USER MOD reduce.3.24.130724 H: found=0, std=0, add=426, rem=0, adj=12 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 Set 1.1: A 417 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 418 THR OG1 : rot 180:sc= 0 USER MOD Single : A 416 SER OG : rot 180:sc= 0.0285 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= -0.134 X(o=-0.13,f=0) 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= 0.0308 USER MOD Single : A 441 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 THR OG1 : rot -25:sc= 0.0894 USER MOD Single : A 444 SER OG : rot 180:sc= 0 USER MOD Single : A 447 SER OG : rot 180:sc= 0 USER MOD Single : A 449 GLN : amide:sc= 0 X(o=0,f=-0.0033) USER MOD Single : A 452 MET CE :methyl -121:sc= -0.562 (180deg=-2.43!) USER MOD Single : A 457 THR OG1 : rot 81:sc= 0.275 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 53:sc= 0.738 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 414 -18.769 0.610 -6.990 1.00 34.51 N ATOM 2 CA GLU A 414 -17.357 0.501 -6.641 1.00 34.31 C ATOM 3 C GLU A 414 -16.760 1.875 -6.353 1.00 54.33 C ATOM 4 O GLU A 414 -15.761 2.268 -6.952 1.00 64.43 O ATOM 5 CB GLU A 414 -16.581 -0.178 -7.772 1.00 44.10 C ATOM 6 CG GLU A 414 -17.082 -1.574 -8.102 1.00 24.14 C ATOM 7 CD GLU A 414 -16.265 -2.245 -9.189 1.00 25.02 C ATOM 8 OE1 GLU A 414 -15.648 -1.523 -10.000 1.00 5.34 O ATOM 9 OE2 GLU A 414 -16.241 -3.493 -9.229 1.00 12.41 O ATOM 0 HA GLU A 414 -17.277 -0.106 -5.739 1.00 34.31 H new ATOM 0 HB2 GLU A 414 -16.643 0.442 -8.667 1.00 44.10 H new ATOM 0 HB3 GLU A 414 -15.528 -0.235 -7.496 1.00 44.10 H new ATOM 0 HG2 GLU A 414 -17.056 -2.188 -7.202 1.00 24.14 H new ATOM 0 HG3 GLU A 414 -18.124 -1.517 -8.418 1.00 24.14 H new ATOM 16 N ALA A 415 -17.382 2.602 -5.429 1.00 61.43 N ATOM 17 CA ALA A 415 -16.913 3.931 -5.060 1.00 14.30 C ATOM 18 C ALA A 415 -15.704 3.849 -4.134 1.00 63.20 C ATOM 19 O ALA A 415 -15.101 4.866 -3.793 1.00 50.40 O ATOM 20 CB ALA A 415 -18.033 4.721 -4.400 1.00 52.33 C ATOM 0 H ALA A 415 -18.212 2.292 -4.923 1.00 61.43 H new ATOM 0 HA ALA A 415 -16.606 4.447 -5.970 1.00 14.30 H new ATOM 0 HB1 ALA A 415 -17.669 5.712 -4.129 1.00 52.33 H new ATOM 0 HB2 ALA A 415 -18.868 4.818 -5.094 1.00 52.33 H new ATOM 0 HB3 ALA A 415 -18.366 4.200 -3.503 1.00 52.33 H new ATOM 26 N SER A 416 -15.356 2.631 -3.731 1.00 1.34 N ATOM 27 CA SER A 416 -14.221 2.416 -2.840 1.00 44.23 C ATOM 28 C SER A 416 -12.912 2.391 -3.623 1.00 72.55 C ATOM 29 O SER A 416 -11.838 2.624 -3.068 1.00 55.35 O ATOM 30 CB SER A 416 -14.392 1.107 -2.068 1.00 63.11 C ATOM 31 OG SER A 416 -15.737 0.661 -2.111 1.00 42.13 O ATOM 0 H SER A 416 -15.843 1.778 -4.007 1.00 1.34 H new ATOM 0 HA SER A 416 -14.185 3.244 -2.132 1.00 44.23 H new ATOM 0 HB2 SER A 416 -13.739 0.344 -2.491 1.00 63.11 H new ATOM 0 HB3 SER A 416 -14.086 1.250 -1.032 1.00 63.11 H new ATOM 0 HG SER A 416 -15.819 -0.178 -1.612 1.00 42.13 H new ATOM 37 N SER A 417 -13.011 2.106 -4.918 1.00 64.51 N ATOM 38 CA SER A 417 -11.835 2.046 -5.779 1.00 34.44 C ATOM 39 C SER A 417 -11.059 3.358 -5.730 1.00 63.41 C ATOM 40 O SER A 417 -9.831 3.371 -5.838 1.00 54.44 O ATOM 41 CB SER A 417 -12.248 1.736 -7.219 1.00 63.24 C ATOM 42 OG SER A 417 -12.563 2.924 -7.925 1.00 63.04 O ATOM 0 H SER A 417 -13.893 1.913 -5.394 1.00 64.51 H new ATOM 0 HA SER A 417 -11.187 1.248 -5.415 1.00 34.44 H new ATOM 0 HB2 SER A 417 -11.440 1.210 -7.727 1.00 63.24 H new ATOM 0 HB3 SER A 417 -13.111 1.070 -7.218 1.00 63.24 H new ATOM 0 HG SER A 417 -12.822 2.700 -8.843 1.00 63.04 H new ATOM 48 N THR A 418 -11.782 4.461 -5.567 1.00 55.12 N ATOM 49 CA THR A 418 -11.163 5.779 -5.505 1.00 11.10 C ATOM 50 C THR A 418 -10.578 6.047 -4.124 1.00 55.30 C ATOM 51 O THR A 418 -9.634 6.823 -3.979 1.00 21.13 O ATOM 52 CB THR A 418 -12.174 6.891 -5.848 1.00 21.04 C ATOM 53 OG1 THR A 418 -13.004 6.479 -6.939 1.00 31.24 O ATOM 54 CG2 THR A 418 -11.456 8.182 -6.209 1.00 25.21 C ATOM 0 H THR A 418 -12.798 4.468 -5.475 1.00 55.12 H new ATOM 0 HA THR A 418 -10.361 5.787 -6.243 1.00 11.10 H new ATOM 0 HB THR A 418 -12.794 7.072 -4.970 1.00 21.04 H new ATOM 0 HG1 THR A 418 -13.645 7.190 -7.149 1.00 31.24 H new ATOM 0 HG21 THR A 418 -12.190 8.952 -6.447 1.00 25.21 H new ATOM 0 HG22 THR A 418 -10.848 8.509 -5.365 1.00 25.21 H new ATOM 0 HG23 THR A 418 -10.815 8.012 -7.074 1.00 25.21 H new ATOM 62 N ALA A 419 -11.146 5.401 -3.110 1.00 55.13 N ATOM 63 CA ALA A 419 -10.678 5.568 -1.740 1.00 53.24 C ATOM 64 C ALA A 419 -9.306 4.932 -1.546 1.00 33.02 C ATOM 65 O ALA A 419 -8.532 5.356 -0.689 1.00 4.14 O ATOM 66 CB ALA A 419 -11.681 4.972 -0.764 1.00 14.14 C ATOM 0 H ALA A 419 -11.931 4.757 -3.212 1.00 55.13 H new ATOM 0 HA ALA A 419 -10.585 6.636 -1.542 1.00 53.24 H new ATOM 0 HB1 ALA A 419 -11.319 5.104 0.256 1.00 14.14 H new ATOM 0 HB2 ALA A 419 -12.641 5.476 -0.876 1.00 14.14 H new ATOM 0 HB3 ALA A 419 -11.803 3.909 -0.971 1.00 14.14 H new ATOM 72 N ILE A 420 -9.014 3.913 -2.347 1.00 63.13 N ATOM 73 CA ILE A 420 -7.735 3.220 -2.263 1.00 22.42 C ATOM 74 C ILE A 420 -6.611 4.065 -2.854 1.00 71.22 C ATOM 75 O ILE A 420 -5.436 3.845 -2.561 1.00 63.42 O ATOM 76 CB ILE A 420 -7.780 1.864 -2.994 1.00 51.33 C ATOM 77 CG1 ILE A 420 -8.931 1.011 -2.458 1.00 21.24 C ATOM 78 CG2 ILE A 420 -6.454 1.135 -2.839 1.00 70.43 C ATOM 79 CD1 ILE A 420 -8.852 0.756 -0.969 1.00 3.04 C ATOM 0 H ILE A 420 -9.645 3.549 -3.061 1.00 63.13 H new ATOM 0 HA ILE A 420 -7.539 3.048 -1.205 1.00 22.42 H new ATOM 0 HB ILE A 420 -7.950 2.044 -4.056 1.00 51.33 H new ATOM 0 HG12 ILE A 420 -9.875 1.506 -2.684 1.00 21.24 H new ATOM 0 HG13 ILE A 420 -8.939 0.055 -2.982 1.00 21.24 H new ATOM 0 HG21 ILE A 420 -6.501 0.179 -3.361 1.00 70.43 H new ATOM 0 HG22 ILE A 420 -5.654 1.741 -3.264 1.00 70.43 H new ATOM 0 HG23 ILE A 420 -6.255 0.962 -1.781 1.00 70.43 H new ATOM 0 HD11 ILE A 420 -9.700 0.145 -0.659 1.00 3.04 H new ATOM 0 HD12 ILE A 420 -7.924 0.233 -0.738 