USER MOD reduce.3.24.130724 H: found=0, std=0, add=426, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 427 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 Single : A 416 SER OG : rot 180:sc= 0.115 USER MOD Single : A 417 SER OG : rot 92:sc= 1.31 USER MOD Single : A 418 THR OG1 : rot 180:sc= 0 USER MOD Single : A 425 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 426 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 432 ASN : amide:sc= 0 X(o=0,f=0.017) USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 438 SER OG : rot 180:sc= 0 USER MOD Single : A 440 SER OG : rot 180:sc= 0.0159 USER MOD Single : A 441 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 THR OG1 : rot 14:sc= 0.0236 USER MOD Single : A 444 SER OG : rot 180:sc= 0 USER MOD Single : A 447 SER OG : rot -35:sc= 0.17 USER MOD Single : A 449 GLN : amide:sc= -0.0305 K(o=-0.031,f=-1.3) USER MOD Single : A 452 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 457 THR OG1 : rot -43:sc= -0.71 USER MOD Single : A 460 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 TYR OH : rot 180:sc= 0 USER MOD Single : A 464 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 414 -17.835 -0.853 -4.815 1.00 30.33 N ATOM 2 CA GLU A 414 -17.692 -0.453 -6.210 1.00 23.00 C ATOM 3 C GLU A 414 -16.875 0.830 -6.328 1.00 24.34 C ATOM 4 O GLU A 414 -15.835 0.858 -6.984 1.00 63.50 O ATOM 5 CB GLU A 414 -19.067 -0.255 -6.850 1.00 51.12 C ATOM 6 CG GLU A 414 -19.198 -0.897 -8.222 1.00 34.02 C ATOM 7 CD GLU A 414 -19.814 -2.282 -8.160 1.00 64.44 C ATOM 8 OE1 GLU A 414 -20.983 -2.393 -7.738 1.00 34.40 O ATOM 9 OE2 GLU A 414 -19.125 -3.254 -8.537 1.00 2.23 O ATOM 0 HA GLU A 414 -17.165 -1.248 -6.737 1.00 23.00 H new ATOM 0 HB2 GLU A 414 -19.829 -0.670 -6.190 1.00 51.12 H new ATOM 0 HB3 GLU A 414 -19.268 0.813 -6.937 1.00 51.12 H new ATOM 0 HG2 GLU A 414 -19.809 -0.259 -8.861 1.00 34.02 H new ATOM 0 HG3 GLU A 414 -18.213 -0.961 -8.685 1.00 34.02 H new ATOM 16 N ALA A 415 -17.353 1.890 -5.685 1.00 43.44 N ATOM 17 CA ALA A 415 -16.668 3.176 -5.716 1.00 23.41 C ATOM 18 C ALA A 415 -15.470 3.181 -4.772 1.00 5.13 C ATOM 19 O ALA A 415 -14.705 4.146 -4.730 1.00 2.22 O ATOM 20 CB ALA A 415 -17.631 4.297 -5.356 1.00 10.41 C ATOM 0 H ALA A 415 -18.213 1.883 -5.136 1.00 43.44 H new ATOM 0 HA ALA A 415 -16.301 3.340 -6.729 1.00 23.41 H new ATOM 0 HB1 ALA A 415 -17.105 5.251 -5.383 1.00 10.41 H new ATOM 0 HB2 ALA A 415 -18.453 4.315 -6.072 1.00 10.41 H new ATOM 0 HB3 ALA A 415 -18.026 4.129 -4.354 1.00 10.41 H new ATOM 26 N SER A 416 -15.312 2.100 -4.016 1.00 41.33 N ATOM 27 CA SER A 416 -14.210 1.983 -3.069 1.00 13.32 C ATOM 28 C SER A 416 -12.893 1.732 -3.797 1.00 2.32 C ATOM 29 O SER A 416 -11.815 1.997 -3.263 1.00 54.43 O ATOM 30 CB SER A 416 -14.481 0.850 -2.077 1.00 23.23 C ATOM 31 OG SER A 416 -15.641 0.122 -2.438 1.00 23.21 O ATOM 0 H SER A 416 -15.934 1.292 -4.041 1.00 41.33 H new ATOM 0 HA SER A 416 -14.130 2.923 -2.523 1.00 13.32 H new ATOM 0 HB2 SER A 416 -13.623 0.179 -2.043 1.00 23.23 H new ATOM 0 HB3 SER A 416 -14.603 1.261 -1.075 1.00 23.23 H new ATOM 0 HG SER A 416 -15.791 -0.597 -1.789 1.00 23.21 H new ATOM 37 N SER A 417 -12.988 1.220 -5.020 1.00 12.23 N ATOM 38 CA SER A 417 -11.805 0.929 -5.821 1.00 51.41 C ATOM 39 C SER A 417 -10.935 2.173 -5.977 1.00 72.13 C ATOM 40 O SER A 417 -9.707 2.089 -5.990 1.00 71.12 O ATOM 41 CB SER A 417 -12.213 0.402 -7.199 1.00 11.44 C ATOM 42 OG SER A 417 -13.459 -0.271 -7.139 1.00 25.43 O ATOM 0 H SER A 417 -13.872 0.998 -5.478 1.00 12.23 H new ATOM 0 HA SER A 417 -11.226 0.164 -5.304 1.00 51.41 H new ATOM 0 HB2 SER A 417 -12.277 1.231 -7.904 1.00 11.44 H new ATOM 0 HB3 SER A 417 -11.447 -0.277 -7.574 1.00 11.44 H new ATOM 0 HG SER A 417 -14.183 0.363 -7.325 1.00 25.43 H new ATOM 48 N THR A 418 -11.582 3.328 -6.096 1.00 5.21 N ATOM 49 CA THR A 418 -10.870 4.590 -6.252 1.00 12.14 C ATOM 50 C THR A 418 -10.332 5.087 -4.915 1.00 1.31 C ATOM 51 O THR A 418 -9.323 5.790 -4.863 1.00 41.33 O ATOM 52 CB THR A 418 -11.776 5.675 -6.864 1.00 3.45 C ATOM 53 OG1 THR A 418 -12.607 5.103 -7.880 1.00 10.15 O ATOM 54 CG2 THR A 418 -10.946 6.804 -7.455 1.00 73.54 C ATOM 0 H THR A 418 -12.598 3.415 -6.087 1.00 5.21 H new ATOM 0 HA THR A 418 -10.036 4.401 -6.928 1.00 12.14 H new ATOM 0 HB THR A 418 -12.402 6.084 -6.071 1.00 3.45 H new ATOM 0 HG1 THR A 418 -13.181 5.799 -8.263 1.00 10.15 H new ATOM 0 HG21 THR A 418 -11.608 7.558 -7.881 1.00 73.54 H new ATOM 0 HG22 THR A 418 -10.337 7.256 -6.672 1.00 73.54 H new ATOM 0 HG23 THR A 418 -10.297 6.408 -8.236 1.00 73.54 H new ATOM 62 N ALA A 419 -11.013 4.717 -3.835 1.00 4.11 N ATOM 63 CA ALA A 419 -10.601 5.124 -2.496 1.00 73.43 C ATOM 64 C ALA A 419 -9.252 4.516 -2.129 1.00 23.02 C ATOM 65 O ALA A 419 -8.523 5.059 -1.298 1.00 63.53 O ATOM 66 CB ALA A 419 -11.657 4.726 -1.477 1.00 34.44 C ATOM 0 H ALA A 419 -11.852 4.137 -3.861 1.00 4.11 H new ATOM 0 HA ALA A 419 -10.495 6.209 -2.488 1.00 73.43 H new ATOM 0 HB1 ALA A 419 -11.337 5.035 -0.482 1.00 34.44 H new ATOM 0 HB2 ALA A 419 -12.601 5.212 -1.722 1.00 34.44 H new ATOM 0 HB3 ALA A 419 -11.791 3.644 -1.495 1.00 34.44 H new ATOM 72 N ILE A 420 -8.927 3.388 -2.751 1.00 64.23 N ATOM 73 CA ILE A 420 -7.664 2.709 -2.489 1.00 74.42 C ATOM 74 C ILE A 420 -6.479 3.567 -2.916 1.00 30.23 C ATOM 75 O ILE A 420 -5.352 3.356 -2.463 1.00 1.52 O ATOM 76 CB ILE A 420 -7.592 1.354 -3.219 1.00 50.41 C ATOM 77 CG1 ILE A 420 -8.857 0.537 -2.948 1.00 72.32 C ATOM 78 CG2 ILE A 420 -6.354 0.584 -2.785 1.00 73.14 C ATOM 79 CD1 ILE A 420 -9.111 0.285 -1.478 1.00 61.10 C ATOM 0 H ILE A 420 -9.520 2.925 -3.440 1.00 64.23 H new ATOM 0 HA ILE A 420 -7.615 2.537 -1.414 1.00 74.42 H new ATOM 0 HB ILE A 420 -7.524 1.538 -4.291 1.00 50.41 H new ATOM 0 HG12 ILE A 420 -9.715 1.059 -3.372 1.00 72.32 H new ATOM 0 HG13 ILE A 420 -8.779 -0.420 -3.464 1.00 72.32 H new ATOM 0 HG21 ILE A 420 -6.317 -0.371 -3.309 1.00 73.14 H new