USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 418 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 404 SER OG : rot 35:sc= 0.105 USER MOD Single : A 405 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 418 GLN : amide:sc= 0.852 K(o=0.85,f=-0.26) USER MOD Single : A 419 SER OG : rot 180:sc= 0.00333 USER MOD Single : A 437 MET CE :methyl 161:sc= -0.267 (180deg=-0.88) USER MOD Single : A 439 GLN : amide:sc= -0.0389 X(o=-0.039,f=-0.026) USER MOD Single : A 442 HIS : no HD1:sc= -1.21 K(o=-1.2,f=0.35) USER MOD Single : A 443 TYR OH : rot 180:sc= 0 USER MOD Single : A 445 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 446 TYR OH : rot 180:sc= 0 USER MOD Single : A 462 CYS SG : rot 67:sc= 1.24 USER MOD Single : A 463 GLN : amide:sc= -0.037 X(o=-0.037,f=-0.037) USER MOD Single : A 466 SER OG : rot 180:sc= 0 USER MOD Single : A 467 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD ----------------------------------------------------------------- ATOM 10 N SER A 404 2.156 4.536 -4.123 1.00 31.03 N ATOM 11 CA SER A 404 1.738 3.473 -3.241 1.00 75.42 C ATOM 12 C SER A 404 1.875 3.873 -1.761 1.00 73.15 C ATOM 13 O SER A 404 1.627 3.073 -0.874 1.00 13.44 O ATOM 14 CB SER A 404 2.539 2.206 -3.546 1.00 52.03 C ATOM 15 OG SER A 404 2.363 1.820 -4.907 1.00 34.03 O ATOM 0 HA SER A 404 0.681 3.276 -3.418 1.00 75.42 H new ATOM 0 HB2 SER A 404 3.596 2.380 -3.345 1.00 52.03 H new ATOM 0 HB3 SER A 404 2.218 1.398 -2.888 1.00 52.03 H new ATOM 0 HG SER A 404 2.285 2.621 -5.467 1.00 34.03 H new ATOM 21 N LYS A 405 2.229 5.127 -1.507 1.00 63.01 N ATOM 22 CA LYS A 405 2.399 5.604 -0.138 1.00 53.21 C ATOM 23 C LYS A 405 1.066 5.878 0.528 1.00 41.00 C ATOM 24 O LYS A 405 0.900 5.660 1.724 1.00 25.33 O ATOM 25 CB LYS A 405 3.243 6.869 -0.095 1.00 3.45 C ATOM 26 CG LYS A 405 4.667 6.686 -0.560 1.00 61.35 C ATOM 27 CD LYS A 405 5.433 7.989 -0.514 1.00 63.31 C ATOM 28 CE LYS A 405 5.456 8.587 0.886 1.00 51.54 C ATOM 29 NZ LYS A 405 6.220 9.846 0.935 1.00 63.20 N ATOM 0 H LYS A 405 2.403 5.829 -2.226 1.00 63.01 H new ATOM 0 HA LYS A 405 2.910 4.810 0.406 1.00 53.21 H new ATOM 0 HB2 LYS A 405 2.767 7.630 -0.714 1.00 3.45 H new ATOM 0 HB3 LYS A 405 3.253 7.249 0.926 1.00 3.45 H new ATOM 0 HG2 LYS A 405 5.165 5.947 0.068 1.00 61.35 H new ATOM 0 HG3 LYS A 405 4.672 6.295 -1.577 1.00 61.35 H new ATOM 0 HD2 LYS A 405 6.455 7.821 -0.853 1.00 63.31 H new ATOM 0 HD3 LYS A 405 4.980 8.700 -1.205 1.00 63.31 H new ATOM 0 HE2 LYS A 405 4.434 8.769 1.219 1.00 51.54 H new ATOM 0 HE3 LYS A 405 5.894 7.870 1.580 1.00 51.54 H new ATOM 0 HZ1 LYS A 405 6.211 10.220 1.905 1.00 63.20 H new ATOM 0 HZ2 LYS A 405 7.202 9.668 0.642 1.00 63.20 H new ATOM 0 HZ3 LYS A 405 5.787 10.540 0.293 1.00 63.20 H new ATOM 43 N ILE A 406 0.116 6.345 -0.247 1.00 62.15 N ATOM 44 CA ILE A 406 -1.187 6.703 0.289 1.00 11.25 C ATOM 45 C ILE A 406 -2.117 5.467 0.326 1.00 13.22 C ATOM 46 O ILE A 406 -3.194 5.487 0.925 1.00 63.23 O ATOM 47 CB ILE A 406 -1.820 7.874 -0.535 1.00 34.42 C ATOM 48 CG1 ILE A 406 -3.110 8.388 0.127 1.00 35.34 C ATOM 49 CG2 ILE A 406 -2.084 7.438 -1.981 1.00 45.23 C ATOM 50 CD1 ILE A 406 -3.736 9.575 -0.570 1.00 23.42 C ATOM 0 H ILE A 406 0.215 6.488 -1.252 1.00 62.15 H new ATOM 0 HA ILE A 406 -1.059 7.052 1.313 1.00 11.25 H new ATOM 0 HB ILE A 406 -1.105 8.697 -0.551 1.00 34.42 H new ATOM 0 HG12 ILE A 406 -3.836 7.576 0.160 1.00 35.34 H new ATOM 0 HG13 ILE A 406 -2.891 8.661 1.159 1.00 35.34 H new ATOM 0 HG21 ILE A 406 -2.524 8.266 -2.536 1.00 45.23 H new ATOM 0 HG22 ILE A 406 -1.145 7.145 -2.450 1.00 45.23 H new ATOM 0 HG23 ILE A 406 -2.771 6.592 -1.986 1.00 45.23 H new ATOM 0 HD11 ILE A 406 -4.640 9.873 -0.039 1.00 23.42 H new ATOM 0 HD12 ILE A 406 -3.030 10.405 -0.580 1.00 23.42 H new ATOM 0 HD13 ILE