 -5.202 -5.509 1.00 0.00 H new ATOM 0 HD3 LYS A 356 51.156 -6.799 -5.345 1.00 0.00 H new ATOM 0 HE2 LYS A 356 51.948 -6.893 -2.989 1.00 0.00 H new ATOM 0 HE3 LYS A 356 52.619 -5.283 -3.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 356 50.456 -5.228 -2.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 356 50.408 -4.442 -3.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 356 49.758 -6.002 -3.473 1.00 0.00 H new ATOM 287 N PRO A 357 56.297 -5.718 -7.100 1.00 0.00 N ATOM 288 CA PRO A 357 57.433 -5.103 -6.509 1.00 0.00 C ATOM 289 C PRO A 357 57.168 -4.599 -5.143 1.00 0.00 C ATOM 290 O PRO A 357 56.067 -4.703 -4.610 1.00 0.00 O ATOM 291 CB PRO A 357 57.816 -3.997 -7.415 1.00 0.00 C ATOM 292 CG PRO A 357 56.729 -3.835 -8.416 1.00 0.00 C ATOM 293 CD PRO A 357 55.686 -4.886 -8.127 1.00 0.00 C ATOM 0 HA PRO A 357 58.235 -5.832 -6.392 1.00 0.00 H new ATOM 0 HB2 PRO A 357 57.959 -3.074 -6.853 1.00 0.00 H new ATOM 0 HB3 PRO A 357 58.762 -4.218 -7.910 1.00 0.00 H new ATOM 0 HG2 PRO A 357 56.295 -2.837 -8.353 1.00 0.00 H new ATOM 0 HG3 PRO A 357 57.119 -3.950 -9.427 1.00 0.00 H new ATOM 0 HD2 PRO A 357 54.756 -4.439 -7.777 1.00 0.00 H new ATOM 0 HD3 PRO A 357 55.446 -5.465 -9.019 1.00 0.00 H new ATOM 301 N CYS A 358 58.144 -3.987 -4.581 1.00 0.00 N ATOM 302 CA CYS A 358 58.064 -3.739 -3.285 1.00 0.00 C ATOM 303 C CYS A 358 58.209 -2.330 -3.000 1.00 0.00 C ATOM 304 O CYS A 358 59.308 -1.771 -3.042 1.00 0.00 O ATOM 305 CB CYS A 358 59.046 -4.501 -2.596 1.00 0.00 C ATOM 306 SG CYS A 358 58.800 -4.450 -0.852 1.00 0.00 S ATOM 0 H CYS A 358 58.993 -3.667 -5.047 1.00 0.00 H new ATOM 0 HA CYS A 358 57.073 -4.031 -2.938 1.00 0.00 H new ATOM 0 HB2 CYS A 358 59.012 -5.535 -2.939 1.00 0.00 H new ATOM 0 HB3 CYS A 358 60.038 -4.119 -2.835 1.00 0.00 H new ATOM 311 N THR A 359 57.151 -1.775 -2.722 1.00 0.00 N ATOM 312 CA THR A 359 57.062 -0.413 -2.385 1.00 0.00 C ATOM 313 C THR A 359 56.617 -0.261 -0.914 1.00 0.00 C ATOM 314 O THR A 359 55.529 0.188 -0.580 1.00 0.00 O ATOM 315 CB THR A 359 56.219 0.364 -3.476 1.00 0.00 C ATOM 316 OG1 THR A 359 55.728 1.633 -3.080 1.00 0.00 O ATOM 317 CG2 THR A 359 55.111 -0.502 -4.043 1.00 0.00 C ATOM 0 H THR A 359 56.253 -2.258 -2.714 1.00 0.00 H new ATOM 0 HA THR A 359 58.036 0.075 -2.415 1.00 0.00 H new ATOM 0 HB THR A 359 56.940 0.585 -4.263 1.00 0.00 H new ATOM 0 HG1 THR A 359 56.346 2.331 -3.382 1.00 0.00 H new ATOM 0 HG21 THR A 359 54.553 0.064 -4.789 1.00 0.00 H new ATOM 0 HG22 THR A 359 55.543 -1.388 -4.508 1.00 0.00 H new ATOM 0 HG23 THR A 359 54.439 -0.805 -3.240 1.00 0.00 H new ATOM 325 N ARG A 360 57.464 -0.830 -0.051 1.00 0.00 N ATOM 326 CA ARG A 360 57.326 -0.693 1.388 1.00 0.00 C ATOM 327 C ARG A 360 58.098 0.489 1.870 1.00 0.00 C ATOM 328 O ARG A 360 57.555 1.514 2.300 1.00 0.00 O ATOM 329 CB ARG A 360 57.866 -1.936 2.077 1.00 0.00 C ATOM 330 CG ARG A 360 56.899 -3.070 2.053 1.00 0.00 C ATOM 331 CD ARG A 360 56.858 -3.758 3.366 1.00 0.00 C ATOM 332 NE ARG A 360 55.898 -4.857 3.375 1.00 0.00 N ATOM 333 CZ ARG A 360 55.413 -5.430 4.484 1.00 0.00 C ATOM 334 NH1 ARG A 360 55.712 -4.929 5.679 1.00 0.00 N ATOM 335 NH2 ARG A 360 54.606 -6.475 4.391 1.00 0.00 N ATOM 0 H ARG A 360 58.262 -1.397 -0.338 1.00 0.00 H new ATOM 0 HA ARG A 360 56.270 -0.562 1.622 1.00 0.00 H new ATOM 0 HB2 ARG A 360 58.792 -2.243 1.591 1.00 0.00 H new ATOM 0 HB3 ARG A 360 58.113 -1.696 3.111 1.00 0.00 H new ATOM 0 HG2 ARG A 360 55.905 -2.700 1.800 1.00 0.00 H new ATOM 0 HG3 ARG A 360 57.183 -3.779 1.275 1.00 0.00 H new ATOM 0 HD2 ARG A 360 57.850 -4.141 3.606 1.00 0.00 H new ATOM 0 HD3 ARG A 360 56.596 -3.041 4.144 1.00 0.00 H new ATOM 0 HE ARG A 360 55.574 -5.213 2.476 1.00 0.00 H new ATOM 0 HH11 ARG A 360 56.312 -4.107 5.752 1.00 0.00 H new ATOM 0 HH12 ARG A 360 55.342 -5.367 6.523 1.00 0.00 H new ATOM 0 HH21 ARG A 360 54.353 -6.844 3.474 1.00 0.00 H new ATOM 0 HH22 ARG A 360 54.237 -6.911 5.236 1.00 0.00 H new ATOM 349 N SER A 361 59.363 0.324 1.762 1.00 0.00 N ATOM 350 CA SER A 361 60.336 1.240 2.136 1.00 0.00 C ATOM 351 C SER A 361 61.588 0.695 1.588 1.00 0.00 C ATOM 352 O SER A 361 61.599 -0.438 1.023 1.00 0.00 O ATOM 353 CB SER A 361 60.445 1.318 3.655 1.00 0.00 C ATOM 354 OG SER A 361 60.676 0.026 4.197 1.00 0.00 O ATOM 0 H SER A 361 59.762 -0.532 1.376 1.00 0.00 H new ATOM 0 HA SER A 361 60.109 2.243 1.773 1.00 0.00 H new ATOM 0 HB2 SER A 361 61.258 1.988 3.935 1.00 0.00 H new ATOM 0 HB3 SER A 361 59.529 1.737 4.072 1.00 0.00 H new ATOM 0 HG SER A 361 60.746 0.088 5.173 1.00 0.00 H new ATOM 360 N LEU A 362 62.609 1.421 1.746 1.00 0.00 N ATOM 361 CA LEU A 362 63.896 1.053 1.313 1.00 0.00 C ATOM 362 C LEU A 362 64.503 0.064 2.267 1.00 0.00 C ATOM 363 O LEU A 362 65.223 -0.830 1.878 1.00 0.00 O ATOM 364 CB LEU A 362 64.676 2.323 1.236 1.00 0.00 C ATOM 365 CG LEU A 362 64.107 3.275 0.207 1.00 0.00 C ATOM 366 CD1 LEU A 362 64.720 4.652 0.276 1.00 0.00 C ATOM 367 CD2 LEU A 362 64.230 2.650 -1.159 1.00 0.00 C ATOM 0 H LEU A 362 62.577 