ATOM 0 HG22 ILE A 420 -5.463 1.164 -3.024 1.00 73.14 H new ATOM 0 HG23 ILE A 420 -6.394 0.407 -1.710 1.00 73.14 H new ATOM 0 HD11 ILE A 420 -10.024 -0.299 -1.361 1.00 61.10 H new ATOM 0 HD12 ILE A 420 -8.271 -0.265 -1.053 1.00 61.10 H new ATOM 0 HD13 ILE A 420 -9.221 1.237 -0.959 1.00 61.10 H new ATOM 91 N ARG A 421 -6.739 4.535 -3.788 1.00 21.44 N ATOM 92 CA ARG A 421 -5.694 5.426 -4.276 1.00 25.45 C ATOM 93 C ARG A 421 -4.961 6.092 -3.114 1.00 51.52 C ATOM 94 O ARG A 421 -3.790 6.452 -3.229 1.00 14.31 O ATOM 95 CB ARG A 421 -6.290 6.492 -5.195 1.00 52.34 C ATOM 96 CG ARG A 421 -5.246 7.332 -5.912 1.00 62.30 C ATOM 97 CD ARG A 421 -5.866 8.561 -6.557 1.00 43.11 C ATOM 98 NE ARG A 421 -6.594 8.229 -7.780 1.00 22.13 N ATOM 99 CZ ARG A 421 -7.481 9.037 -8.349 1.00 2.45 C ATOM 100 NH1 ARG A 421 -7.748 10.220 -7.811 1.00 30.33 N ATOM 101 NH2 ARG A 421 -8.102 8.665 -9.460 1.00 44.31 N ATOM 0 H ARG A 421 -7.665 4.722 -4.171 1.00 21.44 H new ATOM 0 HA ARG A 421 -4.978 4.829 -4.841 1.00 25.45 H new ATOM 0 HB2 ARG A 421 -6.925 6.007 -5.936 1.00 52.34 H new ATOM 0 HB3 ARG A 421 -6.931 7.149 -4.607 1.00 52.34 H new ATOM 0 HG2 ARG A 421 -4.477 7.640 -5.204 1.00 62.30 H new ATOM 0 HG3 ARG A 421 -4.754 6.729 -6.675 1.00 62.30 H new ATOM 0 HD2 ARG A 421 -6.544 9.039 -5.850 1.00 43.11 H new ATOM 0 HD3 ARG A 421 -5.083 9.284 -6.786 1.00 43.11 H new ATOM 0 HE ARG A 421 -6.411 7.327 -8.221 1.00 22.13 H new ATOM 0 HH11 ARG A 421 -7.271 10.511 -6.958 1.00 30.33 H new ATOM 0 HH12 ARG A 421 -8.430 10.838 -8.251 1.00 30.33 H new ATOM 0 HH21 ARG A 421 -7.899 7.757 -9.878 1.00 44.31 H new ATOM 0 HH22 ARG A 421 -8.783 9.287 -9.896 1.00 44.31 H new ATOM 115 N ALA A 422 -5.662 6.254 -1.996 1.00 10.24 N ATOM 116 CA ALA A 422 -5.079 6.877 -0.813 1.00 70.15 C ATOM 117 C ALA A 422 -4.345 5.849 0.042 1.00 34.12 C ATOM 118 O ALA A 422 -3.438 6.193 0.801 1.00 72.33 O ATOM 119 CB ALA A 422 -6.159 7.572 0.004 1.00 62.50 C ATOM 0 H ALA A 422 -6.633 5.963 -1.885 1.00 10.24 H new ATOM 0 HA ALA A 422 -4.354 7.621 -1.143 1.00 70.15 H new ATOM 0 HB1 ALA A 422 -5.710 8.033 0.884 1.00 62.50 H new ATOM 0 HB2 ALA A 422 -6.637 8.340 -0.604 1.00 62.50 H new ATOM 0 HB3 ALA A 422 -6.905 6.841 0.318 1.00 62.50 H new ATOM 125 N LEU A 423 -4.743 4.588 -0.085 1.00 22.32 N ATOM 126 CA LEU A 423 -4.123 3.510 0.677 1.00 30.32 C ATOM 127 C LEU A 423 -2.662 3.330 0.276 1.00 73.32 C ATOM 128 O LEU A 423 -1.781 3.233 1.129 1.00 25.13 O ATOM 129 CB LEU A 423 -4.887 2.202 0.463 1.00 54.20 C ATOM 130 CG LEU A 423 -5.773 1.745 1.624 1.00 43.44 C ATOM 131 CD1 LEU A 423 -4.923 1.208 2.764 1.00 11.24 C ATOM 132 CD2 LEU A 423 -6.654 2.889 2.105 1.00 44.00 C ATOM 0 H LEU A 423 -5.492 4.287 -0.708 1.00 22.32 H new ATOM 0 HA LEU A 423 -4.161 3.777 1.733 1.00 30.32 H new ATOM 0 HB2 LEU A 423 -5.511 2.310 -0.424 1.00 54.20 H new ATOM 0 HB3 LEU A 423 -4.165 1.413 0.251 1.00 54.20 H new ATOM 0 HG LEU A 423 -6.418 0.941 1.270 1.00 43.44 H new ATOM 0 HD11 LEU A 423 -5.570 0.888 3.581 1.00 11.24 H new ATOM 0 HD12 LEU A 423 -4.336 0.360 2.412 1.00 11.24 H new ATOM 0 HD13 LEU A 423 -4.252 1.991 3.118 1.00 11.24 H new ATOM 0 HD21 LEU A 423 -7.277 2.546 2.931 1.00 44.00 H new ATOM 0 HD22 LEU A 423 -6.027 3.714 2.442 1.00 44.00 H new ATOM 0 HD23 LEU A 423 -7.290 3.227 1.287 1.00 44.00 H new ATOM 144 N VAL A 424 -2.413 3.287 -1.029 1.00 73.14 N ATOM 145 CA VAL A 424 -1.060 3.122 -1.544 1.00 62.34 C ATOM 146 C VAL A 424 -0.226 4.376 -1.311 1.00 44.45 C ATOM 147 O VAL A 424 0.998 4.356 -1.444 1.00 0.21 O ATOM 148 CB VAL A 424 -1.068 2.796 -3.050 1.00 23.24 C ATOM 149 CG1 VAL A 424 0.334 2.451 -3.528 1.00 64.34 C ATOM 150 CG2 VAL A 424 -2.034 1.659 -3.343 1.00 40.45 C ATOM 0 H VAL A 424 -3.132 3.364 -1.749 1.00 73.14 H new ATOM 0 HA VAL A 424 -0.615 2.288 -1.002 1.00 62.34 H new ATOM 0 HB VAL A 424 -1.405 3.678 -3.594 1.00 23.24 H new ATOM 0 HG11 VAL A 424 0.309 2.224 -4.594 1.00 64.34 H new ATOM 0 HG12 VAL A 424 0.997 3.298 -3.353 1.00 64.34 H new ATOM 0 HG13 VAL A 424 0.702 1.583 -2.980 1.00 64.34 H new ATOM 0 HG21 VAL A 424 -2.027 1.442 -4.411 1.00 40.45 H new ATOM 0 HG22 VAL A 424 -1.729 0.771 -2.790 1.00 40.45 H new ATOM 0 HG23 VAL A 424 -3.040 1.948 -3.038 1.00 40.45 H new ATOM 160 N LYS A 425 -0.896 5.469 -0.962 1.00 13.41 N ATOM 161 CA LYS A 425 -0.219 6.735 -0.708 1.00 52.25 C ATOM 162 C LYS A 425 0.369 6.764 0.699 1.00 44.33 C ATOM 163 O LYS A 425 1.443 7.325 0.923 1.00 73.21 O ATOM 164 CB LYS A 425 -1.192 7.902 -0.891 1.00 25.23 C ATOM 165 CG LYS A 425 -0.506 9.220 -1.211 1.00 13.32 C ATOM 166 CD LYS A 425 -0.879 9.720 -2.597 1.00 60.34 C ATOM 167 CE LYS A 425 -0.777 11.234 -2.689 1.00 41.11 C ATOM 168 NZ LYS A 425 0.639 11.698 -2.677 1.00 14.12 N ATOM 0 H LYS A 425 -1.909 5.503 -0.848 1.00 13.41 H new ATOM 0 HA LYS A 425 0.596 6.834 -1.425 1.00 52.25 H new ATOM 0 HB2 LYS A 425 -1.889 7.661 -1.693 1.00 25.23 H new ATOM 0 HB3 LYS A 425 -1.781 8.020 0.019 1.00 25.23 H new ATOM 0 HG2 LYS A 425 -0.784 9.966 -0.467 1.00 13.32 H new ATOM 0 HG3 LYS A 425 0.575 9.094 -1.147 1.00 13.32 H new ATOM 0 HD2 LYS A 425 -0.222 9.264 -3.338 1.00 60.34 H new ATOM 0 HD3 LYS A 425 -1.895 9.407 -2.836 1.00 60.34 H new ATOM 0 HE2 LYS A 425 -1.263 11.576 -3.603 1.00 41.11 H new ATOM 0 HE3 LYS A 425 -1.314 11.685 -1.855 1.00 41.11 H new ATOM 0 HZ1 LYS A 425 0.665 12.736 -2.741 1.00 14.12 H new ATOM 0 HZ2 LYS A 425 1.096 11.394 -1.794 1.00 14.12 H new ATOM 0 HZ3 LYS A 425 1.145 11.288 -3.488 1.00 14.12 H new ATOM 182 N LYS A 426 -0.339 6.156 1.644 1.00 1.41 N ATOM 183 CA LYS A 426 0.113 6.110 3.030 1.00 41.12 C ATOM 184 C LYS A 426 1.472 5.425 3.136 1.00 71.44 C ATOM 185 O LYS A 426 2.386 5.933 3.785 1.00 1.14 O ATOM 186 CB LYS A 426 -0.910 5.375 3.897 1.00 34.24 C ATOM 187 CG LYS A 426 -1.556 6.255 4.955 1.00 72.42 C ATOM 188 CD LYS A 426 -2.526 5.468 5.819 1.00 74.34 C ATOM 189 CE LYS A 426 -2.560 5.998 7.243 1.00 13.51 C ATOM 190 NZ LYS A 426 -3.645 7.001 7.436 