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 447 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 452 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 417 SER OG : rot -88:sc= 0.00212 USER MOD Set 2.2: A 418 THR OG1 : rot 180:sc= 0 USER MOD Single : A 416 SER OG : rot 84:sc= 0.0696 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= -0.283 X(o=-0.28,f=-0.39) 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 USER MOD Single : A 441 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00391) USER MOD Single : A 443 THR OG1 : rot -147:sc= 0.2 USER MOD Single : A 444 SER OG : rot 180:sc= 0 USER MOD Single : A 449 GLN : amide:sc= -1.34 K(o=-1.3,f=-3.8!) USER MOD Single : A 457 THR OG1 : rot 87:sc= 0.199 USER MOD Single : A 460 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 TYR OH : rot 180:sc= -0.0617 USER MOD Single : A 464 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 414 -17.764 -0.281 -5.459 1.00 21.34 N ATOM 2 CA GLU A 414 -17.572 0.451 -6.705 1.00 33.43 C ATOM 3 C GLU A 414 -16.709 1.689 -6.480 1.00 21.53 C ATOM 4 O GLU A 414 -15.607 1.798 -7.020 1.00 52.15 O ATOM 5 CB GLU A 414 -18.923 0.858 -7.297 1.00 23.43 C ATOM 6 CG GLU A 414 -19.767 -0.320 -7.752 1.00 40.10 C ATOM 7 CD GLU A 414 -21.239 0.027 -7.866 1.00 24.11 C ATOM 8 OE1 GLU A 414 -21.707 0.884 -7.087 1.00 71.14 O ATOM 9 OE2 GLU A 414 -21.922 -0.557 -8.733 1.00 65.32 O ATOM 0 HA GLU A 414 -17.059 -0.206 -7.408 1.00 33.43 H new ATOM 0 HB2 GLU A 414 -19.480 1.427 -6.553 1.00 23.43 H new ATOM 0 HB3 GLU A 414 -18.754 1.522 -8.145 1.00 23.43 H new ATOM 0 HG2 GLU A 414 -19.404 -0.670 -8.718 1.00 40.10 H new ATOM 0 HG3 GLU A 414 -19.645 -1.143 -7.048 1.00 40.10 H new ATOM 16 N ALA A 415 -17.217 2.620 -5.680 1.00 22.04 N ATOM 17 CA ALA A 415 -16.492 3.850 -5.382 1.00 72.33 C ATOM 18 C ALA A 415 -15.385 3.603 -4.363 1.00 55.24 C ATOM 19 O ALA A 415 -14.599 4.498 -4.057 1.00 24.33 O ATOM 20 CB ALA A 415 -17.451 4.918 -4.875 1.00 34.12 C ATOM 0 H ALA A 415 -18.128 2.547 -5.226 1.00 22.04 H new ATOM 0 HA ALA A 415 -16.028 4.201 -6.304 1.00 72.33 H new ATOM 0 HB1 ALA A 415 -16.897 5.831 -4.656 1.00 34.12 H new ATOM 0 HB2 ALA A 415 -18.203 5.124 -5.637 1.00 34.12 H new ATOM 0 HB3 ALA A 415 -17.942 4.565 -3.968 1.00 34.12 H new ATOM 26 N SER A 416 -15.331 2.382 -3.841 1.00 22.24 N ATOM 27 CA SER A 416 -14.322 2.018 -2.852 1.00 51.22 C ATOM 28 C SER A 416 -12.987 1.715 -3.525 1.00 4.43 C ATOM 29 O SER A 416 -11.933 1.783 -2.893 1.00 63.21 O ATOM 30 CB SER A 416 -14.786 0.805 -2.043 1.00 34.32 C ATOM 31 OG SER A 416 -16.135 0.483 -2.333 1.00 52.31 O ATOM 0 H SER A 416 -15.973 1.628 -4.086 1.00 22.24 H new ATOM 0 HA SER A 416 -14.186 2.864 -2.179 1.00 51.22 H new ATOM 0 HB2 SER A 416 -14.149 -0.050 -2.267 1.00 34.32 H new ATOM 0 HB3 SER A 416 -14.679 1.012 -0.978 1.00 34.32 H new ATOM 0 HG SER A 416 -16.173 -0.073 -3.139 1.00 52.31 H new ATOM 37 N SER A 417 -13.041 1.381 -4.809 1.00 71.54 N ATOM 38 CA SER A 417 -11.837 1.063 -5.569 1.00 2.44 C ATOM 39 C SER A 417 -10.913 2.276 -5.654 1.00 74.03 C ATOM 40 O SER A 417 -9.691 2.138 -5.703 1.00 23.12 O ATOM 41 CB SER A 417 -12.205 0.588 -6.975 1.00 11.35 C ATOM 42 OG SER A 417 -12.426 1.686 -7.843 1.00 70.31 O ATOM 0 H SER A 417 -13.906 1.323 -5.346 1.00 71.54 H new ATOM 0 HA SER A 417 -11.311 0.262 -5.050 1.00 2.44 H new ATOM 0 HB2 SER A 417 -11.406 -0.038 -7.372 1.00 11.35 H new ATOM 0 HB3 SER A 417 -13.102 -0.030 -6.930 1.00 11.35 H new ATOM 0 HG SER A 417 -13.364 1.963 -7.788 1.00 70.31 H new ATOM 48 N THR A 418 -11.509 3.464 -5.672 1.00 21.34 N ATOM 49 CA THR A 418 -10.742 4.701 -5.754 1.00 0.25 C ATOM 50 C THR A 418 -10.177 5.087 -4.392 1.00 1.45 C ATOM 51 O THR A 418 -9.162 5.779 -4.304 1.00 42.42 O ATOM 52 CB THR A 418 -11.603 5.861 -6.287 1.00 23.12 C ATOM 53 OG1 THR A 418 -12.406 5.412 -7.384 1.00 34.24 O ATOM 54 CG2 THR A 418 -10.728 7.023 -6.736 1.00 15.35 C ATOM 0 H THR A 418 -12.520 3.596 -5.631 1.00 21.34 H new ATOM 0 HA THR A 418 -9.921 4.519 -6.448 1.00 0.25 H new ATOM 0 HB THR A 418 -12.250 6.204 -5.480 1.00 23.12 H new ATOM 0 HG1 THR A 418 -12.952 6.155 -7.716 1.00 34.24 H new ATOM 0 HG21 THR A 418 -11.358 7.830 -7.109 1.00 15.35 H new ATOM 0 HG22 THR A 418 -10.139 7.382 -5.892 1.00 15.35 H new ATOM 0 HG23 THR A 418 -10.059 6.689 -7.529 1.00 15.35 H new ATOM 62 N ALA A 419 -10.838 4.636 -3.331 1.00 12.24 N ATOM 63 CA ALA A 419 -10.400 4.933 -1.973 1.00 24.52 C ATOM 64 C ALA A 419 -9.062 4.266 -1.670 1.00 24.20 C ATOM 65 O ALA A 419 -8.272 4.771 -0.873 1.00 12.52 O ATOM 66 CB ALA A 419 -11.452 4.487 -0.969 1.00 51.20 C ATOM 0 H ALA A 419 -11.680 4.063 -3.386 1.00 12.24 H new ATOM 0 HA ALA A 419 -10.267 6.012 -1.889 1.00 24.52 H new ATOM 0 HB1 ALA A 419 -11.111 4.715 0.041 1.00 51.20 H new ATOM 0 HB2 ALA A 419 -12.387 5.013 -1.164 1.00 51.20 H new ATOM 0 HB3 ALA A 419 -11.613 3.413 -1.064 1.00 51.20 H new ATOM 72 N ILE A 420 -8.814 3.129 -2.312 1.00 22.33 N ATOM 73 CA ILE A 420 -7.571 2.394 -2.112 1.00 10.15 C ATOM 74 C ILE A 420 -6.401 3.094 -2.794 1.00 42.24 C ATOM 75 O ILE A 420 -5.245 2.911 -2.412 1.00 74.15 O ATOM 76 CB ILE A 420 -7.676 0.954 -2.648 1.00 12.43 C ATOM 77 CG1 ILE A 420 -8.954 0.288 -2.135 1.00 15.32 C ATOM 78 CG2 ILE A 420 -6.452 0.147 -2.241 1.00 11.04 C ATOM 79 CD1 ILE A 420 -9.014 0.174 -0.627 1.00 3.11 C ATOM 0 H ILE A 420 -9.457 2.697 -2.975 1.00 22.33 H new ATOM 0 HA ILE A 420 -7.394 2.361 -1.037 1.00 10.15 H new ATOM 0 HB ILE A 420 -7.719 0.989 -3.737 1.00 12.43 H new ATOM 0 HG12 ILE A 420 -9.816 0.858 -2.483 1.00 15.32 H new ATOM 0 HG13 ILE A 420 -9.034 -0.708 -2.570 1.00 15.32 H new ATOM 0 HG21 ILE A 420 -6.541 -0.868 -2.627 1.00 11.04 H new ATOM 0 HG22 ILE A 420 -5.556 0.614 -2.650 1.00 11.04 H new ATOM 0 HG23 ILE A 420 -6.381 0.117 -1.154 1.00 11.04 H new ATOM 0 HD11 ILE A 420 -9.947 -0.308 -0.335 1.00 3.11 H new ATOM 0 HD12 ILE A 420 -8.172 -0.422 -0.273 1.00 