A 406 -3.990 9.303 -1.594 1.00 23.42 H new ATOM 62 N GLU A 407 -1.660 4.385 -0.271 1.00 15.53 N ATOM 63 CA GLU A 407 -2.427 3.151 -0.338 1.00 24.22 C ATOM 64 C GLU A 407 -2.688 2.542 1.050 1.00 71.51 C ATOM 65 O GLU A 407 -3.843 2.308 1.403 1.00 5.04 O ATOM 66 CB GLU A 407 -1.789 2.148 -1.300 1.00 15.02 C ATOM 67 CG GLU A 407 -1.812 2.600 -2.739 1.00 73.13 C ATOM 68 CD GLU A 407 -3.222 2.790 -3.237 1.00 52.42 C ATOM 69 OE1 GLU A 407 -3.664 3.942 -3.361 1.00 15.31 O ATOM 70 OE2 GLU A 407 -3.913 1.777 -3.471 1.00 32.51 O ATOM 0 H GLU A 407 -0.748 4.333 -0.724 1.00 15.53 H new ATOM 0 HA GLU A 407 -3.406 3.408 -0.742 1.00 24.22 H new ATOM 0 HB2 GLU A 407 -0.756 1.973 -0.998 1.00 15.02 H new ATOM 0 HB3 GLU A 407 -2.311 1.195 -1.218 1.00 15.02 H new ATOM 0 HG2 GLU A 407 -1.262 3.536 -2.836 1.00 73.13 H new ATOM 0 HG3 GLU A 407 -1.302 1.864 -3.361 1.00 73.13 H new ATOM 77 N PRO A 408 -1.634 2.287 1.882 1.00 1.34 N ATOM 78 CA PRO A 408 -1.825 1.756 3.239 1.00 62.43 C ATOM 79 C PRO A 408 -2.514 2.768 4.147 1.00 52.50 C ATOM 80 O PRO A 408 -3.008 2.422 5.207 1.00 1.41 O ATOM 81 CB PRO A 408 -0.398 1.508 3.732 1.00 23.41 C ATOM 82 CG PRO A 408 0.433 2.434 2.924 1.00 41.32 C ATOM 83 CD PRO A 408 -0.193 2.450 1.576 1.00 61.04 C ATOM 0 HA PRO A 408 -2.454 0.866 3.245 1.00 62.43 H new ATOM 0 HB2 PRO A 408 -0.303 1.715 4.798 1.00 23.41 H new ATOM 0 HB3 PRO A 408 -0.099 0.471 3.581 1.00 23.41 H new ATOM 0 HG2 PRO A 408 0.449 3.432 3.362 1.00 41.32 H new ATOM 0 HG3 PRO A 408 1.467 2.092 2.873 1.00 41.32 H new ATOM 0 HD2 PRO A 408 0.006 3.383 1.049 1.00 61.04 H new ATOM 0 HD3 PRO A 408 0.181 1.642 0.947 1.00 61.04 H new ATOM 91 N VAL A 409 -2.549 4.011 3.710 1.00 35.24 N ATOM 92 CA VAL A 409 -3.152 5.075 4.477 1.00 74.15 C ATOM 93 C VAL A 409 -4.666 5.074 4.288 1.00 54.54 C ATOM 94 O VAL A 409 -5.418 5.195 5.249 1.00 13.13 O ATOM 95 CB VAL A 409 -2.573 6.457 4.068 1.00 41.01 C ATOM 96 CG1 VAL A 409 -3.186 7.584 4.888 1.00 52.22 C ATOM 97 CG2 VAL A 409 -1.064 6.461 4.209 1.00 35.35 C ATOM 0 H VAL A 409 -2.160 4.308 2.815 1.00 35.24 H new ATOM 0 HA VAL A 409 -2.921 4.901 5.528 1.00 74.15 H new ATOM 0 HB VAL A 409 -2.830 6.629 3.023 1.00 41.01 H new ATOM 0 HG11 VAL A 409 -2.758 8.536 4.575 1.00 52.22 H new ATOM 0 HG12 VAL A 409 -4.265 7.602 4.732 1.00 52.22 H new ATOM 0 HG13 VAL A 409 -2.975 7.421 5.945 1.00 52.22 H new ATOM 0 HG21 VAL A 409 -0.674 7.437 3.919 1.00 35.35 H new ATOM 0 HG22 VAL A 409 -0.795 6.257 5.245 1.00 35.35 H new ATOM 0 HG23 VAL A 409 -0.636 5.693 3.565 1.00 35.35 H new ATOM 107 N VAL A 410 -5.113 4.889 3.057 1.00 40.21 N ATOM 108 CA VAL A 410 -6.542 4.905 2.783 1.00 24.43 C ATOM 109 C VAL A 410 -7.235 3.648 3.281 1.00 31.20 C ATOM 110 O VAL A 410 -8.417 3.685 3.587 1.00 61.24 O ATOM 111 CB VAL A 410 -6.888 5.163 1.291 1.00 52.53 C ATOM 112 CG1 VAL A 410 -6.367 6.515 0.859 1.00 63.30 C ATOM 113 CG2 VAL A 410 -6.352 4.059 0.387 1.00 20.04 C ATOM 0 H VAL A 410 -4.519 4.728 2.243 1.00 40.21 H new ATOM 0 HA VAL A 410 -6.926 5.756 3.346 1.00 24.43 H new ATOM 0 HB VAL A 410 -7.974 5.158 1.194 1.00 52.53 H new ATOM 0 HG11 VAL A 410 -6.616 6.683 -0.189 1.00 63.30 H new ATOM 0 HG12 VAL A 410 -6.824 7.293 1.470 1.00 63.30 H new ATOM 0 HG13 VAL A 410 -5.285 6.545 0.984 1.00 63.30 H new ATOM 0 HG21 VAL A 410 -6.615 4.277 -0.648 1.00 20.04 H new ATOM 0 HG22 VAL A 410 -5.268 4.005 0.482 1.00 20.04 H new ATOM 0 HG23 VAL A 410 -6.790 3.105 0.680 1.00 20.04 H new ATOM 123 N LEU A 411 -6.488 2.551 3.394 1.00 60.43 N ATOM 124 CA LEU A 411 -7.048 1.279 3.862 1.00 53.44 C ATOM 125 C LEU A 411 -7.833 1.393 5.179 1.00 53.41 C ATOM 126 O LEU A 411 -9.026 1.052 5.207 1.00 44.22 O ATOM 127 CB LEU A 411 -6.002 0.177 3.950 1.00 74.34 C ATOM 128 CG LEU A 411 -5.376 -0.271 2.632 1.00 15.42 C ATOM 129 CD1 