2.333 2.202 1.00 0.00 H new ATOM 0 HA LEU A 362 63.883 0.558 0.342 1.00 0.00 H new ATOM 0 HB2 LEU A 362 64.681 2.806 2.213 1.00 0.00 H new ATOM 0 HB3 LEU A 362 65.713 2.097 0.987 1.00 0.00 H new ATOM 0 HG LEU A 362 63.052 3.435 0.427 1.00 0.00 H new ATOM 0 HD11 LEU A 362 64.271 5.289 -0.486 1.00 0.00 H new ATOM 0 HD12 LEU A 362 64.538 5.082 1.261 1.00 0.00 H new ATOM 0 HD13 LEU A 362 65.794 4.581 0.103 1.00 0.00 H new ATOM 0 HD21 LEU A 362 63.822 3.329 -1.908 1.00 0.00 H new ATOM 0 HD22 LEU A 362 65.280 2.457 -1.378 1.00 0.00 H new ATOM 0 HD23 LEU A 362 63.676 1.711 -1.181 1.00 0.00 H new ATOM 379 N THR A 363 64.051 0.135 3.473 1.00 0.00 N ATOM 380 CA THR A 363 64.593 -0.645 4.557 1.00 0.00 C ATOM 381 C THR A 363 63.566 -1.712 4.920 1.00 0.00 C ATOM 382 O THR A 363 63.503 -2.205 6.052 1.00 0.00 O ATOM 383 CB THR A 363 64.932 0.290 5.748 1.00 0.00 C ATOM 384 OG1 THR A 363 65.513 -0.417 6.832 1.00 0.00 O ATOM 385 CG2 THR A 363 63.714 1.047 6.211 1.00 0.00 C ATOM 0 H THR A 363 63.281 0.745 3.748 1.00 0.00 H new ATOM 0 HA THR A 363 65.521 -1.141 4.274 1.00 0.00 H new ATOM 0 HB THR A 363 65.670 1.006 5.385 1.00 0.00 H new ATOM 0 HG1 THR A 363 64.968 -1.204 7.039 1.00 0.00 H new ATOM 0 HG21 THR A 363 63.983 1.694 7.046 1.00 0.00 H new ATOM 0 HG22 THR A 363 63.330 1.654 5.391 1.00 0.00 H new ATOM 0 HG23 THR A 363 62.947 0.342 6.531 1.00 0.00 H new ATOM 393 N CYS A 364 62.814 -2.067 3.876 1.00 0.00 N ATOM 394 CA CYS A 364 61.774 -3.068 3.846 1.00 0.00 C ATOM 395 C CYS A 364 62.027 -4.225 4.828 1.00 0.00 C ATOM 396 O CYS A 364 63.075 -4.876 4.772 1.00 0.00 O ATOM 397 CB CYS A 364 61.780 -3.615 2.477 1.00 0.00 C ATOM 398 SG CYS A 364 60.762 -5.036 2.289 1.00 0.00 S ATOM 0 H CYS A 364 62.935 -1.622 2.966 1.00 0.00 H new ATOM 0 HA CYS A 364 60.827 -2.610 4.133 1.00 0.00 H new ATOM 0 HB2 CYS A 364 61.446 -2.843 1.784 1.00 0.00 H new ATOM 0 HB3 CYS A 364 62.803 -3.871 2.200 1.00 0.00 H new ATOM 403 N LYS A 365 61.035 -4.518 5.629 1.00 0.00 N ATOM 404 CA LYS A 365 61.125 -5.429 6.745 1.00 0.00 C ATOM 405 C LYS A 365 60.959 -6.873 6.308 1.00 0.00 C ATOM 406 O LYS A 365 61.367 -7.801 7.002 1.00 0.00 O ATOM 407 CB LYS A 365 60.000 -5.058 7.694 1.00 0.00 C ATOM 408 CG LYS A 365 60.152 -5.540 9.105 1.00 0.00 C ATOM 409 CD LYS A 365 58.869 -5.328 9.909 1.00 0.00 C ATOM 410 CE LYS A 365 58.317 -3.901 9.788 1.00 0.00 C ATOM 411 NZ LYS A 365 57.099 -3.719 10.607 1.00 0.00 N ATOM 0 H LYS A 365 60.105 -4.113 5.519 1.00 0.00 H new ATOM 0 HA LYS A 365 62.106 -5.348 7.213 1.00 0.00 H new ATOM 0 HB2 LYS A 365 59.906 -3.972 7.709 1.00 0.00 H new ATOM 0 HB3 LYS A 365 59.067 -5.453 7.293 1.00 0.00 H new ATOM 0 HG2 LYS A 365 60.411 -6.599 9.103 1.00 0.00 H new ATOM 0 HG3 LYS A 365 60.975 -5.011 9.585 1.00 0.00 H new ATOM 0 HD2 LYS A 365 58.112 -6.035 9.569 1.00 0.00 H new ATOM 0 HD3 LYS A 365 59.063 -5.549 10.958 1.00 0.00 H new ATOM 0 HE2 LYS A 365 59.078 -3.187 10.103 1.00 0.00 H new ATOM 0 HE3 LYS A 365 58.090 -3.685 8.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 365 56.753 -2.744 10.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 365 56.365 -4.383 10.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 365 57.322 -3.901 11.606 1.00 0.00 H new ATOM 425 N THR A 366 60.395 -7.043 5.157 1.00 0.00 N ATOM 426 CA THR A 366 60.050 -8.334 4.670 1.00 0.00 C ATOM 427 C THR A 366 61.273 -8.997 4.081 1.00 0.00 C ATOM 428 O THR A 366 61.602 -10.148 4.344 1.00 0.00 O ATOM 429 CB THR A 366 59.130 -8.124 3.505 1.00 0.00 C ATOM 430 OG1 THR A 366 58.125 -7.151 3.809 1.00 0.00 O ATOM 431 CG2 THR A 366 58.534 -9.415 2.964 1.00 0.00 C ATOM 0 H THR A 366 60.159 -6.280 4.523 1.00 0.00 H new ATOM 0 HA THR A 366 59.621 -8.929 5.476 1.00 0.00 H new ATOM 0 HB THR A 366 59.744 -7.729 2.695 1.00 0.00 H new ATOM 0 HG1 THR A 366 57.540 -7.032 3.032 1.00 0.00 H new ATOM 0 HG21 THR A 366 57.879 -9.189 2.123 1.00 0.00 H new ATOM 0 HG22 THR A 366 59.336 -10.075 2.632 1.00 0.00 H new ATOM 0 HG23 THR A 366 57.960 -9.908 3.749 1.00 0.00 H new ATOM 439 N HIS A 367 61.939 -8.208 3.311 1.00 0.00 N ATOM 440 CA HIS A 367 62.982 -8.634 2.452 1.00 0.00 C ATOM 441 C HIS A 367 64.288 -8.373 3.086 1.00 0.00 C ATOM 442 O HIS A 367 64.485 -7.301 3.628 1.00 0.00 O ATOM 443 CB HIS A 367 62.848 -7.885 1.106 1.00 0.00 C ATOM 444 CG HIS A 367 61.681 -8.337 0.233 1.00 0.00 C ATOM 445 ND1 HIS A 367 60.882 -7.433 -0.455 1.00 0.00 N ATOM 446 CD2 HIS A 367 61.262 -9.594 -0.039 1.00 0.00 C ATOM 447 CE1 HIS A 367 59.994 -8.202 -1.131 1.00 0.00 C ATOM 448 NE2 HIS A 367 60.206 -9.499 -0.894 1.00 0.00 N ATOM 0 H HIS A 367 61.761 -7.205 3.263 1.00 0.00 H new ATOM 0 HA HIS A 367 62.912 -9.706 2.267 1.00 0.00 H new ATOM 0 HB2 HIS A 367 62.740 -6.820 1.309 1.00 0.00 H new ATOM 0 HB3 HIS A 367 63.773 -8.010 0.544 1.00 0.00 H new ATOM 0 HD2 HIS A 367 61.687 -10.507 0.351 1.00 0.00 H new ATOM 0 HE1 HIS A 367 59.218 -7.817 -1.776 1.00 0.00 H new ATOM 0 HE2 HIS A 367 59.674 -10.277 -1.283 1.00 0.00 H new ATOM 456 N SER A 368 65.168 -9.337 3.014 1.00 0.00 N ATOM 457 CA SER A 368 66.458 -9.205 3.609 1.00 0.00 C ATOM 458 C SER A 368 67.353 -8.284 2.851 1.00 0.00 C ATOM 459 O SER A 368 67.161 -8.068 1.652 1.00 0.00 O ATOM 460 CB SER A 368 67.101 -10.555 3.895 1.00 0.00 C ATOM 461 OG SER A 368 67.166 -11.381 2.747 1.00 0.00 O ATOM 0 H SER A 368 65.006 -10.227 2.543 1.00 0.00 H new ATOM 0 HA SER A 368 66.303 -8.730 4.578 1.00 0.00 H new ATOM 0 HB2 SER A 368 68.107 -10.399 4.283 1.00 0.00 H new ATOM 0 HB3 SER A 368 66.534 -11.065 4.674 1.00 0.00 H new ATOM 0 HG SER A 368 67.587 -12.234 2.981 1.00 0.00 H new ATOM 467 N LEU A 369 68.319 -7.733 3.567 1.00 0.00 N ATOM 468 CA LEU A 369 69.295 -6.780 3.072 1.00 0.00 C ATOM 469 C LEU A 369 69.866 -7.193 1.741 1.00 0.00 C ATOM 470 O LEU A 369 69.927 -6.378 0.803 1.00 0.00 O ATOM 471 CB LEU A 369 70.381 -6.585 4.155 1.00 0.00 C ATOM 472 CG LEU A 369 71.615 -5.691 3.854 1.00 0.00 C ATOM 473 CD1 LEU A 369 72.675 -6.451 3.074 1.00 0.00 C ATOM 474 CD2 LEU A 369 71.199 -4.463 3.071 1.00 0.00 C ATOM 0 H LEU A 369 68.449 -7.949 4.555 1.00 0.00 H new ATOM 0 HA LEU A 369 68.809 -5.823 2.884 1.00 0.00 H new ATOM 0 HB2 LEU A 369 69.890 -6.176 5.038 1.00 0.00 H new ATOM 0 HB3 LEU A 369 70.753 -7.573 4.425 1.00 0.00 H new ATOM 0 HG LEU A 369 72.040 -5.388 4.811 1.00 0.00 H new ATOM 0 HD11 LEU A 369 73.524 -5.796 2.881 1.00 0.00 H new ATOM 0 HD12 LEU A 369 73.006 -7.312 3.654 1.00 0.00 H new ATOM 0 HD13 LEU A 369 72.256 -6.791 2.127 1.00 0.00 H new ATOM 0 HD21 LEU A 369 72.075 -3.847 2.868 1.00 0.00 H new ATOM 0 HD22 LEU A 369 70.744 -4.769 2.129 1.00 0.00 H new ATOM 0 HD23 LEU A 369 70.478 -3.888 3.652 1.00 0.00 H new ATOM 486 N THR A 370 70.197 -8.443 1.627 1.00 0.00 N ATOM 487 CA THR A 370 70.816 -8.939 0.429 1.00 0.00 C ATOM 488 C THR A 370 69.874 -8.813 -0.765 1.00 0.00 C ATOM 489 O THR A 370 70.288 -8.493 -1.867 1.00 0.00 O ATOM 490 CB THR A 370 71.218 -10.391 0.611 1.00 0.00 C ATOM 491 OG1 THR A 370 72.027 -10.496 1.800 1.00 0.00 O ATOM 492 CG2 THR A 370 72.003 -10.850 -0.594 1.00 0.00 C ATOM 0 H THR A 370 70.049 -9.145 2.352 1.00 0.00 H new ATOM 0 HA THR A 370 71.705 -8.339 0.235 1.00 0.00 H new ATOM 0 HB THR A 370 70.333 -11.020 0.712 1.00 0.00 H new ATOM 0 HG1 THR A 370 72.294 -11.430 1.933 1.00 0.00 H new ATOM 0 HG21 THR A 370 72.292 -11.893 -0.464 1.00 0.00 H new ATOM 0 HG22 THR A 370 71.387 -10.753 -1.488 1.00 0.00 H new ATOM 0 HG23 THR A 370 72.897 -10.236 -0.701 1.00 0.00 H new ATOM 500 N GLN A 371 68.606 -8.925 -0.489 1.00 0.00 N ATOM 501 CA GLN A 371 67.614 -8.959 -1.529 1.00 0.00 C ATOM 502 C GLN A 371 67.388 -7.565 -2.038 1.00 0.00 C ATOM 503 O GLN A 371 67.118 -7.366 -3.215 1.00 0.00 O ATOM 504 CB GLN A 371 66.310 -9.543 -1.016 1.00 0.00 C ATOM 505 CG GLN A 371 66.520 -10.726 -0.098 1.00 0.00 C ATOM 506 CD GLN A 371 65.275 -11.527 0.162 1.00 0.00 C ATOM 507 OE1 GLN A 371 65.323 -12.733 0.366 1.00 0.00 O ATOM 508 NE2 GLN A 371 64.172 -10.864 0.213 1.00 0.00 N ATOM 0 H GLN A 371 68.231 -8.995 0.457 1.00 0.00 H new ATOM 0 HA GLN A 371 67.972 -9.595 -2.338 1.00 0.00 H new ATOM 0 HB2 GLN A 371 65.755 -8.770 -0.484 1.00 0.00 H new ATOM 0 HB3 GLN A 371 65.696 -9.850 -1.863 1.00 0.00 H new ATOM 0 HG2 GLN A 371 67.276 -11.380 -0.532 1.00 0.00 H new ATOM 0 HG3 GLN A 371 66.915 -10.369 0.853 1.00 0.00 H new ATOM 0 HE21 GLN A 371 64.172 -9.859 0.037 1.00 0.00 H new ATOM 0 HE22 GLN A 371 63.298 -11.344 0.429 1.00 0.00 H new ATOM 517 N ARG A 372 67.525 -6.584 -1.141 1.00 0.00 N ATOM 518 CA ARG A 372 67.379 -5.206 -1.555 1.00 0.00 C ATOM 519 C ARG A 372 68.587 -4.792 -2.364 1.00 0.00 C ATOM 520 O ARG A 372 68.454 -4.064 -3.333 1.00 0.00 O ATOM 521 CB ARG A 372 67.218 -4.181 -0.427 1.00 0.00 C ATOM 522 CG ARG A 372 66.016 -4.289 0.485 1.00 0.00 C ATOM 523 CD ARG A 372 66.243 -5.327 1.516 1.00 0.00 C ATOM 524 NE ARG A 372 65.704 -4.977 2.796 1.00 0.00 N ATOM 525 CZ ARG A 372 66.416 -4.573 3.857 1.00 0.00 C ATOM 526 NH1 ARG A 372 67.639 -4.076 3.713 1.00 0.00 N ATOM 527 NH2 ARG A 372 65.867 -4.612 5.044 1.00 0.00 N ATOM 0 H ARG A 372 67.731 -6.722 -0.152 1.00 0.00 H new ATOM 0 HA ARG A 372 66.450 -5.194 -2.124 1.00 0.00 H new ATOM 0 HB2 ARG A 372 68.111 -4.231 0.196 1.00 0.00 H new ATOM 0 HB3 ARG A 372 67.201 -3.190 -0.881 1.00 0.00 H new ATOM 0 HG2 ARG A 372 65.826 -3.328 0.963 1.00 0.00 H new ATOM 0 HG3 ARG A 372 65.129 -4.535 -0.099 1.00 0.00 H new ATOM 0 HD2 ARG A 372 65.795 -6.264 1.184 1.00 0.00 H new ATOM 0 HD3 ARG A 372 67.314 -5.503 1.616 1.00 0.00 H new ATOM 0 HE ARG A 372 64.692 -5.041 2.910 1.00 0.00 H new ATOM 0 HH11 ARG A 372 68.051 -3.997 2.783 1.00 0.00 H new ATOM 0 HH12 ARG A 372 68.166 -3.773 4.532 1.00 0.00 H new ATOM 0 HH21 ARG A 372 64.910 -4.947 5.152 1.00 0.00 H new ATOM 0 HH22 ARG A 372 66.396 -4.308 5.861 1.00 0.00 H new ATOM 541 N ARG A 373 69.787 -5.255 -1.950 1.00 0.00 N ATOM 542 CA ARG A 373 71.000 -4.907 -2.680 1.00 0.00 C ATOM 543 C ARG A 373 70.990 -5.537 -4.060 1.00 0.00 C ATOM 544 O ARG A 373 71.408 -4.919 -5.046 1.00 