3.11 H new ATOM 0 HD13 ILE A 420 -8.966 1.169 -0.185 1.00 3.11 H new ATOM 91 N ARG A 421 -6.710 3.900 -3.806 1.00 73.41 N ATOM 92 CA ARG A 421 -5.685 4.629 -4.543 1.00 1.24 C ATOM 93 C ARG A 421 -4.852 5.495 -3.601 1.00 64.31 C ATOM 94 O ARG A 421 -3.701 5.817 -3.894 1.00 13.33 O ATOM 95 CB ARG A 421 -6.326 5.501 -5.623 1.00 4.40 C ATOM 96 CG ARG A 421 -5.318 6.267 -6.465 1.00 43.41 C ATOM 97 CD ARG A 421 -5.977 6.909 -7.675 1.00 40.31 C ATOM 98 NE ARG A 421 -5.476 8.260 -7.920 1.00 33.53 N ATOM 99 CZ ARG A 421 -6.107 9.152 -8.674 1.00 75.34 C ATOM 100 NH1 ARG A 421 -7.258 8.840 -9.254 1.00 34.42 N ATOM 101 NH2 ARG A 421 -5.588 10.360 -8.849 1.00 21.34 N ATOM 0 H ARG A 421 -7.662 4.064 -4.134 1.00 73.41 H new ATOM 0 HA ARG A 421 -5.027 3.902 -5.018 1.00 1.24 H new ATOM 0 HB2 ARG A 421 -6.928 4.871 -6.277 1.00 4.40 H new ATOM 0 HB3 ARG A 421 -7.005 6.210 -5.150 1.00 4.40 H new ATOM 0 HG2 ARG A 421 -4.844 7.037 -5.856 1.00 43.41 H new ATOM 0 HG3 ARG A 421 -4.529 5.591 -6.795 1.00 43.41 H new ATOM 0 HD2 ARG A 421 -5.799 6.291 -8.555 1.00 40.31 H new ATOM 0 HD3 ARG A 421 -7.056 6.944 -7.524 1.00 40.31 H new ATOM 0 HE ARG A 421 -4.593 8.532 -7.488 1.00 33.53 H new ATOM 0 HH11 ARG A 421 -7.661 7.912 -9.121 1.00 34.42 H new ATOM 0 HH12 ARG A 421 -7.740 9.528 -9.833 1.00 34.42 H new ATOM 0 HH21 ARG A 421 -4.703 10.604 -8.404 1.00 21.34 H new ATOM 0 HH22 ARG A 421 -6.074 11.045 -9.429 1.00 21.34 H new ATOM 115 N ALA A 422 -5.442 5.868 -2.471 1.00 51.10 N ATOM 116 CA ALA A 422 -4.756 6.695 -1.487 1.00 23.33 C ATOM 117 C ALA A 422 -3.967 5.837 -0.504 1.00 30.24 C ATOM 118 O ALA A 422 -2.995 6.297 0.096 1.00 24.45 O ATOM 119 CB ALA A 422 -5.753 7.571 -0.744 1.00 13.51 C ATOM 0 H ALA A 422 -6.395 5.610 -2.214 1.00 51.10 H new ATOM 0 HA ALA A 422 -4.052 7.336 -2.017 1.00 23.33 H new ATOM 0 HB1 ALA A 422 -5.225 8.183 -0.012 1.00 13.51 H new ATOM 0 HB2 ALA A 422 -6.269 8.218 -1.454 1.00 13.51 H new ATOM 0 HB3 ALA A 422 -6.481 6.941 -0.233 1.00 13.51 H new ATOM 125 N LEU A 423 -4.391 4.590 -0.342 1.00 75.51 N ATOM 126 CA LEU A 423 -3.724 3.666 0.570 1.00 51.44 C ATOM 127 C LEU A 423 -2.284 3.417 0.136 1.00 55.20 C ATOM 128 O LEU A 423 -1.360 3.485 0.946 1.00 22.25 O ATOM 129 CB LEU A 423 -4.487 2.341 0.633 1.00 14.24 C ATOM 130 CG LEU A 423 -5.275 2.081 1.917 1.00 51.50 C ATOM 131 CD1 LEU A 423 -4.337 1.715 3.056 1.00 1.34 C ATOM 132 CD2 LEU A 423 -6.114 3.297 2.285 1.00 65.52 C ATOM 0 H LEU A 423 -5.194 4.194 -0.830 1.00 75.51 H new ATOM 0 HA LEU A 423 -3.711 4.118 1.562 1.00 51.44 H new ATOM 0 HB2 LEU A 423 -5.179 2.303 -0.208 1.00 14.24 H new ATOM 0 HB3 LEU A 423 -3.774 1.528 0.497 1.00 14.24 H new ATOM 0 HG LEU A 423 -5.946 1.240 1.743 1.00 51.50 H new ATOM 0 HD11 LEU A 423 -4.917 1.534 3.961 1.00 1.34 H new ATOM 0 HD12 LEU A 423 -3.781 0.814 2.795 1.00 1.34 H new ATOM 0 HD13 LEU A 423 -3.639 2.534 3.230 1.00 1.34 H new ATOM 0 HD21 LEU A 423 -6.668 3.093 3.201 1.00 65.52 H new ATOM 0 HD22 LEU A 423 -5.461 4.156 2.439 1.00 65.52 H new ATOM 0 HD23 LEU A 423 -6.814 3.513 1.478 1.00 65.52 H new ATOM 144 N VAL A 424 -2.099 3.131 -1.149 1.00 53.04 N ATOM 145 CA VAL A 424 -0.771 2.875 -1.692 1.00 2.31 C ATOM 146 C VAL A 424 0.089 4.134 -1.655 1.00 32.05 C ATOM 147 O VAL A 424 1.311 4.068 -1.793 1.00 32.34 O ATOM 148 CB VAL A 424 -0.847 2.362 -3.143 1.00 21.15 C ATOM 149 CG1 VAL A 424 0.539 1.998 -3.653 1.00 73.40 C ATOM 150 CG2 VAL A 424 -1.789 1.171 -3.237 1.00 62.12 C ATOM 0 H VAL A 424 -2.853 3.071 -1.833 1.00 53.04 H new ATOM 0 HA VAL A 424 -0.315 2.108 -1.066 1.00 2.31 H new ATOM 0 HB VAL A 424 -1.242 3.159 -3.773 1.00 21.15 H new ATOM 0 HG11 VAL A 424 0.466 1.638 -4.679 1.00 73.40 H new ATOM 0 HG12 VAL A 424 1.181 2.878 -3.622 1.00 73.40 H new ATOM 0 HG13 VAL A 424 0.965 1.217 -3.023 1.00 73.40 H new ATOM 0 HG21 VAL A 424 -1.831 0.821 -4.268 1.00 62.12 H new ATOM 0 HG22 VAL A 424 -1.425 0.368 -2.596 1.00 62.12 H new ATOM 0 HG23 VAL A 424 -2.786 1.470 -2.914 1.00 62.12 H new ATOM 160 N LYS A 425 -0.556 5.279 -1.467 1.00 3.52 N ATOM 161 CA LYS A 425 0.149 6.554 -1.408 1.00 65.43 C ATOM 162 C LYS A 425 0.771 6.771 -0.033 1.00 15.24 C ATOM 163 O LYS A 425 1.914 7.213 0.082 1.00 33.22 O ATOM 164 CB LYS A 425 -0.807 7.705 -1.733 1.00 62.50 C ATOM 165 CG LYS A 425 -0.109 8.941 -2.274 1.00 34.13 C ATOM 166 CD LYS A 425 -0.679 9.361 -3.618 1.00 13.31 C ATOM 167 CE LYS A 425 -0.761 10.874 -3.741 1.00 25.42 C ATOM 168 NZ LYS A 425 -1.505 11.292 -4.961 1.00 2.21 N ATOM 0 H LYS A 425 -1.567 5.351 -1.353 1.00 3.52 H new ATOM 0 HA LYS A 425 0.948 6.532 -2.149 1.00 65.43 H new ATOM 0 HB2 LYS A 425 -1.539 7.362 -2.464 1.00 62.50 H new ATOM 0 HB3 LYS A 425 -1.358 7.974 -0.832 1.00 62.50 H new ATOM 0 HG2 LYS A 425 -0.213 9.760 -1.562 1.00 34.13 H new ATOM 0 HG3 LYS A 425 0.958 8.742 -2.377 1.00 34.13 H new ATOM 0 HD2 LYS A 425 -0.056 8.963 -4.419 1.00 13.31 H new ATOM 0 HD3 LYS A 425 -1.672 8.930 -3.743 1.00 13.31 H new ATOM 0 HE2 LYS A 425 -1.252 11.284 -2.858 1.00 25.42 H new ATOM 0 HE3 LYS A 425 0.246 11.291 -3.769 1.00 25.42 H new ATOM 0 HZ1 LYS A 425 -1.539 12.330 -5.008 1.00 2.21 H new ATOM 0 HZ2 LYS A 425 -1.023 10.922 -5.805 1.00 2.21 H new ATOM 0 HZ3 LYS A 425 -2.474 10.916 -4.923 1.00 2.21 H new ATOM 182 N LYS A 426 0.012 6.455 1.011 1.00 75.41 N ATOM 183 CA LYS A 426 0.489 6.610 2.380 1.00 52.24 C ATOM 184 C LYS A 426 1.842 5.932 2.566 1.00 23.23 C ATOM 185 O LYS A 426 2.718 6.452 3.260 1.00 35.51 O ATOM 186 CB LYS A 426 -0.526 6.024 3.366 1.00 45.03 C ATOM 187 CG LYS A 426 -0.915 6.982 4.479 1.00 44.01 C ATOM 188 CD LYS A 426 -2.008 6.399 5.360 1.00 65.21 C ATOM 189 CE LYS A 426 -1.641 6.485 6.833 1.00 61.01 C ATOM 190 NZ LYS A 426 -2.845 6.439 7.708 1.00 41.44 N ATOM 0 H LYS A 426 -0.937 6.090 0.935 1.00 75.41 H new ATOM 0 HA LYS A 426 0.606 7.676 2.578 1.00 52.24 H new ATOM 0 HB2 LYS A 426 -1.423 5.731 2.820 1.00 45.03 H new ATOM 0 HB3 LYS A 426 -0.111 