LEU A 411 -4.400 -1.389 2.878 1.00 5.13 C ATOM 130 CD2 LEU A 411 -6.441 -0.700 1.631 1.00 0.41 C ATOM 0 H LEU A 411 -5.494 2.515 3.169 1.00 60.43 H new ATOM 0 HA LEU A 411 -7.769 0.998 3.094 1.00 53.44 H new ATOM 0 HB2 LEU A 411 -5.203 0.516 4.610 1.00 74.34 H new ATOM 0 HB3 LEU A 411 -6.460 -0.692 4.424 1.00 74.34 H new ATOM 0 HG LEU A 411 -4.842 0.577 2.203 1.00 15.42 H new ATOM 0 HD11 LEU A 411 -3.959 -1.702 1.932 1.00 5.13 H new ATOM 0 HD12 LEU A 411 -3.613 -1.044 3.549 1.00 5.13 H new ATOM 0 HD13 LEU A 411 -4.920 -2.233 3.332 1.00 5.13 H new ATOM 0 HD21 LEU A 411 -5.963 -1.013 0.703 1.00 0.41 H new ATOM 0 HD22 LEU A 411 -7.014 -1.531 2.043 1.00 0.41 H new ATOM 0 HD23 LEU A 411 -7.110 0.137 1.430 1.00 0.41 H new ATOM 142 N PRO A 412 -7.216 1.865 6.300 1.00 70.14 N ATOM 143 CA PRO A 412 -7.934 1.987 7.544 1.00 54.44 C ATOM 144 C PRO A 412 -8.860 3.218 7.556 1.00 4.54 C ATOM 145 O PRO A 412 -9.854 3.256 8.291 1.00 21.13 O ATOM 146 CB PRO A 412 -6.831 2.127 8.594 1.00 61.44 C ATOM 147 CG PRO A 412 -5.707 2.778 7.868 1.00 25.03 C ATOM 148 CD PRO A 412 -5.791 2.281 6.452 1.00 22.31 C ATOM 0 HA PRO A 412 -8.588 1.134 7.722 1.00 54.44 H new ATOM 0 HB2 PRO A 412 -7.161 2.732 9.439 1.00 61.44 H new ATOM 0 HB3 PRO A 412 -6.537 1.156 8.993 1.00 61.44 H new ATOM 0 HG2 PRO A 412 -5.793 3.864 7.907 1.00 25.03 H new ATOM 0 HG3 PRO A 412 -4.749 2.518 8.317 1.00 25.03 H new ATOM 0 HD2 PRO A 412 -5.525 3.061 5.739 1.00 22.31 H new ATOM 0 HD3 PRO A 412 -5.111 1.447 6.281 1.00 22.31 H new ATOM 156 N LEU A 413 -8.543 4.219 6.731 1.00 45.44 N ATOM 157 CA LEU A 413 -9.335 5.428 6.697 1.00 74.30 C ATOM 158 C LEU A 413 -10.666 5.220 6.030 1.00 53.52 C ATOM 159 O LEU A 413 -11.671 5.596 6.576 1.00 53.52 O ATOM 160 CB LEU A 413 -8.596 6.582 6.038 1.00 54.30 C ATOM 161 CG LEU A 413 -7.339 7.064 6.746 1.00 42.14 C ATOM 162 CD1 LEU A 413 -6.775 8.253 6.023 1.00 25.42 C ATOM 163 CD2 LEU A 413 -7.630 7.416 8.194 1.00 71.34 C ATOM 0 H LEU A 413 -7.751 4.208 6.089 1.00 45.44 H new ATOM 0 HA LEU A 413 -9.516 5.691 7.739 1.00 74.30 H new ATOM 0 HB2 LEU A 413 -8.326 6.283 5.025 1.00 54.30 H new ATOM 0 HB3 LEU A 413 -9.283 7.423 5.949 1.00 54.30 H new ATOM 0 HG LEU A 413 -6.606 6.257 6.738 1.00 42.14 H new ATOM 0 HD11 LEU A 413 -5.875 8.596 6.533 1.00 25.42 H new ATOM 0 HD12 LEU A 413 -6.528 7.973 4.999 1.00 25.42 H new ATOM 0 HD13 LEU A 413 -7.513 9.055 6.011 1.00 25.42 H new ATOM 0 HD21 LEU A 413 -6.714 7.758 8.677 1.00 71.34 H new ATOM 0 HD22 LEU A 413 -8.378 8.208 8.233 1.00 71.34 H new ATOM 0 HD23 LEU A 413 -8.007 6.535 8.714 1.00 71.34 H new ATOM 175 N LEU A 414 -10.675 4.558 4.872 1.00 12.33 N ATOM 176 CA LEU A 414 -11.925 4.328 4.127 1.00 21.32 C ATOM 177 C LEU A 414 -12.902 3.560 4.957 1.00 32.35 C ATOM 178 O LEU A 414 -14.086 3.845 4.952 1.00 14.23 O ATOM 179 CB LEU A 414 -11.677 3.581 2.820 1.00 74.10 C ATOM 180 CG LEU A 414 -10.784 4.280 1.810 1.00 44.12 C ATOM 181 CD1 LEU A 414 -10.596 3.415 0.573 1.00 11.11 C ATOM 182 CD2 LEU A 414 -11.347 5.644 1.434 1.00 2.31 C ATOM 0 H LEU A 414 -9.841 4.173 4.428 1.00 12.33 H new ATOM 0 HA LEU A 414 -12.338 5.308 3.890 1.00 21.32 H new ATOM 0 HB2 LEU A 414 -11.235 2.613 3.057 1.00 74.10 H new ATOM 0 HB3 LEU A 414 -12.640 3.385 2.349 1.00 74.10 H new ATOM 0 HG LEU A 414 -9.809 4.436 2.272 1.00 44.12 H new ATOM 0 HD11 LEU A 414 -9.953 3.933 -0.139 1.00 11.11 H new ATOM 0 HD12 LEU A 414 -10.135 2.469 0.857 1.00 11.11 H new ATOM 0 HD13 LEU A 414 -11.565 3.222 0.113 1.00 11.11 H new ATOM 0 HD21 LEU A 414 -10.688 6.123 0.710 1.00 2.31 H new ATOM 0 HD22 LEU A 414 -12.338 5.521 0.997 1.00 2.31 H new ATOM 0 HD23 LEU A 414 -11.419 6.266 2.326 1.00 2.31 H new ATOM 194 N TRP A 415 -12.390 2.604 5.687 1.00 24.34 N ATOM 195 CA TRP A 415 -13.213 1.786 6.547 1.00 64.12 C