0.00 O ATOM 545 CB ARG A 373 72.245 -5.356 -1.933 1.00 0.00 C ATOM 546 CG ARG A 373 72.436 -4.711 -0.593 1.00 0.00 C ATOM 547 CD ARG A 373 73.815 -4.957 -0.064 1.00 0.00 C ATOM 548 NE ARG A 373 74.773 -4.055 -0.703 1.00 0.00 N ATOM 549 CZ ARG A 373 75.724 -4.386 -1.571 1.00 0.00 C ATOM 550 NH1 ARG A 373 75.949 -5.660 -1.880 1.00 0.00 N ATOM 551 NH2 ARG A 373 76.459 -3.420 -2.115 1.00 0.00 N ATOM 0 H ARG A 373 69.929 -5.853 -1.136 1.00 0.00 H new ATOM 0 HA ARG A 373 71.022 -3.821 -2.774 1.00 0.00 H new ATOM 0 HB2 ARG A 373 72.202 -6.437 -1.798 1.00 0.00 H new ATOM 0 HB3 ARG A 373 73.119 -5.146 -2.550 1.00 0.00 H new ATOM 0 HG2 ARG A 373 72.261 -3.638 -0.675 1.00 0.00 H new ATOM 0 HG3 ARG A 373 71.699 -5.101 0.109 1.00 0.00 H new ATOM 0 HD2 ARG A 373 73.829 -4.808 1.016 1.00 0.00 H new ATOM 0 HD3 ARG A 373 74.103 -5.992 -0.247 1.00 0.00 H new ATOM 0 HE ARG A 373 74.704 -3.068 -0.457 1.00 0.00 H new ATOM 0 HH11 ARG A 373 75.389 -6.396 -1.450 1.00 0.00 H new ATOM 0 HH12 ARG A 373 76.682 -5.901 -2.547 1.00 0.00 H new ATOM 0 HH21 ARG A 373 76.288 -2.446 -1.864 1.00 0.00 H new ATOM 0 HH22 ARG A 373 77.194 -3.653 -2.783 1.00 0.00 H new ATOM 565 N ALA A 374 70.499 -6.759 -4.114 1.00 0.00 N ATOM 566 CA ALA A 374 70.420 -7.536 -5.343 1.00 0.00 C ATOM 567 C ALA A 374 69.493 -6.910 -6.383 1.00 0.00 C ATOM 568 O ALA A 374 69.699 -7.083 -7.591 1.00 0.00 O ATOM 569 CB ALA A 374 69.973 -8.952 -5.039 1.00 0.00 C ATOM 0 H ALA A 374 70.138 -7.250 -3.296 1.00 0.00 H new ATOM 0 HA ALA A 374 71.422 -7.547 -5.773 1.00 0.00 H new ATOM 0 HB1 ALA A 374 69.918 -9.523 -5.966 1.00 0.00 H new ATOM 0 HB2 ALA A 374 70.689 -9.423 -4.365 1.00 0.00 H new ATOM 0 HB3 ALA A 374 68.991 -8.930 -4.567 1.00 0.00 H new ATOM 575 N VAL A 375 68.488 -6.195 -5.946 1.00 0.00 N ATOM 576 CA VAL A 375 67.562 -5.618 -6.883 1.00 0.00 C ATOM 577 C VAL A 375 67.993 -4.230 -7.312 1.00 0.00 C ATOM 578 O VAL A 375 68.152 -3.314 -6.495 1.00 0.00 O ATOM 579 CB VAL A 375 66.085 -5.617 -6.384 1.00 0.00 C ATOM 580 CG1 VAL A 375 65.903 -4.776 -5.140 1.00 0.00 C ATOM 581 CG2 VAL A 375 65.144 -5.152 -7.483 1.00 0.00 C ATOM 0 H VAL A 375 68.293 -6.001 -4.964 1.00 0.00 H new ATOM 0 HA VAL A 375 67.586 -6.271 -7.755 1.00 0.00 H new ATOM 0 HB VAL A 375 65.837 -6.645 -6.120 1.00 0.00 H new ATOM 0 HG11 VAL A 375 64.858 -4.806 -4.830 1.00 0.00 H new ATOM 0 HG12 VAL A 375 66.530 -5.169 -4.340 1.00 0.00 H new ATOM 0 HG13 VAL A 375 66.189 -3.746 -5.352 1.00 0.00 H new ATOM 0 HG21 VAL A 375 64.119 -5.160 -7.112 1.00 0.00 H new ATOM 0 HG22 VAL A 375 65.412 -4.140 -7.788 1.00 0.00 H new ATOM 0 HG23 VAL A 375 65.225 -5.822 -8.339 1.00 0.00 H new ATOM 591 N GLN A 376 68.194 -4.081 -8.581 1.00 0.00 N ATOM 592 CA GLN A 376 68.539 -2.814 -9.145 1.00 0.00 C ATOM 593 C GLN A 376 67.273 -2.030 -9.501 1.00 0.00 C ATOM 594 O GLN A 376 66.863 -1.934 -10.656 1.00 0.00 O ATOM 595 CB GLN A 376 69.517 -2.969 -10.313 1.00 0.00 C ATOM 596 CG GLN A 376 69.125 -4.038 -11.317 1.00 0.00 C ATOM 597 CD GLN A 376 70.115 -4.162 -12.439 1.00 0.00 C ATOM 598 OE1 GLN A 376 69.998 -3.494 -13.458 1.00 0.00 O ATOM 599 NE2 GLN A 376 71.093 -5.005 -12.268 1.00 0.00 N ATOM 0 H GLN A 376 68.123 -4.838 -9.261 1.00 0.00 H new ATOM 0 HA GLN A 376 69.072 -2.224 -8.400 1.00 0.00 H new ATOM 0 HB2 GLN A 376 69.601 -2.014 -10.831 1.00 0.00 H new ATOM 0 HB3 GLN A 376 70.505 -3.204 -9.916 1.00 0.00 H new ATOM 0 HG2 GLN A 376 69.037 -4.997 -10.806 1.00 0.00 H new ATOM 0 HG3 GLN A 376 68.143 -3.804 -11.727 1.00 0.00 H new ATOM 0 HE21 GLN A 376 71.157 -5.544 -11.404 1.00 0.00 H new ATOM 0 HE22 GLN A 376 71.795 -5.126 -12.998 1.00 0.00 H new ATOM 608 N GLY A 377 66.610 -1.581 -8.462 1.00 0.00 N ATOM 609 CA GLY A 377 65.391 -0.820 -8.602 1.00 0.00 C ATOM 610 C GLY A 377 65.618 0.653 -8.482 1.00 0.00 C ATOM 611 O GLY A 377 65.064 1.444 -9.241 1.00 0.00 O ATOM 0 H GLY A 377 66.900 -1.733 -7.496 1.00 0.00 H new ATOM 0 HA2 GLY A 377 64.940 -1.037 -9.570 1.00 0.00 H new ATOM 0 HA3 GLY A 377 64.679 -1.138 -7.841 1.00 0.00 H new ATOM 615 N ARG A 378 66.471 1.020 -7.576 1.00 0.00 N ATOM 616 CA ARG A 378 66.689 2.396 -7.251 1.00 0.00 C ATOM 617 C ARG A 378 67.580 3.043 -8.278 1.00 0.00 C ATOM 618 O ARG A 378 68.215 2.370 -9.087 1.00 0.00 O ATOM 619 CB ARG A 378 67.363 2.482 -5.916 1.00 0.00 C ATOM 620 CG ARG A 378 66.653 1.759 -4.797 1.00 0.00 C ATOM 621 CD ARG A 378 67.679 1.193 -3.892 1.00 0.00 C ATOM 622 NE ARG A 378 67.051 0.237 -3.052 1.00 0.00 N ATOM 623 CZ ARG A 378 66.825 -1.006 -3.457 1.00 0.00 C ATOM 624 NH1 ARG A 378 67.198 -1.366 -4.683 1.00 0.00 N ATOM 625 NH2 ARG A 378 66.247 -1.870 -2.656 1.00 0.00 N ATOM 0 H ARG A 378 67.040 0.368 -7.037 1.00 0.00 H new ATOM 0 HA ARG A 378 65.728 2.909 -7.232 1.00 0.00 H new ATOM 0 HB2 ARG A 378 68.371 2.078 -6.008 1.00 0.00 H new ATOM 0 HB3 ARG A 378 67.464 3.533 -5.643 1.00 0.00 H new ATOM 0 HG2 ARG A 378 66.002 2.444 -4.254 1.00 0.00 H new ATOM 0 HG3 ARG A 378 66.019 0.967 -5.197 1.00 0.00 H new ATOM 0 HD2 ARG A 378 68.478 0.726 -4.468 1.00 0.00 H new ATOM 0 HD3 ARG A 378 68.136 1.982 -3.295 1.00 0.00 H new ATOM 0 HE ARG A 378 66.766 0.513 -2.112 1.00 0.00 H new ATOM 0 HH11 ARG A 378 67.651 -0.690 -5.297 1.00 0.00 H new ATOM 0 HH12 ARG A 378 67.031 -2.318 -5.008 1.00 0.00 H new ATOM 0 HH21 ARG A 378 65.969 -1.587 -1.716 1.00 0.00 H new ATOM 0 HH22 ARG A 378 66.076 -2.824 -2.973 1.00 0.00 H new ATOM 639 N ARG A 379 67.653 4.339 -8.205 1.00 0.00 N ATOM 640 CA ARG A 379 68.461 5.140 -9.107 1.00 0.00 C ATOM 641 C ARG A 379 69.963 5.047 -8.788 1.00 0.00 C ATOM 642 O ARG A 379 70.806 5.449 -9.589 1.00 0.00 O ATOM 643 CB ARG A 379 67.952 6.586 -9.079 1.00 0.00 C ATOM 644 CG ARG A 379 67.830 7.192 -7.706 1.00 0.00 C ATOM 645 CD ARG A 379 66.889 8.383 -7.724 1.00 0.00 C ATOM 646 NE ARG A 379 67.398 9.545 -8.460 1.00 0.00 N ATOM 647 CZ ARG A 379 66.637 10.335 -9.233 1.00 0.00 C ATOM 648 NH1 ARG A 379 65.520 9.857 -9.788 1.00 0.00 N ATOM 649 NH2 ARG A 379 67.054 11.554 -9.547 1.00 0.00 N ATOM 0 H ARG A 379 67.148 4.888 -7.509 1.00 0.00 H new ATOM 0 HA ARG A 379 68.356 4.745 -10.118 1.00 0.00 H new ATOM 0 HB2 ARG A 379 68.625 7.204 -9.674 1.00 0.00 H new ATOM 0 HB3 ARG A 379 66.976 6.621 -9.563 1.00 0.00 H new ATOM 0 HG2 ARG A 379 67.463 6.443 -7.004 1.00 0.00 H new ATOM 0 HG3 ARG A 379 68.813 7.505 -7.353 1.00 0.00 H new ATOM 0 HD2 ARG A 379 65.941 8.075 -8.165 1.00 0.00 H new ATOM 0 HD3 ARG A 379 66.680 8.682 -6.697 1.00 0.00 H new ATOM 0 HE ARG A 379 68.390 9.766 -8.379 1.00 0.00 H new ATOM 0 HH11 ARG A 379 65.243 8.889 -9.625 1.00 0.00 H new ATOM 0 HH12 ARG A 379 64.944 10.460 -10.375 1.00 0.00 H new ATOM 0 HH21 ARG A 379 67.953 11.891 -9.201 1.00 0.00 H new ATOM 0 HH22 ARG A 379 66.476 12.155 -10.135 1.00 0.00 H new ATOM 663 N LYS A 380 70.283 4.495 -7.625 1.00 0.00 N ATOM 664 CA LYS A 380 71.618 4.368 -7.134 1.00 0.00 C ATOM 665 C LYS A 380 71.698 2.956 -6.610 1.00 0.00 C ATOM 666 O LYS A 380 70.702 2.231 -6.718 1.00 0.00 O ATOM 667 CB LYS A 380 71.730 5.323 -5.966 1.00 0.00 C ATOM 668 CG LYS A 380 71.297 6.717 -6.297 1.00 0.00 C ATOM 669 CD LYS A 380 70.901 7.486 -5.071 1.00 0.00 C ATOM 670 CE LYS A 380 70.361 8.839 -5.487 1.00 0.00 C ATOM 671 NZ LYS A 380 69.959 9.680 -4.347 1.00 0.00 N ATOM 0 H LYS A 380 69.584 4.115 -6.987 1.00 0.00 H new ATOM 0 HA LYS A 380 72.390 4.574 -7.875 1.00 0.00 H new ATOM 0 HB2 LYS A 380 71.125 4.949 -5.140 1.00 0.00 H new ATOM 0 HB3 LYS A 380 72.764 5.343 -5.620 1.00 0.00 H new ATOM 0 HG2 LYS A 380 72.108 7.238 -6.806 1.00 0.00 H new ATOM 0 HG3 LYS A 380 70.457 6.681 -6.990 1.00 0.00 H new ATOM 0 HD2 LYS A 380 70.145 6.936 -4.510 1.00 0.00 H new ATOM 0 HD3 LYS A 380 71.760 7.611 -4.412 1.00 0.00 H new ATOM 0 HE2 LYS A 380 71.121 9.363 -6.067 1.00 0.00 H new ATOM 0 HE3 LYS A 380 69.503 8.694 -6.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 380 69.599 10.591 -4.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 380 69.213 9.198 -3.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 380 70.781 9.846 -3.732 1.00 0.00 H new ATOM 685 N ARG A 381 72.825 2.542 -6.051 1.00 0.00 N ATOM 686 CA ARG A 381 72.869 1.226 -5.393 1.00 0.00 C ATOM 687 C ARG A 381 72.025 1.322 -4.168 1.00 0.00 C ATOM 688 O ARG A 381 71.670 2.408 -3.729 1.00 0.00 O ATOM 689 CB ARG A 381 74.256 0.819 -4.925 1.00 0.00 C ATOM 690 CG ARG A 381 75.372 1.135 -5.855 1.00 0.00 C ATOM 691 CD ARG A 381 76.663 0.479 -5.394 1.00 0.00 C ATOM 692 NE ARG A 381 76.820 0.494 -3.925 1.00 0.00 N ATOM 693 CZ ARG A 381 77.832 1.030 -3.252 1.00 0.00 C ATOM 694 NH1 ARG A 381 78.762 1.747 -3.876 1.00 0.00 N ATOM 695 NH2 ARG A 381 77.893 0.846 -1.944 1.00 0.00 N ATOM 0 H ARG A 381 73.698 3.069 -6.033 1.00 0.00 H new ATOM 0 HA ARG A 381 72.531 0.489 -6.122 1.00 0.00 H new ATOM 0 HB2 ARG A 381 74.454 1.307 -3.971 1.00 0.00 H new ATOM 0 HB3 ARG A 381 74.256 -0.255 -4.740 1.00 0.00 H new ATOM 0 HG2 ARG A 381 75.123 0.791 -6.859 1.00 0.00 H new ATOM 0 HG3 ARG A 381 75.508 2.215 -5.913 1.00 0.00 H new ATOM 0 HD2 ARG A 381 76.687 -0.552 -5.747 1.00 0.00 H new ATOM 0 HD3 ARG A 381 77.509 0.992 -5.851 1.00 0.00 H new ATOM 0 HE ARG A 381 76.083 0.052 -3.377 1.00 0.00 H new ATOM 0 HH11 ARG A 381 78.704 1.891 -4.884 1.00 0.00 H new ATOM 0 HH12 ARG A 381 79.534 2.153 -3.347 1.00 0.00 H new ATOM 0 HH21 ARG A 381 77.172 0.301 -1.471 1.00 0.00 H new ATOM 0 HH22 ARG A 381 78.661 1.249 -1.408 1.00 0.00 H new ATOM 709 N PHE A 382 71.753 0.237 -3.593 1.00 0.00 N ATOM 710 CA PHE A 382 70.912 0.220 -2.445 1.00 0.00 C ATOM 711 C PHE A 382 71.545 0.869 -1.211 1.00 0.00 C ATOM 712 O PHE A 382 70.886 1.580 -0.501 1.00 0.00 O ATOM 713 CB PHE A 382 70.425 -1.179 -2.159 1.00 0.00 C ATOM 714 CG PHE A 382 69.665 -1.285 -0.872 1.00 0.00 C ATOM 715 CD1 PHE A 382 68.632 -0.419 -0.609 1.00 0.00 C ATOM 716 CD2 PHE A 382 70.005 -2.203 0.082 1.00 0.00 C ATOM 717 CE1 PHE A 382 67.957 -0.464 0.554 1.00 0.00 C ATOM 718 CE2 PHE A 382 69.334 -2.247 1.266 1.00 0.00 C ATOM 719 CZ PHE A 382 68.305 -1.372 1.495 1.00 0.00 C ATOM 0 H PHE