5.118 3.807 1.00 45.03 H new ATOM 0 HG2 LYS A 426 -0.039 7.210 5.087 1.00 44.01 H new ATOM 0 HG3 LYS A 426 -1.257 7.923 4.048 1.00 44.01 H new ATOM 0 HD2 LYS A 426 -2.942 6.933 5.185 1.00 65.21 H new ATOM 0 HD3 LYS A 426 -2.180 5.358 5.087 1.00 65.21 H new ATOM 0 HE2 LYS A 426 -0.974 5.662 7.090 1.00 61.01 H new ATOM 0 HE3 LYS A 426 -1.093 7.409 7.017 1.00 61.01 H new ATOM 0 HZ1 LYS A 426 -2.553 6.500 8.704 1.00 41.44 H new ATOM 0 HZ2 LYS A 426 -3.470 7.239 7.481 1.00 41.44 H new ATOM 0 HZ3 LYS A 426 -3.354 5.546 7.551 1.00 41.44 H new ATOM 204 N LEU A 427 2.008 4.772 1.940 1.00 42.31 N ATOM 205 CA LEU A 427 3.257 4.024 2.035 1.00 30.14 C ATOM 206 C LEU A 427 4.452 4.916 1.713 1.00 73.41 C ATOM 207 O LEU A 427 5.547 4.716 2.239 1.00 11.05 O ATOM 208 CB LEU A 427 3.229 2.826 1.085 1.00 62.31 C ATOM 209 CG LEU A 427 1.937 2.009 1.073 1.00 70.43 C ATOM 210 CD1 LEU A 427 2.177 0.640 0.453 1.00 43.15 C ATOM 211 CD2 LEU A 427 1.381 1.868 2.482 1.00 73.32 C ATOM 0 H LEU A 427 1.294 4.329 1.362 1.00 42.31 H new ATOM 0 HA LEU A 427 3.361 3.666 3.059 1.00 30.14 H new ATOM 0 HB2 LEU A 427 3.417 3.186 0.073 1.00 62.31 H new ATOM 0 HB3 LEU A 427 4.053 2.162 1.346 1.00 62.31 H new ATOM 0 HG LEU A 427 1.202 2.537 0.466 1.00 70.43 H new ATOM 0 HD11 LEU A 427 1.246 0.072 0.453 1.00 43.15 H new ATOM 0 HD12 LEU A 427 2.528 0.761 -0.572 1.00 43.15 H new ATOM 0 HD13 LEU A 427 2.929 0.105 1.033 1.00 43.15 H new ATOM 0 HD21 LEU A 427 0.461 1.284 2.453 1.00 73.32 H new ATOM 0 HD22 LEU A 427 2.112 1.363 3.113 1.00 73.32 H new ATOM 0 HD23 LEU A 427 1.170 2.856 2.891 1.00 73.32 H new ATOM 223 N ILE A 428 4.233 5.899 0.848 1.00 43.53 N ATOM 224 CA ILE A 428 5.291 6.824 0.459 1.00 70.33 C ATOM 225 C ILE A 428 5.207 8.122 1.253 1.00 14.45 C ATOM 226 O ILE A 428 6.185 8.861 1.360 1.00 52.22 O ATOM 227 CB ILE A 428 5.228 7.151 -1.046 1.00 30.45 C ATOM 228 CG1 ILE A 428 5.280 5.864 -1.872 1.00 32.44 C ATOM 229 CG2 ILE A 428 6.366 8.082 -1.433 1.00 21.43 C ATOM 230 CD1 ILE A 428 3.916 5.281 -2.168 1.00 71.32 C ATOM 0 H ILE A 428 3.333 6.076 0.403 1.00 43.53 H new ATOM 0 HA ILE A 428 6.238 6.329 0.676 1.00 70.33 H new ATOM 0 HB ILE A 428 4.285 7.656 -1.255 1.00 30.45 H new ATOM 0 HG12 ILE A 428 5.792 6.066 -2.813 1.00 32.44 H new ATOM 0 HG13 ILE A 428 5.875 5.123 -1.338 1.00 32.44 H new ATOM 0 HG21 ILE A 428 6.308 8.304 -2.499 1.00 21.43 H new ATOM 0 HG22 ILE A 428 6.287 9.009 -0.865 1.00 21.43 H new ATOM 0 HG23 ILE A 428 7.320 7.602 -1.214 1.00 21.43 H new ATOM 0 HD11 ILE A 428 4.029 4.371 -2.757 1.00 71.32 H new ATOM 0 HD12 ILE A 428 3.409 5.047 -1.232 1.00 71.32 H new ATOM 0 HD13 ILE A 428 3.325 6.005 -2.729 1.00 71.32 H new ATOM 242 N ALA A 429 4.031 8.392 1.811 1.00 2.55 N ATOM 243 CA ALA A 429 3.820 9.600 2.600 1.00 11.34 C ATOM 244 C ALA A 429 4.887 9.744 3.680 1.00 62.13 C ATOM 245 O ALA A 429 5.236 10.856 4.077 1.00 20.53 O ATOM 246 CB ALA A 429 2.433 9.586 3.226 1.00 75.15 C ATOM 0 H ALA A 429 3.211 7.791 1.731 1.00 2.55 H new ATOM 0 HA ALA A 429 3.897 10.458 1.932 1.00 11.34 H new ATOM 0 HB1 ALA A 429 2.289 10.494 3.812 1.00 75.15 H new ATOM 0 HB2 ALA A 429 1.679 9.538 2.440 1.00 75.15 H new ATOM 0 HB3 ALA A 429 2.336 8.716 3.875 1.00 75.15 H new ATOM 252 N ALA A 430 5.401 8.613 4.151 1.00 1.34 N ATOM 253 CA ALA A 430 6.430 8.614 5.184 1.00 11.40 C ATOM 254 C ALA A 430 7.574 7.674 4.821 1.00 63.35 C ATOM 255 O ALA A 430 8.048 6.907 5.658 1.00 73.31 O ATOM 256 CB ALA A 430 5.830 8.223 6.527 1.00 3.25 C ATOM 0 H ALA A 430 5.122 7.684 3.834 1.00 1.34 H new ATOM 0 HA ALA A 430 6.834 9.624 5.258 1.00 11.40 H new ATOM 0 HB1 ALA A 430 6.609 8.228 7.289 1.00 3.25 H new ATOM 0 HB2 ALA A 430 5.052 8.936 6.799 1.00 3.25 H new ATOM 0 HB3 ALA A 430 5.398 7.225 6.456 1.00 3.25 H new ATOM 262 N GLU A 431 8.012 7.739 3.567 1.00 2.43 N ATOM 263 CA GLU A 431 9.100 6.892 3.094 1.00 33.21 C ATOM 264 C GLU A 431 9.849 7.560 1.944 1.00 33.50 C ATOM 265 O GLU A 431 9.483 8.646 1.499 1.00 72.13 O ATOM 266 CB GLU A 431 8.559 5.533 2.643 1.00 11.52 C ATOM 267 CG GLU A 431 7.997 4.696 3.780 1.00 54.32 C ATOM 268 CD GLU A 431 9.050 4.313 4.800 1.00 23.01 C ATOM 269 OE1 GLU A 431 10.246 4.562 4.539 1.00 25.23 O ATOM 270 OE2 GLU A 431 8.681 3.764 5.859 1.00 33.31 O ATOM 0 H GLU A 431 7.630 8.369 2.862 1.00 2.43 H new ATOM 0 HA GLU A 431 9.795 6.743 3.920 1.00 33.21 H new ATOM 0 HB2 GLU A 431 7.779 5.691 1.898 1.00 11.52 H new ATOM 0 HB3 GLU A 431 9.359 4.977 2.154 1.00 11.52 H new ATOM 0 HG2 GLU A 431 7.202 5.252 4.276 1.00 54.32 H new ATOM 0 HG3 GLU A 431 7.547 3.791 3.372 1.00 54.32 H new ATOM 277 N ASN A 432 10.901 6.900 1.469 1.00 40.14 N ATOM 278 CA ASN A 432 11.702 7.430 0.371 1.00 22.34 C ATOM 279 C ASN A 432 11.921 6.370 -0.704 1.00 34.42 C ATOM 280 O ASN A 432 13.003 5.798 -0.836 1.00 34.44 O ATOM 281 CB ASN A 432 13.051 7.929 0.892 1.00 12.23 C ATOM 282 CG ASN A 432 13.968 8.391 -0.225 1.00 75.01 C ATOM 283 OD1 ASN A 432 13.684 9.374 -0.909 1.00 53.21 O ATOM 284 ND2 ASN A 432 15.074 7.681 -0.414 1.00 51.22 N ATOM 0 H ASN A 432 11.218 5.999 1.827 1.00 40.14 H new ATOM 0 HA ASN A 432 11.159 8.265 -0.072 1.00 22.34 H new ATOM 0 HB2 ASN A 432 12.887 8.752 1.587 1.00 12.23 H new ATOM 0 HB3 ASN A 432 13.539 7.131 1.452 1.00 12.23 H new ATOM 0 HD21 ASN A 432 15.729 7.943 -1.151 1.00 51.22 H new ATOM 0 HD22 ASN A 432 15.269 6.873 0.177 1.00 51.22 H new ATOM 291 N PRO A 433 10.869 6.100 -1.492 1.00 44.21 N ATOM 292 CA PRO A 433 10.921 5.108 -2.570 1.00 63.23 C ATOM 293 C PRO A 433 11.800 5.560 -3.731 1.00 42.33 C ATOM 294 O PRO A 433 11.944 4.850 -4.726 1.00 23.32 O ATOM 295 CB PRO A 433 9.461 4.993 -3.017 1.00 3.22 C ATOM 296 CG PRO A 433 8.847 6.299 -2.645 1.00 22.44 C ATOM 297 CD PRO A 433 9.549 6.744 -1.391 1.00 53.23 C ATOM 0 HA PRO A 433 11.354 4.165 -2.236 1.00 63.23 H new ATOM 0 HB2 PRO A 433 9.388 4.813 -4.090 1.00 3.22 H new ATOM 0 HB3 PRO A 433 8.959 4.163 -2.519 1.00 3.22 H