ATOM 196 C TRP A 415 -13.828 2.639 7.676 1.00 40.43 C ATOM 197 O TRP A 415 -15.011 2.517 7.993 1.00 53.14 O ATOM 198 CB TRP A 415 -12.392 0.616 7.113 1.00 15.52 C ATOM 199 CG TRP A 415 -13.199 -0.353 7.921 1.00 12.41 C ATOM 200 CD1 TRP A 415 -13.253 -0.443 9.276 1.00 65.53 C ATOM 201 CD2 TRP A 415 -14.081 -1.366 7.416 1.00 4.35 C ATOM 202 NE1 TRP A 415 -14.105 -1.453 9.648 1.00 62.42 N ATOM 203 CE2 TRP A 415 -14.626 -2.035 8.527 1.00 71.11 C ATOM 204 CE3 TRP A 415 -14.457 -1.772 6.131 1.00 72.55 C ATOM 205 CZ2 TRP A 415 -15.528 -3.087 8.396 1.00 22.12 C ATOM 206 CZ3 TRP A 415 -15.353 -2.816 6.002 1.00 33.31 C ATOM 207 CH2 TRP A 415 -15.878 -3.462 7.125 1.00 60.11 C ATOM 0 H TRP A 415 -11.398 2.369 5.705 1.00 24.34 H new ATOM 0 HA TRP A 415 -14.032 1.370 5.961 1.00 64.12 H new ATOM 0 HB2 TRP A 415 -11.920 0.082 6.288 1.00 15.52 H new ATOM 0 HB3 TRP A 415 -11.590 1.014 7.735 1.00 15.52 H new ATOM 0 HD1 TRP A 415 -12.705 0.188 9.960 1.00 65.53 H new ATOM 0 HE1 TRP A 415 -14.316 -1.726 10.608 1.00 62.42 H new ATOM 0 HE3 TRP A 415 -14.055 -1.280 5.258 1.00 72.55 H new ATOM 0 HZ2 TRP A 415 -15.936 -3.588 9.262 1.00 22.12 H new ATOM 0 HZ3 TRP A 415 -15.653 -3.139 5.016 1.00 33.31 H new ATOM 0 HH2 TRP A 415 -16.575 -4.275 6.988 1.00 60.11 H new ATOM 218 N PHE A 416 -13.033 3.527 8.234 1.00 74.31 N ATOM 219 CA PHE A 416 -13.482 4.383 9.326 1.00 22.11 C ATOM 220 C PHE A 416 -14.428 5.478 8.796 1.00 23.23 C ATOM 221 O PHE A 416 -15.289 6.000 9.517 1.00 32.31 O ATOM 222 CB PHE A 416 -12.268 4.988 10.055 1.00 22.12 C ATOM 223 CG PHE A 416 -12.610 5.787 11.282 1.00 51.42 C ATOM 224 CD1 PHE A 416 -12.875 5.150 12.480 1.00 3.02 C ATOM 225 CD2 PHE A 416 -12.664 7.168 11.239 1.00 42.23 C ATOM 226 CE1 PHE A 416 -13.188 5.872 13.611 1.00 34.34 C ATOM 227 CE2 PHE A 416 -12.977 7.896 12.368 1.00 30.02 C ATOM 228 CZ PHE A 416 -13.239 7.249 13.554 1.00 43.32 C ATOM 0 H PHE A 416 -12.065 3.680 7.951 1.00 74.31 H new ATOM 0 HA PHE A 416 -14.042 3.784 10.044 1.00 22.11 H new ATOM 0 HB2 PHE A 416 -11.592 4.181 10.339 1.00 22.12 H new ATOM 0 HB3 PHE A 416 -11.725 5.628 9.360 1.00 22.12 H new ATOM 0 HD1 PHE A 416 -12.836 4.072 12.530 1.00 3.02 H new ATOM 0 HD2 PHE A 416 -12.459 7.682 10.312 1.00 42.23 H new ATOM 0 HE1 PHE A 416 -13.393 5.361 14.540 1.00 34.34 H new ATOM 0 HE2 PHE A 416 -13.016 8.974 12.321 1.00 30.02 H new ATOM 0 HZ PHE A 416 -13.484 7.818 14.438 1.00 43.32 H new ATOM 238 N GLU A 417 -14.244 5.833 7.550 1.00 44.00 N ATOM 239 CA GLU A 417 -15.068 6.817 6.916 1.00 72.52 C ATOM 240 C GLU A 417 -16.410 6.222 6.524 1.00 51.43 C ATOM 241 O GLU A 417 -17.452 6.846 6.705 1.00 61.42 O ATOM 242 CB GLU A 417 -14.363 7.425 5.701 1.00 53.32 C ATOM 243 CG GLU A 417 -13.068 8.161 6.026 1.00 42.22 C ATOM 244 CD GLU A 417 -13.245 9.237 7.066 1.00 24.11 C ATOM 245 OE1 GLU A 417 -13.028 8.973 8.261 1.00 53.34 O ATOM 246 OE2 GLU A 417 -13.607 10.367 6.712 1.00 55.54 O ATOM 0 H GLU A 417 -13.516 5.445 6.950 1.00 44.00 H new ATOM 0 HA GLU A 417 -15.248 7.619 7.632 1.00 72.52 H new ATOM 0 HB2 GLU A 417 -14.145 6.630 4.987 1.00 53.32 H new ATOM 0 HB3 GLU A 417 -15.046 8.117 5.209 1.00 53.32 H new ATOM 0 HG2 GLU A 417 -12.327 7.443 6.377 1.00 42.22 H new ATOM 0 HG3 GLU A 417 -12.672 8.607 5.114 1.00 42.22 H new ATOM 253 N GLN A 418 -16.388 4.985 6.028 1.00 0.21 N ATOM 254 CA GLN A 418 -17.605 4.337 5.555 1.00 23.32 C ATOM 255 C GLN A 418 -18.563 3.969 6.683 1.00 25.41 C ATOM 256 O GLN A 418 -19.725 3.664 6.441 1.00 14.43 O ATOM 257 CB GLN A 418 -17.311 3.164 4.566 1.00 1.43 C ATOM 258 CG GLN A 418 -16.563 1.911 5.096 1.00 31.51 C ATOM 259 CD GLN A 418 -17.387 0.996 6.004 1.00 53.31 C ATOM 260 OE1 GLN A 418 -18.075 0.110 5.530 1.00 11.14 O ATOM 261 NE2 GLN A 418 -17.253 1.137 7.289 1.00 70.54 N ATOM 0 H GLN A 418 -15.545 4.417 5.945 1.00 0.21 H new ATOM 0 HA GLN A 418 -18.142 5.082 4.968 1.00 23.32 H new ATOM 0 HB2 GLN A 418 -18.264 2.831 4.156 1.00 1.43 H new ATOM 0 HB3 GLN A 418 -16.731 3.569 3.736 1.00 1.43 H new ATOM 0 HG2 GLN A 418 -16.212 1.330 4.243 1.00 31.51 H new ATOM 0 HG3 GLN A 418 -15.680 2.240 5.643 1.00 31.51 H new ATOM 0 HE21 GLN A 418 -16.671 1.887 7.662 1.00 70.54 H new ATOM 0 HE22 GLN A 418 -17.730 0.497 7.925 1.00 70.54 H new ATOM 270 N SER A 419 -18.079 4.002 7.908 1.00 72.30 N ATOM 271 CA SER A 419 -18.914 3.726 9.044 1.00 30.43 C ATOM 272 C SER A 419 -19.640 4.990 9.491 1.00 12.24 C ATOM 273 O SER A 419 -20.609 4.923 10.253 1.00 40.53 O ATOM 274 CB SER A 419 -18.080 3.116 10.180 1.00 42.45 C ATOM 275 OG SER A 419 -16.966 3.932 10.486 1.00 32.20 O ATOM 0 H SER A 419 -17.109 4.218 8.136 1.00 72.30 H new ATOM 0 HA SER A 419 -19.672 2.996 8.761 1.00 30.43 H new ATOM 0 HB2 SER A 419 -18.701 2.995 11.067 1.00 42.45 H new ATOM 0 HB3 SER A 419 -17.739 2.122 9.892 1.00 42.45 H new ATOM 0 HG SER A 419 -16.451 3.524 11.213 1.00 32.20 H new ATOM 281 N GLY A 420 -19.184 6.146 8.979 1.00 32.44 N ATOM 282 CA GLY A 420 -19.754 7.421 9.372 1.00 31.41 C ATOM 283 C GLY A 420 -19.634 7.619 10.861 1.00 74.53 C ATOM 284 O GLY A 420 -20.558 8.107 11.516 1.00 33.45 O ATOM 0 H GLY A 420 -18.428 6.211 8.298 1.00 32.44 H new ATOM 0 HA2 GLY A 420 -19.243 8.230 8.850 1.00 31.41 H new ATOM 0 HA3 GLY A 420 -20.803 7.463 9.077 1.00 31.41 H new ATOM 288 N ALA A 421 -18.487 7.231 11.385 1.00 63.33 N ATOM 289 CA ALA A 421 -18.219 7.229 12.812 1.00 40.14 C ATOM 290 C ALA A 421 -18.233 8.630 13.439 1.00 34.51 C ATOM 291 O ALA A 421 -18.548 8.786 14.621 1.00 54.14 O ATOM 292 CB ALA A 421 -16.914 6.513 13.081 1.00 52.01 C ATOM 0 H ALA A 421 -17.702 6.903 10.823 1.00 63.33 H new ATOM 0 HA ALA A 421 -19.035 6.692 13.295 1.00 40.14 H new ATOM 0 HB1 ALA A 421 -16.714 6.512 14.152 1.00 52.01 H new ATOM 0 HB2 ALA A 421 -16.982 5.486 12.724 1.00 52.01 H new ATOM 0 HB3 ALA A 421 -16.104 7.025 12.561 1.00 52.01 H new ATOM 535 N MET A 437 -13.226 13.257 -9.289 1.00 34.23 N ATOM 536 CA MET A 437 -11.942 13.871 -9.292 1.00 54.11 C ATOM 537 C MET A 437 -10.860 12.810 -9.529 1.00 55.33 C ATOM 538 O MET A 437 -10.852 11.770 -8.856 1.00 31.22 O ATOM 539 CB MET A 437 -11.748 14.575 -7.958 1.00 55.10 C ATOM 540 CG MET A 437 -10.551 15.489 -7.876 1.00 14.42 C ATOM 541 SD MET A 437 -10.656 16.851 -9.061 1.00 41.41 S ATOM 542 CE MET A 437 -12.239 17.590 -8.607 1.00 15.21 C ATOM 0 HA MET A 437 -11.865 14.603 -10.096 1.00 54.11 H new ATOM 0 HB2 MET A 437 -12.644 15.157 -7.740 1.00 55.10 H new ATOM 0 HB3 MET A 437 -11.661 13.819 -7.177 1.00 55.10 H new ATOM 0 HG2 MET A 437 -10.471 15.892 -6.866 1.00 14.42 H new ATOM 0 HG3 MET A 437 -9.643 14.915 -8.063 1.00 14.42 H new ATOM 0 HE1 MET A 437 -12.291 18.607 -8.996 1.00 15.21 H new ATOM 0 HE2 MET A 437 -13.051 16.998 -9.029 1.00 15.21 H new ATOM 0 HE3 MET A 437 -12.332 17.611 -7.521 1.00 15.21 H new ATOM 552 N PRO A 438 -9.947 13.066 -10.506 1.00 12.25 N ATOM 553 CA PRO A 438 -8.839 12.158 -10.920 1.00 21.04 C ATOM 554 C PRO A 438 -8.123 11.395 -9.790 1.00 14.14 C ATOM 555 O PRO A 438 -7.618 10.290 -10.016 1.00 74.15 O ATOM 556 CB PRO A 438 -7.886 13.111 -11.608 1.00 73.12 C ATOM 557 CG PRO A 438 -8.797 14.055 -12.297 1.00 23.20 C ATOM 558 CD PRO A 438 -9.933 14.295 -11.340 1.00 54.23 C ATOM 0 HA PRO A 438 -9.225 11.342 -11.531 1.00 21.04 H new ATOM 0 HB2 PRO A 438 -7.241 13.622 -10.894 1.00 73.12 H new ATOM 0 HB3 PRO A 438 -7.235 12.592 -12.312 1.00 73.12 H new ATOM 0 HG2 PRO A 438 -8.286 14.987 -12.539 1.00 23.20 H new ATOM 0 HG3 PRO A 438 -9.158 13.636 -13.236 1.00 23.20 H new ATOM 0 HD2 PRO A 438 -9.768 15.188 -10.737 1.00 54.23 H new ATOM 0 HD3 PRO A 438 -10.878 14.435 -11.865 1.00 54.23 H new ATOM 566 N GLN A 439 -8.101 11.968 -8.588 1.00 40.24 N ATOM 567 CA GLN A 439 -7.456 11.347 -7.425 1.00 24.43 C ATOM 568 C GLN A 439 -7.988 9.933 -7.195 1.00 52.51 C ATOM 569 O GLN A 439 -7.211 8.992 -7.026 1.00 1.33 O ATOM 570 CB GLN A 439 -7.737 12.178 -6.170 1.00 20.04 C ATOM 571 CG GLN A 439 -7.211 13.593 -6.221 1.00 71.31 C ATOM 572 CD GLN A 439 -5.695 13.660 -6.274 1.00 55.13 C ATOM 573 OE1 GLN A 439 -5.030 13.711 -5.239 1.00 43.21 O ATOM 574 NE2 GLN A 439 -5.140 13.675 -7.452 1.00 54.21 N ATOM 0 H GLN A 439 -8.527 12.873 -8.390 1.00 40.24 H new ATOM 0 HA GLN A 439 -6.385 11.302 -7.621 1.00 24.43 H new ATOM 0 HB2 GLN A 439 -8.814 12.211 -6.006 1.00 20.04 H new ATOM 0 HB3 GLN A 439 -7.298 11.672 -5.310 1.00 20.04 H new ATOM 0 HG2 GLN A 439 -7.622 14.097 -7.096 1.00 71.31 H new ATOM 0 HG3 GLN A 439 -7.563 14.138 -5.345 1.00 71.31 H new ATOM 0 HE21 GLN A 439 -5.720 13.631 -8.290 1.00 54.21 H new ATOM 0 HE22 GLN A 439 -4.125 13.730 -7.537 1.00 54.21 H new ATOM 583 N VAL A 440 -9.306 9.771 -7.233 1.00 51.30 N ATOM 584 CA VAL A 440 -9.875 8.450 -7.034 1.00 22.24 C ATOM 585 C VAL A 440 -9.702 7.598 -8.278 1.00 14.23 C ATOM 586 O VAL A 440 -9.554 6.396 -8.191 1.00 4.02 O ATOM 587 CB VAL A 440 -11.360 8.438 -6.570 1.00 71.31 C ATOM 588 CG1 VAL A 440 -11.548 9.237 -5.294 1.00 22.25 C ATOM 589 CG2 VAL A 440 -12.311 8.890 -7.664 1.00 10.23 C ATOM 0 H VAL A 440 -9.982 10.517 -7.395 1.00 51.30 H new ATOM 0 HA VAL A 440 -9.311 8.021 -6.206 1.00 22.24 H new ATOM 0 HB VAL A 440 -11.614 7.401 -6.349 1.00 71.31 H new ATOM 0 HG11 VAL A 440 -12.597 9.208 -4.998 1.00 22.25 H new ATOM 0 HG12 VAL A 440 -10.935 8.807 -4.502 1.00 22.25 H new ATOM 0 HG13 VAL A 440 -11.248 10.271 -5.464 1.00 22.25 H new ATOM 0 HG21 VAL A 440 -13.335 8.864 -7.290 1.00 10.23 H new ATOM 0 HG22 VAL A 440 -12.061 9.907 -7.966 1.00 10.23 H new ATOM 0 HG23 VAL A 440 -12.221 8.224 -8.522 1.00 10.23 H new ATOM 599 N LEU A 441 -9.691 8.236 -9.436 1.00 20.03 N ATOM 600 CA LEU A 441 -9.545 7.510 -10.691 1.00 30.41 C ATOM 601 C LEU A 441 -8.197 6.812 -10.775 1.00 60.33 C ATOM 602 O LEU A 441 -8.096 5.702 -11.298 1.00 2.43 O ATOM 603 CB LEU A 441 -9.813 8.376 -11.953 1.00 52.14 C ATOM 604 CG LEU A 441 -11.271 8.833 -12.240 1.00 44.03 C ATOM 605 CD1 LEU A 441 -11.819 9.757 -11.174 1.00 62.22 C ATOM 606 CD2 LEU A 441 -11.362 9.490 -13.606 1.00 53.12 C ATOM 0 H LEU A 441 -9.780 9.247 -9.536 1.00 20.03 H new ATOM 0 HA LEU A 441 -10.327 6.751 -10.683 1.00 30.41 H new ATOM 0 HB2 LEU A 441 -9.193 9.270 -11.880 1.00 52.14 H new ATOM 0 HB3 LEU A 441 -9.464 7.816 -12.820 1.00 52.14 H new ATOM 0 HG LEU A 441 -11.889 7.935 -12.227 1.00 44.03 H new ATOM 0 HD11 LEU A 441 -12.840 10.042 -11.429 1.00 62.22 H new ATOM 0 HD12 LEU A 441 -11.815 9.245 -10.212 1.00 62.22 H new ATOM 0 HD13 LEU A 441 -11.197 10.650 -11.112 1.00 62.22 H new ATOM 0 HD21 LEU A 441 -12.389 9.804 -13.791 1.00 53.12 H new ATOM 0 HD22 LEU A 441 -10.706 10.360 -13.636 1.00 53.12 H new ATOM 0 HD23 LEU A 441 -11.056 8.778 -14.373 1.00 53.12 H new ATOM 618 N HIS A 442 -7.170 7.440 -10.241 1.00 14.01 N ATOM 619 CA HIS A 442 -5.864 6.810 -10.222 1.00 63.12 C ATOM 620 C HIS A 442 -5.808 5.710 -9.181 1.00 51.42 C ATOM 621 O HIS A 442 -5.121 4.717 -9.370 1.00 51.21 O ATOM 622 CB HIS A 442 -4.713 7.809 -10.031 1.00 24.34 C ATOM 623 CG HIS A 442 -4.476 8.723 -11.204 1.00 22.42 C ATOM 624 ND1 HIS A 442 -3.519 8.486 -12.164 1.00 72.02 N ATOM 625 CD2 HIS A 442 -5.069 9.877 -11.559 1.00 32.11 C ATOM 626 CE1 HIS A 442 -3.538 9.459 -13.051 1.00 3.45 C ATOM 627 NE2 HIS A 442 -4.467 10.311 -12.705 1.00 53.34 N ATOM 0 H HIS A 442 -7.210 8.369 -9.821 1.00 14.01 H new ATOM 0 HA HIS A 442 -5.723 6.367 -11.208 1.00 63.12 H new ATOM 0 HB2 HIS A 442 -4.919 8.416 -9.150 1.00 