1.00 3.04 H new ATOM 0 HD13 ILE A 420 -8.875 1.706 -0.435 1.00 3.04 H new ATOM 91 N ARG A 421 -6.981 5.033 -3.685 1.00 1.32 N ATOM 92 CA ARG A 421 -6.004 5.912 -4.316 1.00 44.40 C ATOM 93 C ARG A 421 -5.069 6.522 -3.276 1.00 43.34 C ATOM 94 O ARG A 421 -3.875 6.691 -3.522 1.00 30.00 O ATOM 95 CB ARG A 421 -6.713 7.024 -5.093 1.00 73.40 C ATOM 96 CG ARG A 421 -5.779 7.854 -5.958 1.00 2.20 C ATOM 97 CD ARG A 421 -5.985 7.565 -7.437 1.00 23.21 C ATOM 98 NE ARG A 421 -5.040 8.300 -8.275 1.00 12.43 N ATOM 99 CZ ARG A 421 -5.196 9.575 -8.613 1.00 21.12 C ATOM 100 NH1 ARG A 421 -6.253 10.253 -8.186 1.00 5.11 N ATOM 101 NH2 ARG A 421 -4.294 10.175 -9.378 1.00 25.54 N ATOM 0 H ARG A 421 -7.950 5.229 -3.937 1.00 1.32 H new ATOM 0 HA ARG A 421 -5.410 5.315 -5.008 1.00 44.40 H new ATOM 0 HB2 ARG A 421 -7.482 6.580 -5.726 1.00 73.40 H new ATOM 0 HB3 ARG A 421 -7.221 7.681 -4.387 1.00 73.40 H new ATOM 0 HG2 ARG A 421 -5.949 8.913 -5.766 1.00 2.20 H new ATOM 0 HG3 ARG A 421 -4.745 7.643 -5.685 1.00 2.20 H new ATOM 0 HD2 ARG A 421 -5.873 6.496 -7.616 1.00 23.21 H new ATOM 0 HD3 ARG A 421 -7.003 7.831 -7.720 1.00 23.21 H new ATOM 0 HE ARG A 421 -4.216 7.807 -8.619 1.00 12.43 H new ATOM 0 HH11 ARG A 421 -6.948 9.795 -7.597 1.00 5.11 H new ATOM 0 HH12 ARG A 421 -6.370 11.232 -8.447 1.00 5.11 H new ATOM 0 HH21 ARG A 421 -3.479 9.657 -9.708 1.00 25.54 H new ATOM 0 HH22 ARG A 421 -4.415 11.154 -9.637 1.00 25.54 H new ATOM 115 N ALA A 422 -5.621 6.852 -2.112 1.00 75.42 N ATOM 116 CA ALA A 422 -4.837 7.442 -1.035 1.00 1.04 C ATOM 117 C ALA A 422 -4.115 6.366 -0.230 1.00 44.34 C ATOM 118 O ALA A 422 -3.089 6.631 0.400 1.00 72.45 O ATOM 119 CB ALA A 422 -5.730 8.273 -0.125 1.00 21.30 C ATOM 0 H ALA A 422 -6.608 6.720 -1.892 1.00 75.42 H new ATOM 0 HA ALA A 422 -4.085 8.093 -1.481 1.00 1.04 H new ATOM 0 HB1 ALA A 422 -5.131 8.708 0.675 1.00 21.30 H new ATOM 0 HB2 ALA A 422 -6.197 9.071 -0.703 1.00 21.30 H new ATOM 0 HB3 ALA A 422 -6.503 7.637 0.306 1.00 21.30 H new ATOM 125 N LEU A 423 -4.655 5.153 -0.254 1.00 4.45 N ATOM 126 CA LEU A 423 -4.062 4.037 0.475 1.00 72.34 C ATOM 127 C LEU A 423 -2.677 3.703 -0.072 1.00 51.23 C ATOM 128 O LEU A 423 -1.722 3.537 0.686 1.00 61.13 O ATOM 129 CB LEU A 423 -4.966 2.807 0.388 1.00 53.13 C ATOM 130 CG LEU A 423 -5.750 2.458 1.654 1.00 44.21 C ATOM 131 CD1 LEU A 423 -4.824 1.874 2.710 1.00 54.31 C ATOM 132 CD2 LEU A 423 -6.468 3.687 2.193 1.00 5.21 C ATOM 0 H LEU A 423 -5.502 4.917 -0.770 1.00 4.45 H new ATOM 0 HA LEU A 423 -3.959 4.332 1.519 1.00 72.34 H new ATOM 0 HB2 LEU A 423 -5.676 2.960 -0.424 1.00 53.13 H new ATOM 0 HB3 LEU A 423 -4.352 1.948 0.117 1.00 53.13 H new ATOM 0 HG LEU A 423 -6.498 1.707 1.400 1.00 44.21 H new ATOM 0 HD11 LEU A 423 -5.399 1.632 3.604 1.00 54.31 H new ATOM 0 HD12 LEU A 423 -4.356 0.969 2.323 1.00 54.31 H new ATOM 0 HD13 LEU A 423 -4.053 2.603 2.961 1.00 54.31 H new ATOM 0 HD21 LEU A 423 -7.021 3.420 3.094 1.00 5.21 H new ATOM 0 HD22 LEU A 423 -5.737 4.460 2.431 1.00 5.21 H new ATOM 0 HD23 LEU A 423 -7.161 4.063 1.440 1.00 5.21 H new ATOM 144 N VAL A 424 -2.576 3.611 -1.395 1.00 32.54 N ATOM 145 CA VAL A 424 -1.308 3.301 -2.044 1.00 71.30 C ATOM 146 C VAL A 424 -0.323 4.457 -1.906 1.00 75.43 C ATOM 147 O VAL A 424 0.871 4.304 -2.164 1.00 31.10 O ATOM 148 CB VAL A 424 -1.505 2.985 -3.539 1.00 33.12 C ATOM 149 CG1 VAL A 424 -0.200 2.517 -4.163 1.00 23.13 C ATOM 150 CG2 VAL A 424 -2.598 1.942 -3.722 1.00 62.14 C ATOM 0 H VAL A 424 -3.357 3.747 -2.037 1.00 32.54 H new ATOM 0 HA VAL A 424 -0.904 2.421 -1.544 1.00 71.30 H new ATOM 0 HB VAL A 424 -1.815 3.897 -4.048 1.00 33.12 H new ATOM 0 HG11 VAL A 424 -0.359 2.299 -5.219 1.00 23.13 H new ATOM 0 HG12 VAL A 424 0.552 3.300 -4.064 1.00 23.13 H new ATOM 0 HG13 VAL A 424 0.144 1.617 -3.654 1.00 23.13 H new ATOM 0 HG21 VAL A 424 -2.725 1.730 -4.784 1.00 62.14 H new ATOM 0 HG22 VAL A 424 -2.319 1.027 -3.200 1.00 62.14 H new ATOM 0 HG23 VAL A 424 -3.535 2.321 -3.313 1.00 62.14 H new ATOM 160 N LYS A 425 -0.832 5.614 -1.497 1.00 23.55 N ATOM 161 CA LYS A 425 0.002 6.797 -1.321 1.00 65.25 C ATOM 162 C LYS A 425 0.739 6.751 0.014 1.00 72.04 C ATOM 163 O LYS A 425 1.952 6.954 0.072 1.00 53.42 O ATOM 164 CB LYS A 425 -0.852 8.064 -1.402 1.00 2.51 C ATOM 165 CG LYS A 425 -0.577 8.906 -2.636 1.00 23.05 C ATOM 166 CD LYS A 425 0.802 9.542 -2.581 1.00 42.14 C ATOM 167 CE LYS A 425 1.505 9.467 -3.928 1.00 54.31 C ATOM 168 NZ LYS A 425 2.981 9.609 -3.792 1.00 13.34 N ATOM 0 H LYS A 425 -1.818 5.758 -1.281 1.00 23.55 H new ATOM 0 HA LYS A 425 0.741 6.812 -2.122 1.00 65.25 H new ATOM 0 HB2 LYS A 425 -1.905 7.783 -1.392 1.00 2.51 H new ATOM 0 HB3 LYS A 425 -0.674 8.669 -0.513 1.00 2.51 H new ATOM 0 HG2 LYS A 425 -0.656 8.284 -3.527 1.00 23.05 H new ATOM 0 HG3 LYS A 425 -1.335 9.685 -2.722 1.00 23.05 H new ATOM 0 HD2 LYS A 425 0.711 10.584 -2.274 1.00 42.14 H new ATOM 0 HD3 LYS A 425 1.406 9.039 -1.826 1.00 42.14 H new ATOM 0 HE2 LYS A 425 1.274 8.515 -4.406 1.00 54.31 H new ATOM 0 HE3 LYS A 425 1.123 10.252 -4.581 1.00 54.31 H new ATOM 0 HZ1 LYS A 425 3.423 9.553 -4.732 1.00 13.34 H new ATOM 0 HZ2 LYS A 425 3.203 10.528 -3.360 1.00 13.34 H new ATOM 0 HZ3 LYS A 425 3.349 8.845 -3.190 1.00 13.34 H new ATOM 182 N LYS A 426 -0.001 6.481 1.083 1.00 42.54 N ATOM 183 CA LYS A 426 0.581 6.406 2.418 1.00 25.42 C ATOM 184 C LYS A 426 1.795 5.481 2.430 1.00 40.52 C ATOM 185 O LYS A 426 2.727 5.675 3.212 1.00 64.42 O ATOM 186 CB LYS A 426 -0.461 5.910 3.424 1.00 22.22 C ATOM 187 CG LYS A 426 -1.556 6.922 3.714 1.00 3.10 C ATOM 188 CD LYS A 426 -1.421 7.505 5.110 1.00 23.10 C ATOM 189 CE LYS A 426 -2.779 7.832 5.711 1.00 54.34 C ATOM 190 NZ LYS A 426 -2.967 9.299 5.891 1.00 11.13 N ATOM 0 H LYS A 426 -1.006 6.310 1.051 1.00 42.54 H new ATOM 0 HA LYS A 426 0.905 7.407 2.703 1.00 25.42 H new ATOM 0 HB2 LYS A 426 -0.915 4.995 3.043 1.00 22.22 H new ATOM 0 HB3 LYS A 426 