new ATOM 0 HG2 PRO A 433 8.972 7.031 -3.443 1.00 22.44 H new ATOM 0 HG3 PRO A 433 7.776 6.192 -2.476 1.00 22.44 H new ATOM 0 HD2 PRO A 433 9.634 7.830 -1.342 1.00 53.23 H new ATOM 0 HD3 PRO A 433 9.014 6.426 -0.496 1.00 53.23 H new ATOM 305 N ALA A 434 12.386 6.746 -3.598 1.00 52.35 N ATOM 306 CA ALA A 434 13.252 7.291 -4.635 1.00 63.34 C ATOM 307 C ALA A 434 14.362 6.309 -4.995 1.00 43.42 C ATOM 308 O ALA A 434 14.388 5.761 -6.097 1.00 3.34 O ATOM 309 CB ALA A 434 13.843 8.619 -4.185 1.00 62.22 C ATOM 0 H ALA A 434 12.276 7.347 -2.781 1.00 52.35 H new ATOM 0 HA ALA A 434 12.649 7.459 -5.527 1.00 63.34 H new ATOM 0 HB1 ALA A 434 14.488 9.015 -4.970 1.00 62.22 H new ATOM 0 HB2 ALA A 434 13.038 9.327 -3.986 1.00 62.22 H new ATOM 0 HB3 ALA A 434 14.427 8.468 -3.277 1.00 62.22 H new ATOM 315 N LYS A 435 15.279 6.093 -4.058 1.00 64.21 N ATOM 316 CA LYS A 435 16.394 5.177 -4.275 1.00 71.24 C ATOM 317 C LYS A 435 15.911 3.731 -4.305 1.00 74.23 C ATOM 318 O LYS A 435 16.052 3.024 -5.303 1.00 63.14 O ATOM 319 CB LYS A 435 17.445 5.353 -3.178 1.00 33.55 C ATOM 320 CG LYS A 435 18.680 6.110 -3.634 1.00 74.43 C ATOM 321 CD LYS A 435 19.685 6.270 -2.506 1.00 31.32 C ATOM 322 CE LYS A 435 19.200 7.268 -1.465 1.00 34.23 C ATOM 323 NZ LYS A 435 19.777 8.623 -1.685 1.00 0.01 N ATOM 0 H LYS A 435 15.273 6.539 -3.141 1.00 64.21 H new ATOM 0 HA LYS A 435 16.843 5.411 -5.240 1.00 71.24 H new ATOM 0 HB2 LYS A 435 16.995 5.881 -2.337 1.00 33.55 H new ATOM 0 HB3 LYS A 435 17.745 4.371 -2.813 1.00 33.55 H new ATOM 0 HG2 LYS A 435 19.146 5.581 -4.465 1.00 74.43 H new ATOM 0 HG3 LYS A 435 18.389 7.093 -4.005 1.00 74.43 H new ATOM 0 HD2 LYS A 435 19.859 5.304 -2.032 1.00 31.32 H new ATOM 0 HD3 LYS A 435 20.640 6.602 -2.913 1.00 31.32 H new ATOM 0 HE2 LYS A 435 18.112 7.327 -1.497 1.00 34.23 H new ATOM 0 HE3 LYS A 435 19.471 6.915 -0.470 1.00 34.23 H new ATOM 0 HZ1 LYS A 435 19.422 9.274 -0.955 1.00 0.01 H new ATOM 0 HZ2 LYS A 435 20.814 8.572 -1.629 1.00 0.01 H new ATOM 0 HZ3 LYS A 435 19.498 8.971 -2.625 1.00 0.01 H new ATOM 337 N PRO A 436 15.324 3.279 -3.187 1.00 13.05 N ATOM 338 CA PRO A 436 14.807 1.913 -3.060 1.00 75.14 C ATOM 339 C PRO A 436 13.569 1.681 -3.920 1.00 72.13 C ATOM 340 O PRO A 436 13.077 2.597 -4.580 1.00 2.21 O ATOM 341 CB PRO A 436 14.455 1.802 -1.575 1.00 13.43 C ATOM 342 CG PRO A 436 14.199 3.205 -1.141 1.00 11.15 C ATOM 343 CD PRO A 436 15.122 4.065 -1.959 1.00 50.41 C ATOM 0 HA PRO A 436 15.531 1.170 -3.396 1.00 75.14 H new ATOM 0 HB2 PRO A 436 13.578 1.174 -1.422 1.00 13.43 H new ATOM 0 HB3 PRO A 436 15.271 1.354 -1.007 1.00 13.43 H new ATOM 0 HG2 PRO A 436 13.158 3.481 -1.307 1.00 11.15 H new ATOM 0 HG3 PRO A 436 14.394 3.326 -0.076 1.00 11.15 H new ATOM 0 HD2 PRO A 436 14.680 5.038 -2.173 1.00 50.41 H new ATOM 0 HD3 PRO A 436 16.063 4.250 -1.441 1.00 50.41 H new ATOM 351 N LEU A 437 13.068 0.450 -3.908 1.00 13.32 N ATOM 352 CA LEU A 437 11.885 0.098 -4.687 1.00 15.15 C ATOM 353 C LEU A 437 11.274 -1.207 -4.186 1.00 61.42 C ATOM 354 O LEU A 437 10.697 -1.971 -4.961 1.00 5.40 O ATOM 355 CB LEU A 437 12.244 -0.028 -6.168 1.00 2.04 C ATOM 356 CG LEU A 437 13.457 -0.901 -6.493 1.00 13.03 C ATOM 357 CD1 LEU A 437 13.043 -2.358 -6.628 1.00 31.14 C ATOM 358 CD2 LEU A 437 14.137 -0.417 -7.765 1.00 53.12 C ATOM 0 H LEU A 437 13.462 -0.320 -3.368 1.00 13.32 H new ATOM 0 HA LEU A 437 11.149 0.893 -4.566 1.00 15.15 H new ATOM 0 HB2 LEU A 437 11.380 -0.430 -6.698 1.00 2.04 H new ATOM 0 HB3 LEU A 437 12.424 0.971 -6.564 1.00 2.04 H new ATOM 0 HG LEU A 437 14.170 -0.821 -5.672 1.00 13.03 H new ATOM 0 HD11 LEU A 437 13.918 -2.965 -6.859 1.00 31.14 H new ATOM 0 HD12 LEU A 437 12.602 -2.699 -5.691 1.00 31.14 H new ATOM 0 HD13 LEU A 437 12.312 -2.456 -7.430 1.00 31.14 H new ATOM 0 HD21 LEU A 437 14.998 -1.050 -7.981 1.00 53.12 H new ATOM 0 HD22 LEU A 437 13.433 -0.467 -8.596 1.00 53.12 H new ATOM 0 HD23 LEU A 437 14.468 0.613 -7.631 1.00 53.12 H new ATOM 370 N SER A 438 11.403 -1.457 -2.887 1.00 20.41 N ATOM 371 CA SER A 438 10.865 -2.671 -2.285 1.00 64.22 C ATOM 372 C SER A 438 9.841 -2.333 -1.205 1.00 70.51 C ATOM 373 O SER A 438 9.821 -1.220 -0.680 1.00 72.14 O ATOM 374 CB SER A 438 11.994 -3.513 -1.687 1.00 63.24 C ATOM 375 OG SER A 438 13.236 -3.208 -2.298 1.00 43.11 O ATOM 0 H SER A 438 11.876 -0.835 -2.231 1.00 20.41 H new ATOM 0 HA SER A 438 10.368 -3.245 -3.067 1.00 64.22 H new ATOM 0 HB2 SER A 438 12.058 -3.331 -0.614 1.00 63.24 H new ATOM 0 HB3 SER A 438 11.771 -4.572 -1.818 1.00 63.24 H new ATOM 0 HG SER A 438 13.941 -3.758 -1.897 1.00 43.11 H new ATOM 381 N ASP A 439 8.994 -3.303 -0.880 1.00 40.12 N ATOM 382 CA ASP A 439 7.967 -3.111 0.137 1.00 11.24 C ATOM 383 C ASP A 439 8.399 -3.721 1.468 1.00 50.23 C ATOM 384 O ASP A 439 7.934 -4.795 1.849 1.00 21.31 O ATOM 385 CB ASP A 439 6.646 -3.732 -0.317 1.00 52.24 C ATOM 386 CG ASP A 439 6.833 -5.104 -0.934 1.00 72.21 C ATOM 387 OD1 ASP A 439 6.882 -6.094 -0.175 1.00 64.52 O ATOM 388 OD2 ASP A 439 6.931 -5.187 -2.177 1.00 75.22 O ATOM 0 H ASP A 439 8.998 -4.230 -1.306 1.00 40.12 H new ATOM 0 HA ASP A 439 7.826 -2.039 0.277 1.00 11.24 H new ATOM 0 HB2 ASP A 439 5.972 -3.809 0.536 1.00 52.24 H new ATOM 0 HB3 ASP A 439 6.168 -3.073 -1.042 1.00 52.24 H new ATOM 393 N SER A 440 9.290 -3.028 2.169 1.00 22.41 N ATOM 394 CA SER A 440 9.790 -3.504 3.454 1.00 42.31 C ATOM 395 C SER A 440 9.411 -2.539 4.574 1.00 23.13 C ATOM 396 O SER A 440 8.809 -2.934 5.572 1.00 44.50 O ATOM 397 CB SER A 440 11.309 -3.674 3.403 1.00 30.21 C ATOM 398 OG SER A 440 11.677 -4.698 2.495 1.00 2.22 O ATOM 0 H SER A 440 9.681 -2.135 1.869 1.00 22.41 H new ATOM 0 HA SER A 440 9.331 -4.471 3.660 1.00 42.31 H new ATOM 0 HB2 SER A 440 11.773 -2.734 3.104 1.00 30.21 H new ATOM 0 HB3 SER A 440 11.685 -3.913 4.398 1.00 30.21 H new ATOM 0 HG SER A 440 12.653 -4.786 2.479 1.00 2.22 H new ATOM 404 N LYS A 441 9.770 -1.272 4.400 1.00 40.50 