A 382 72.097 -0.677 -3.889 1.00 0.00 H new ATOM 0 HA PHE A 382 70.049 0.842 -2.684 1.00 0.00 H new ATOM 0 HB2 PHE A 382 69.788 -1.510 -2.979 1.00 0.00 H new ATOM 0 HB3 PHE A 382 71.279 -1.855 -2.126 1.00 0.00 H new ATOM 0 HD1 PHE A 382 68.355 0.314 -1.352 1.00 0.00 H new ATOM 0 HD2 PHE A 382 70.811 -2.898 -0.104 1.00 0.00 H new ATOM 0 HE1 PHE A 382 67.142 0.221 0.736 1.00 0.00 H new ATOM 0 HE2 PHE A 382 69.612 -2.968 2.021 1.00 0.00 H new ATOM 0 HZ PHE A 382 67.769 -1.407 2.432 1.00 0.00 H new ATOM 729 N ASP A 383 72.796 0.653 -1.012 1.00 0.00 N ATOM 730 CA ASP A 383 73.507 1.131 0.195 1.00 0.00 C ATOM 731 C ASP A 383 73.486 2.645 0.246 1.00 0.00 C ATOM 732 O ASP A 383 73.164 3.256 1.260 1.00 0.00 O ATOM 733 CB ASP A 383 74.971 0.718 0.142 1.00 0.00 C ATOM 734 CG ASP A 383 75.209 -0.674 -0.361 1.00 0.00 C ATOM 735 OD1 ASP A 383 75.011 -1.639 0.383 1.00 0.00 O ATOM 736 OD2 ASP A 383 75.624 -0.820 -1.541 1.00 0.00 O ATOM 0 H ASP A 383 73.388 0.140 -1.665 1.00 0.00 H new ATOM 0 HA ASP A 383 73.009 0.700 1.064 1.00 0.00 H new ATOM 0 HB2 ASP A 383 75.509 1.418 -0.497 1.00 0.00 H new ATOM 0 HB3 ASP A 383 75.396 0.807 1.142 1.00 0.00 H new ATOM 741 N VAL A 384 73.819 3.222 -0.870 1.00 0.00 N ATOM 742 CA VAL A 384 73.928 4.649 -1.033 1.00 0.00 C ATOM 743 C VAL A 384 72.567 5.296 -0.977 1.00 0.00 C ATOM 744 O VAL A 384 72.395 6.419 -0.503 1.00 0.00 O ATOM 745 CB VAL A 384 74.632 4.931 -2.358 1.00 0.00 C ATOM 746 CG1 VAL A 384 73.828 4.503 -3.566 1.00 0.00 C ATOM 747 CG2 VAL A 384 75.195 6.335 -2.463 1.00 0.00 C ATOM 0 H VAL A 384 74.030 2.700 -1.721 1.00 0.00 H new ATOM 0 HA VAL A 384 74.514 5.076 -0.219 1.00 0.00 H new ATOM 0 HB VAL A 384 75.509 4.284 -2.358 1.00 0.00 H new ATOM 0 HG11 VAL A 384 74.386 4.732 -4.474 1.00 0.00 H new ATOM 0 HG12 VAL A 384 73.640 3.431 -3.516 1.00 0.00 H new ATOM 0 HG13 VAL A 384 72.878 5.038 -3.579 1.00 0.00 H new ATOM 0 HG21 VAL A 384 75.680 6.461 -3.431 1.00 0.00 H new ATOM 0 HG22 VAL A 384 74.387 7.059 -2.365 1.00 0.00 H new ATOM 0 HG23 VAL A 384 75.924 6.495 -1.668 1.00 0.00 H new ATOM 757 N LEU A 385 71.624 4.570 -1.462 1.00 0.00 N ATOM 758 CA LEU A 385 70.283 4.928 -1.445 1.00 0.00 C ATOM 759 C LEU A 385 69.761 4.875 -0.013 1.00 0.00 C ATOM 760 O LEU A 385 69.053 5.775 0.434 1.00 0.00 O ATOM 761 CB LEU A 385 69.535 3.949 -2.347 1.00 0.00 C ATOM 762 CG LEU A 385 68.090 4.183 -2.582 1.00 0.00 C ATOM 763 CD1 LEU A 385 67.354 3.582 -1.450 1.00 0.00 C ATOM 764 CD2 LEU A 385 67.820 5.664 -2.682 1.00 0.00 C ATOM 0 H LEU A 385 71.794 3.665 -1.901 1.00 0.00 H new ATOM 0 HA LEU A 385 70.137 5.944 -1.811 1.00 0.00 H new ATOM 0 HB2 LEU A 385 70.034 3.940 -3.316 1.00 0.00 H new ATOM 0 HB3 LEU A 385 69.647 2.951 -1.922 1.00 0.00 H new ATOM 0 HG LEU A 385 67.765 3.728 -3.518 1.00 0.00 H new ATOM 0 HD11 LEU A 385 66.284 3.735 -1.589 1.00 0.00 H new ATOM 0 HD12 LEU A 385 67.565 2.513 -1.405 1.00 0.00 H new ATOM 0 HD13 LEU A 385 67.670 4.053 -0.519 1.00 0.00 H new ATOM 0 HD21 LEU A 385 66.757 5.829 -2.855 1.00 0.00 H new ATOM 0 HD22 LEU A 385 68.117 6.151 -1.753 1.00 0.00 H new ATOM 0 HD23 LEU A 385 68.391 6.083 -3.510 1.00 0.00 H new ATOM 776 N LEU A 386 70.083 3.796 0.683 1.00 0.00 N ATOM 777 CA LEU A 386 69.653 3.607 2.044 1.00 0.00 C ATOM 778 C LEU A 386 70.175 4.738 2.885 1.00 0.00 C ATOM 779 O LEU A 386 69.526 5.148 3.807 1.00 0.00 O ATOM 780 CB LEU A 386 70.184 2.314 2.602 1.00 0.00 C ATOM 781 CG LEU A 386 69.203 1.378 3.355 1.00 0.00 C ATOM 782 CD1 LEU A 386 69.960 0.292 4.090 1.00 0.00 C ATOM 783 CD2 LEU A 386 68.254 2.113 4.299 1.00 0.00 C ATOM 0 H LEU A 386 70.649 3.032 0.314 1.00 0.00 H new ATOM 0 HA LEU A 386 68.563 3.580 2.060 1.00 0.00 H new ATOM 0 HB2 LEU A 386 70.615 1.748 1.776 1.00 0.00 H new ATOM 0 HB3 LEU A 386 71.000 2.556 3.283 1.00 0.00 H new ATOM 0 HG LEU A 386 68.572 0.924 2.591 1.00 0.00 H new ATOM 0 HD11 LEU A 386 69.254 -0.354 4.612 1.00 0.00 H new ATOM 0 HD12 LEU A 386 70.533 -0.299 3.376 1.00 0.00 H new ATOM 0 HD13 LEU A 386 70.638 0.746 4.812 1.00 0.00 H new ATOM 0 HD21 LEU A 386 67.599 1.393 4.789 1.00 0.00 H new ATOM 0 HD22 LEU A 386 68.832 2.649 5.052 1.00 0.00 H new ATOM 0 HD23 LEU A 386 67.653 2.822 3.731 1.00 0.00 H new ATOM 795 N ALA A 387 71.342 5.248 2.523 1.00 0.00 N ATOM 796 CA ALA A 387 71.938 6.391 3.199 1.00 0.00 C ATOM 797 C ALA A 387 70.975 7.584 3.163 1.00 0.00 C ATOM 798 O ALA A 387 70.757 8.247 4.169 1.00 0.00 O ATOM 799 CB ALA A 387 73.262 6.739 2.553 1.00 0.00 C ATOM 0 H ALA A 387 71.902 4.882 1.753 1.00 0.00 H new ATOM 0 HA ALA A 387 72.124 6.137 4.243 1.00 0.00 H new ATOM 0 HB1 ALA A 387 73.702 7.595 3.064 1.00 0.00 H new ATOM 0 HB2 ALA A 387 73.937 5.887 2.625 1.00 0.00 H new ATOM 0 HB3 ALA A 387 73.101 6.986 1.504 1.00 0.00 H new ATOM 805 N GLU A 388 70.329 7.775 2.016 1.00 0.00 N ATOM 806 CA GLU A 388 69.352 8.826 1.829 1.00 0.00 C ATOM 807 C GLU A 388 68.105 8.511 2.603 1.00 0.00 C ATOM 808 O GLU A 388 67.450 9.404 3.151 1.00 0.00 O ATOM 809 CB GLU A 388 69.022 8.951 0.376 