0.041 5.652 4.357 1.00 22.22 H new ATOM 0 HG2 LYS A 426 -1.515 7.725 2.978 1.00 3.10 H new ATOM 0 HG3 LYS A 426 -2.530 6.445 3.611 1.00 3.10 H new ATOM 0 HD2 LYS A 426 -0.899 6.796 5.753 1.00 23.10 H new ATOM 0 HD3 LYS A 426 -0.812 8.408 5.071 1.00 23.10 H new ATOM 0 HE2 LYS A 426 -3.566 7.442 5.065 1.00 54.34 H new ATOM 0 HE3 LYS A 426 -2.880 7.332 6.674 1.00 54.34 H new ATOM 0 HZ1 LYS A 426 -3.904 9.481 6.303 1.00 11.13 H new ATOM 0 HZ2 LYS A 426 -2.232 9.668 6.527 1.00 11.13 H new ATOM 0 HZ3 LYS A 426 -2.896 9.774 4.968 1.00 11.13 H new ATOM 204 N LEU A 427 1.778 4.478 1.559 1.00 15.52 N ATOM 205 CA LEU A 427 2.878 3.524 1.469 1.00 42.42 C ATOM 206 C LEU A 427 4.214 4.246 1.330 1.00 44.52 C ATOM 207 O LEU A 427 5.252 3.739 1.754 1.00 4.35 O ATOM 208 CB LEU A 427 2.667 2.584 0.281 1.00 24.51 C ATOM 209 CG LEU A 427 1.253 2.027 0.108 1.00 1.53 C ATOM 210 CD1 LEU A 427 1.263 0.826 -0.824 1.00 54.52 C ATOM 211 CD2 LEU A 427 0.659 1.653 1.458 1.00 54.23 C ATOM 0 H LEU A 427 1.015 4.304 0.905 1.00 15.52 H new ATOM 0 HA LEU A 427 2.896 2.939 2.389 1.00 42.42 H new ATOM 0 HB2 LEU A 427 2.940 3.116 -0.630 1.00 24.51 H new ATOM 0 HB3 LEU A 427 3.357 1.746 0.380 1.00 24.51 H new ATOM 0 HG LEU A 427 0.630 2.802 -0.339 1.00 1.53 H new ATOM 0 HD11 LEU A 427 0.248 0.443 -0.935 1.00 54.52 H new ATOM 0 HD12 LEU A 427 1.647 1.125 -1.799 1.00 54.52 H new ATOM 0 HD13 LEU A 427 1.901 0.047 -0.407 1.00 54.52 H new ATOM 0 HD21 LEU A 427 -0.347 1.259 1.316 1.00 54.23 H new ATOM 0 HD22 LEU A 427 1.282 0.895 1.932 1.00 54.23 H new ATOM 0 HD23 LEU A 427 0.616 2.537 2.094 1.00 54.23 H new ATOM 223 N ILE A 428 4.179 5.434 0.733 1.00 3.35 N ATOM 224 CA ILE A 428 5.387 6.227 0.542 1.00 24.44 C ATOM 225 C ILE A 428 5.286 7.566 1.263 1.00 51.54 C ATOM 226 O ILE A 428 6.224 7.994 1.935 1.00 35.51 O ATOM 227 CB ILE A 428 5.664 6.480 -0.953 1.00 15.31 C ATOM 228 CG1 ILE A 428 5.557 5.174 -1.742 1.00 22.44 C ATOM 229 CG2 ILE A 428 7.037 7.108 -1.139 1.00 20.34 C ATOM 230 CD1 ILE A 428 4.185 4.935 -2.332 1.00 2.01 C ATOM 0 H ILE A 428 3.328 5.867 0.374 1.00 3.35 H new ATOM 0 HA ILE A 428 6.212 5.652 0.964 1.00 24.44 H new ATOM 0 HB ILE A 428 4.915 7.174 -1.334 1.00 15.31 H new ATOM 0 HG12 ILE A 428 6.293 5.184 -2.546 1.00 22.44 H new ATOM 0 HG13 ILE A 428 5.812 4.341 -1.087 1.00 22.44 H new ATOM 0 HG21 ILE A 428 7.218 7.280 -2.200 1.00 20.34 H new ATOM 0 HG22 ILE A 428 7.078 8.057 -0.605 1.00 20.34 H new ATOM 0 HG23 ILE A 428 7.800 6.437 -0.745 1.00 20.34 H new ATOM 0 HD11 ILE A 428 4.183 3.991 -2.877 1.00 2.01 H new ATOM 0 HD12 ILE A 428 3.447 4.893 -1.531 1.00 2.01 H new ATOM 0 HD13 ILE A 428 3.935 5.748 -3.013 1.00 2.01 H new ATOM 242 N ALA A 429 4.140 8.224 1.119 1.00 52.31 N ATOM 243 CA ALA A 429 3.913 9.514 1.759 1.00 3.33 C ATOM 244 C ALA A 429 4.179 9.436 3.259 1.00 32.23 C ATOM 245 O ALA A 429 4.744 10.357 3.848 1.00 23.42 O ATOM 246 CB ALA A 429 2.493 9.992 1.497 1.00 20.42 C ATOM 0 H ALA A 429 3.354 7.885 0.564 1.00 52.31 H new ATOM 0 HA ALA A 429 4.611 10.233 1.329 1.00 3.33 H new ATOM 0 HB1 ALA A 429 2.339 10.956 1.981 1.00 20.42 H new ATOM 0 HB2 ALA A 429 2.336 10.096 0.423 1.00 20.42 H new ATOM 0 HB3 ALA A 429 1.785 9.267 1.899 1.00 20.42 H new ATOM 252 N ALA A 430 3.766 8.332 3.872 1.00 34.50 N ATOM 253 CA ALA A 430 3.960 8.133 5.303 1.00 64.11 C ATOM 254 C ALA A 430 5.249 7.366 5.581 1.00 53.04 C ATOM 255 O ALA A 430 5.291 6.503 6.457 1.00 43.21 O ATOM 256 CB ALA A 430 2.769 7.400 5.901 1.00 55.40 C ATOM 0 H ALA A 430 3.294 7.561 3.399 1.00 34.50 H new ATOM 0 HA ALA A 430 4.042 9.113 5.773 1.00 64.11 H new ATOM 0 HB1 ALA A 430 2.928 7.259 6.970 1.00 55.40 H new ATOM 0 HB2 ALA A 430 1.864 7.987 5.743 1.00 55.40 H new ATOM 0 HB3 ALA A 430 2.660 6.429 5.419 1.00 55.40 H new ATOM 262 N GLU A 431 6.297 7.685 4.828 1.00 43.45 N ATOM 263 CA GLU A 431 7.585 7.025 4.993 1.00 24.53 C ATOM 264 C GLU A 431 8.728 7.949 4.582 1.00 33.52 C ATOM 265 O GLU A 431 8.514 9.122 4.281 1.00 32.24 O ATOM 266 CB GLU A 431 7.633 5.737 4.167 1.00 40.00 C ATOM 267 CG GLU A 431 6.545 4.741 4.529 1.00 74.13 C ATOM 268 CD GLU A 431 6.841 3.343 4.024 1.00 21.21 C ATOM 269 OE1 GLU A 431 7.579 3.217 3.024 1.00 33.24 O ATOM 270 OE2 GLU A 431 6.336 2.374 4.630 1.00 70.23 O ATOM 0 H GLU A 431 6.278 8.397 4.098 1.00 43.45 H new ATOM 0 HA GLU A 431 7.704 6.777 6.048 1.00 24.53 H new ATOM 0 HB2 GLU A 431 7.546 5.990 3.110 1.00 40.00 H new ATOM 0 HB3 GLU A 431 8.606 5.265 4.302 1.00 40.00 H new ATOM 0 HG2 GLU A 431 6.428 4.714 5.612 1.00 74.13 H new ATOM 0 HG3 GLU A 431 5.596 5.079 4.114 1.00 74.13 H new ATOM 277 N ASN A 432 9.943 7.410 4.571 1.00 22.53 N ATOM 278 CA ASN A 432 11.120 8.185 4.198 1.00 33.35 C ATOM 279 C ASN A 432 11.729 7.659 2.902 1.00 62.42 C ATOM 280 O ASN A 432 12.787 7.028 2.895 1.00 71.32 O ATOM 281 CB ASN A 432 12.161 8.142 5.318 1.00 24.42 C ATOM 282 CG ASN A 432 13.312 9.098 5.075 1.00 3.43 C ATOM 283 OD1 ASN A 432 14.478 8.700 5.079 1.00 53.41 O ATOM 284 ND2 ASN A 432 12.990 10.369 4.862 1.00 43.34 N ATOM 0 H ASN A 432 10.138 6.439 4.816 1.00 22.53 H new ATOM 0 HA ASN A 432 10.809 9.218 4.040 1.00 33.35 H new ATOM 0 HB2 ASN A 432 11.682 8.388 6.265 1.00 24.42 H new ATOM 0 HB3 ASN A 432 12.549 7.127 5.411 1.00 24.42 H new ATOM 0 HD21 ASN A 432 13.722 11.059 4.693 1.00 43.34 H new ATOM 0 HD22 ASN A 432 12.011 10.655 4.867 1.00 43.34 H new ATOM 291 N PRO A 433 11.048 7.925 1.778 1.00 62.24 N ATOM 292 CA PRO A 433 11.504 7.489 0.454 1.00 52.24 C ATOM 293 C PRO A 433 12.749 8.240 -0.007 1.00 34.54 C ATOM 294 O PRO A 433 13.261 7.998 -1.100 1.00 13.53 O ATOM 295 CB PRO A 433 10.316 7.815 -0.455 1.00 61.41 C ATOM 296 CG PRO A 433 9.599 8.922 0.240 1.00 24.33 C ATOM 297 CD PRO A 433 9.781 8.672 1.712 1.00 61.13 C ATOM 0 HA PRO A 433 11.788 6.437 0.447 1.00 52.24 H new ATOM 0 HB2 PRO A 433 10.649 8.120 -1.447 1.00 61.41 H new ATOM 0 HB3 PRO A 433 9.670 6.947 -0.589 