N ATOM 405 CA LYS A 441 9.469 -0.248 5.394 1.00 23.31 C ATOM 406 C LYS A 441 7.966 -0.006 5.489 1.00 71.32 C ATOM 407 O LYS A 441 7.398 0.019 6.581 1.00 42.24 O ATOM 408 CB LYS A 441 10.185 1.059 5.044 1.00 62.24 C ATOM 409 CG LYS A 441 11.135 1.541 6.126 1.00 54.41 C ATOM 410 CD LYS A 441 12.121 2.564 5.588 1.00 23.11 C ATOM 411 CE LYS A 441 13.542 2.021 5.586 1.00 74.43 C ATOM 412 NZ LYS A 441 13.687 0.852 4.673 1.00 3.31 N ATOM 0 H LYS A 441 10.270 -0.929 3.580 1.00 40.50 H new ATOM 0 HA LYS A 441 9.824 -0.602 6.362 1.00 23.31 H new ATOM 0 HB2 LYS A 441 10.743 0.921 4.118 1.00 62.24 H new ATOM 0 HB3 LYS A 441 9.440 1.832 4.855 1.00 62.24 H new ATOM 0 HG2 LYS A 441 10.564 1.980 6.944 1.00 54.41 H new ATOM 0 HG3 LYS A 441 11.680 0.691 6.538 1.00 54.41 H new ATOM 0 HD2 LYS A 441 11.837 2.847 4.574 1.00 23.11 H new ATOM 0 HD3 LYS A 441 12.077 3.468 6.195 1.00 23.11 H new ATOM 0 HE2 LYS A 441 14.231 2.808 5.281 1.00 74.43 H new ATOM 0 HE3 LYS A 441 13.821 1.728 6.598 1.00 74.43 H new ATOM 0 HZ1 LYS A 441 14.680 0.542 4.660 1.00 3.31 H new ATOM 0 HZ2 LYS A 441 13.085 0.073 5.008 1.00 3.31 H new ATOM 0 HZ3 LYS A 441 13.397 1.124 3.712 1.00 3.31 H new ATOM 426 N LEU A 442 7.326 0.169 4.337 1.00 73.23 N ATOM 427 CA LEU A 442 5.887 0.406 4.289 1.00 31.25 C ATOM 428 C LEU A 442 5.127 -0.717 4.987 1.00 3.42 C ATOM 429 O LEU A 442 4.166 -0.472 5.718 1.00 3.33 O ATOM 430 CB LEU A 442 5.419 0.530 2.839 1.00 43.23 C ATOM 431 CG LEU A 442 5.903 -0.559 1.881 1.00 24.34 C ATOM 432 CD1 LEU A 442 4.819 -1.604 1.669 1.00 11.10 C ATOM 433 CD2 LEU A 442 6.328 0.049 0.552 1.00 34.15 C ATOM 0 H LEU A 442 7.781 0.151 3.424 1.00 73.23 H new ATOM 0 HA LEU A 442 5.680 1.340 4.812 1.00 31.25 H new ATOM 0 HB2 LEU A 442 4.329 0.536 2.829 1.00 43.23 H new ATOM 0 HB3 LEU A 442 5.746 1.496 2.454 1.00 43.23 H new ATOM 0 HG LEU A 442 6.769 -1.049 2.327 1.00 24.34 H new ATOM 0 HD11 LEU A 442 5.182 -2.371 0.984 1.00 11.10 H new ATOM 0 HD12 LEU A 442 4.563 -2.062 2.624 1.00 11.10 H new ATOM 0 HD13 LEU A 442 3.934 -1.129 1.246 1.00 11.10 H new ATOM 0 HD21 LEU A 442 6.669 -0.741 -0.117 1.00 34.15 H new ATOM 0 HD22 LEU A 442 5.481 0.566 0.101 1.00 34.15 H new ATOM 0 HD23 LEU A 442 7.139 0.758 0.719 1.00 34.15 H new ATOM 445 N THR A 443 5.564 -1.952 4.759 1.00 41.20 N ATOM 446 CA THR A 443 4.925 -3.113 5.366 1.00 72.00 C ATOM 447 C THR A 443 5.575 -3.463 6.700 1.00 43.23 C ATOM 448 O THR A 443 5.205 -4.446 7.342 1.00 31.31 O ATOM 449 CB THR A 443 4.992 -4.340 4.437 1.00 14.13 C ATOM 450 OG1 THR A 443 6.278 -4.411 3.812 1.00 24.54 O ATOM 451 CG2 THR A 443 3.908 -4.274 3.373 1.00 43.31 C ATOM 0 H THR A 443 6.358 -2.174 4.158 1.00 41.20 H new ATOM 0 HA THR A 443 3.881 -2.849 5.532 1.00 72.00 H new ATOM 0 HB THR A 443 4.832 -5.234 5.040 1.00 14.13 H new ATOM 0 HG1 THR A 443 6.185 -4.794 2.915 1.00 24.54 H new ATOM 0 HG21 THR A 443 3.976 -5.151 2.729 1.00 43.31 H new ATOM 0 HG22 THR A 443 2.929 -4.250 3.852 1.00 43.31 H new ATOM 0 HG23 THR A 443 4.041 -3.373 2.774 1.00 43.31 H new ATOM 459 N SER A 444 6.543 -2.651 7.112 1.00 32.41 N ATOM 460 CA SER A 444 7.246 -2.877 8.369 1.00 13.13 C ATOM 461 C SER A 444 6.297 -2.738 9.556 1.00 43.22 C ATOM 462 O SER A 444 6.191 -3.637 10.390 1.00 51.22 O ATOM 463 CB SER A 444 8.408 -1.892 8.512 1.00 31.34 C ATOM 464 OG SER A 444 9.189 -2.188 9.658 1.00 62.21 O ATOM 0 H SER A 444 6.858 -1.831 6.594 1.00 32.41 H new ATOM 0 HA SER A 444 7.640 -3.893 8.359 1.00 13.13 H new ATOM 0 HB2 SER A 444 9.034 -1.932 7.621 1.00 31.34 H new ATOM 0 HB3 SER A 444 8.021 -0.876 8.584 1.00 31.34 H new ATOM 0 HG SER A 444 9.926 -1.546 9.726 1.00 62.21 H new ATOM 470 N LEU A 445 5.609 -1.602 9.624 1.00 22.43 N ATOM 471 CA LEU A 445 4.668 -1.343 10.707 1.00 22.15 C ATOM 472 C LEU A 445 3.579 -2.410 10.751 1.00 25.20 C ATOM 473 O LEU A 445 3.178 -2.859 11.825 1.00 52.30 O ATOM 474 CB LEU A 445 4.037 0.041 10.539 1.00 15.33 C ATOM 475 CG LEU A 445 4.555 1.133 11.475 1.00 22.20 C ATOM 476 CD1 LEU A 445 4.404 2.503 10.832 1.00 34.41 C ATOM 477 CD2 LEU A 445 3.824 1.085 12.809 1.00 62.24 C ATOM 0 H LEU A 445 5.686 -0.847 8.942 1.00 22.43 H new ATOM 0 HA LEU A 445 5.217 -1.374 11.648 1.00 22.15 H new ATOM 0 HB2 LEU A 445 4.194 0.367 9.511 1.00 15.33 H new ATOM 0 HB3 LEU A 445 2.961 -0.053 10.683 1.00 15.33 H new ATOM 0 HG LEU A 445 5.615 0.954 11.658 1.00 22.20 H new ATOM 0 HD11 LEU A 445 4.778 3.268 11.513 1.00 34.41 H new ATOM 0 HD12 LEU A 445 4.974 2.534 9.903 1.00 34.41 H new ATOM 0 HD13 LEU A 445 3.352 2.691 10.618 1.00 34.41 H new ATOM 0 HD21 LEU A 445 4.206 1.870 13.462 1.00 62.24 H new ATOM 0 HD22 LEU A 445 2.757 1.237 12.645 1.00 62.24 H new ATOM 0 HD23 LEU A 445 3.984 0.114 13.277 1.00 62.24 H new ATOM 489 N LEU A 446 3.107 -2.814 9.576 1.00 1.42 N ATOM 490 CA LEU A 446 2.065 -3.830 9.479 1.00 22.43 C ATOM 491 C LEU A 446 2.634 -5.220 9.754 1.00 2.34 C ATOM 492 O LEU A 446 1.897 -6.147 10.088 1.00 72.23 O ATOM 493 CB LEU A 446 1.420 -3.797 8.093 1.00 2.31 C ATOM 494 CG LEU A 446 0.147 -2.959 7.966 1.00 13.22 C ATOM 495 CD1 LEU A 446 -0.373 -2.990 6.537 1.00 11.15 C ATOM 496 CD2 LEU A 446 -0.918 -3.458 8.933 1.00 20.01 C ATOM 0 H LEU A 446 3.429 -2.453 8.678 1.00 1.42 H new ATOM 0 HA LEU A 446 1.307 -3.611 10.231 1.00 22.43 H new ATOM 0 HB2 LEU A 446 2.154 -3.418 7.382 1.00 2.31 H new ATOM 0 HB3 LEU A 446 1.189 -4.820 7.797 1.00 2.31 H new ATOM 0 HG LEU A 446 0.388 -1.927 8.221 1.00 13.22 H new ATOM 0 HD11 LEU A 446 -1.279 -2.388 6.466 1.00 11.15 H new ATOM 0 HD12 LEU A 446 0.384 -2.586 5.865 1.00 11.15 H new ATOM 0 HD13 LEU A 446 -0.597 -4.018 6.254 1.00 11.15 H new ATOM 0 HD21 LEU A 446 -1.817 -2.850 8.829 1.00 20.01 H new ATOM 0 HD22 LEU A 446 -1.155 -4.498 8.708 1.00 20.01 H new ATOM 0 HD23 LEU A 446 -0.546 -3.383 9.955 1.00 20.01 H new ATOM 508 N SER A 447 3.948 -5.354 9.613 1.00 63.21 N ATOM 509 CA SER A 447 4.616 -6.629 9.845 1.00 73.23 C ATOM 510 C SER A 