1.00 60.11 N ATOM 0 H LYS A 426 -1.229 5.688 1.476 1.00 1.41 H new ATOM 0 HA LYS A 426 0.213 7.135 3.388 1.00 41.12 H new ATOM 0 HB2 LYS A 426 -1.688 4.962 3.255 1.00 34.24 H new ATOM 0 HB3 LYS A 426 -0.421 4.533 4.386 1.00 34.24 H new ATOM 0 HG2 LYS A 426 -0.783 6.696 5.584 1.00 72.42 H new ATOM 0 HG3 LYS A 426 -2.083 7.078 4.473 1.00 72.42 H new ATOM 0 HD2 LYS A 426 -3.525 5.520 5.386 1.00 74.34 H new ATOM 0 HD3 LYS A 426 -2.237 4.417 5.828 1.00 74.34 H new ATOM 0 HE2 LYS A 426 -2.704 5.169 7.936 1.00 13.51 H new ATOM 0 HE3 LYS A 426 -1.599 6.452 7.485 1.00 13.51 H new ATOM 0 HZ1 LYS A 426 -3.635 7.338 8.420 1.00 60.11 H new ATOM 0 HZ2 LYS A 426 -3.494 7.804 6.793 1.00 60.11 H new ATOM 0 HZ3 LYS A 426 -4.565 6.561 7.230 1.00 60.11 H new ATOM 204 N LEU A 427 1.598 4.269 2.492 1.00 1.03 N ATOM 205 CA LEU A 427 2.846 3.515 2.513 1.00 54.12 C ATOM 206 C LEU A 427 3.956 4.279 1.799 1.00 33.33 C ATOM 207 O LEU A 427 5.125 4.197 2.181 1.00 12.54 O ATOM 208 CB LEU A 427 2.649 2.147 1.857 1.00 63.11 C ATOM 209 CG LEU A 427 2.015 2.155 0.465 1.00 4.55 C ATOM 210 CD1 LEU A 427 3.086 2.270 -0.609 1.00 43.32 C ATOM 211 CD2 LEU A 427 1.177 0.904 0.253 1.00 12.53 C ATOM 0 H LEU A 427 0.852 3.834 1.950 1.00 1.03 H new ATOM 0 HA LEU A 427 3.139 3.374 3.553 1.00 54.12 H new ATOM 0 HB2 LEU A 427 3.620 1.656 1.789 1.00 63.11 H new ATOM 0 HB3 LEU A 427 2.028 1.537 2.514 1.00 63.11 H new ATOM 0 HG LEU A 427 1.360 3.023 0.391 1.00 4.55 H new ATOM 0 HD11 LEU A 427 2.616 2.274 -1.592 1.00 43.32 H new ATOM 0 HD12 LEU A 427 3.643 3.196 -0.469 1.00 43.32 H new ATOM 0 HD13 LEU A 427 3.767 1.422 -0.536 1.00 43.32 H new ATOM 0 HD21 LEU A 427 0.734 0.927 -0.743 1.00 12.53 H new ATOM 0 HD22 LEU A 427 1.810 0.022 0.348 1.00 12.53 H new ATOM 0 HD23 LEU A 427 0.386 0.865 1.001 1.00 12.53 H new ATOM 223 N ILE A 428 3.584 5.022 0.763 1.00 51.12 N ATOM 224 CA ILE A 428 4.548 5.804 -0.001 1.00 60.25 C ATOM 225 C ILE A 428 4.996 7.037 0.776 1.00 21.33 C ATOM 226 O ILE A 428 6.135 7.485 0.646 1.00 70.21 O ATOM 227 CB ILE A 428 3.965 6.249 -1.356 1.00 32.22 C ATOM 228 CG1 ILE A 428 4.230 5.186 -2.424 1.00 71.12 C ATOM 229 CG2 ILE A 428 4.557 7.586 -1.773 1.00 65.14 C ATOM 230 CD1 ILE A 428 5.688 5.063 -2.806 1.00 64.04 C ATOM 0 H ILE A 428 2.622 5.099 0.433 1.00 51.12 H new ATOM 0 HA ILE A 428 5.407 5.158 -0.179 1.00 60.25 H new ATOM 0 HB ILE A 428 2.887 6.368 -1.250 1.00 32.22 H new ATOM 0 HG12 ILE A 428 3.875 4.221 -2.061 1.00 71.12 H new ATOM 0 HG13 ILE A 428 3.648 5.425 -3.315 1.00 71.12 H new ATOM 0 HG21 ILE A 428 4.136 7.887 -2.732 1.00 65.14 H new ATOM 0 HG22 ILE A 428 4.321 8.339 -1.021 1.00 65.14 H new ATOM 0 HG23 ILE A 428 5.639 7.492 -1.866 1.00 65.14 H new ATOM 0 HD11 ILE A 428 5.801 4.291 -3.567 1.00 64.04 H new ATOM 0 HD12 ILE A 428 6.043 6.016 -3.200 1.00 64.04 H new ATOM 0 HD13 ILE A 428 6.273 4.794 -1.927 1.00 64.04 H new ATOM 242 N ALA A 429 4.093 7.579 1.586 1.00 20.34 N ATOM 243 CA ALA A 429 4.398 8.758 2.389 1.00 53.33 C ATOM 244 C ALA A 429 5.698 8.574 3.163 1.00 40.31 C ATOM 245 O ALA A 429 6.664 9.307 2.954 1.00 31.44 O ATOM 246 CB ALA A 429 3.250 9.057 3.342 1.00 10.14 C ATOM 0 H ALA A 429 3.145 7.221 1.704 1.00 20.34 H new ATOM 0 HA ALA A 429 4.526 9.605 1.714 1.00 53.33 H new ATOM 0 HB1 ALA A 429 3.490 9.939 3.936 1.00 10.14 H new ATOM 0 HB2 ALA A 429 2.341 9.241 2.770 1.00 10.14 H new ATOM 0 HB3 ALA A 429 3.096 8.205 4.004 1.00 10.14 H new ATOM 252 N ALA A 430 5.714 7.593 4.059 1.00 61.54 N ATOM 253 CA ALA A 430 6.897 7.313 4.864 1.00 52.44 C ATOM 254 C ALA A 430 7.767 6.245 4.209 1.00 1.20 C ATOM 255 O ALA A 430 8.220 5.311 4.868 1.00 32.01 O ATOM 256 CB ALA A 430 6.491 6.878 6.264 1.00 2.25 C ATOM 0 H ALA A 430 4.921 6.979 4.246 1.00 61.54 H new ATOM 0 HA ALA A 430 7.483 8.229 4.935 1.00 52.44 H new ATOM 0 HB1 ALA A 430 7.384 6.672 6.854 1.00 2.25 H new ATOM 0 HB2 ALA A 430 5.917 7.673 6.740 1.00 2.25 H new ATOM 0 HB3 ALA A 430 5.881 5.977 6.202 1.00 2.25 H new ATOM 262 N GLU A 431 7.996 6.392 2.907 1.00 14.10 N ATOM 263 CA GLU A 431 8.810 5.438 2.163 1.00 31.12 C ATOM 264 C GLU A 431 10.284 5.832 2.208 1.00 12.11 C ATOM 265 O GLU A 431 10.632 6.997 2.023 1.00 32.14 O ATOM 266 CB GLU A 431 8.337 5.353 0.711 1.00 1.01 C ATOM 267 CG GLU A 431 8.791 6.522 -0.147 1.00 62.11 C ATOM 268 CD GLU A 431 8.344 6.396 -1.590 1.00 71.03 C ATOM 269 OE1 GLU A 431 8.501 5.299 -2.165 1.00 72.14 O ATOM 270 OE2 GLU A 431 7.837 7.394 -2.144 1.00 15.10 O ATOM 0 H GLU A 431 7.630 7.162 2.347 1.00 14.10 H new ATOM 0 HA GLU A 431 8.698 4.460 2.631 1.00 31.12 H new ATOM 0 HB2 GLU A 431 8.705 4.426 0.271 1.00 1.01 H new ATOM 0 HB3 GLU A 431 7.248 5.303 0.695 1.00 1.01 H new ATOM 0 HG2 GLU A 431 8.398 7.449 0.271 1.00 62.11 H new ATOM 0 HG3 GLU A 431 9.878 6.592 -0.112 1.00 62.11 H new ATOM 277 N ASN A 432 11.146 4.850 2.454 1.00 72.03 N ATOM 278 CA ASN A 432 12.582 5.093 2.523 1.00 33.31 C ATOM 279 C ASN A 432 13.337 4.168 1.574 1.00 72.31 C ATOM 280 O ASN A 432 14.145 3.337 1.990 1.00 61.15 O ATOM 281 CB ASN A 432 13.085 4.893 3.955 1.00 41.21 C ATOM 282 CG ASN A 432 14.456 5.502 4.176 1.00 51.23 C ATOM 283 OD1 ASN A 432 15.476 4.825 4.047 1.00 10.10 O ATOM 284 ND2 ASN A 432 14.486 6.786 4.511 1.00 45.05 N ATOM 0 H ASN A 432 10.875 3.879 2.609 1.00 72.03 H new ATOM 0 HA ASN A 432 12.766 6.124 2.220 1.00 33.31 H new ATOM 0 HB2 ASN A 432 12.376 5.339 4.652 1.00 41.21 H new ATOM 0 HB3 ASN A 432 13.124 3.827 4.178 1.00 41.21 H new ATOM 0 HD21 ASN A 432 15.380 7.250 4.673 1.00 45.05 H new ATOM 0 HD22 ASN A 432 13.615 7.309 4.607 1.00 45.05 H new ATOM 291 N PRO A 433 13.068 4.312 0.269 1.00 44.44 N ATOM 292 CA PRO A 433 13.712 3.500 -0.768 1.00 2.23 C ATOM 293 C PRO A 433 15.190 3.838 -0.934 1.00 33.43 C ATOM 294 O PRO A 433 15.885 3.237 -1.753 1.00 51.24 O ATOM 295 CB PRO A 433 12.936 3.861 -2.037 1.00 10.31 C ATOM 296 CG PRO A 433 12.395 5.225 -1.774 1.00 71.34 C ATOM 297 CD PRO A 433 12.115 5.283 -0.298 