1.00 0.00 C ATOM 810 CG GLU A 388 70.173 9.436 -0.436 1.00 0.00 C ATOM 811 CD GLU A 388 70.761 10.710 0.107 1.00 0.00 C ATOM 812 OE1 GLU A 388 70.161 11.785 -0.092 1.00 0.00 O ATOM 813 OE2 GLU A 388 71.840 10.668 0.709 1.00 0.00 O ATOM 0 H GLU A 388 70.475 7.197 1.188 1.00 0.00 H new ATOM 0 HA GLU A 388 69.767 9.767 2.190 1.00 0.00 H new ATOM 0 HB2 GLU A 388 68.698 7.982 -0.003 1.00 0.00 H new ATOM 0 HB3 GLU A 388 68.183 9.637 0.256 1.00 0.00 H new ATOM 0 HG2 GLU A 388 70.944 8.666 -0.464 1.00 0.00 H new ATOM 0 HG3 GLU A 388 69.847 9.598 -1.463 1.00 0.00 H new ATOM 820 N HIS A 389 67.780 7.222 2.666 1.00 0.00 N ATOM 821 CA HIS A 389 66.681 6.774 3.460 1.00 0.00 C ATOM 822 C HIS A 389 66.937 7.098 4.879 1.00 0.00 C ATOM 823 O HIS A 389 66.094 7.598 5.524 1.00 0.00 O ATOM 824 CB HIS A 389 66.387 5.291 3.307 1.00 0.00 C ATOM 825 CG HIS A 389 65.256 4.901 4.143 1.00 0.00 C ATOM 826 ND1 HIS A 389 64.050 5.504 4.066 1.00 0.00 N ATOM 827 CD2 HIS A 389 65.228 4.124 5.208 1.00 0.00 C ATOM 828 CE1 HIS A 389 63.334 5.136 5.064 1.00 0.00 C ATOM 829 NE2 HIS A 389 64.012 4.276 5.773 1.00 0.00 N ATOM 0 H HIS A 389 68.275 6.481 2.169 1.00 0.00 H new ATOM 0 HA HIS A 389 65.795 7.298 3.101 1.00 0.00 H new ATOM 0 HB2 HIS A 389 66.170 5.064 2.263 1.00 0.00 H new ATOM 0 HB3 HIS A 389 67.267 4.710 3.583 1.00 0.00 H new ATOM 0 HD2 HIS A 389 66.026 3.487 5.561 1.00 0.00 H new ATOM 0 HE1 HIS A 389 62.334 5.481 5.282 1.00 0.00 H new ATOM 0 HE2 HIS A 389 63.680 3.800 6.611 1.00 0.00 H new ATOM 838 N LYS A 390 68.082 6.777 5.347 1.00 0.00 N ATOM 839 CA LYS A 390 68.466 7.071 6.686 1.00 0.00 C ATOM 840 C LYS A 390 68.586 8.531 6.936 1.00 0.00 C ATOM 841 O LYS A 390 68.513 8.959 8.024 1.00 0.00 O ATOM 842 CB LYS A 390 69.678 6.316 7.047 1.00 0.00 C ATOM 843 CG LYS A 390 69.501 4.844 6.738 1.00 0.00 C ATOM 844 CD LYS A 390 68.287 4.248 7.439 1.00 0.00 C ATOM 845 CE LYS A 390 68.616 3.984 8.880 1.00 0.00 C ATOM 846 NZ LYS A 390 69.823 3.121 9.050 1.00 0.00 N ATOM 0 H LYS A 390 68.798 6.293 4.805 1.00 0.00 H new ATOM 0 HA LYS A 390 67.668 6.739 7.350 1.00 0.00 H new ATOM 0 HB2 LYS A 390 70.534 6.708 6.498 1.00 0.00 H new ATOM 0 HB3 LYS A 390 69.892 6.447 8.108 1.00 0.00 H new ATOM 0 HG2 LYS A 390 69.398 4.711 5.661 1.00 0.00 H new ATOM 0 HG3 LYS A 390 70.396 4.301 7.042 1.00 0.00 H new ATOM 0 HD2 LYS A 390 67.441 4.932 7.368 1.00 0.00 H new ATOM 0 HD3 LYS A 390 67.989 3.322 6.948 1.00 0.00 H new ATOM 0 HE2 LYS A 390 68.779 4.933 9.390 1.00 0.00 H new ATOM 0 HE3 LYS A 390 67.763 3.506 9.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 69.815 2.696 9.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 69.815 2.368 8.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 70.681 3.698 8.937 1.00 0.00 H new ATOM 860 N ASN A 391 68.843 9.284 5.964 1.00 0.00 N ATOM 861 CA ASN A 391 68.828 10.704 6.196 1.00 0.00 C ATOM 862 C ASN A 391 67.376 11.187 6.503 1.00 0.00 C ATOM 863 O ASN A 391 67.164 12.176 7.215 1.00 0.00 O ATOM 864 CB ASN A 391 69.489 11.484 5.054 1.00 0.00 C ATOM 865 CG ASN A 391 71.021 11.567 5.104 1.00 0.00 C ATOM 866 OD1 ASN A 391 71.608 12.550 4.651 1.00 0.00 O ATOM 867 ND2 ASN A 391 71.678 10.554 5.596 1.00 0.00 N ATOM 0 H ASN A 391 69.064 8.983 5.015 1.00 0.00 H new ATOM 0 HA ASN A 391 69.435 10.913 7.077 1.00 0.00 H new ATOM 0 HB2 ASN A 391 69.199 11.024 4.109 1.00 0.00 H new ATOM 0 HB3 ASN A 391 69.088 12.498 5.051 1.00 0.00 H new ATOM 0 HD21 ASN A 391 72.698 10.566 5.611 1.00 0.00 H new ATOM 0 HD22 ASN A 391 71.172 9.749 5.966 1.00 0.00 H new ATOM 874 N LYS A 392 66.395 10.484 5.964 1.00 0.00 N ATOM 875 CA LYS A 392 65.002 10.739 6.273 1.00 0.00 C ATOM 876 C LYS A 392 64.537 9.871 7.470 1.00 0.00 C ATOM 877 O LYS A 392 64.292 10.365 8.567 1.00 0.00 O ATOM 878 CB LYS A 392 64.156 10.421 5.051 1.00 0.00 C ATOM 879 CG LYS A 392 62.669 10.521 5.300 1.00 0.00 C ATOM 880 CD LYS A 392 62.195 11.948 5.498 1.00 0.00 C ATOM 881 CE LYS A 392 60.697 11.996 5.795 1.00 0.00 C ATOM 882 NZ LYS A 392 59.877 11.432 4.703 1.00 0.00 N ATOM 0 H LYS A 392 66.543 9.723 5.302 1.00 0.00 H new ATOM 0 HA LYS A 392 64.886 11.788 6.545 1.00 0.00 H new ATOM 0 HB2 LYS A 392 64.427 11.103 4.245 1.00 0.00 H new ATOM 0 HB3 LYS A 392 64.391 9.413 4.709 1.00 0.00 H new ATOM 0 HG2 LYS A 392 62.135 10.080 4.458 1.00 0.00 H new ATOM 0 HG3 LYS A 392 62.414 9.934 6.182 1.00 0.00 H new ATOM 0 HD2 LYS A 392 62.746 12.407 6.319 1.00 0.00 H new ATOM 0 HD3 LYS A 392 62.410 12.533 4.604 1.00 0.00 H new ATOM 0 HE2 LYS A 392 60.496 11.447 6.715 1.00 0.00 H new ATOM 0 HE3 LYS A 392 60.399 13.030 5.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 392 58.874 11.642 4.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 392 60.166 11.855 3.