447 4.977 -6.794 11.317 1.00 25.12 C ATOM 511 O SER A 447 5.210 -7.907 11.790 1.00 64.44 O ATOM 512 CB SER A 447 5.875 -6.735 8.983 1.00 2.22 C ATOM 513 OG SER A 447 6.517 -7.985 9.166 1.00 54.22 O ATOM 0 H SER A 447 4.572 -4.595 9.339 1.00 63.21 H new ATOM 0 HA SER A 447 3.927 -7.427 9.567 1.00 73.23 H new ATOM 0 HB2 SER A 447 5.612 -6.609 7.933 1.00 2.22 H new ATOM 0 HB3 SER A 447 6.563 -5.929 9.238 1.00 2.22 H new ATOM 0 HG SER A 447 7.318 -8.027 8.603 1.00 54.22 H new ATOM 519 N GLU A 448 5.024 -5.678 12.037 1.00 51.41 N ATOM 520 CA GLU A 448 5.359 -5.698 13.456 1.00 41.03 C ATOM 521 C GLU A 448 4.347 -6.528 14.242 1.00 22.11 C ATOM 522 O GLU A 448 4.617 -6.951 15.366 1.00 32.11 O ATOM 523 CB GLU A 448 5.407 -4.273 14.012 1.00 51.32 C ATOM 524 CG GLU A 448 6.773 -3.619 13.894 1.00 3.44 C ATOM 525 CD GLU A 448 7.619 -3.809 15.138 1.00 3.03 C ATOM 526 OE1 GLU A 448 7.076 -3.659 16.252 1.00 14.24 O ATOM 527 OE2 GLU A 448 8.824 -4.105 14.998 1.00 75.42 O ATOM 0 H GLU A 448 4.834 -4.749 11.661 1.00 51.41 H new ATOM 0 HA GLU A 448 6.342 -6.156 13.564 1.00 41.03 H new ATOM 0 HB2 GLU A 448 4.674 -3.662 13.485 1.00 51.32 H new ATOM 0 HB3 GLU A 448 5.112 -4.291 15.061 1.00 51.32 H new ATOM 0 HG2 GLU A 448 7.298 -4.036 13.035 1.00 3.44 H new ATOM 0 HG3 GLU A 448 6.646 -2.553 13.704 1.00 3.44 H new ATOM 534 N GLN A 449 3.184 -6.755 13.642 1.00 50.30 N ATOM 535 CA GLN A 449 2.132 -7.534 14.286 1.00 11.55 C ATOM 536 C GLN A 449 1.931 -8.869 13.577 1.00 50.30 C ATOM 537 O GLN A 449 1.845 -9.916 14.216 1.00 15.44 O ATOM 538 CB GLN A 449 0.821 -6.746 14.298 1.00 72.54 C ATOM 539 CG GLN A 449 0.666 -5.805 13.115 1.00 75.45 C ATOM 540 CD GLN A 449 1.224 -4.423 13.390 1.00 1.14 C ATOM 541 OE1 GLN A 449 2.161 -4.265 14.173 1.00 23.42 O ATOM 542 NE2 GLN A 449 0.650 -3.413 12.748 1.00 15.41 N ATOM 0 H GLN A 449 2.946 -6.411 12.712 1.00 50.30 H new ATOM 0 HA GLN A 449 2.438 -7.733 15.313 1.00 11.55 H new ATOM 0 HB2 GLN A 449 -0.014 -7.446 14.306 1.00 72.54 H new ATOM 0 HB3 GLN A 449 0.762 -6.169 15.221 1.00 72.54 H new ATOM 0 HG2 GLN A 449 1.172 -6.231 12.249 1.00 75.45 H new ATOM 0 HG3 GLN A 449 -0.390 -5.722 12.858 1.00 75.45 H new ATOM 0 HE21 GLN A 449 -0.124 -3.590 12.108 1.00 15.41 H new ATOM 0 HE22 GLN A 449 0.983 -2.460 12.895 1.00 15.41 H new ATOM 551 N GLY A 450 1.857 -8.824 12.250 1.00 41.51 N ATOM 552 CA GLY A 450 1.666 -10.037 11.476 1.00 3.24 C ATOM 553 C GLY A 450 0.829 -9.806 10.234 1.00 62.33 C ATOM 554 O GLY A 450 0.745 -10.674 9.364 1.00 42.50 O ATOM 0 H GLY A 450 1.926 -7.969 11.697 1.00 41.51 H new ATOM 0 HA2 GLY A 450 2.638 -10.436 11.186 1.00 3.24 H new ATOM 0 HA3 GLY A 450 1.185 -10.790 12.100 1.00 3.24 H new ATOM 558 N ILE A 451 0.208 -8.634 10.150 1.00 12.30 N ATOM 559 CA ILE A 451 -0.627 -8.293 9.006 1.00 74.32 C ATOM 560 C ILE A 451 0.095 -8.580 7.694 1.00 72.10 C ATOM 561 O ILE A 451 -0.213 -9.552 7.004 1.00 51.13 O ATOM 562 CB ILE A 451 -1.045 -6.811 9.035 1.00 10.20 C ATOM 563 CG1 ILE A 451 -1.673 -6.463 10.387 1.00 42.24 C ATOM 564 CG2 ILE A 451 -2.015 -6.512 7.901 1.00 4.13 C ATOM 565 CD1 ILE A 451 -2.836 -7.356 10.761 1.00 25.24 C ATOM 0 H ILE A 451 0.268 -7.905 10.861 1.00 12.30 H new ATOM 0 HA ILE A 451 -1.520 -8.915 9.071 1.00 74.32 H new ATOM 0 HB ILE A 451 -0.156 -6.195 8.898 1.00 10.20 H new ATOM 0 HG12 ILE A 451 -0.909 -6.531 11.162 1.00 42.24 H new ATOM 0 HG13 ILE A 451 -2.013 -5.428 10.365 1.00 42.24 H new ATOM 0 HG21 ILE A 451 -2.301 -5.461 7.935 1.00 4.13 H new ATOM 0 HG22 ILE A 451 -1.536 -6.727 6.946 1.00 4.13 H new ATOM 0 HG23 ILE A 451 -2.904 -7.134 8.009 1.00 4.13 H new ATOM 0 HD11 ILE A 451 -3.231 -7.052 11.730 1.00 25.24 H new ATOM 0 HD12 ILE A 451 -3.618 -7.270 10.007 1.00 25.24 H new ATOM 0 HD13 ILE A 451 -2.497 -8.391 10.816 1.00 25.24 H new ATOM 577 N MET A 452 1.058 -7.729 7.356 1.00 11.14 N ATOM 578 CA MET A 452 1.827 -7.893 6.128 1.00 53.44 C ATOM 579 C MET A 452 0.903 -8.129 4.936 1.00 41.21 C ATOM 580 O MET A 452 0.877 -9.218 4.364 1.00 73.30 O ATOM 581 CB MET A 452 2.807 -9.059 6.266 1.00 33.40 C ATOM 582 CG MET A 452 4.156 -8.655 6.837 1.00 63.20 C ATOM 583 SD MET A 452 5.539 -9.288 5.869 1.00 73.03 S ATOM 584 CE MET A 452 6.004 -10.719 6.840 1.00 32.22 C ATOM 0 H MET A 452 1.324 -6.919 7.915 1.00 11.14 H new ATOM 0 HA MET A 452 2.388 -6.975 5.955 1.00 53.44 H new ATOM 0 HB2 MET A 452 2.364 -9.821 6.907 1.00 33.40 H new ATOM 0 HB3 MET A 452 2.958 -9.514 5.287 1.00 33.40 H new ATOM 0 HG2 MET A 452 4.216 -7.568 6.881 1.00 63.20 H new ATOM 0 HG3 MET A 452 4.237 -9.021 7.861 1.00 63.20 H new ATOM 0 HE1 MET A 452 6.850 -11.219 6.369 1.00 32.22 H new ATOM 0 HE2 MET A 452 6.284 -10.402 7.845 1.00 32.22 H new ATOM 0 HE3 MET A 452 5.162 -11.408 6.899 1.00 32.22 H new ATOM 594 N VAL A 453 0.146 -7.100 4.568 1.00 22.00 N ATOM 595 CA VAL A 453 -0.777 -7.195 3.443 1.00 14.30 C ATOM 596 C VAL A 453 -0.300 -6.351 2.267 1.00 50.31 C ATOM 597 O VAL A 453 -0.330 -6.794 1.120 1.00 31.41 O ATOM 598 CB VAL A 453 -2.195 -6.744 3.843 1.00 40.11 C ATOM 599 CG1 VAL A 453 -2.907 -7.843 4.616 1.00 14.02 C ATOM 600 CG2 VAL A 453 -2.136 -5.460 4.657 1.00 73.44 C ATOM 0 H VAL A 453 0.154 -6.192 5.032 1.00 22.00 H new ATOM 0 HA VAL A 453 -0.806 -8.243 3.145 1.00 14.30 H new ATOM 0 HB VAL A 453 -2.764 -6.545 2.935 1.00 40.11 H new ATOM 0 HG11 VAL A 453 -3.907 -7.506 4.890 1.00 14.02 H new ATOM 0 HG12 VAL A 453 -2.982 -8.735 3.994 1.00 14.02 H new ATOM 0 HG13 VAL A 453 -2.343 -8.077 5.519 1.00 14.02 H new ATOM 0 HG21 VAL A 453 -3.146 -5.156 4.931 1.00 73.44 H new ATOM 0 HG22 VAL A 453 -1.550 -5.629 5.561 1.00 73.44 H new ATOM 0 HG23 VAL A 453 -1.669 -4.674 4.063 1.00 73.44 H new ATOM 610 N ALA A 454 0.139 -5.131 2.560 1.00 34.32 N ATOM 611 CA ALA A 454 0.626 -4.226 1.527 1.00 51.34 C ATOM 612 C ALA A 454 1.638 -4.919 0.622 1.00 21.31 C ATOM 613 O ALA A 454 1.777 -4.570 -0.551 1.00 32.12 O ATOM 614 CB ALA A 454 1.241 -2.986 2.159 