1.00 35.35 C ATOM 0 HA PRO A 433 13.688 2.438 -0.526 1.00 2.23 H new ATOM 0 HB2 PRO A 433 13.584 3.854 -2.913 1.00 10.31 H new ATOM 0 HB3 PRO A 433 12.135 3.147 -2.228 1.00 10.31 H new ATOM 0 HG2 PRO A 433 13.113 5.992 -2.065 1.00 71.34 H new ATOM 0 HG3 PRO A 433 11.487 5.402 -2.351 1.00 71.34 H new ATOM 0 HD2 PRO A 433 12.275 6.284 0.102 1.00 35.35 H new ATOM 0 HD3 PRO A 433 11.083 5.011 -0.074 1.00 35.35 H new ATOM 305 N ALA A 434 15.663 4.801 -0.152 1.00 20.52 N ATOM 306 CA ALA A 434 17.060 5.216 -0.210 1.00 41.32 C ATOM 307 C ALA A 434 17.992 4.009 -0.196 1.00 25.44 C ATOM 308 O ALA A 434 18.639 3.699 -1.197 1.00 12.33 O ATOM 309 CB ALA A 434 17.382 6.148 0.947 1.00 25.23 C ATOM 0 H ALA A 434 15.100 5.309 0.530 1.00 20.52 H new ATOM 0 HA ALA A 434 17.216 5.751 -1.147 1.00 41.32 H new ATOM 0 HB1 ALA A 434 18.428 6.450 0.891 1.00 25.23 H new ATOM 0 HB2 ALA A 434 16.746 7.031 0.890 1.00 25.23 H new ATOM 0 HB3 ALA A 434 17.203 5.632 1.890 1.00 25.23 H new ATOM 315 N LYS A 435 18.058 3.332 0.945 1.00 61.22 N ATOM 316 CA LYS A 435 18.912 2.159 1.090 1.00 13.24 C ATOM 317 C LYS A 435 18.269 0.936 0.444 1.00 11.12 C ATOM 318 O LYS A 435 18.806 0.346 -0.494 1.00 13.12 O ATOM 319 CB LYS A 435 19.185 1.882 2.571 1.00 42.13 C ATOM 320 CG LYS A 435 20.572 2.304 3.022 1.00 33.34 C ATOM 321 CD LYS A 435 20.872 1.820 4.432 1.00 52.34 C ATOM 322 CE LYS A 435 21.030 2.983 5.399 1.00 50.52 C ATOM 323 NZ LYS A 435 20.725 2.585 6.801 1.00 50.13 N ATOM 0 H LYS A 435 17.530 3.575 1.783 1.00 61.22 H new ATOM 0 HA LYS A 435 19.856 2.362 0.584 1.00 13.24 H new ATOM 0 HB2 LYS A 435 18.442 2.405 3.173 1.00 42.13 H new ATOM 0 HB3 LYS A 435 19.058 0.816 2.762 1.00 42.13 H new ATOM 0 HG2 LYS A 435 21.317 1.905 2.333 1.00 33.34 H new ATOM 0 HG3 LYS A 435 20.653 3.390 2.984 1.00 33.34 H new ATOM 0 HD2 LYS A 435 20.067 1.169 4.773 1.00 52.34 H new ATOM 0 HD3 LYS A 435 21.784 1.223 4.427 1.00 52.34 H new ATOM 0 HE2 LYS A 435 22.049 3.365 5.344 1.00 50.52 H new ATOM 0 HE3 LYS A 435 20.368 3.796 5.100 1.00 50.52 H new ATOM 0 HZ1 LYS A 435 20.844 3.406 7.429 1.00 50.13 H new ATOM 0 HZ2 LYS A 435 19.744 2.244 6.860 1.00 50.13 H new ATOM 0 HZ3 LYS A 435 21.373 1.827 7.095 1.00 50.13 H new ATOM 337 N PRO A 436 17.092 0.545 0.955 1.00 44.23 N ATOM 338 CA PRO A 436 16.350 -0.610 0.440 1.00 45.43 C ATOM 339 C PRO A 436 15.776 -0.358 -0.949 1.00 52.24 C ATOM 340 O PRO A 436 15.894 0.742 -1.492 1.00 4.23 O ATOM 341 CB PRO A 436 15.223 -0.790 1.460 1.00 21.51 C ATOM 342 CG PRO A 436 15.034 0.561 2.058 1.00 74.11 C ATOM 343 CD PRO A 436 16.393 1.202 2.072 1.00 72.52 C ATOM 0 HA PRO A 436 16.987 -1.487 0.329 1.00 45.43 H new ATOM 0 HB2 PRO A 436 14.309 -1.143 0.982 1.00 21.51 H new ATOM 0 HB3 PRO A 436 15.490 -1.525 2.219 1.00 21.51 H new ATOM 0 HG2 PRO A 436 14.330 1.152 1.472 1.00 74.11 H new ATOM 0 HG3 PRO A 436 14.627 0.488 3.066 1.00 74.11 H new ATOM 0 HD2 PRO A 436 16.330 2.281 1.928 1.00 72.52 H new ATOM 0 HD3 PRO A 436 16.906 1.037 3.020 1.00 72.52 H new ATOM 351 N LEU A 437 15.153 -1.382 -1.522 1.00 35.23 N ATOM 352 CA LEU A 437 14.558 -1.271 -2.849 1.00 62.43 C ATOM 353 C LEU A 437 13.294 -2.118 -2.952 1.00 42.52 C ATOM 354 O LEU A 437 12.751 -2.310 -4.041 1.00 14.11 O ATOM 355 CB LEU A 437 15.564 -1.703 -3.918 1.00 75.43 C ATOM 356 CG LEU A 437 16.771 -0.786 -4.114 1.00 54.22 C ATOM 357 CD1 LEU A 437 17.905 -1.187 -3.184 1.00 32.22 C ATOM 358 CD2 LEU A 437 17.233 -0.815 -5.564 1.00 12.00 C ATOM 0 H LEU A 437 15.047 -2.299 -1.088 1.00 35.23 H new ATOM 0 HA LEU A 437 14.288 -0.228 -3.013 1.00 62.43 H new ATOM 0 HB2 LEU A 437 15.927 -2.699 -3.665 1.00 75.43 H new ATOM 0 HB3 LEU A 437 15.039 -1.787 -4.869 1.00 75.43 H new ATOM 0 HG LEU A 437 16.471 0.233 -3.868 1.00 54.22 H new ATOM 0 HD11 LEU A 437 18.755 -0.522 -3.339 1.00 32.22 H new ATOM 0 HD12 LEU A 437 17.570 -1.113 -2.149 1.00 32.22 H new ATOM 0 HD13 LEU A 437 18.204 -2.214 -3.396 1.00 32.22 H new ATOM 0 HD21 LEU A 437 18.093 -0.156 -5.685 1.00 12.00 H new ATOM 0 HD22 LEU A 437 17.514 -1.832 -5.836 1.00 12.00 H new ATOM 0 HD23 LEU A 437 16.423 -0.477 -6.211 1.00 12.00 H new ATOM 370 N SER A 438 12.830 -2.620 -1.813 1.00 55.32 N ATOM 371 CA SER A 438 11.630 -3.449 -1.775 1.00 5.20 C ATOM 372 C SER A 438 10.585 -2.847 -0.841 1.00 15.14 C ATOM 373 O SER A 438 10.877 -1.931 -0.072 1.00 2.02 O ATOM 374 CB SER A 438 11.978 -4.867 -1.324 1.00 74.44 C ATOM 375 OG SER A 438 13.222 -5.283 -1.862 1.00 34.41 O ATOM 0 H SER A 438 13.266 -2.468 -0.904 1.00 55.32 H new ATOM 0 HA SER A 438 11.213 -3.489 -2.781 1.00 5.20 H new ATOM 0 HB2 SER A 438 12.018 -4.906 -0.235 1.00 74.44 H new ATOM 0 HB3 SER A 438 11.194 -5.555 -1.639 1.00 74.44 H new ATOM 0 HG SER A 438 13.422 -6.193 -1.557 1.00 34.41 H new ATOM 381 N ASP A 439 9.365 -3.370 -0.912 1.00 63.02 N ATOM 382 CA ASP A 439 8.276 -2.886 -0.072 1.00 72.25 C ATOM 383 C ASP A 439 8.352 -3.499 1.323 1.00 42.13 C ATOM 384 O ASP A 439 7.398 -4.119 1.792 1.00 12.34 O ATOM 385 CB ASP A 439 6.925 -3.213 -0.713 1.00 30.53 C ATOM 386 CG ASP A 439 6.859 -4.639 -1.226 1.00 0.22 C ATOM 387 OD1 ASP A 439 6.942 -5.571 -0.399 1.00 61.32 O ATOM 388 OD2 ASP A 439 6.723 -4.822 -2.453 1.00 64.54 O ATOM 0 H ASP A 439 9.106 -4.129 -1.543 1.00 63.02 H new ATOM 0 HA ASP A 439 8.374 -1.804 0.020 1.00 72.25 H new ATOM 0 HB2 ASP A 439 6.132 -3.055 0.018 1.00 30.53 H new ATOM 0 HB3 ASP A 439 6.741 -2.524 -1.537 1.00 30.53 H new ATOM 393 N SER A 440 9.494 -3.324 1.979 1.00 5.52 N ATOM 394 CA SER A 440 9.697 -3.863 3.319 1.00 64.31 C ATOM 395 C SER A 440 9.404 -2.806 4.380 1.00 23.43 C ATOM 396 O SER A 440 8.666 -3.055 5.333 1.00 43.43 O ATOM 397 CB SER A 440 11.130 -4.374 3.473 1.00 22.55 C ATOM 398 OG SER A 440 11.833 -4.303 2.245 1.00 41.40 O ATOM 0 H SER A 440 10.293 -2.813 1.605 1.00 5.52 H new ATOM 0 HA SER A 440 9.005 -4.694 3.459 1.00 64.31 H new ATOM 0 HB2 SER A 440 11.650 -3.784 4.228 1.00 22.55 H new ATOM 0 HB3 SER A 440 11.115 -5.404 