1.00 61.41 H new ATOM 0 HG2 PRO A 433 10.008 9.891 -0.045 1.00 24.33 H new ATOM 0 HG3 PRO A 433 8.542 8.931 -0.027 1.00 24.33 H new ATOM 0 HD2 PRO A 433 9.835 9.604 2.274 1.00 61.13 H new ATOM 0 HD3 PRO A 433 8.953 8.097 2.127 1.00 61.13 H new ATOM 305 N ALA A 434 13.230 9.149 0.833 1.00 24.22 N ATOM 306 CA ALA A 434 14.417 9.933 0.513 1.00 23.54 C ATOM 307 C ALA A 434 15.584 9.028 0.129 1.00 51.53 C ATOM 308 O ALA A 434 16.015 9.008 -1.024 1.00 41.53 O ATOM 309 CB ALA A 434 14.798 10.819 1.689 1.00 32.10 C ATOM 0 H ALA A 434 12.816 9.361 1.741 1.00 24.22 H new ATOM 0 HA ALA A 434 14.185 10.566 -0.343 1.00 23.54 H new ATOM 0 HB1 ALA A 434 15.686 11.398 1.435 1.00 32.10 H new ATOM 0 HB2 ALA A 434 13.975 11.497 1.916 1.00 32.10 H new ATOM 0 HB3 ALA A 434 15.007 10.198 2.560 1.00 32.10 H new ATOM 315 N LYS A 435 16.093 8.282 1.104 1.00 51.21 N ATOM 316 CA LYS A 435 17.211 7.375 0.869 1.00 40.42 C ATOM 317 C LYS A 435 16.769 6.169 0.046 1.00 14.21 C ATOM 318 O LYS A 435 17.255 5.931 -1.060 1.00 22.33 O ATOM 319 CB LYS A 435 17.804 6.908 2.200 1.00 55.33 C ATOM 320 CG LYS A 435 19.122 7.577 2.548 1.00 63.33 C ATOM 321 CD LYS A 435 20.073 6.613 3.237 1.00 73.44 C ATOM 322 CE LYS A 435 19.716 6.431 4.703 1.00 21.13 C ATOM 323 NZ LYS A 435 20.830 5.810 5.472 1.00 42.41 N ATOM 0 H LYS A 435 15.749 8.288 2.064 1.00 51.21 H new ATOM 0 HA LYS A 435 17.974 7.916 0.308 1.00 40.42 H new ATOM 0 HB2 LYS A 435 17.086 7.103 2.996 1.00 55.33 H new ATOM 0 HB3 LYS A 435 17.953 5.829 2.163 1.00 55.33 H new ATOM 0 HG2 LYS A 435 19.587 7.961 1.640 1.00 63.33 H new ATOM 0 HG3 LYS A 435 18.936 8.433 3.197 1.00 63.33 H new ATOM 0 HD2 LYS A 435 20.044 5.648 2.732 1.00 73.44 H new ATOM 0 HD3 LYS A 435 21.094 6.985 3.154 1.00 73.44 H new ATOM 0 HE2 LYS A 435 19.469 7.399 5.139 1.00 21.13 H new ATOM 0 HE3 LYS A 435 18.826 5.807 4.785 1.00 21.13 H new ATOM 0 HZ1 LYS A 435 20.547 5.703 6.467 1.00 42.41 H new ATOM 0 HZ2 LYS A 435 21.049 4.876 5.072 1.00 42.41 H new ATOM 0 HZ3 LYS A 435 21.672 6.418 5.415 1.00 42.41 H new ATOM 337 N PRO A 436 15.825 5.391 0.595 1.00 0.13 N ATOM 338 CA PRO A 436 15.295 4.198 -0.072 1.00 65.43 C ATOM 339 C PRO A 436 14.442 4.544 -1.288 1.00 50.21 C ATOM 340 O PRO A 436 14.218 5.718 -1.588 1.00 21.25 O ATOM 341 CB PRO A 436 14.440 3.535 1.010 1.00 4.01 C ATOM 342 CG PRO A 436 14.048 4.650 1.918 1.00 73.52 C ATOM 343 CD PRO A 436 15.201 5.615 1.909 1.00 12.52 C ATOM 0 HA PRO A 436 16.091 3.559 -0.456 1.00 65.43 H new ATOM 0 HB2 PRO A 436 13.565 3.048 0.580 1.00 4.01 H new ATOM 0 HB3 PRO A 436 15.001 2.768 1.544 1.00 4.01 H new ATOM 0 HG2 PRO A 436 13.133 5.132 1.573 1.00 73.52 H new ATOM 0 HG3 PRO A 436 13.854 4.283 2.926 1.00 73.52 H new ATOM 0 HD2 PRO A 436 14.863 6.645 2.023 1.00 12.52 H new ATOM 0 HD3 PRO A 436 15.898 5.416 2.723 1.00 12.52 H new ATOM 351 N LEU A 437 13.968 3.517 -1.984 1.00 32.30 N ATOM 352 CA LEU A 437 13.138 3.712 -3.167 1.00 53.10 C ATOM 353 C LEU A 437 12.207 2.523 -3.383 1.00 10.21 C ATOM 354 O LEU A 437 11.738 2.283 -4.495 1.00 70.13 O ATOM 355 CB LEU A 437 14.016 3.918 -4.403 1.00 31.24 C ATOM 356 CG LEU A 437 15.273 3.051 -4.484 1.00 3.02 C ATOM 357 CD1 LEU A 437 14.901 1.587 -4.666 1.00 52.23 C ATOM 358 CD2 LEU A 437 16.172 3.520 -5.619 1.00 11.30 C ATOM 0 H LEU A 437 14.144 2.540 -1.749 1.00 32.30 H new ATOM 0 HA LEU A 437 12.529 4.602 -3.009 1.00 53.10 H new ATOM 0 HB2 LEU A 437 13.411 3.729 -5.290 1.00 31.24 H new ATOM 0 HB3 LEU A 437 14.318 4.965 -4.440 1.00 31.24 H new ATOM 0 HG LEU A 437 15.822 3.151 -3.547 1.00 3.02 H new ATOM 0 HD11 LEU A 437 15.808 0.985 -4.722 1.00 52.23 H new ATOM 0 HD12 LEU A 437 14.298 1.257 -3.820 1.00 52.23 H new ATOM 0 HD13 LEU A 437 14.330 1.468 -5.587 1.00 52.23 H new ATOM 0 HD21 LEU A 437 17.062 2.892 -5.662 1.00 11.30 H new ATOM 0 HD22 LEU A 437 15.632 3.450 -6.563 1.00 11.30 H new ATOM 0 HD23 LEU A 437 16.467 4.555 -5.446 1.00 11.30 H new ATOM 370 N SER A 438 11.944 1.782 -2.311 1.00 1.44 N ATOM 371 CA SER A 438 11.071 0.617 -2.383 1.00 33.12 C ATOM 372 C SER A 438 9.870 0.780 -1.457 1.00 32.34 C ATOM 373 O SER A 438 9.846 1.667 -0.604 1.00 12.31 O ATOM 374 CB SER A 438 11.845 -0.650 -2.015 1.00 64.11 C ATOM 375 OG SER A 438 13.232 -0.383 -1.890 1.00 52.14 O ATOM 0 H SER A 438 12.323 1.968 -1.383 1.00 1.44 H new ATOM 0 HA SER A 438 10.708 0.528 -3.407 1.00 33.12 H new ATOM 0 HB2 SER A 438 11.463 -1.053 -1.077 1.00 64.11 H new ATOM 0 HB3 SER A 438 11.686 -1.412 -2.778 1.00 64.11 H new ATOM 0 HG SER A 438 13.704 -1.208 -1.653 1.00 52.14 H new ATOM 381 N ASP A 439 8.875 -0.085 -1.631 1.00 51.43 N ATOM 382 CA ASP A 439 7.670 -0.038 -0.810 1.00 21.34 C ATOM 383 C ASP A 439 7.691 -1.137 0.247 1.00 74.41 C ATOM 384 O ASP A 439 6.706 -1.352 0.953 1.00 35.52 O ATOM 385 CB ASP A 439 6.425 -0.179 -1.687 1.00 21.23 C ATOM 386 CG ASP A 439 6.621 0.409 -3.070 1.00 62.03 C ATOM 387 OD1 ASP A 439 6.704 1.650 -3.180 1.00 71.45 O ATOM 388 OD2 ASP A 439 6.693 -0.372 -4.041 1.00 43.03 O ATOM 0 H ASP A 439 8.879 -0.826 -2.332 1.00 51.43 H new ATOM 0 HA ASP A 439 7.641 0.927 -0.304 1.00 21.34 H new ATOM 0 HB2 ASP A 439 6.166 -1.234 -1.777 1.00 21.23 H new ATOM 0 HB3 ASP A 439 5.584 0.316 -1.201 1.00 21.23 H new ATOM 393 N SER A 440 8.820 -1.832 0.350 1.00 13.43 N ATOM 394 CA SER A 440 8.966 -2.913 1.318 1.00 63.32 C ATOM 395 C SER A 440 8.683 -2.418 2.733 1.00 51.43 C ATOM 396 O SER A 440 8.362 -3.203 3.625 1.00 24.12 O ATOM 397 CB SER A 440 10.376 -3.502 1.246 1.00 65.32 C ATOM 398 OG SER A 440 10.828 -3.580 -0.096 1.00 2.24 O ATOM 0 H SER A 440 9.646 -1.666 -0.225 1.00 13.43 H new ATOM 0 HA SER A 440 8.241 -3.689 1.071 1.00 63.32 H new ATOM 0 HB2 SER A 440 11.061 -2.886 1.829 1.00 65.32 H new ATOM 0 HB3 SER A 440 10.382 -4.496 1.693 1.00 65.32 H new ATOM 0 HG SER A 440 11.732 -3.958 -0.115 1.00 2.24 H new ATOM 404 N LYS A 441 8.802 -1.109 2.930 1.00 72.42 N ATOM 405 CA LYS A 441 8.557 -0.506 4.234 1.00 1.13 C ATOM 406 C LYS A 441 7.061 -0.352 4.491 1.00 24.14 C ATOM 407 O LYS A 441 6.613 -0.357 5.639 1.00 24.13 O ATOM 408 CB LYS A 441 9.244 0.858 4.325 1.00 55.23 C ATOM 409 CG LYS A 441 10.404 0.891 5.305 1.00 43.42 C ATOM 410 CD LYS A 441 11.739 0.761 4.592 1.00 3.21 C ATOM 411 CE LYS A 441 12.894 1.181 5.489 1.00 60.11 C ATOM 412 NZ LYS A 441 13.199 0.149 6.519 1.00 71.32 N ATOM 0 H LYS A 441 9.067 -0.445 2.202 1.00 72.42 H new ATOM 0 HA LYS A 441 8.972 -1.167 4.995 1.00 1.13 H new ATOM 0 HB2 LYS A 441 9.607 1.139 3.336 1.00 55.23 H new ATOM 0 HB3 LYS A 441 8.509 1.607 4.620 1.00 55.23 H new ATOM 0 HG2 LYS A 441 10.380 1.824 5.867 1.00 43.42 H new ATOM 0 HG3 LYS A 441 10.295 0.081 6.027 1.00 43.42 H new ATOM 0 HD2 LYS A 441 11.882 -0.271 4.272 1.00 3.21 H new ATOM 0 HD3 LYS A 441 11.733 1.376 3.692 1.00 3.21 H new ATOM 0 HE2 LYS A 441 13.780 1.360 4.880 1.00 60.11 H new ATOM 0 HE3 LYS A 441 12.649 2.123 5.980 1.00 60.11 H new ATOM 0 HZ1 LYS A 441 13.991 0.472 7.110 1.00 71.32 H new ATOM 0 HZ2 LYS A 441 12.361 -0.004 7.116 1.00 71.32 H new ATOM 0 HZ3 LYS A 441 13.458 -0.743 6.051 1.00 71.32 H new ATOM 426 N LEU A 442 6.292 -0.218 3.416 1.00 5.03 N ATOM 427 CA LEU A 442 4.846 -0.064 3.524 1.00 12.22 C ATOM 428 C LEU A 442 4.246 -1.162 4.398 1.00 71.13 C ATOM 429 O LEU A 442 3.289 -0.929 5.138 1.00 3.25 O ATOM 430 CB LEU A 442 4.204 -0.093 2.136 1.00 3.23 C ATOM 431 CG LEU A 442 3.908 -1.479 1.562 1.00 20.05 C ATOM 432 CD1 LEU A 442 2.545 -1.969 2.025 1.00 44.22 C ATOM 433 CD2 LEU A 442 3.980 -1.453 0.043 1.00 70.15 C ATOM 0 H LEU A 442 6.646 -0.213 2.459 1.00 5.03 H new ATOM 0 HA LEU A 442 4.642 0.900 3.991 1.00 12.22 H new ATOM 0 HB2 LEU A 442 3.270 0.468 2.178 1.00 3.23 H new ATOM 0 HB3 LEU A 442 4.861 0.433 1.443 1.00 3.23 H new ATOM 0 HG LEU A 442 4.664 -2.173 1.930 1.00 20.05 H new ATOM 0 HD11 LEU A 442 2.352 -2.957 1.606 1.00 44.22 H new ATOM 0 HD12 LEU A 442 2.530 -2.027 3.113 1.00 44.22 H new ATOM 0 HD13 LEU A 442 1.775 -1.275 1.688 1.00 44.22 H new ATOM 0 HD21 LEU A 442 3.767 -2.448 -0.348 1.00 70.15 H new ATOM 0 HD22 LEU A 442 3.246 -0.746 -0.344 1.00 70.15 H new ATOM 0 HD23 LEU A 442 4.979 -1.147 -0.269 1.00 70.15 H new ATOM 445 N THR A 443 4.813 -2.360 4.306 1.00 24.51 N ATOM 446 CA THR A 443 4.336 -3.495 5.088 1.00 51.14 C ATOM 447 C THR A 443 5.199 -3.711 6.326 1.00 61.14 C ATOM 448 O THR A 443 4.826 -4.457 7.230 1.00 34.34 O ATOM 449 CB THR A 443 4.325 -4.788 4.252 1.00 52.14 C ATOM 450 OG1 THR A 443 3.638 -5.824 4.962 1.00 31.35 O ATOM 451 CG2 THR A 443 5.743 -5.238 3.931 1.00 12.14 C ATOM 0 H THR A 443 5.604 -2.570 3.697 1.00 24.51 H new ATOM 0 HA THR A 443 3.317 -3.261 5.395 1.00 51.14 H new ATOM 0 HB THR A 443 3.806 -4.585 3.315 1.00 52.14 H new ATOM 0 HG1 THR A 443 3.677 -5.642 5.924 1.00 31.35 H new ATOM 0 HG21 THR A 443 5.709 -6.153 3.340 1.00 12.14 H new ATOM 0 HG22 THR A 443 6.253 -4.459 3.364 1.00 12.14 H new ATOM 0 HG23 THR A 443 6.284 -5.425 4.859 1.00 12.14 H new ATOM 459 N SER A 444 6.352 -3.052 6.361 1.00 63.03 N ATOM 460 CA SER A 444 7.269 -3.175 7.488 1.00 63.31 C ATOM 461 C SER A 444 6.581 -2.788 8.794 1.00 65.45 C ATOM 462 O SER A 444 6.565 -3.560 9.753 1.00 43.43 O ATOM 463 CB SER A 444 8.502 -2.296 7.268 1.00 71.01 C ATOM 464 OG SER A 444 9.352 -2.317 8.401 1.00 43.21 O ATOM 0 H SER A 444 6.674 -2.427 5.622 1.00 63.03 H new ATOM 0 HA SER A 444 7.582 -4.217 7.558 1.00 63.31 H new ATOM 0 HB2 SER A 444 9.049 -2.645 6.392 1.00 71.01 H new ATOM 0 HB3 SER A 444 8.190 -1.272 7.062 1.00 71.01 H new ATOM 0 HG SER A 444 10.133 -1.749 8.235 1.00 43.21 H new ATOM 470 N LEU A 445 6.013 -1.588 8.821 1.00 40.32 N ATOM 471 CA LEU A 445 5.322 -1.095 10.008 1.00 23.23 C ATOM 472 C LEU A 445 4.178 -2.027 10.398 1.00 41.25 C ATOM 473 O LEU A 445 3.843 -2.158 11.575 1.00 2.34 O ATOM 474 CB LEU A 445 4.785 0.316 9.761 1.00 30.14 C ATOM 475 CG LEU A 445 5.557 1.454 10.429 1.00 12.14 C ATOM 476 CD1 LEU A 445 5.398 2.742 9.638 1.00 41.42 C ATOM 477 CD2 LEU A 445 5.089 1.646 11.864 1.00 13.45 C ATOM 0 H LEU A 445 6.017 -0.938 8.035 1.00 40.32 H new ATOM 0 HA LEU A 445 6.038 -1.065 10.829 1.00 23.23 H new ATOM 0 HB2 LEU A 445 4.771 0.495 8.686 1.00 30.14 H new ATOM 0 HB3 LEU A 445 3.751 0.355 10.104 1.00 30.14 H new ATOM 0 HG LEU A 445 6.614 1.190 10.445 1.00 12.14 H new ATOM 0 HD11 LEU A 445 5.954 3.541 10.128 1.00 41.42 H new ATOM 0 HD12 LEU A 445 5.783 2.599 8.628 1.00 41.42 H new ATOM 0 HD13 LEU A 445 4.343 3.011 9.589 1.00 41.42 H new ATOM 0 HD21 LEU A 445 5.649 2.460 12.324 1.00 13.45 H new ATOM 0 HD22 LEU A 445 4.026 1.888 11.871 1.00 13.45 H new ATOM 0 HD23 LEU A 445 5.256 0.728 12.427 1.00 13.45 H new ATOM 489 N LEU A 446 3.583 -2.673 9.401 1.00 21.11 N ATOM 490 CA LEU A 446 2.478 -3.595 9.639 1.00 64.52 C ATOM 491 C LEU A 446 2.958 -4.842 10.375 1.00 34.13 C ATOM 492 O LEU A 446 2.207 -5.454 11.134 1.00 34.13 O ATOM 493 CB LEU A 446 1.824 -3.992 8.314 1.00 45.24 C ATOM 494 CG LEU A 446 0.506 -3.292 7.980 1.00 32.21 C ATOM 495 CD1 LEU A 446 -0.036 -3.783 6.647 1.00 43.25 C ATOM 496 CD2 LEU A 446 -0.513 -3.519 9.088 1.00 33.11 C ATOM 0 H LEU A 446 3.847 -2.575 8.421 1.00 21.11 H new ATOM 0 HA LEU A 446 1.742 -3.087 10.263 1.00 64.52 H new ATOM 0 HB2 LEU A 446 2.532 -3.794 7.509 1.00 45.24 H new ATOM 0 HB3 LEU A 446 1.648 -5.068 8.327 1.00 45.24 H new ATOM 0 HG LEU A 446 0.695 -2.221 7.900 1.00 32.21 H new ATOM 0 HD11 LEU A 446 -0.974 -3.274 6.426 1.00 43.25 H new ATOM 0 HD12 LEU A 446 0.687 -3.570 5.860 1.00 43.25 H new ATOM 0 HD13 LEU A 446 -0.210 -4.858 6.699 1.00 43.25 H new ATOM 0 HD21 LEU A 446 -1.445 -3.014 8.834 1.00 33.11 H new ATOM 0 HD22 LEU A 446 -0.698 -4.587 9.199 1.00 33.11 H new ATOM 0 HD23 LEU A 446 -0.127 -3.118 10.025 1.00 33.11 H new ATOM 508 N SER A 447 4.214 -5.211 10.148 1.00 11.21 N ATOM 509 CA SER A 447 4.794 -6.386 10.789 1.00 44.55 C ATOM 510 C SER A 447 5.214 -6.071 12.221 1.00 1.15 C ATOM 511 O SER A 447 5.439 -6.975 13.025 1.00 43.40 O ATOM 512 CB SER A 447 5.999 -6.885 9.990 1.00 64.11 C ATOM 513 OG SER A 447 6.043 -8.301 9.964 1.00 34.53 O ATOM 0 H SER A 447 4.850 -4.714 9.525 1.00 11.21 H new ATOM 0 HA SER A 447 4.035 -7.168 10.815 1.00 44.55 H new ATOM 0 HB2 SER A 447 5.948 -6.501 8.971 1.00 64.11 H new ATOM 0 HB3 SER A 447 6.917 -6.498 10.431 1.00 64.11 H new ATOM 0 HG SER A 447 6.821 -8.595 9.446 1.00 34.53 H new ATOM 519 N GLU A 448 5.317 -4.783 12.532 1.00 14.22 N ATOM 520 CA GLU A 448 5.710 -4.349 13.867 1.00 44.21 C ATOM 521 C GLU A 448 4.751 -4.893 14.921 1.00 54.32 C ATOM 522 O GLU A 448 5.098 -4.996 16.097 1.00 33.24 O ATOM 523 CB GLU A 448 5.752 -2.820 13.939 1.00 21.15 C ATOM 524 CG GLU A 448 6.802 -2.197 13.035 1.00 32.22 C ATOM 525 CD GLU A 448 8.214 -2.419 13.540 1.00 12.53 C ATOM 526 OE1 GLU A 448 8.672 -1.627 14.390 1.00 32.01 O ATOM 527 OE2 GLU A 448 8.861 -3.386 13.085 1.00 5.23 O ATOM 0 H GLU A 448 5.134 -4.022 11.878 1.00 14.22 H new ATOM 0 HA GLU A 448 6.706 -4.743 14.070 1.00 44.21 H new ATOM 0 HB2 GLU A 448 4.772 -2.425 13.670 1.00 21.15 H new ATOM 0 HB3 GLU A 448 5.946 -2.518 14.968 1.00 21.15 H new ATOM 0 HG2 GLU A 448 6.708 -2.617 12.033 1.00 32.22 H new ATOM 0 HG3 GLU A 448 6.615 -1.127 12.951 1.00 32.22 H new ATOM 534 N GLN A 449 3.541 -5.236 14.490 1.00 33.41 N ATOM 535 CA GLN A 449 2.530 -5.769 15.397 1.00 43.55 C ATOM 536 C GLN A 449 2.266 -7.243 15.113 1.00 62.35 C ATOM 537 O GLN A 449 2.096 -8.042 16.033 1.00 61.11 O ATOM 538 CB GLN A 449 1.230 -4.971 15.268 1.00 11.15 C ATOM 539 CG GLN A 449 1.347 -3.759 14.359 1.00 62.52 C ATOM 540 CD GLN A 449 0.129 -2.860 14.426 1.00 11.31 C ATOM 541 OE1 GLN A 449 -1.008 -3.328 14.352 1.00 23.51 O ATOM 542 NE2 GLN A 449 0.359 -1.560 14.567 1.00 1.13 N ATOM 0 H GLN A 449 3.237 -5.155 13.520 1.00 33.41 H new ATOM 0 HA GLN A 449 2.906 -5.677 16.416 1.00 43.55 H new ATOM 0 HB2 GLN A 449 0.448 -5.627 14.886 1.00 11.15 H new ATOM 0 HB3 GLN A 449 0.915 -4.643 16.259 1.00 11.15 H new ATOM 0 HG2 GLN A 449 2.232 -3.186 14.636 1.00 62.52 H new ATOM 0 HG3 GLN A 449 1.491 -4.093 13.331 1.00 62.52 H new ATOM 0 HE21 GLN A 449 1.317 -1.215 14.624 1.00 1.13 H new ATOM 0 HE22 GLN A 449 -0.422 -0.906 14.618 1.00 1.13 H new ATOM 551 N GLY A 450 2.232 -7.598 13.832 1.00 43.34 N ATOM 552 CA GLY A 450 1.988 -8.976 13.449 1.00 32.15 C ATOM 553 C GLY A 450 1.429 -9.098 12.046 1.00 63.22 C ATOM 554 O GLY A 450 1.468 -10.173 11.446 1.00 3.34 O ATOM 0 H GLY A 450 2.369 -6.955 13.052 1.00 43.34 H new ATOM 0 HA2 GLY A 450 2.919 -9.539 13.516 1.00 32.15 H new ATOM 0 HA3 GLY A 450 1.291 -9.428 14.155 1.00 32.15 H new ATOM 558 N ILE A 451 0.906 -7.995 11.521 1.00 22.23 N ATOM 559 CA ILE A 451 0.337 -7.983 10.179 1.00 34.54 C ATOM 560 C ILE A 451 1.390 -8.328 9.132 1.00 31.13 C ATOM 561 O ILE A 451 2.583 -8.115 9.344 1.00 74.33 O ATOM 562 CB ILE A 451 -0.279 -6.614 9.840 1.00 11.32 C ATOM 563 CG1 ILE A 451 -1.139 -6.114 11.003 1.00 34.43 C ATOM 564 CG2 ILE A 451 -1.105 -6.704 8.566 1.00 63.40 C ATOM 565 CD1 ILE A 451 -2.187 -7.110 11.451 1.00 75.33 C ATOM 0 H ILE A 451 0.865 -7.098 12.005 1.00 22.23 H new ATOM 0 HA ILE A 451 -0.448 -8.739 10.163 1.00 34.54 H new ATOM 0 HB ILE A 451 0.529 -5.901 9.677 1.00 11.32 H new ATOM 0 HG12 ILE A 451 -0.492 -5.876 11.847 1.00 34.43 H new ATOM 0 HG13 ILE A 451 -1.632 -5.188 10.708 1.00 34.43 H new ATOM 0 HG21 ILE A 451 -1.534 -5.727 8.340 1.00 63.40 H new ATOM 0 HG22 ILE A 451 -0.467 -7.020 7.740 1.00 63.40 H new ATOM 0 HG23 ILE A 451 -1.907 -7.429 8.703 1.00 63.40 H new ATOM 0 HD11 ILE A 451 -2.759 -6.689 12.278 1.00 75.33 H new ATOM 0 HD12 ILE A 451 -2.858 -7.330 10.621 1.00 75.33 H new ATOM 0 HD13 ILE A 451 -1.700 -8.029 11.777 1.00 75.33 H new ATOM 577 N MET A 452 0.939 -8.861 8.001 1.00 24.12 N ATOM 578 CA MET A 452 1.843 -9.233 6.918 1.00 23.23 C ATOM 579 C MET A 452 1.064 -9.573 5.652 1.00 34.33 C ATOM 580 O MET A 452 0.942 -10.742 5.281 1.00 5.25 O ATOM 581 CB MET A 452 2.709 -10.423 7.334 1.00 34.00 C ATOM 582 CG MET A 452 1.914 -11.577 7.926 1.00 44.41 C ATOM 583 SD MET A 452 2.968 -12.840 8.664 1.00 70.35 S ATOM 584 CE MET A 452 3.658 -11.939 10.049 1.00 60.14 C ATOM 0 H MET A 452 -0.046 -9.045 7.810 1.00 24.12 H new ATOM 0 HA MET A 452 2.488 -8.380 6.708 1.00 23.23 H new ATOM 0 HB2 MET A 452 3.261 -10.781 6.465 1.00 34.00 H new ATOM 0 HB3 MET A 452 3.446 -10.088 8.064 1.00 34.00 H new ATOM 0 HG2 MET A 452 1.231 -11.192 8.683 1.00 44.41 H new ATOM 0 HG3 MET A 452 1.303 -12.030 7.146 1.00 44.41 H new ATOM 0 HE1 MET A 452 4.745 -11.921 9.966 1.00 60.14 H new ATOM 0 HE2 MET A 452 3.276 -10.918 10.045 1.00 60.14 H new ATOM 0 HE3 MET A 452 3.373 -12.429 10.980 1.00 60.14 H new ATOM 594 N VAL A 453 0.537 -8.547 4.993 1.00 73.44 N ATOM 595 CA VAL A 453 -0.231 -8.738 3.767 1.00 23.40 C ATOM 596 C VAL A 453 0.033 -7.613 2.773 1.00 60.41 C ATOM 597 O VAL A 453 0.220 -7.856 1.581 1.00 73.41 O ATOM 598 CB VAL A 453 -1.742 -8.810 4.056 1.00 2.24 C ATOM 599 CG1 VAL A 453 -2.131 -10.204 4.522 1.00 30.32 C ATOM 600 CG2 VAL A 453 -2.136 -7.765 5.089 1.00 21.11 C ATOM 0 H VAL A 453 0.627 -7.574 5.287 1.00 73.44 H new ATOM 0 HA VAL A 453 0.093 -9.685 3.334 1.00 23.40 H new ATOM 0 HB VAL A 453 -2.281 -8.598 3.133 1.00 2.24 H new ATOM 0 HG11 VAL A 453 -3.202 -10.235 4.721 1.00 30.32 H new ATOM 0 HG12 VAL A 453 -1.885 -10.929 3.746 1.00 30.32 H new ATOM 0 HG13 VAL A 453 -1.585 -10.449 5.433 1.00 30.32 H new ATOM 0 HG21 VAL A 453 -3.207 -7.830 5.282 1.00 21.11 H new ATOM 0 HG22 VAL A 453 -1.589 -7.944 6.015 1.00 21.11 H new ATOM 0 HG23 VAL A 453 -1.894 -6.771 4.712 1.00 21.11 H new ATOM 610 N ALA A 454 0.046 -6.382 3.270 1.00 2.14 N ATOM 611 CA ALA A 454 0.290 -5.219 2.427 1.00 74.23 C ATOM 612 C ALA A 454 1.526 -5.420 1.557 1.00 31.34 C ATOM 613 O ALA A 454 1.632 -4.850 0.471 1.00 23.34 O ATOM 614 CB ALA A 454 