1.00 34.14 C ATOM 0 H ALA A 454 0.167 -4.747 3.505 1.00 34.32 H new ATOM 0 HA ALA A 454 -0.223 -3.924 0.913 1.00 51.34 H new ATOM 0 HB1 ALA A 454 1.601 -2.319 1.376 1.00 34.14 H new ATOM 0 HB2 ALA A 454 0.489 -2.471 2.757 1.00 34.14 H new ATOM 0 HB3 ALA A 454 2.075 -3.278 2.798 1.00 34.14 H new ATOM 620 N ARG A 455 2.344 -5.901 1.173 1.00 14.35 N ATOM 621 CA ARG A 455 3.345 -6.642 0.416 1.00 4.35 C ATOM 622 C ARG A 455 2.772 -7.130 -0.911 1.00 53.14 C ATOM 623 O ARG A 455 3.203 -6.702 -1.981 1.00 2.41 O ATOM 624 CB ARG A 455 3.857 -7.830 1.232 1.00 63.35 C ATOM 625 CG ARG A 455 4.977 -8.599 0.550 1.00 20.04 C ATOM 626 CD ARG A 455 5.003 -10.054 0.992 1.00 14.21 C ATOM 627 NE ARG A 455 4.587 -10.957 -0.078 1.00 35.04 N ATOM 628 CZ ARG A 455 4.500 -12.276 0.066 1.00 4.01 C ATOM 629 NH1 ARG A 455 4.798 -12.839 1.228 1.00 34.24 N ATOM 630 NH2 ARG A 455 4.115 -13.031 -0.954 1.00 0.21 N ATOM 0 H ARG A 455 2.241 -6.202 2.142 1.00 14.35 H new ATOM 0 HA ARG A 455 4.177 -5.970 0.207 1.00 4.35 H new ATOM 0 HB2 ARG A 455 4.210 -7.471 2.199 1.00 63.35 H new ATOM 0 HB3 ARG A 455 3.028 -8.510 1.428 1.00 63.35 H new ATOM 0 HG2 ARG A 455 4.849 -8.548 -0.531 1.00 20.04 H new ATOM 0 HG3 ARG A 455 5.934 -8.131 0.780 1.00 20.04 H new ATOM 0 HD2 ARG A 455 6.010 -10.316 1.317 1.00 14.21 H new ATOM 0 HD3 ARG A 455 4.346 -10.184 1.852 1.00 14.21 H new ATOM 0 HE ARG A 455 4.350 -10.554 -0.985 1.00 35.04 H new ATOM 0 HH11 ARG A 455 5.095 -12.260 2.014 1.00 34.24 H new ATOM 0 HH12 ARG A 455 4.731 -13.851 1.337 1.00 34.24 H new ATOM 0 HH21 ARG A 455 3.885 -12.600 -1.849 1.00 0.21 H new ATOM 0 HH22 ARG A 455 4.048 -14.043 -0.843 1.00 0.21 H new ATOM 644 N ARG A 456 1.797 -8.030 -0.832 1.00 53.50 N ATOM 645 CA ARG A 456 1.165 -8.579 -2.026 1.00 63.03 C ATOM 646 C ARG A 456 0.022 -7.683 -2.496 1.00 71.32 C ATOM 647 O ARG A 456 -0.244 -7.575 -3.694 1.00 70.14 O ATOM 648 CB ARG A 456 0.641 -9.990 -1.749 1.00 45.43 C ATOM 649 CG ARG A 456 0.385 -10.801 -3.009 1.00 35.41 C ATOM 650 CD ARG A 456 -1.036 -10.608 -3.516 1.00 35.24 C ATOM 651 NE ARG A 456 -1.907 -11.718 -3.135 1.00 42.53 N ATOM 652 CZ ARG A 456 -3.233 -11.634 -3.108 1.00 54.21 C ATOM 653 NH1 ARG A 456 -3.836 -10.501 -3.438 1.00 43.31 N ATOM 654 NH2 ARG A 456 -3.958 -12.686 -2.750 1.00 62.11 N ATOM 0 H ARG A 456 1.428 -8.394 0.046 1.00 53.50 H new ATOM 0 HA ARG A 456 1.915 -8.626 -2.815 1.00 63.03 H new ATOM 0 HB2 ARG A 456 1.361 -10.520 -1.125 1.00 45.43 H new ATOM 0 HB3 ARG A 456 -0.285 -9.919 -1.178 1.00 45.43 H new ATOM 0 HG2 ARG A 456 1.092 -10.505 -3.784 1.00 35.41 H new ATOM 0 HG3 ARG A 456 0.559 -11.857 -2.805 1.00 35.41 H new ATOM 0 HD2 ARG A 456 -1.440 -9.677 -3.118 1.00 35.24 H new ATOM 0 HD3 ARG A 456 -1.024 -10.512 -4.602 1.00 35.24 H new ATOM 0 HE ARG A 456 -1.474 -12.604 -2.876 1.00 42.53 H new ATOM 0 HH11 ARG A 456 -3.282 -9.690 -3.714 1.00 43.31 H new ATOM 0 HH12 ARG A 456 -4.854 -10.440 -3.416 1.00 43.31 H new ATOM 0 HH21 ARG A 456 -3.498 -13.560 -2.495 1.00 62.11 H new ATOM 0 HH22 ARG A 456 -4.976 -12.621 -2.729 1.00 62.11 H new ATOM 668 N THR A 457 -0.652 -7.043 -1.546 1.00 20.55 N ATOM 669 CA THR A 457 -1.766 -6.159 -1.862 1.00 51.30 C ATOM 670 C THR A 457 -1.326 -5.029 -2.786 1.00 4.52 C ATOM 671 O THR A 457 -1.802 -4.915 -3.916 1.00 12.14 O ATOM 672 CB THR A 457 -2.383 -5.555 -0.587 1.00 43.31 C ATOM 673 OG1 THR A 457 -3.075 -6.568 0.151 1.00 60.14 O ATOM 674 CG2 THR A 457 -3.344 -4.427 -0.932 1.00 65.10 C ATOM 0 H THR A 457 -0.445 -7.121 -0.550 1.00 20.55 H new ATOM 0 HA THR A 457 -2.518 -6.766 -2.367 1.00 51.30 H new ATOM 0 HB THR A 457 -1.575 -5.150 0.023 1.00 43.31 H new ATOM 0 HG1 THR A 457 -2.445 -7.028 0.745 1.00 60.14 H new ATOM 0 HG21 THR A 457 -3.767 -4.016 -0.015 1.00 65.10 H new ATOM 0 HG22 THR A 457 -2.808 -3.643 -1.467 1.00 65.10 H new ATOM 0 HG23 THR A 457 -4.146 -4.812 -1.561 1.00 65.10 H new ATOM 682 N VAL A 458 -0.415 -4.193 -2.298 1.00 25.42 N ATOM 683 CA VAL A 458 0.092 -3.072 -3.081 1.00 54.31 C ATOM 684 C VAL A 458 0.547 -3.527 -4.462 1.00 0.20 C ATOM 685 O VAL A 458 0.211 -2.910 -5.473 1.00 11.41 O ATOM 686 CB VAL A 458 1.266 -2.375 -2.369 1.00 14.23 C ATOM 687 CG1 VAL A 458 1.803 -1.233 -3.217 1.00 50.25 C ATOM 688 CG2 VAL A 458 0.836 -1.875 -0.998 1.00 14.14 C ATOM 0 H VAL A 458 -0.013 -4.271 -1.364 1.00 25.42 H new ATOM 0 HA VAL A 458 -0.730 -2.364 -3.188 1.00 54.31 H new ATOM 0 HB VAL A 458 2.067 -3.101 -2.231 1.00 14.23 H new ATOM 0 HG11 VAL A 458 2.632 -0.753 -2.697 1.00 50.25 H new ATOM 0 HG12 VAL A 458 2.151 -1.623 -4.174 1.00 50.25 H new ATOM 0 HG13 VAL A 458 1.011 -0.504 -3.389 1.00 50.25 H new ATOM 0 HG21 VAL A 458 1.678 -1.385 -0.509 1.00 14.14 H new ATOM 0 HG22 VAL A 458 0.018 -1.164 -1.110 1.00 14.14 H new ATOM 0 HG23 VAL A 458 0.504 -2.717 -0.391 1.00 14.14 H new ATOM 698 N ALA A 459 1.315 -4.612 -4.498 1.00 65.13 N ATOM 699 CA ALA A 459 1.814 -5.151 -5.757 1.00 32.44 C ATOM 700 C ALA A 459 0.684 -5.337 -6.762 1.00 63.21 C ATOM 701 O ALA A 459 0.865 -5.124 -7.962 1.00 74.35 O ATOM 702 CB ALA A 459 2.531 -6.472 -5.517 1.00 21.04 C ATOM 0 H ALA A 459 1.604 -5.134 -3.671 1.00 65.13 H new ATOM 0 HA ALA A 459 2.522 -4.435 -6.175 1.00 32.44 H new ATOM 0 HB1 ALA A 459 2.899 -6.864 -6.465 1.00 21.04 H new ATOM 0 HB2 ALA A 459 3.370 -6.313 -4.840 1.00 21.04 H new ATOM 0 HB3 ALA A 459 1.838 -7.187 -5.073 1.00 21.04 H new ATOM 708 N LYS A 460 -0.483 -5.734 -6.268 1.00 15.33 N ATOM 709 CA LYS A 460 -1.644 -5.947 -7.122 1.00 72.04 C ATOM 710 C LYS A 460 -2.135 -4.630 -7.714 1.00 51.31 C ATOM 711 O LYS A 460 -2.607 -4.585 -8.850 1.00 35.04 O ATOM 712 CB LYS A 460 -2.772 -6.613 -6.329 1.00 71.02 C ATOM 713 CG LYS A 460 -3.064 -8.038 -6.767 1.00 70.14 C ATOM 714 CD LYS A 460 -3.692 -8.079 -8.151 1.00 14.44 C ATOM 715 CE LYS A 460 -3.317 -9.350 -8.896 1.00 33.13 C ATOM 716 NZ LYS A 460 -4.192 -9.578 -10.079 1.00 34.43 N ATOM 0 H LYS A 460 -0.650 -5.915 -5.278 1.00 