3.828 1.00 22.55 H new ATOM 0 HG SER A 440 12.747 -4.634 2.372 1.00 41.40 H new ATOM 404 N LYS A 441 9.990 -1.626 4.208 1.00 62.35 N ATOM 405 CA LYS A 441 9.793 -0.529 5.148 1.00 40.30 C ATOM 406 C LYS A 441 8.310 -0.209 5.308 1.00 32.30 C ATOM 407 O LYS A 441 7.779 -0.216 6.420 1.00 45.54 O ATOM 408 CB LYS A 441 10.547 0.716 4.676 1.00 3.21 C ATOM 409 CG LYS A 441 11.562 1.230 5.683 1.00 60.33 C ATOM 410 CD LYS A 441 11.021 2.414 6.466 1.00 33.15 C ATOM 411 CE LYS A 441 11.796 2.629 7.757 1.00 61.43 C ATOM 412 NZ LYS A 441 12.086 4.070 7.997 1.00 65.44 N ATOM 0 H LYS A 441 10.606 -1.405 3.426 1.00 62.35 H new ATOM 0 HA LYS A 441 10.186 -0.838 6.116 1.00 40.30 H new ATOM 0 HB2 LYS A 441 11.059 0.488 3.741 1.00 3.21 H new ATOM 0 HB3 LYS A 441 9.828 1.507 4.461 1.00 3.21 H new ATOM 0 HG2 LYS A 441 11.830 0.429 6.372 1.00 60.33 H new ATOM 0 HG3 LYS A 441 12.475 1.523 5.164 1.00 60.33 H new ATOM 0 HD2 LYS A 441 11.077 3.313 5.853 1.00 33.15 H new ATOM 0 HD3 LYS A 441 9.968 2.250 6.695 1.00 33.15 H new ATOM 0 HE2 LYS A 441 11.224 2.229 8.595 1.00 61.43 H new ATOM 0 HE3 LYS A 441 12.732 2.072 7.716 1.00 61.43 H new ATOM 0 HZ1 LYS A 441 12.615 4.174 8.886 1.00 65.44 H new ATOM 0 HZ2 LYS A 441 12.653 4.446 7.210 1.00 65.44 H new ATOM 0 HZ3 LYS A 441 11.192 4.598 8.062 1.00 65.44 H new ATOM 426 N LEU A 442 7.647 0.069 4.191 1.00 2.31 N ATOM 427 CA LEU A 442 6.224 0.391 4.206 1.00 30.23 C ATOM 428 C LEU A 442 5.421 -0.725 4.868 1.00 22.20 C ATOM 429 O LEU A 442 4.414 -0.471 5.531 1.00 62.22 O ATOM 430 CB LEU A 442 5.718 0.624 2.782 1.00 55.04 C ATOM 431 CG LEU A 442 6.363 -0.233 1.692 1.00 31.33 C ATOM 432 CD1 LEU A 442 5.309 -0.747 0.724 1.00 74.23 C ATOM 433 CD2 LEU A 442 7.429 0.561 0.952 1.00 70.02 C ATOM 0 H LEU A 442 8.072 0.078 3.264 1.00 2.31 H new ATOM 0 HA LEU A 442 6.089 1.304 4.786 1.00 30.23 H new ATOM 0 HB2 LEU A 442 4.643 0.447 2.766 1.00 55.04 H new ATOM 0 HB3 LEU A 442 5.872 1.673 2.530 1.00 55.04 H new ATOM 0 HG LEU A 442 6.841 -1.091 2.165 1.00 31.33 H new ATOM 0 HD11 LEU A 442 5.786 -1.355 -0.045 1.00 74.23 H new ATOM 0 HD12 LEU A 442 4.582 -1.352 1.265 1.00 74.23 H new ATOM 0 HD13 LEU A 442 4.802 0.097 0.256 1.00 74.23 H new ATOM 0 HD21 LEU A 442 7.878 -0.064 0.180 1.00 70.02 H new ATOM 0 HD22 LEU A 442 6.975 1.438 0.491 1.00 70.02 H new ATOM 0 HD23 LEU A 442 8.199 0.879 1.655 1.00 70.02 H new ATOM 445 N THR A 443 5.873 -1.961 4.685 1.00 22.22 N ATOM 446 CA THR A 443 5.199 -3.115 5.265 1.00 73.14 C ATOM 447 C THR A 443 5.660 -3.360 6.697 1.00 55.11 C ATOM 448 O THR A 443 5.116 -4.214 7.396 1.00 14.12 O ATOM 449 CB THR A 443 5.448 -4.388 4.433 1.00 43.23 C ATOM 450 OG1 THR A 443 6.855 -4.606 4.282 1.00 75.44 O ATOM 451 CG2 THR A 443 4.797 -4.274 3.063 1.00 65.04 C ATOM 0 H THR A 443 6.704 -2.189 4.139 1.00 22.22 H new ATOM 0 HA THR A 443 4.132 -2.891 5.263 1.00 73.14 H new ATOM 0 HB THR A 443 5.004 -5.233 4.959 1.00 43.23 H new ATOM 0 HG1 THR A 443 7.344 -4.040 4.916 1.00 75.44 H new ATOM 0 HG21 THR A 443 4.986 -5.184 2.493 1.00 65.04 H new ATOM 0 HG22 THR A 443 3.722 -4.137 3.181 1.00 65.04 H new ATOM 0 HG23 THR A 443 5.216 -3.420 2.531 1.00 65.04 H new ATOM 459 N SER A 444 6.665 -2.605 7.128 1.00 52.14 N ATOM 460 CA SER A 444 7.200 -2.742 8.476 1.00 30.51 C ATOM 461 C SER A 444 6.191 -2.261 9.514 1.00 12.03 C ATOM 462 O SER A 444 5.847 -2.988 10.447 1.00 1.40 O ATOM 463 CB SER A 444 8.504 -1.953 8.613 1.00 61.42 C ATOM 464 OG SER A 444 9.385 -2.579 9.529 1.00 22.23 O ATOM 0 H SER A 444 7.125 -1.892 6.562 1.00 52.14 H new ATOM 0 HA SER A 444 7.402 -3.798 8.653 1.00 30.51 H new ATOM 0 HB2 SER A 444 8.986 -1.870 7.639 1.00 61.42 H new ATOM 0 HB3 SER A 444 8.286 -0.939 8.949 1.00 61.42 H new ATOM 0 HG SER A 444 10.211 -2.056 9.597 1.00 22.23 H new ATOM 470 N LEU A 445 5.720 -1.030 9.345 1.00 22.40 N ATOM 471 CA LEU A 445 4.750 -0.449 10.266 1.00 53.15 C ATOM 472 C LEU A 445 3.562 -1.386 10.469 1.00 65.24 C ATOM 473 O LEU A 445 2.957 -1.415 11.540 1.00 11.33 O ATOM 474 CB LEU A 445 4.262 0.902 9.740 1.00 23.11 C ATOM 475 CG LEU A 445 4.776 2.136 10.482 1.00 72.50 C ATOM 476 CD1 LEU A 445 4.816 3.339 9.554 1.00 45.31 C ATOM 477 CD2 LEU A 445 3.909 2.426 11.699 1.00 40.13 C ATOM 0 H LEU A 445 5.994 -0.415 8.579 1.00 22.40 H new ATOM 0 HA LEU A 445 5.243 -0.302 11.227 1.00 53.15 H new ATOM 0 HB2 LEU A 445 4.550 0.987 8.692 1.00 23.11 H new ATOM 0 HB3 LEU A 445 3.173 0.910 9.773 1.00 23.11 H new ATOM 0 HG LEU A 445 5.791 1.934 10.824 1.00 72.50 H new ATOM 0 HD11 LEU A 445 5.184 4.208 10.100 1.00 45.31 H new ATOM 0 HD12 LEU A 445 5.480 3.129 8.715 1.00 45.31 H new ATOM 0 HD13 LEU A 445 3.813 3.544 9.181 1.00 45.31 H new ATOM 0 HD21 LEU A 445 4.289 3.307 12.215 1.00 40.13 H new ATOM 0 HD22 LEU A 445 2.883 2.607 11.380 1.00 40.13 H new ATOM 0 HD23 LEU A 445 3.933 1.571 12.375 1.00 40.13 H new ATOM 489 N LEU A 446 3.237 -2.153 9.433 1.00 5.44 N ATOM 490 CA LEU A 446 2.124 -3.094 9.497 1.00 2.52 C ATOM 491 C LEU A 446 2.577 -4.435 10.064 1.00 22.20 C ATOM 492 O LEU A 446 1.850 -5.077 10.822 1.00 21.13 O ATOM 493 CB LEU A 446 1.518 -3.293 8.108 1.00 62.14 C ATOM 494 CG LEU A 446 0.185 -2.589 7.849 1.00 13.43 C ATOM 495 CD1 LEU A 446 -0.314 -2.891 6.445 1.00 71.14 C ATOM 496 CD2 LEU A 446 -0.847 -3.007 8.885 1.00 13.44 C ATOM 0 H LEU A 446 3.728 -2.141 8.539 1.00 5.44 H new ATOM 0 HA LEU A 446 1.366 -2.677 10.160 1.00 2.52 H new ATOM 0 HB2 LEU A 446 2.238 -2.947 7.367 1.00 62.14 H new ATOM 0 HB3 LEU A 446 1.379 -4.362 7.944 1.00 62.14 H new ATOM 0 HG LEU A 446 0.341 -1.513 7.933 1.00 13.43 H new ATOM 0 HD11 LEU A 446 -1.263 -2.382 6.279 1.00 71.14 H new ATOM 0 HD12 LEU A 446 0.417 -2.542 5.716 1.00 71.14 H new ATOM 0 HD13 LEU A 446 -0.454 -3.966 6.332 1.00 71.14 H new ATOM 0 HD21 LEU A 446 -1.790 -2.497 8.686 1.00 13.44 H new ATOM 0 HD22 LEU A 446 -1.000 -4.085 8.832 1.00 13.44 H new ATOM 0 HD23 LEU A 446 -0.493 -2.739 9.880 1.00 13.44 H new ATOM 508 N SER A 447 3.783 -4.852 9.693 1.00 3.11 N ATOM 509 CA SER A 447 4.333 -6.118 10.163 1.00 70.12 C ATOM 510 C SER A 447 4.733 -6.024 11.633 1.00 50.33 C ATOM 511 O SER A 447 5.040 -7.032 12.268 1.00 63.44 O ATOM 512 CB SER A 447 5.544 -6.517 9.317 1.00 33.33 C ATOM 513 OG SER A 447 5.979 -7.827 9.638 1.00 61.44 O ATOM 0 H SER A 447 4.398 -4.331 9.068 1.00 3.11 H new ATOM 0 HA SER A 447 3.561 -6.881 10.063 1.00 70.12 H new ATOM 0 HB2 SER A 447 5.286 -6.465 8.259 1.00 33.33 H new ATOM 0 HB3 SER A 447 6.357 -5.810 9.482 1.00 33.33 H new ATOM 0 HG SER A 447 5.850 -7.989 10.596 1.00 61.44 H new ATOM 519 N GLU A 448 4.725 -4.807 12.165 1.00 12.34 N ATOM 520 CA GLU A 448 5.088 -4.580 13.559 1.00 34.43 C ATOM 521 C GLU A 448 4.223 -5.426 14.490 1.00 72.22 C ATOM 522 O GLU A 448 4.628 -5.751 15.606 1.00 63.50 O ATOM 523 CB GLU A 448 4.941 -3.100 13.914 1.00 45.00 C ATOM 524 CG GLU A 448 6.185 -2.277 13.621 1.00 34.01 C ATOM 525 CD GLU A 448 6.957 -1.920 14.875 1.00 31.33 C ATOM 526 OE1 GLU A 448 6.397 -1.205 15.733 1.00 61.23 O ATOM 527 OE2 GLU A 448 8.121 -2.354 15.001 1.00 24.43 O ATOM 0 H GLU A 448 4.471 -3.963 11.652 1.00 12.34 H new ATOM 0 HA GLU A 448 6.129 -4.875 13.689 1.00 34.43 H new ATOM 0 HB2 GLU A 448 4.101 -2.683 13.358 1.00 45.00 H new ATOM 0 HB3 GLU A 448 4.698 -3.011 14.973 1.00 45.00 H new ATOM 0 HG2 GLU A 448 6.834 -2.835 12.946 1.00 34.01 H new ATOM 0 HG3 GLU A 448 5.897 -1.362 13.103 1.00 34.01 H new ATOM 534 N GLN A 449 3.029 -5.778 14.022 1.00 60.23 N ATOM 535 CA GLN A 449 2.107 -6.584 14.813 1.00 74.23 C ATOM 536 C GLN A 449 1.932 -7.969 14.200 1.00 35.41 C ATOM 537 O GLN A 449 1.695 -8.948 14.908 1.00 3.15 O ATOM 538 CB GLN A 449 0.750 -5.886 14.919 1.00 10.15 C ATOM 539 CG GLN A 449 0.732 -4.493 14.310 1.00 74.32 C ATOM 540 CD GLN A 449 -0.539 -3.733 14.630 1.00 52.01 C ATOM 541 OE1 GLN A 449 -1.223 -4.027 15.612 1.00 64.01 O ATOM 542 NE2 GLN A 449 -0.865 -2.747 13.802 1.00 24.54 N ATOM 0 H GLN A 449 2.678 -5.518 13.100 1.00 60.23 H new ATOM 0 HA GLN A 449 2.529 -6.699 15.812 1.00 74.23 H new ATOM 0 HB2 GLN A 449 -0.004 -6.499 14.425 1.00 10.15 H new ATOM 0 HB3 GLN A 449 0.467 -5.818 15.969 1.00 10.15 H new ATOM 0 HG2 GLN A 449 1.590 -3.929 14.676 1.00 74.32 H new ATOM 0 HG3 GLN A 449 0.841 -4.572 13.228 1.00 74.32 H new ATOM 0 HE21 GLN A 449 -0.270 -2.537 13.000 1.00 24.54 H new ATOM 0 HE22 GLN A 449 -1.710 -2.200 13.968 1.00 24.54 H new ATOM 551 N GLY A 450 2.051 -8.046 12.878 1.00 24.33 N ATOM 552 CA GLY A 450 1.903 -9.317 12.192 1.00 12.42 C ATOM 553 C GLY A 450 1.269 -9.166 10.823 1.00 41.03 C ATOM 554 O GLY A 450 1.259 -10.108 10.029 1.00 22.14 O ATOM 0 H GLY A 450 2.247 -7.251 12.270 1.00 24.33 H new ATOM 0 HA2 GLY A 450 2.881 -9.786 12.086 1.00 12.42 H new ATOM 0 HA3 GLY A 450 1.293 -9.986 12.800 1.00 12.42 H new ATOM 558 N ILE A 451 0.738 -7.980 10.546 1.00 62.50 N ATOM 559 CA ILE A 451 0.099 -7.710 9.264 1.00 20.20 C ATOM 560 C ILE A 451 1.072 -7.927 8.109 1.00 53.12 C ATOM 561 O ILE A 451 2.283 -7.778 8.268 1.00 65.03 O ATOM 562 CB ILE A 451 -0.446 -6.271 9.198 1.00 72.44 C ATOM 563 CG1 ILE A 451 -1.262 -5.955 10.452 1.00 14.23 C ATOM 564 CG2 ILE A 451 -1.292 -6.082 7.948 1.00 63.52 C ATOM 565 CD1 ILE A 451 -2.380 -6.942 10.712 1.00 23.42 C ATOM 0 H ILE A 451 0.738 -7.191 11.192 1.00 62.50 H new ATOM 0 HA ILE A 451 -0.733 -8.409 9.172 1.00 20.20 H new ATOM 0 HB ILE A 451 0.396 -5.581 9.151 1.00 72.44 H new ATOM 0 HG12 ILE A 451 -0.596 -5.938 11.314 1.00 14.23 H new ATOM 0 HG13 ILE A 451 -1.686 -4.955 10.357 1.00 14.23 H new ATOM 0 HG21 ILE A 451 -1.670 -5.060 7.916 1.00 63.52 H new ATOM 0 HG22 ILE A 451 -0.683 -6.272 7.064 1.00 63.52 H new ATOM 0 HG23 ILE A 451 -2.130 -6.778 7.967 1.00 63.52 H new ATOM 0 HD11 ILE A 451 -2.916 -6.655 11.617 1.00 23.42 H new ATOM 0 HD12 ILE A 451 -3.069 -6.942 9.867 1.00 23.42 H new ATOM 0 HD13 ILE A 451 -1.962 -7.940 10.839 1.00 23.42 H new ATOM 577 N MET A 452 0.532 -8.277 6.946 1.00 32.25 N ATOM 578 CA MET A 452 1.352 -8.511 5.763 1.00 22.32 C ATOM 579 C MET A 452 0.518 -8.393 4.492 1.00 52.43 C ATOM 580 O MET A 452 0.192 -9.395 3.854 1.00 21.44 O ATOM 581 CB MET A 452 2.003 -9.894 5.833 1.00 32.12 C ATOM 582 CG MET A 452 1.019 -11.015 6.127 1.00 71.44 C ATOM 583 SD MET A 452 1.253 -12.443 5.051 1.00 53.32 S ATOM 584 CE MET A 452 0.024 -13.568 5.711 1.00 31.23 C ATOM 0 H MET A 452 -0.469 -8.405 6.798 1.00 32.25 H new ATOM 0 HA MET A 452 2.133 -7.751 5.736 1.00 22.32 H new ATOM 0 HB2 MET A 452 2.503 -10.099 4.886 1.00 32.12 H new ATOM 0 HB3 MET A 452 2.773 -9.886 6.605 1.00 32.12 H new ATOM 0 HG2 MET A 452 1.128 -11.326 7.166 1.00 71.44 H new ATOM 0 HG3 MET A 452 0.002 -10.640 6.011 1.00 71.44 H new ATOM 0 HE1 MET A 452 0.045 -14.501 5.148 1.00 31.23 H new ATOM 0 HE2 MET A 452 0.243 -13.771 6.759 1.00 31.23 H new ATOM 0 HE3 MET A 452 -0.965 -13.117 5.628 1.00 31.23 H new ATOM 594 N VAL A 453 0.174 -7.162 4.127 1.00 41.13 N ATOM 595 CA VAL A 453 -0.621 -6.912 2.931 1.00 33.03 C ATOM 596 C VAL A 453 0.068 -5.909 2.011 1.00 33.05 C ATOM 597 O VAL A 453 0.124 -6.102 0.798 1.00 15.22 O ATOM 598 CB VAL A 453 -2.024 -6.385 3.289 1.00 25.24 C ATOM 599 CG1 VAL A 453 -2.982 -7.540 3.534 1.00 1.41 C ATOM 600 CG2 VAL A 453 -1.954 -5.472 4.504 1.00 12.53 C ATOM 0 H VAL A 453 0.434 -6.322 4.643 1.00 41.13 H new ATOM 0 HA VAL A 453 -0.721 -7.866 2.413 1.00 33.03 H new ATOM 0 HB VAL A 453 -2.402 -5.805 2.447 1.00 25.24 H new ATOM 0 HG11 VAL A 453 -3.968 -7.148 3.786 1.00 1.41 H new ATOM 0 HG12 VAL A 453 -3.053 -8.151 2.634 1.00 1.41 H new ATOM 0 HG13 VAL A 453 -2.613 -8.150 4.358 1.00 1.41 H new ATOM 0 HG21 VAL A 453 -2.953 -5.108 4.744 1.00 12.53 H new ATOM 0 HG22 VAL A 453 -1.556 -6.027 5.354 1.00 12.53 H new ATOM 0 HG23 VAL A 453 -1.302 -4.626 4.286 1.00 12.53 H new ATOM 610 N ALA A 454 0.591 -4.839 2.600 1.00 42.43 N ATOM 611 CA ALA A 454 1.278 -3.807 1.834 1.00 24.14 C ATOM 612 C ALA A 454 2.335 -4.415 0.918 1.00 24.01 C ATOM 613 