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 392 60.013 10.402 4.663 1.00 0.00 H new ATOM 896 N THR A 393 64.509 8.577 7.252 1.00 0.00 N ATOM 897 CA THR A 393 64.051 7.613 8.200 1.00 0.00 C ATOM 898 C THR A 393 65.229 6.754 8.690 1.00 0.00 C ATOM 899 O THR A 393 65.392 5.571 8.370 1.00 0.00 O ATOM 900 CB THR A 393 63.010 6.715 7.604 1.00 0.00 C ATOM 901 OG1 THR A 393 62.008 7.505 6.934 1.00 0.00 O ATOM 902 CG2 THR A 393 62.363 5.843 8.667 1.00 0.00 C ATOM 0 H THR A 393 64.818 8.161 6.374 1.00 0.00 H new ATOM 0 HA THR A 393 63.610 8.156 9.036 1.00 0.00 H new ATOM 0 HB THR A 393 63.497 6.060 6.882 1.00 0.00 H new ATOM 0 HG1 THR A 393 61.331 6.913 6.545 1.00 0.00 H new ATOM 0 HG21 THR A 393 61.612 5.202 8.205 1.00 0.00 H new ATOM 0 HG22 THR A 393 63.124 5.225 9.143 1.00 0.00 H new ATOM 0 HG23 THR A 393 61.888 6.476 9.417 1.00 0.00 H new ATOM 910 N ARG A 394 66.103 7.449 9.258 1.00 0.00 N ATOM 911 CA ARG A 394 67.271 6.983 10.033 1.00 0.00 C ATOM 912 C ARG A 394 66.950 5.938 11.120 1.00 0.00 C ATOM 913 O ARG A 394 67.864 5.367 11.721 1.00 0.00 O ATOM 914 CB ARG A 394 68.043 8.173 10.627 1.00 0.00 C ATOM 915 CG ARG A 394 67.250 9.069 11.518 1.00 0.00 C ATOM 916 CD ARG A 394 68.142 9.962 12.355 1.00 0.00 C ATOM 917 NE ARG A 394 67.364 10.774 13.297 1.00 0.00 N ATOM 918 CZ ARG A 394 67.769 11.139 14.528 1.00 0.00 C ATOM 919 NH1 ARG A 394 68.964 10.760 14.997 1.00 0.00 N ATOM 920 NH2 ARG A 394 66.964 11.878 15.285 1.00 0.00 N ATOM 0 H ARG A 394 66.064 8.468 9.220 1.00 0.00 H new ATOM 0 HA ARG A 394 67.902 6.461 9.314 1.00 0.00 H new ATOM 0 HB2 ARG A 394 68.893 7.788 11.190 1.00 0.00 H new ATOM 0 HB3 ARG A 394 68.447 8.768 9.808 1.00 0.00 H new ATOM 0 HG2 ARG A 394 66.583 9.685 10.914 1.00 0.00 H new ATOM 0 HG3 ARG A 394 66.621 8.466 12.173 1.00 0.00 H new ATOM 0 HD2 ARG A 394 68.856 9.350 12.906 1.00 0.00 H new ATOM 0 HD3 ARG A 394 68.719 10.616 11.701 1.00 0.00 H new ATOM 0 HE ARG A 394 66.442 11.087 12.995 1.00 0.00 H new ATOM 0 HH11 ARG A 394 69.580 10.188 14.420 1.00 0.00 H new ATOM 0 HH12 ARG A 394 69.258 11.044 15.931 1.00 0.00 H new ATOM 0 HH21 ARG A 394 66.050 12.162 14.932 1.00 0.00 H new ATOM 0 HH22 ARG A 394 67.260 12.161 16.219 1.00 0.00 H new ATOM 934 N GLU A 395 65.694 5.703 11.368 1.00 0.00 N ATOM 935 CA GLU A 395 65.286 4.688 12.282 1.00 0.00 C ATOM 936 C GLU A 395 65.296 3.334 11.591 1.00 0.00 C ATOM 937 O GLU A 395 64.470 3.041 10.726 1.00 0.00 O ATOM 938 CB GLU A 395 63.921 4.987 12.858 1.00 0.00 C ATOM 939 CG GLU A 395 63.876 6.245 13.697 1.00 0.00 C ATOM 940 CD GLU A 395 62.541 6.437 14.340 1.00 0.00 C ATOM 941 OE1 GLU A 395 62.267 5.765 15.352 1.00 0.00 O ATOM 942 OE2 GLU A 395 61.746 7.264 13.850 1.00 0.00 O ATOM 0 H GLU A 395 64.924 6.215 10.937 1.00 0.00 H new ATOM 0 HA GLU A 395 65.994 4.666 13.111 1.00 0.00 H new ATOM 0 HB2 GLU A 395 63.205 5.080 12.042 1.00 0.00 H new ATOM 0 HB3 GLU A 395 63.601 4.142 13.468 1.00 0.00 H new ATOM 0 HG2 GLU A 395 64.646 6.196 14.467 1.00 0.00 H new ATOM 0 HG3 GLU A 395 64.105 7.107 13.071 1.00 0.00 H new ATOM 949 N LYS A 396 66.273 2.563 11.934 1.00 0.00 N ATOM 950 CA LYS A 396 66.449 1.232 11.414 1.00 0.00 C ATOM 951 C LYS A 396 66.079 0.242 12.499 1.00 0.00 C ATOM 952 O LYS A 396 66.246 0.541 13.695 1.00 0.00 O ATOM 953 CB LYS A 396 67.936 1.037 11.049 1.00 0.00 C ATOM 954 CG LYS A 396 68.329 -0.358 10.551 1.00 0.00 C ATOM 955 CD LYS A 396 67.822 -0.637 9.153 1.00 0.00 C ATOM 956 CE LYS A 396 68.164 -2.060 8.709 1.00 0.00 C ATOM 957 NZ LYS A 396 67.428 -3.098 9.479 1.00 0.00 N ATOM 0 H LYS A 396 66.994 2.840 12.600 1.00 0.00 H new ATOM 0 HA LYS A 396 65.824 1.081 10.534 1.00 0.00 H new ATOM 0 HB2 LYS A 396 68.199 1.763 10.280 1.00 0.00 H new ATOM 0 HB3 LYS A 396 68.539 1.271 11.927 1.00 0.00 H new ATOM 0 HG2 LYS A 396 69.415 -0.453 10.566 1.00 0.00 H new ATOM 0 HG3 LYS A 396 67.933 -1.109 11.234 1.00 0.00 H new ATOM 0 HD2 LYS A 396 66.742 -0.494 9.121 1.00 0.00 H new ATOM 0 HD3 LYS A 396 68.259 0.078 8.456 1.00 0.00 H new ATOM 0 HE2 LYS A 396 67.934 -2.170 7.649 1.00 0.00 H new ATOM 0 HE3 LYS A 396 69.236 -2.223 8.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 396 67.699 -4.042 9.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 396 67.665 -3.015 10.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 396 66.405 -2.964 9.352 1.00 0.00 H new ATOM 971 N GLU A 397 65.541 -0.887 12.114 1.00 0.00 N ATOM 972 CA GLU A 397 65.351 -1.968 13.026 1.00 0.00 C ATOM 973 C GLU A 397 66.745 -2.551 13.237 1.00 0.00 C ATOM 974 O GLU A 397 67.316 -3.182 12.336 1.00 0.00 O ATOM 975 CB GLU A 397 64.402 -3.011 12.431 1.00 0.00 C ATOM 976 CG GLU A 397 63.024 -2.471 12.018 1.00 0.00 C ATOM 977 CD GLU A 397 62.226 -1.905 13.162 1.00 0.00 C ATOM 978 OE1 GLU A 397 61.610 -2.683 13.911 1.00 0.00 O ATOM 979 OE2 GLU A 397 62.191 -0.670 13.339 1.00 0.00 O ATOM 0 H GLU A 397 65.226 -1.075 11.162 1.00 0.00 H new ATOM 0 HA GLU A 397 64.901 -1.645 13.965 1.00 0.00 H new ATOM 0 HB2 GLU A 397 64.878 -3.458 11.558 1.00 0.00 H new ATOM 0 HB3 GLU A 397 64.260 -3.809 13.160 1.00 0.00 H new ATOM 0 HG2 GLU A 397 63.159 -1.697 11.263 1.00 0.00 H new ATOM 0 HG3 GLU A 397 62.454 -3.275 11.552 1.00 0.00 H new TER 986 GLU A 397 HETATM 987 ZN ZN A 500 60.634 -5.380 0.040 1.00 0.00 ZN