15.33 H new ATOM 0 HA LYS A 460 -1.345 -6.603 -7.939 1.00 72.04 H new ATOM 0 HB2 LYS A 460 -2.510 -6.613 -5.271 1.00 71.02 H new ATOM 0 HB3 LYS A 460 -3.679 -6.017 -6.433 1.00 71.02 H new ATOM 0 HG2 LYS A 460 -2.140 -8.616 -6.769 1.00 70.14 H new ATOM 0 HG3 LYS A 460 -3.734 -8.510 -6.048 1.00 70.14 H new ATOM 0 HD2 LYS A 460 -4.776 -8.015 -8.062 1.00 14.44 H new ATOM 0 HD3 LYS A 460 -3.368 -7.211 -8.725 1.00 14.44 H new ATOM 0 HE2 LYS A 460 -2.278 -9.288 -9.219 1.00 33.13 H new ATOM 0 HE3 LYS A 460 -3.390 -10.202 -8.220 1.00 33.13 H new ATOM 0 HZ1 LYS A 460 -3.904 -10.454 -10.560 1.00 34.43 H new ATOM 0 HZ2 LYS A 460 -5.181 -9.662 -9.768 1.00 34.43 H new ATOM 0 HZ3 LYS A 460 -4.103 -8.777 -10.736 1.00 34.43 H new ATOM 730 N TYR A 461 -2.018 -3.559 -6.936 1.00 53.25 N ATOM 731 CA TYR A 461 -2.451 -2.239 -7.383 1.00 33.30 C ATOM 732 C TYR A 461 -1.393 -1.590 -8.270 1.00 33.05 C ATOM 733 O TYR A 461 -1.711 -0.809 -9.165 1.00 65.35 O ATOM 734 CB TYR A 461 -2.746 -1.342 -6.180 1.00 21.43 C ATOM 735 CG TYR A 461 -3.925 -1.804 -5.354 1.00 74.12 C ATOM 736 CD1 TYR A 461 -5.167 -2.018 -5.939 1.00 12.55 C ATOM 737 CD2 TYR A 461 -3.795 -2.029 -3.989 1.00 52.24 C ATOM 738 CE1 TYR A 461 -6.247 -2.439 -5.187 1.00 63.00 C ATOM 739 CE2 TYR A 461 -4.869 -2.452 -3.230 1.00 53.42 C ATOM 740 CZ TYR A 461 -6.094 -2.655 -3.833 1.00 22.53 C ATOM 741 OH TYR A 461 -7.166 -3.076 -3.082 1.00 54.13 O ATOM 0 H TYR A 461 -1.628 -3.579 -5.994 1.00 53.25 H new ATOM 0 HA TYR A 461 -3.363 -2.362 -7.968 1.00 33.30 H new ATOM 0 HB2 TYR A 461 -1.862 -1.300 -5.544 1.00 21.43 H new ATOM 0 HB3 TYR A 461 -2.935 -0.328 -6.532 1.00 21.43 H new ATOM 0 HD1 TYR A 461 -5.290 -1.853 -6.999 1.00 12.55 H new ATOM 0 HD2 TYR A 461 -2.838 -1.871 -3.513 1.00 52.24 H new ATOM 0 HE1 TYR A 461 -7.206 -2.598 -5.657 1.00 63.00 H new ATOM 0 HE2 TYR A 461 -4.751 -2.623 -2.170 1.00 53.42 H new ATOM 0 HH TYR A 461 -6.890 -3.182 -2.148 1.00 54.13 H new ATOM 751 N ARG A 462 -0.131 -1.922 -8.012 1.00 62.11 N ATOM 752 CA ARG A 462 0.976 -1.371 -8.785 1.00 35.23 C ATOM 753 C ARG A 462 0.889 -1.808 -10.245 1.00 3.05 C ATOM 754 O ARG A 462 1.043 -0.996 -11.155 1.00 44.23 O ATOM 755 CB ARG A 462 2.312 -1.813 -8.187 1.00 3.02 C ATOM 756 CG ARG A 462 3.511 -1.475 -9.058 1.00 4.20 C ATOM 757 CD ARG A 462 3.665 0.028 -9.236 1.00 34.34 C ATOM 758 NE ARG A 462 3.680 0.731 -7.956 1.00 23.20 N ATOM 759 CZ ARG A 462 3.534 2.046 -7.839 1.00 15.31 C ATOM 760 NH1 ARG A 462 3.361 2.796 -8.918 1.00 12.51 N ATOM 761 NH2 ARG A 462 3.558 2.613 -6.639 1.00 31.30 N ATOM 0 H ARG A 462 0.149 -2.569 -7.275 1.00 62.11 H new ATOM 0 HA ARG A 462 0.910 -0.284 -8.745 1.00 35.23 H new ATOM 0 HB2 ARG A 462 2.438 -1.342 -7.212 1.00 3.02 H new ATOM 0 HB3 ARG A 462 2.287 -2.890 -8.020 1.00 3.02 H new ATOM 0 HG2 ARG A 462 4.416 -1.884 -8.608 1.00 4.20 H new ATOM 0 HG3 ARG A 462 3.398 -1.948 -10.033 1.00 4.20 H new ATOM 0 HD2 ARG A 462 4.589 0.237 -9.775 1.00 34.34 H new ATOM 0 HD3 ARG A 462 2.846 0.407 -9.848 1.00 34.34 H new ATOM 0 HE ARG A 462 3.810 0.182 -7.106 1.00 23.20 H new ATOM 0 HH11 ARG A 462 3.340 2.364 -9.842 1.00 12.51 H new ATOM 0 HH12 ARG A 462 3.249 3.806 -8.825 1.00 12.51 H new ATOM 0 HH21 ARG A 462 3.689 2.039 -5.806 1.00 31.30 H new ATOM 0 HH22 ARG A 462 3.446 3.623 -6.550 1.00 31.30 H new ATOM 775 N GLU A 463 0.645 -3.097 -10.458 1.00 13.21 N ATOM 776 CA GLU A 463 0.540 -3.642 -11.807 1.00 1.50 C ATOM 777 C GLU A 463 -0.627 -3.010 -12.559 1.00 22.23 C ATOM 778 O GLU A 463 -0.574 -2.839 -13.777 1.00 72.04 O ATOM 779 CB GLU A 463 0.365 -5.161 -11.755 1.00 21.33 C ATOM 780 CG GLU A 463 1.613 -5.902 -11.304 1.00 32.02 C ATOM 781 CD GLU A 463 1.638 -7.343 -11.776 1.00 24.35 C ATOM 782 OE1 GLU A 463 0.564 -7.870 -12.134 1.00 2.54 O ATOM 783 OE2 GLU A 463 2.734 -7.943 -11.787 1.00 35.44 O ATOM 0 H GLU A 463 0.516 -3.783 -9.714 1.00 13.21 H new ATOM 0 HA GLU A 463 1.462 -3.408 -12.339 1.00 1.50 H new ATOM 0 HB2 GLU A 463 -0.455 -5.401 -11.078 1.00 21.33 H new ATOM 0 HB3 GLU A 463 0.077 -5.519 -12.743 1.00 21.33 H new ATOM 0 HG2 GLU A 463 2.495 -5.384 -11.682 1.00 32.02 H new ATOM 0 HG3 GLU A 463 1.672 -5.879 -10.216 1.00 32.02 H new ATOM 790 N SER A 464 -1.680 -2.665 -11.824 1.00 61.45 N ATOM 791 CA SER A 464 -2.862 -2.056 -12.423 1.00 74.11 C ATOM 792 C SER A 464 -3.012 -0.606 -11.974 1.00 65.00 C ATOM 793 O SER A 464 -4.084 -0.185 -11.538 1.00 73.15 O ATOM 794 CB SER A 464 -4.116 -2.849 -12.047 1.00 62.43 C ATOM 795 OG SER A 464 -3.870 -4.244 -12.093 1.00 23.54 O ATOM 0 H SER A 464 -1.739 -2.797 -10.814 1.00 61.45 H new ATOM 0 HA SER A 464 -2.740 -2.073 -13.506 1.00 74.11 H new ATOM 0 HB2 SER A 464 -4.442 -2.567 -11.046 1.00 62.43 H new ATOM 0 HB3 SER A 464 -4.928 -2.597 -12.729 1.00 62.43 H new ATOM 0 HG SER A 464 -4.686 -4.728 -11.847 1.00 23.54 H new ATOM 801 N LEU A 465 -1.929 0.155 -12.086 1.00 51.43 N ATOM 802 CA LEU A 465 -1.938 1.561 -11.692 1.00 60.32 C ATOM 803 C LEU A 465 -3.016 2.330 -12.447 1.00 43.35 C ATOM 804 O LEU A 465 -3.784 3.087 -11.852 1.00 43.13 O ATOM 805 CB LEU A 465 -0.569 2.191 -11.951 1.00 23.41 C ATOM 806 CG LEU A 465 0.080 1.858 -13.296 1.00 41.31 C ATOM 807 CD1 LEU A 465 0.218 3.111 -14.147 1.00 71.44 C ATOM 808 CD2 LEU A 465 1.437 1.203 -13.085 1.00 10.13 C ATOM 0 H LEU A 465 -1.034 -0.177 -12.446 1.00 51.43 H new ATOM 0 HA LEU A 465 -2.160 1.614 -10.626 1.00 60.32 H new ATOM 0 HB2 LEU A 465 -0.670 3.274 -11.877 1.00 23.41 H new ATOM 0 HB3 LEU A 465 0.109 1.879 -11.156 1.00 23.41 H new ATOM 0 HG LEU A 465 -0.563 1.154 -13.824 1.00 41.31 H new ATOM 0 HD11 LEU A 465 0.682 2.855 -15.100 1.00 71.44 H new ATOM 0 HD12 LEU A 465 -0.768 3.539 -14.327 1.00 71.44 H new ATOM 0 HD13 LEU A 465 0.840 3.839 -13.625 1.00 71.44 H new ATOM 0 HD21 LEU A 465 1.884 0.973 -14.052 1.00 10.13 H new ATOM 0 HD22 LEU A 465 2.088 1.884 -12.537 1.00 10.13 H new ATOM 0 HD23 LEU A 465 1.312 0.282 -12.515 1.00 10.13 H new