O ALA A 454 2.792 -3.774 -0.029 1.00 54.35 O ATOM 614 CB ALA A 454 1.912 -2.788 2.771 1.00 53.34 C ATOM 0 H ALA A 454 0.552 -4.664 3.604 1.00 42.43 H new ATOM 0 HA ALA A 454 0.541 -3.302 1.210 1.00 24.14 H new ATOM 0 HB1 ALA A 454 2.422 -2.023 2.185 1.00 53.34 H new ATOM 0 HB2 ALA A 454 1.137 -2.322 3.380 1.00 53.34 H new ATOM 0 HB3 ALA A 454 2.632 -3.288 3.419 1.00 53.34 H new ATOM 620 N ARG A 455 2.720 -5.653 1.207 1.00 33.33 N ATOM 621 CA ARG A 455 3.724 -6.347 0.410 1.00 23.24 C ATOM 622 C ARG A 455 3.090 -7.005 -0.812 1.00 32.14 C ATOM 623 O ARG A 455 3.527 -6.791 -1.942 1.00 33.45 O ATOM 624 CB ARG A 455 4.440 -7.400 1.257 1.00 73.54 C ATOM 625 CG ARG A 455 5.665 -7.995 0.582 1.00 21.33 C ATOM 626 CD ARG A 455 5.778 -9.488 0.848 1.00 43.24 C ATOM 627 NE ARG A 455 6.460 -9.770 2.108 1.00 14.41 N ATOM 628 CZ ARG A 455 6.715 -10.997 2.547 1.00 32.20 C ATOM 629 NH1 ARG A 455 6.349 -12.051 1.831 1.00 40.32 N ATOM 630 NH2 ARG A 455 7.340 -11.173 3.704 1.00 2.23 N ATOM 0 H ARG A 455 2.352 -6.197 1.988 1.00 33.33 H new ATOM 0 HA ARG A 455 4.451 -5.611 0.067 1.00 23.24 H new ATOM 0 HB2 ARG A 455 4.740 -6.950 2.204 1.00 73.54 H new ATOM 0 HB3 ARG A 455 3.740 -8.202 1.493 1.00 73.54 H new ATOM 0 HG2 ARG A 455 5.611 -7.819 -0.492 1.00 21.33 H new ATOM 0 HG3 ARG A 455 6.562 -7.491 0.943 1.00 21.33 H new ATOM 0 HD2 ARG A 455 4.781 -9.929 0.869 1.00 43.24 H new ATOM 0 HD3 ARG A 455 6.319 -9.962 0.029 1.00 43.24 H new ATOM 0 HE ARG A 455 6.757 -8.981 2.682 1.00 14.41 H new ATOM 0 HH11 ARG A 455 5.870 -11.921 0.940 1.00 40.32 H new ATOM 0 HH12 ARG A 455 6.546 -12.992 2.171 1.00 40.32 H new ATOM 0 HH21 ARG A 455 7.625 -10.365 4.258 1.00 2.23 H new ATOM 0 HH22 ARG A 455 7.535 -12.116 4.040 1.00 2.23 H new ATOM 644 N ARG A 456 2.056 -7.807 -0.574 1.00 71.44 N ATOM 645 CA ARG A 456 1.363 -8.498 -1.655 1.00 21.52 C ATOM 646 C ARG A 456 0.266 -7.619 -2.247 1.00 51.31 C ATOM 647 O ARG A 456 0.297 -7.281 -3.431 1.00 43.11 O ATOM 648 CB ARG A 456 0.761 -9.810 -1.146 1.00 1.44 C ATOM 649 CG ARG A 456 0.405 -10.787 -2.254 1.00 44.24 C ATOM 650 CD ARG A 456 -0.957 -10.476 -2.855 1.00 41.31 C ATOM 651 NE ARG A 456 -1.520 -11.626 -3.559 1.00 4.25 N ATOM 652 CZ ARG A 456 -2.108 -12.647 -2.947 1.00 10.30 C ATOM 653 NH1 ARG A 456 -2.211 -12.662 -1.626 1.00 12.53 N ATOM 654 NH2 ARG A 456 -2.596 -13.656 -3.657 1.00 72.04 N ATOM 0 H ARG A 456 1.681 -7.994 0.356 1.00 71.44 H new ATOM 0 HA ARG A 456 2.090 -8.718 -2.437 1.00 21.52 H new ATOM 0 HB2 ARG A 456 1.469 -10.286 -0.467 1.00 1.44 H new ATOM 0 HB3 ARG A 456 -0.135 -9.588 -0.567 1.00 1.44 H new ATOM 0 HG2 ARG A 456 1.166 -10.747 -3.034 1.00 44.24 H new ATOM 0 HG3 ARG A 456 0.406 -11.803 -1.859 1.00 44.24 H new ATOM 0 HD2 ARG A 456 -1.640 -10.165 -2.064 1.00 41.31 H new ATOM 0 HD3 ARG A 456 -0.866 -9.637 -3.545 1.00 41.31 H new ATOM 0 HE ARG A 456 -1.458 -11.645 -4.577 1.00 4.25 H new ATOM 0 HH11 ARG A 456 -1.838 -11.888 -1.077 1.00 12.53 H new ATOM 0 HH12 ARG A 456 -2.663 -13.448 -1.159 1.00 12.53 H new ATOM 0 HH21 ARG A 456 -2.520 -13.648 -4.674 1.00 72.04 H new ATOM 0 HH22 ARG A 456 -3.048 -14.440 -3.186 1.00 72.04 H new ATOM 668 N THR A 457 -0.704 -7.250 -1.416 1.00 74.45 N ATOM 669 CA THR A 457 -1.811 -6.413 -1.858 1.00 10.45 C ATOM 670 C THR A 457 -1.324 -5.292 -2.770 1.00 35.35 C ATOM 671 O THR A 457 -1.738 -5.196 -3.925 1.00 5.34 O ATOM 672 CB THR A 457 -2.560 -5.795 -0.661 1.00 32.22 C ATOM 673 OG1 THR A 457 -1.722 -4.842 0.002 1.00 32.22 O ATOM 674 CG2 THR A 457 -2.990 -6.873 0.323 1.00 44.00 C ATOM 0 H THR A 457 -0.745 -7.518 -0.433 1.00 74.45 H new ATOM 0 HA THR A 457 -2.493 -7.058 -2.412 1.00 10.45 H new ATOM 0 HB THR A 457 -3.451 -5.293 -1.038 1.00 32.22 H new ATOM 0 HG1 THR A 457 -0.814 -5.202 0.078 1.00 32.22 H new ATOM 0 HG21 THR A 457 -3.517 -6.413 1.159 1.00 44.00 H new ATOM 0 HG22 THR A 457 -3.652 -7.580 -0.178 1.00 44.00 H new ATOM 0 HG23 THR A 457 -2.110 -7.399 0.693 1.00 44.00 H new ATOM 682 N VAL A 458 -0.441 -4.449 -2.244 1.00 31.43 N ATOM 683 CA VAL A 458 0.105 -3.337 -3.011 1.00 41.53 C ATOM 684 C VAL A 458 0.596 -3.801 -4.379 1.00 33.24 C ATOM 685 O VAL A 458 0.365 -3.139 -5.390 1.00 21.03 O ATOM 686 CB VAL A 458 1.267 -2.656 -2.265 1.00 50.42 C ATOM 687 CG1 VAL A 458 1.965 -1.649 -3.167 1.00 74.44 C ATOM 688 CG2 VAL A 458 0.764 -1.987 -0.995 1.00 21.24 C ATOM 0 H VAL A 458 -0.089 -4.516 -1.289 1.00 31.43 H new ATOM 0 HA VAL A 458 -0.703 -2.617 -3.143 1.00 41.53 H new ATOM 0 HB VAL A 458 1.993 -3.419 -1.984 1.00 50.42 H new ATOM 0 HG11 VAL A 458 2.783 -1.178 -2.622 1.00 74.44 H new ATOM 0 HG12 VAL A 458 2.360 -2.160 -4.045 1.00 74.44 H new ATOM 0 HG13 VAL A 458 1.252 -0.887 -3.481 1.00 74.44 H new ATOM 0 HG21 VAL A 458 1.598 -1.511 -0.480 1.00 21.24 H new ATOM 0 HG22 VAL A 458 0.018 -1.235 -1.251 1.00 21.24 H new ATOM 0 HG23 VAL A 458 0.315 -2.736 -0.343 1.00 21.24 H new ATOM 698 N ALA A 459 1.274 -4.944 -4.401 1.00 12.15 N ATOM 699 CA ALA A 459 1.796 -5.498 -5.643 1.00 53.22 C ATOM 700 C ALA A 459 0.710 -5.567 -6.713 1.00 0.15 C ATOM 701 O ALA A 459 0.974 -5.349 -7.895 1.00 44.22 O ATOM 702 CB ALA A 459 2.385 -6.879 -5.398 1.00 31.42 C ATOM 0 H ALA A 459 1.474 -5.504 -3.572 1.00 12.15 H new ATOM 0 HA ALA A 459 2.584 -4.837 -6.004 1.00 53.22 H new ATOM 0 HB1 ALA A 459 2.771 -7.281 -6.335 1.00 31.42 H new ATOM 0 HB2 ALA A 459 3.195 -6.805 -4.673 1.00 31.42 H new ATOM 0 HB3 ALA A 459 1.611 -7.541 -5.011 1.00 31.42 H new ATOM 708 N LYS A 460 -0.511 -5.872 -6.289 1.00 55.14 N ATOM 709 CA LYS A 460 -1.638 -5.969 -7.210 1.00 54.31 C ATOM 710 C LYS A 460 -2.048 -4.589 -7.717 1.00 34.25 C ATOM 711 O LYS A 460 -2.497 -4.443 -8.853 1.00 35.02 O ATOM 712 CB LYS A 460 -2.827 -6.646 -6.523 1.00 3.20 C ATOM 713 CG LYS A 460 -3.127 -8.035 -7.058 1.00 14.13 C ATOM 714 CD LYS A 460 -3.730 -7.979 -8.451 1.00 60.24 C ATOM 715 CE LYS A 460 -3.832 -9.365 -9.070 1.00 14.51 C ATOM 716 NZ LYS A 460 -5.048 -10.090 -8.609 1.00 54.31 N ATOM 0 