0.440 -3.969 3.280 1.00 10.04 C ATOM 0 H ALA A 454 -0.110 -6.164 4.254 1.00 2.14 H new ATOM 0 HA ALA A 454 -0.569 -5.094 1.768 1.00 74.23 H new ATOM 0 HB1 ALA A 454 0.622 -3.109 2.636 1.00 10.04 H new ATOM 0 HB2 ALA A 454 -0.473 -3.807 3.852 1.00 10.04 H new ATOM 0 HB3 ALA A 454 1.279 -4.094 3.964 1.00 10.04 H new ATOM 620 N ARG A 455 2.459 -6.234 2.042 1.00 11.54 N ATOM 621 CA ARG A 455 3.689 -6.509 1.310 1.00 50.11 C ATOM 622 C ARG A 455 3.385 -6.939 -0.122 1.00 52.02 C ATOM 623 O ARG A 455 3.719 -6.236 -1.076 1.00 42.10 O ATOM 624 CB ARG A 455 4.498 -7.596 2.019 1.00 34.41 C ATOM 625 CG ARG A 455 5.925 -7.722 1.512 1.00 70.11 C ATOM 626 CD ARG A 455 6.843 -8.308 2.572 1.00 3.15 C ATOM 627 NE ARG A 455 7.754 -9.306 2.018 1.00 3.40 N ATOM 628 CZ ARG A 455 8.755 -9.010 1.195 1.00 2.40 C ATOM 629 NH1 ARG A 455 8.972 -7.753 0.834 1.00 12.14 N ATOM 630 NH2 ARG A 455 9.541 -9.973 0.732 1.00 22.43 N ATOM 0 H ARG A 455 2.386 -6.714 2.939 1.00 11.54 H new ATOM 0 HA ARG A 455 4.276 -5.591 1.279 1.00 50.11 H new ATOM 0 HB2 ARG A 455 4.519 -7.383 3.088 1.00 34.41 H new ATOM 0 HB3 ARG A 455 3.992 -8.553 1.895 1.00 34.41 H new ATOM 0 HG2 ARG A 455 5.942 -8.354 0.624 1.00 70.11 H new ATOM 0 HG3 ARG A 455 6.294 -6.741 1.212 1.00 70.11 H new ATOM 0 HD2 ARG A 455 7.420 -7.507 3.034 1.00 3.15 H new ATOM 0 HD3 ARG A 455 6.243 -8.763 3.360 1.00 3.15 H new ATOM 0 HE ARG A 455 7.615 -10.283 2.277 1.00 3.40 H new ATOM 0 HH11 ARG A 455 8.370 -7.010 1.188 1.00 12.14 H new ATOM 0 HH12 ARG A 455 9.741 -7.529 0.202 1.00 12.14 H new ATOM 0 HH21 ARG A 455 9.377 -10.941 1.007 1.00 22.43 H new ATOM 0 HH22 ARG A 455 10.309 -9.745 0.100 1.00 22.43 H new ATOM 644 N ARG A 456 2.749 -8.097 -0.264 1.00 71.31 N ATOM 645 CA ARG A 456 2.401 -8.621 -1.580 1.00 22.10 C ATOM 646 C ARG A 456 1.062 -8.062 -2.052 1.00 1.12 C ATOM 647 O ARG A 456 0.838 -7.886 -3.250 1.00 15.21 O ATOM 648 CB ARG A 456 2.344 -10.149 -1.544 1.00 73.10 C ATOM 649 CG ARG A 456 1.041 -10.697 -0.984 1.00 2.30 C ATOM 650 CD ARG A 456 0.004 -10.894 -2.077 1.00 71.44 C ATOM 651 NE ARG A 456 -0.492 -12.267 -2.121 1.00 64.42 N ATOM 652 CZ ARG A 456 0.144 -13.259 -2.734 1.00 25.01 C ATOM 653 NH1 ARG A 456 1.296 -13.030 -3.352 1.00 33.12 N ATOM 654 NH2 ARG A 456 -0.370 -14.481 -2.730 1.00 33.41 N ATOM 0 H ARG A 456 2.464 -8.690 0.515 1.00 71.31 H new ATOM 0 HA ARG A 456 3.173 -8.309 -2.284 1.00 22.10 H new ATOM 0 HB2 ARG A 456 2.486 -10.533 -2.554 1.00 73.10 H new ATOM 0 HB3 ARG A 456 3.173 -10.521 -0.942 1.00 73.10 H new ATOM 0 HG2 ARG A 456 1.230 -11.647 -0.485 1.00 2.30 H new ATOM 0 HG3 ARG A 456 0.651 -10.013 -0.230 1.00 2.30 H new ATOM 0 HD2 ARG A 456 -0.830 -10.212 -1.912 1.00 71.44 H new ATOM 0 HD3 ARG A 456 0.441 -10.635 -3.042 1.00 71.44 H new ATOM 0 HE ARG A 456 -1.375 -12.476 -1.655 1.00 64.42 H new ATOM 0 HH11 ARG A 456 1.694 -12.091 -3.357 1.00 33.12 H new ATOM 0 HH12 ARG A 456 1.783 -13.793 -3.822 1.00 33.12 H new ATOM 0 HH21 ARG A 456 -1.255 -14.660 -2.256 1.00 33.41 H new ATOM 0 HH22 ARG A 456 0.120 -15.242 -3.201 1.00 33.41 H new ATOM 668 N THR A 457 0.175 -7.783 -1.101 1.00 63.33 N ATOM 669 CA THR A 457 -1.142 -7.246 -1.419 1.00 42.21 C ATOM 670 C THR A 457 -1.030 -5.936 -2.190 1.00 4.44 C ATOM 671 O THR A 457 -1.913 -5.586 -2.972 1.00 3.12 O ATOM 672 CB THR A 457 -1.974 -7.010 -0.145 1.00 40.32 C ATOM 673 OG1 THR A 457 -2.376 -8.263 0.418 1.00 73.34 O ATOM 674 CG2 THR A 457 -3.203 -6.167 -0.450 1.00 54.42 C ATOM 0 H THR A 457 0.345 -7.920 -0.105 1.00 63.33 H new ATOM 0 HA THR A 457 -1.645 -7.987 -2.040 1.00 42.21 H new ATOM 0 HB THR A 457 -1.354 -6.473 0.573 1.00 40.32 H new ATOM 0 HG1 THR A 457 -1.639 -8.636 0.946 1.00 73.34 H new ATOM 0 HG21 THR A 457 -3.775 -6.014 0.465 1.00 54.42 H new ATOM 0 HG22 THR A 457 -2.892 -5.202 -0.850 1.00 54.42 H new ATOM 0 HG23 THR A 457 -3.824 -6.681 -1.184 1.00 54.42 H new ATOM 682 N VAL A 458 0.064 -5.213 -1.963 1.00 51.13 N ATOM 683 CA VAL A 458 0.292 -3.941 -2.637 1.00 62.53 C ATOM 684 C VAL A 458 0.917 -4.153 -4.013 1.00 52.41 C ATOM 685 O VAL A 458 0.558 -3.480 -4.979 1.00 2.05 O ATOM 686 CB VAL A 458 1.206 -3.021 -1.807 1.00 43.01 C ATOM 687 CG1 VAL A 458 1.799 -1.926 -2.680 1.00 73.34 C ATOM 688 CG2 VAL A 458 0.440 -2.424 -0.637 1.00 34.50 C ATOM 0 H VAL A 458 0.805 -5.487 -1.318 1.00 51.13 H new ATOM 0 HA VAL A 458 -0.682 -3.465 -2.752 1.00 62.53 H new ATOM 0 HB VAL A 458 2.026 -3.618 -1.409 1.00 43.01 H new ATOM 0 HG11 VAL A 458 2.442 -1.286 -2.075 1.00 73.34 H new ATOM 0 HG12 VAL A 458 2.386 -2.377 -3.481 1.00 73.34 H new ATOM 0 HG13 VAL A 458 0.995 -1.329 -3.111 1.00 73.34 H new ATOM 0 HG21 VAL A 458 1.102 -1.777 -0.061 1.00 34.50 H new ATOM 0 HG22 VAL A 458 -0.401 -1.842 -1.012 1.00 34.50 H new ATOM 0 HG23 VAL A 458 0.070 -3.225 0.003 1.00 34.50 H new ATOM 698 N ALA A 459 1.853 -5.093 -4.092 1.00 43.24 N ATOM 699 CA ALA A 459 2.526 -5.395 -5.349 1.00 64.30 C ATOM 700 C ALA A 459 1.518 -5.643 -6.467 1.00 14.21 C ATOM 701 O ALA A 459 1.791 -5.370 -7.636 1.00 11.22 O ATOM 702 CB ALA A 459 3.438 -6.601 -5.182 1.00 63.40 C ATOM 0 H ALA A 459 2.162 -5.658 -3.301 1.00 43.24 H new ATOM 0 HA ALA A 459 3.130 -4.531 -5.626 1.00 64.30 H new ATOM 0 HB1 ALA A 459 3.934 -6.816 -6.128 1.00 63.40 H new ATOM 0 HB2 ALA A 459 4.187 -6.388 -4.419 1.00 63.40 H new ATOM 0 HB3 ALA A 459 2.847 -7.465 -4.878 1.00 63.40 H new ATOM 708 N LYS A 460 0.351 -6.162 -6.099 1.00 41.14 N ATOM 709 CA LYS A 460 -0.699 -6.446 -7.070 1.00 2.03 C ATOM 710 C LYS A 460 -1.236 -5.158 -7.684 1.00 65.15 C ATOM 711 O LYS A 460 -1.537 -5.105 -8.877 1.00 31.43 O ATOM 712 CB LYS A 460 -1.840 -7.220 -6.405 1.00 61.11 C ATOM 713 CG LYS A 460 -1.979 -8.648 -6.905 1.00 63.44 C ATOM 714 CD LYS A 460 -3.328 -9.239 -6.536 1.00 35.44 C ATOM 715 CE LYS A 460 -3.174 -10.543 -5.768 1.00 40.14 C ATOM 716 NZ LYS A 460 -4.479 -11.234 -5.580 1.00 32.10 N ATOM 0 H LYS A 460 0.109 -6.394 -5.136 1.00 