24.34 H new ATOM 0 HB3 HIS A 442 -3.797 7.254 -9.829 1.00 24.34 H new ATOM 0 HD2 HIS A 442 -5.874 10.370 -11.034 1.00 32.11 H new ATOM 0 HE1 HIS A 442 -2.896 9.539 -13.916 1.00 3.45 H new ATOM 0 HE2 HIS A 442 -4.704 11.164 -13.211 1.00 53.34 H new ATOM 636 N TYR A 443 -6.590 5.849 -8.115 1.00 64.53 N ATOM 637 CA TYR A 443 -6.586 4.890 -7.070 1.00 4.53 C ATOM 638 C TYR A 443 -7.396 3.667 -7.508 1.00 1.04 C ATOM 639 O TYR A 443 -7.102 2.548 -7.122 1.00 55.44 O ATOM 640 CB TYR A 443 -7.103 5.569 -5.800 1.00 44.12 C ATOM 641 CG TYR A 443 -8.229 4.892 -5.106 1.00 11.41 C ATOM 642 CD1 TYR A 443 -9.503 5.201 -5.462 1.00 14.42 C ATOM 643 CD2 TYR A 443 -8.027 3.959 -4.105 1.00 33.24 C ATOM 644 CE1 TYR A 443 -10.560 4.635 -4.881 1.00 0.11 C ATOM 645 CE2 TYR A 443 -9.099 3.358 -3.488 1.00 24.40 C ATOM 646 CZ TYR A 443 -10.376 3.702 -3.879 1.00 23.53 C ATOM 647 OH TYR A 443 -11.469 3.109 -3.271 1.00 72.33 O ATOM 0 H TYR A 443 -7.231 6.630 -7.973 1.00 64.53 H new ATOM 0 HA TYR A 443 -5.585 4.521 -6.848 1.00 4.53 H new ATOM 0 HB2 TYR A 443 -6.274 5.661 -5.099 1.00 44.12 H new ATOM 0 HB3 TYR A 443 -7.417 6.581 -6.056 1.00 44.12 H new ATOM 0 HD1 TYR A 443 -9.665 5.930 -6.242 1.00 14.42 H new ATOM 0 HD2 TYR A 443 -7.022 3.701 -3.806 1.00 33.24 H new ATOM 0 HE1 TYR A 443 -11.558 4.905 -5.193 1.00 0.11 H new ATOM 0 HE2 TYR A 443 -8.943 2.627 -2.708 1.00 24.40 H new ATOM 0 HH TYR A 443 -11.161 2.476 -2.589 1.00 72.33 H new ATOM 657 N ALA A 444 -8.392 3.917 -8.351 1.00 71.41 N ATOM 658 CA ALA A 444 -9.226 2.877 -8.940 1.00 11.24 C ATOM 659 C ALA A 444 -8.383 1.982 -9.816 1.00 63.41 C ATOM 660 O ALA A 444 -8.623 0.779 -9.914 1.00 22.24 O ATOM 661 CB ALA A 444 -10.355 3.500 -9.752 1.00 20.22 C ATOM 0 H ALA A 444 -8.646 4.859 -8.648 1.00 71.41 H new ATOM 0 HA ALA A 444 -9.665 2.280 -8.141 1.00 11.24 H new ATOM 0 HB1 ALA A 444 -10.969 2.711 -10.186 1.00 20.22 H new ATOM 0 HB2 ALA A 444 -10.970 4.123 -9.102 1.00 20.22 H new ATOM 0 HB3 ALA A 444 -9.934 4.112 -10.550 1.00 20.22 H new ATOM 667 N GLN A 445 -7.384 2.572 -10.449 1.00 33.20 N ATOM 668 CA GLN A 445 -6.448 1.816 -11.251 1.00 44.32 C ATOM 669 C GLN A 445 -5.661 0.880 -10.354 1.00 20.34 C ATOM 670 O GLN A 445 -5.488 -0.280 -10.667 1.00 30.00 O ATOM 671 CB GLN A 445 -5.533 2.744 -12.042 1.00 54.04 C ATOM 672 CG GLN A 445 -6.290 3.596 -13.043 1.00 73.55 C ATOM 673 CD GLN A 445 -5.412 4.552 -13.816 1.00 35.04 C ATOM 674 OE1 GLN A 445 -4.397 5.028 -13.318 1.00 54.31 O ATOM 675 NE2 GLN A 445 -5.799 4.850 -15.029 1.00 34.24 N ATOM 0 H GLN A 445 -7.203 3.575 -10.421 1.00 33.20 H new ATOM 0 HA GLN A 445 -6.996 1.219 -11.980 1.00 44.32 H new ATOM 0 HB2 GLN A 445 -4.995 3.393 -11.351 1.00 54.04 H new ATOM 0 HB3 GLN A 445 -4.786 2.150 -12.568 1.00 54.04 H new ATOM 0 HG2 GLN A 445 -6.806 2.942 -13.746 1.00 73.55 H new ATOM 0 HG3 GLN A 445 -7.056 4.165 -12.516 1.00 73.55 H new ATOM 0 HE21 GLN A 445 -6.649 4.434 -15.410 1.00 34.24 H new ATOM 0 HE22 GLN A 445 -5.251 5.498 -15.594 1.00 34.24 H new ATOM 684 N TYR A 446 -5.238 1.388 -9.213 1.00 71.41 N ATOM 685 CA TYR A 446 -4.558 0.581 -8.206 1.00 22.01 C ATOM 686 C TYR A 446 -5.489 -0.531 -7.691 1.00 23.43 C ATOM 687 O TYR A 446 -5.047 -1.666 -7.447 1.00 31.14 O ATOM 688 CB TYR A 446 -4.053 1.460 -7.055 1.00 30.52 C ATOM 689 CG TYR A 446 -2.826 2.311 -7.373 1.00 64.41 C ATOM 690 CD1 TYR A 446 -2.719 3.036 -8.552 1.00 43.23 C ATOM 691 CD2 TYR A 446 -1.784 2.395 -6.466 1.00 60.22 C ATOM 692 CE1 TYR A 446 -1.608 3.814 -8.815 1.00 74.11 C ATOM 693 CE2 TYR A 446 -0.670 3.167 -6.722 1.00 14.22 C ATOM 694 CZ TYR A 446 -0.587 3.875 -7.894 1.00 13.03 C ATOM 695 OH TYR A 446 0.528 4.652 -8.150 1.00 3.24 O ATOM 0 H TYR A 446 -5.353 2.368 -8.954 1.00 71.41 H new ATOM 0 HA TYR A 446 -3.691 0.109 -8.667 1.00 22.01 H new ATOM 