H LYS A 460 -0.746 -6.056 -5.314 1.00 55.14 H new ATOM 0 HA LYS A 460 -1.327 -6.572 -8.063 1.00 54.31 H new ATOM 0 HB2 LYS A 460 -2.628 -6.713 -5.453 1.00 3.20 H new ATOM 0 HB3 LYS A 460 -3.711 -6.020 -6.645 1.00 3.20 H new ATOM 0 HG2 LYS A 460 -2.209 -8.623 -7.081 1.00 14.13 H new ATOM 0 HG3 LYS A 460 -3.815 -8.545 -6.383 1.00 14.13 H new ATOM 0 HD2 LYS A 460 -4.721 -7.527 -8.402 1.00 60.24 H new ATOM 0 HD3 LYS A 460 -3.119 -7.339 -9.088 1.00 60.24 H new ATOM 0 HE2 LYS A 460 -3.852 -9.277 -10.156 1.00 14.51 H new ATOM 0 HE3 LYS A 460 -2.945 -9.944 -8.813 1.00 14.51 H new ATOM 0 HZ1 LYS A 460 -5.081 -11.030 -9.053 1.00 54.31 H new ATOM 0 HZ2 LYS A 460 -5.017 -10.197 -7.575 1.00 54.31 H new ATOM 0 HZ3 LYS A 460 -5.896 -9.551 -8.877 1.00 54.31 H new ATOM 730 N TYR A 461 -1.888 -3.581 -6.867 1.00 11.05 N ATOM 731 CA TYR A 461 -2.242 -2.214 -7.227 1.00 63.24 C ATOM 732 C TYR A 461 -1.133 -1.563 -8.051 1.00 33.33 C ATOM 733 O TYR A 461 -1.383 -0.648 -8.835 1.00 10.45 O ATOM 734 CB TYR A 461 -2.512 -1.385 -5.970 1.00 61.53 C ATOM 735 CG TYR A 461 -3.701 -1.868 -5.171 1.00 22.41 C ATOM 736 CD1 TYR A 461 -4.990 -1.470 -5.499 1.00 14.53 C ATOM 737 CD2 TYR A 461 -3.534 -2.722 -4.088 1.00 1.33 C ATOM 738 CE1 TYR A 461 -6.080 -1.908 -4.771 1.00 32.04 C ATOM 739 CE2 TYR A 461 -4.618 -3.166 -3.355 1.00 5.14 C ATOM 740 CZ TYR A 461 -5.888 -2.757 -3.700 1.00 11.50 C ATOM 741 OH TYR A 461 -6.971 -3.196 -2.972 1.00 22.34 O ATOM 0 H TYR A 461 -1.515 -3.685 -5.923 1.00 11.05 H new ATOM 0 HA TYR A 461 -3.148 -2.248 -7.832 1.00 63.24 H new ATOM 0 HB2 TYR A 461 -1.626 -1.404 -5.335 1.00 61.53 H new ATOM 0 HB3 TYR A 461 -2.676 -0.347 -6.258 1.00 61.53 H new ATOM 0 HD1 TYR A 461 -5.144 -0.807 -6.337 1.00 14.53 H new ATOM 0 HD2 TYR A 461 -2.540 -3.044 -3.814 1.00 1.33 H new ATOM 0 HE1 TYR A 461 -7.076 -1.588 -5.039 1.00 32.04 H new ATOM 0 HE2 TYR A 461 -4.471 -3.830 -2.516 1.00 5.14 H new ATOM 0 HH TYR A 461 -6.664 -3.787 -2.253 1.00 22.34 H new ATOM 751 N ARG A 462 0.091 -2.045 -7.866 1.00 23.15 N ATOM 752 CA ARG A 462 1.239 -1.511 -8.590 1.00 61.30 C ATOM 753 C ARG A 462 0.971 -1.489 -10.092 1.00 24.33 C ATOM 754 O ARG A 462 1.244 -0.495 -10.764 1.00 42.22 O ATOM 755 CB ARG A 462 2.487 -2.346 -8.296 1.00 5.22 C ATOM 756 CG ARG A 462 3.677 -1.990 -9.171 1.00 62.15 C ATOM 757 CD ARG A 462 4.938 -2.709 -8.717 1.00 13.12 C ATOM 758 NE ARG A 462 5.370 -3.720 -9.679 1.00 5.20 N ATOM 759 CZ ARG A 462 6.449 -4.477 -9.516 1.00 42.11 C ATOM 760 NH1 ARG A 462 7.200 -4.340 -8.432 1.00 62.42 N ATOM 761 NH2 ARG A 462 6.776 -5.374 -10.436 1.00 22.51 N ATOM 0 H ARG A 462 0.314 -2.804 -7.222 1.00 23.15 H new ATOM 0 HA ARG A 462 1.407 -0.488 -8.253 1.00 61.30 H new ATOM 0 HB2 ARG A 462 2.764 -2.215 -7.250 1.00 5.22 H new ATOM 0 HB3 ARG A 462 2.249 -3.401 -8.433 1.00 5.22 H new ATOM 0 HG2 ARG A 462 3.460 -2.253 -10.206 1.00 62.15 H new ATOM 0 HG3 ARG A 462 3.841 -0.913 -9.143 1.00 62.15 H new ATOM 0 HD2 ARG A 462 5.737 -1.982 -8.572 1.00 13.12 H new ATOM 0 HD3 ARG A 462 4.758 -3.181 -7.751 1.00 13.12 H new ATOM 0 HE ARG A 462 4.812 -3.852 -10.523 1.00 5.20 H new ATOM 0 HH11 ARG A 462 6.949 -3.652 -7.722 1.00 62.42 H new ATOM 0 HH12 ARG A 462 8.028 -4.922 -8.309 1.00 62.42 H new ATOM 0 HH21 ARG A 462 6.199 -5.483 -11.270 1.00 22.51 H new ATOM 0 HH22 ARG A 462 7.605 -5.955 -10.310 1.00 22.51 H new ATOM 775 N GLU A 463 0.438 -2.591 -10.610 1.00 12.43 N ATOM 776 CA GLU A 463 0.136 -2.696 -12.032 1.00 52.45 C ATOM 777 C GLU A 463 -0.707 -1.513 -12.499 1.00 1.33 C ATOM 778 O GLU A 463 -0.616 -1.087 -13.650 1.00 73.00 O ATOM 779 CB GLU A 463 -0.599 -4.006 -12.325 1.00 13.21 C ATOM 780 CG GLU A 463 0.254 -5.244 -12.105 1.00 71.12 C ATOM 781 CD GLU A 463 -0.409 -6.508 -12.619 1.00 30.12 C ATOM 782 OE1 GLU A 463 -1.260 -6.404 -13.526 1.00 44.32 O ATOM 783 OE2 GLU A 463 -0.078 -7.600 -12.112 1.00 62.20 O ATOM 0 H GLU A 463 0.207 -3.423 -10.067 1.00 12.43 H new ATOM 0 HA GLU A 463 1.079 -2.686 -12.578 1.00 52.45 H new ATOM 0 HB2 GLU A 463 -1.483 -4.067 -11.690 1.00 13.21 H new ATOM 0 HB3 GLU A 463 -0.948 -3.994 -13.358 1.00 13.21 H new ATOM 0 HG2 GLU A 463 1.214 -5.113 -12.604 1.00 71.12 H new ATOM 0 HG3 GLU A 463 0.461 -5.354 -11.040 1.00 71.12 H new ATOM 790 N SER A 464 -1.528 -0.986 -11.596 1.00 14.23 N ATOM 791 CA SER A 464 -2.391 0.145 -11.915 1.00 20.11 C ATOM 792 C SER A 464 -2.242 1.253 -10.876 1.00 30.25 C ATOM 793 O SER A 464 -3.230 1.751 -10.336 1.00 52.33 O ATOM 794 CB SER A 464 -3.851 -0.305 -11.991 1.00 2.44 C ATOM 795 OG SER A 464 -4.605 0.546 -12.837 1.00 42.00 O ATOM 0 H SER A 464 -1.614 -1.324 -10.638 1.00 14.23 H new ATOM 0 HA SER A 464 -2.088 0.538 -12.886 1.00 20.11 H new ATOM 0 HB2 SER A 464 -3.900 -1.328 -12.363 1.00 2.44 H new ATOM 0 HB3 SER A 464 -4.286 -0.308 -10.992 1.00 2.44 H new ATOM 0 HG SER A 464 -5.534 0.236 -12.869 1.00 42.00 H new ATOM 801 N LEU A 465 -0.999 1.632 -10.600 1.00 34.00 N ATOM 802 CA LEU A 465 -0.718 2.681 -9.625 1.00 74.15 C ATOM 803 C LEU A 465 -1.527 3.938 -9.929 1.00 34.03 C ATOM 804 O LEU A 465 -2.198 4.482 -9.052 1.00 43.43 O ATOM 805 CB LEU A 465 0.776 3.010 -9.618 1.00 3.52 C ATOM 806 CG LEU A 465 1.433 3.172 -10.989 1.00 24.44 C ATOM 807 CD1 LEU A 465 1.807 4.626 -11.234 1.00 21.44 C ATOM 808 CD2 LEU A 465 2.660 2.278 -11.101 1.00 12.30 C ATOM 0 H LEU A 465 -0.170 1.229 -11.037 1.00 34.00 H new ATOM 0 HA LEU A 465 -1.008 2.315 -8.640 1.00 74.15 H new ATOM 0 HB2 LEU A 465 0.922 3.932 -9.056 1.00 3.52 H new ATOM 0 HB3 LEU A 465 1.299 2.221 -9.077 1.00 3.52 H new ATOM 0 HG LEU A 465 0.716 2.869 -11.752 1.00 24.44 H new ATOM 0 HD11 LEU A 465 2.273 4.721 -12.215 1.00 21.44 H new ATOM 0 HD12 LEU A 465 0.910 5.244 -11.197 1.00 21.44 H new ATOM 0 HD13 LEU A 465 2.506 4.956 -10.466 1.00 21.44 H new ATOM 0 HD21 LEU A 465 3.115 2.406 -12.083 1.00 12.30 H new ATOM 0 HD22 LEU A 465 3.380 2.550 -10.329 1.00 12.30 H new ATOM 0 HD23 LEU A 465 2.365 1.237 -10.971 1.00 12.30 H new