41.14 H new ATOM 0 HA LYS A 460 -0.269 -7.055 -7.865 1.00 2.03 H new ATOM 0 HB2 LYS A 460 -1.678 -7.235 -5.327 1.00 61.11 H new ATOM 0 HB3 LYS A 460 -2.777 -6.690 -6.579 1.00 61.11 H new ATOM 0 HG2 LYS A 460 -1.856 -8.669 -7.988 1.00 63.44 H new ATOM 0 HG3 LYS A 460 -1.184 -9.262 -6.482 1.00 63.44 H new ATOM 0 HD2 LYS A 460 -3.887 -8.524 -5.932 1.00 35.44 H new ATOM 0 HD3 LYS A 460 -3.909 -9.415 -7.441 1.00 35.44 H new ATOM 0 HE2 LYS A 460 -2.489 -11.201 -6.303 1.00 40.14 H new ATOM 0 HE3 LYS A 460 -2.727 -10.340 -4.795 1.00 40.14 H new ATOM 0 HZ1 LYS A 460 -4.331 -12.118 -5.052 1.00 32.10 H new ATOM 0 HZ2 LYS A 460 -5.125 -10.617 -5.047 1.00 32.10 H new ATOM 0 HZ3 LYS A 460 -4.894 -11.450 -6.509 1.00 32.10 H new ATOM 730 N TYR A 461 -1.351 -4.120 -6.863 1.00 53.15 N ATOM 731 CA TYR A 461 -1.852 -2.831 -7.327 1.00 5.41 C ATOM 732 C TYR A 461 -0.749 -2.034 -8.017 1.00 10.34 C ATOM 733 O TYR A 461 -0.990 -1.353 -9.014 1.00 74.04 O ATOM 734 CB TYR A 461 -2.419 -2.029 -6.154 1.00 13.24 C ATOM 735 CG TYR A 461 -3.865 -2.345 -5.847 1.00 75.34 C ATOM 736 CD1 TYR A 461 -4.203 -3.382 -4.985 1.00 44.30 C ATOM 737 CD2 TYR A 461 -4.894 -1.607 -6.418 1.00 32.41 C ATOM 738 CE1 TYR A 461 -5.523 -3.674 -4.703 1.00 32.32 C ATOM 739 CE2 TYR A 461 -6.217 -1.892 -6.140 1.00 40.05 C ATOM 740 CZ TYR A 461 -6.527 -2.927 -5.282 1.00 41.11 C ATOM 741 OH TYR A 461 -7.842 -3.214 -5.002 1.00 53.34 O ATOM 0 H TYR A 461 -1.104 -4.146 -5.874 1.00 53.15 H new ATOM 0 HA TYR A 461 -2.647 -3.017 -8.049 1.00 5.41 H new ATOM 0 HB2 TYR A 461 -1.817 -2.224 -5.267 1.00 13.24 H new ATOM 0 HB3 TYR A 461 -2.327 -0.965 -6.374 1.00 13.24 H new ATOM 0 HD1 TYR A 461 -3.420 -3.969 -4.528 1.00 44.30 H new ATOM 0 HD2 TYR A 461 -4.656 -0.796 -7.091 1.00 32.41 H new ATOM 0 HE1 TYR A 461 -5.768 -4.484 -4.032 1.00 32.32 H new ATOM 0 HE2 TYR A 461 -7.005 -1.307 -6.592 1.00 40.05 H new ATOM 0 HH TYR A 461 -8.423 -2.594 -5.490 1.00 53.34 H new ATOM 751 N ARG A 462 0.462 -2.124 -7.478 1.00 44.21 N ATOM 752 CA ARG A 462 1.603 -1.411 -8.040 1.00 61.23 C ATOM 753 C ARG A 462 1.751 -1.709 -9.529 1.00 71.31 C ATOM 754 O ARG A 462 2.059 -0.820 -10.323 1.00 31.23 O ATOM 755 CB ARG A 462 2.887 -1.797 -7.302 1.00 51.33 C ATOM 756 CG ARG A 462 4.155 -1.364 -8.020 1.00 43.50 C ATOM 757 CD ARG A 462 4.207 0.146 -8.199 1.00 35.35 C ATOM 758 NE ARG A 462 5.525 0.689 -7.885 1.00 43.12 N ATOM 759 CZ ARG A 462 6.601 0.488 -8.638 1.00 2.24 C ATOM 760 NH1 ARG A 462 6.515 -0.239 -9.742 1.00 75.12 N ATOM 761 NH2 ARG A 462 7.766 1.016 -8.286 1.00 51.34 N ATOM 0 H ARG A 462 0.679 -2.683 -6.653 1.00 44.21 H new ATOM 0 HA ARG A 462 1.428 -0.342 -7.916 1.00 61.23 H new ATOM 0 HB2 ARG A 462 2.872 -1.351 -6.307 1.00 51.33 H new ATOM 0 HB3 ARG A 462 2.907 -2.878 -7.167 1.00 51.33 H new ATOM 0 HG2 ARG A 462 5.026 -1.694 -7.454 1.00 43.50 H new ATOM 0 HG3 ARG A 462 4.206 -1.849 -8.995 1.00 43.50 H new ATOM 0 HD2 ARG A 462 3.946 0.398 -9.227 1.00 35.35 H new ATOM 0 HD3 ARG A 462 3.460 0.613 -7.557 1.00 35.35 H new ATOM 0 HE ARG A 462 5.625 1.254 -7.041 1.00 43.12 H new ATOM 0 HH11 ARG A 462 5.621 -0.646 -10.016 1.00 75.12 H new ATOM 0 HH12 ARG A 462 7.343 -0.391 -10.318 1.00 75.12 H new ATOM 0 HH21 ARG A 462 7.836 1.577 -7.437 1.00 51.34 H new ATOM 0 HH22 ARG A 462 8.592 0.861 -8.865 1.00 51.34 H new ATOM 775 N GLU A 463 1.529 -2.966 -9.901 1.00 33.23 N ATOM 776 CA GLU A 463 1.639 -3.381 -11.294 1.00 73.32 C ATOM 777 C GLU A 463 0.830 -2.459 -12.202 1.00 4.35 C ATOM 778 O GLU A 463 1.230 -2.176 -13.331 1.00 72.41 O ATOM 779 CB GLU A 463 1.159 -4.825 -11.459 1.00 14.44 C ATOM 780 CG GLU A 463 2.164 -5.859 -10.983 1.00 23.22 C ATOM 781 CD GLU A 463 2.050 -7.173 -11.731 1.00 63.22 C ATOM 782 OE1 GLU A 463 2.423 -7.212 -12.922 1.00 74.51 O ATOM 783 OE2 GLU A 463 1.588 -8.162 -11.124 1.00 50.33 O ATOM 0 H GLU A 463 1.272 -3.714 -9.257 1.00 33.23 H new ATOM 0 HA GLU A 463 2.688 -3.319 -11.583 1.00 73.32 H new ATOM 0 HB2 GLU A 463 0.228 -4.955 -10.907 1.00 14.44 H new ATOM 0 HB3 GLU A 463 0.934 -5.006 -12.510 1.00 14.44 H new ATOM 0 HG2 GLU A 463 3.172 -5.463 -11.104 1.00 23.22 H new ATOM 0 HG3 GLU A 463 2.018 -6.038 -9.918 1.00 23.22 H new ATOM 790 N SER A 464 -0.309 -1.993 -11.699 1.00 44.42 N ATOM 791 CA SER A 464 -1.176 -1.105 -12.466 1.00 23.11 C ATOM 792 C SER A 464 -2.361 -0.645 -11.623 1.00 72.13 C ATOM 793 O SER A 464 -3.456 -1.202 -11.714 1.00 54.13 O ATOM 794 CB SER A 464 -1.675 -1.810 -13.728 1.00 34.23 C ATOM 795 OG SER A 464 -0.929 -1.411 -14.864 1.00 22.42 O ATOM 0 H SER A 464 -0.653 -2.215 -10.765 1.00 44.42 H new ATOM 0 HA SER A 464 -0.595 -0.229 -12.755 1.00 23.11 H new ATOM 0 HB2 SER A 464 -1.598 -2.890 -13.600 1.00 34.23 H new ATOM 0 HB3 SER A 464 -2.729 -1.582 -13.883 1.00 34.23 H new ATOM 0 HG SER A 464 0.027 -1.531 -14.686 1.00 22.42 H new ATOM 801 N LEU A 465 -2.136 0.376 -10.804 1.00 64.13 N ATOM 802 CA LEU A 465 -3.185 0.914 -9.945 1.00 0.44 C ATOM 803 C LEU A 465 -3.899 2.080 -10.621 1.00 61.04 C ATOM 804 O LEU A 465 -5.103 2.267 -10.450 1.00 55.21 O ATOM 805 CB LEU A 465 -2.594 1.368 -8.609 1.00 10.41 C ATOM 806 CG LEU A 465 -2.699 2.863 -8.303 1.00 33.24 C ATOM 807 CD1 LEU A 465 -4.100 3.213 -7.825 1.00 63.31 C ATOM 808 CD2 LEU A 465 -1.662 3.269 -7.265 1.00 23.43 C ATOM 0 H LEU A 465 -1.236 0.848 -10.716 1.00 64.13 H new ATOM 0 HA LEU A 465 -3.913 0.123 -9.764 1.00 0.44 H new ATOM 0 HB2 LEU A 465 -3.090 0.818 -7.809 1.00 10.41 H new ATOM 0 HB3 LEU A 465 -1.542 1.085 -8.585 1.00 10.41 H new ATOM 0 HG LEU A 465 -2.502 3.417 -9.221 1.00 33.24 H new ATOM 0 HD11 LEU A 465 -4.156 4.281 -7.612 1.00 63.31 H new ATOM 0 HD12 LEU A 465 -4.823 2.959 -8.600 1.00 63.31 H new ATOM 0 HD13 LEU A 465 -4.327 2.650 -6.919 1.00 63.31 H new ATOM 0 HD21 LEU A 465 -1.751 4.336 -7.059 1.00 23.43 H new ATOM 0 HD22 LEU A 465 -1.828 2.707 -6.346 1.00 23.43 H new ATOM 0 HD23 LEU A 465 -0.663 3.055 -7.646 1.00 23.43 H new