0 HB2 TYR A 446 -4.862 2.121 -6.743 1.00 30.52 H new ATOM 0 HB3 TYR A 446 -3.819 0.818 -6.205 1.00 30.52 H new ATOM 0 HD1 TYR A 446 -3.519 2.991 -9.277 1.00 43.23 H new ATOM 0 HD2 TYR A 446 -1.844 1.845 -5.539 1.00 60.22 H new ATOM 0 HE1 TYR A 446 -1.541 4.371 -9.738 1.00 74.11 H new ATOM 0 HE2 TYR A 446 0.134 3.214 -6.002 1.00 14.22 H new ATOM 0 HH TYR A 446 1.153 4.585 -7.398 1.00 3.24 H new ATOM 705 N VAL A 447 -6.778 -0.204 -7.549 1.00 32.13 N ATOM 706 CA VAL A 447 -7.794 -1.180 -7.157 1.00 53.41 C ATOM 707 C VAL A 447 -7.879 -2.284 -8.204 1.00 12.11 C ATOM 708 O VAL A 447 -7.977 -3.444 -7.868 1.00 22.12 O ATOM 709 CB VAL A 447 -9.212 -0.539 -6.973 1.00 71.21 C ATOM 710 CG1 VAL A 447 -10.249 -1.599 -6.610 1.00 33.43 C ATOM 711 CG2 VAL A 447 -9.190 0.536 -5.909 1.00 0.25 C ATOM 0 H VAL A 447 -7.142 0.737 -7.702 1.00 32.13 H new ATOM 0 HA VAL A 447 -7.488 -1.585 -6.193 1.00 53.41 H new ATOM 0 HB VAL A 447 -9.489 -0.085 -7.924 1.00 71.21 H new ATOM 0 HG11 VAL A 447 -11.224 -1.127 -6.488 1.00 33.43 H new ATOM 0 HG12 VAL A 447 -10.303 -2.343 -7.405 1.00 33.43 H new ATOM 0 HG13 VAL A 447 -9.962 -2.085 -5.677 1.00 33.43 H new ATOM 0 HG21 VAL A 447 -10.187 0.963 -5.803 1.00 0.25 H new ATOM 0 HG22 VAL A 447 -8.878 0.102 -4.959 1.00 0.25 H new ATOM 0 HG23 VAL A 447 -8.489 1.319 -6.197 1.00 0.25 H new ATOM 721 N LEU A 448 -7.805 -1.904 -9.476 1.00 24.13 N ATOM 722 CA LEU A 448 -7.858 -2.840 -10.576 1.00 64.30 C ATOM 723 C LEU A 448 -6.716 -3.864 -10.487 1.00 71.24 C ATOM 724 O LEU A 448 -6.915 -5.055 -10.755 1.00 43.45 O ATOM 725 CB LEU A 448 -7.814 -2.089 -11.904 1.00 72.54 C ATOM 726 CG LEU A 448 -7.797 -2.946 -13.150 1.00 53.23 C ATOM 727 CD1 LEU A 448 -9.067 -3.791 -13.259 1.00 51.13 C ATOM 728 CD2 LEU A 448 -7.588 -2.103 -14.393 1.00 41.13 C ATOM 0 H LEU A 448 -7.706 -0.931 -9.766 1.00 24.13 H new ATOM 0 HA LEU A 448 -8.797 -3.390 -10.517 1.00 64.30 H new ATOM 0 HB2 LEU A 448 -8.679 -1.428 -11.954 1.00 72.54 H new ATOM 0 HB3 LEU A 448 -6.927 -1.455 -11.911 1.00 72.54 H new ATOM 0 HG LEU A 448 -6.952 -3.630 -13.069 1.00 53.23 H new ATOM 0 HD11 LEU A 448 -9.025 -4.396 -14.165 1.00 51.13 H new ATOM 0 HD12 LEU A 448 -9.145 -4.444 -12.390 1.00 51.13 H new ATOM 0 HD13 LEU A 448 -9.937 -3.136 -13.300 1.00 51.13 H new ATOM 0 HD21 LEU A 448 -7.580 -2.747 -15.272 1.00 41.13 H new ATOM 0 HD22 LEU A 448 -8.397 -1.378 -14.481 1.00 41.13 H new ATOM 0 HD23 LEU A 448 -6.636 -1.577 -14.320 1.00 41.13 H new ATOM 740 N LEU A 449 -5.535 -3.407 -10.105 1.00 64.32 N ATOM 741 CA LEU A 449 -4.404 -4.312 -9.915 1.00 25.23 C ATOM 742 C LEU A 449 -4.672 -5.265 -8.749 1.00 74.03 C ATOM 743 O LEU A 449 -4.395 -6.464 -8.836 1.00 22.15 O ATOM 744 CB LEU A 449 -3.059 -3.556 -9.729 1.00 63.20 C ATOM 745 CG LEU A 449 -2.379 -2.951 -10.995 1.00 73.15 C ATOM 746 CD1 LEU A 449 -3.264 -1.969 -11.724 1.00 44.22 C ATOM 747 CD2 LEU A 449 -1.069 -2.282 -10.625 1.00 25.14 C ATOM 0 H LEU A 449 -5.331 -2.425 -9.921 1.00 64.32 H new ATOM 0 HA LEU A 449 -4.302 -4.898 -10.828 1.00 25.23 H new ATOM 0 HB2 LEU A 449 -3.227 -2.745 -9.020 1.00 63.20 H new ATOM 0 HB3 LEU A 449 -2.351 -4.243 -9.266 1.00 63.20 H new ATOM 0 HG LEU A 449 -2.191 -3.784 -11.673 1.00 73.15 H new ATOM 0 HD11 LEU A 449 -2.737 -1.582 -12.596 1.00 44.22 H new ATOM 0 HD12 LEU A 449 -4.177 -2.471 -12.045 1.00 44.22 H new ATOM 0 HD13 LEU A 449 -3.518 -1.145 -11.058 1.00 44.22 H new ATOM 0 HD21 LEU A 449 -0.608 -1.865 -11.520 1.00 25.14 H new ATOM 0 HD22 LEU A 449 -1.258 -1.483 -9.909 1.00 25.14 H new ATOM 0 HD23 LEU A 449 -0.398 -3.017 -10.180 1.00 25.14 H new ATOM 759 N GLY A 450 -5.251 -4.731 -7.675 1.00 30.34 N ATOM 760 CA GLY A 450 -5.602 -5.553 -6.529 1.00 73.33 C ATOM 761 C GLY A 450 -6.718 -6.532 -6.866 1.00 64.21 C ATOM 762 O GLY A 450 -6.720 -7.673 -6.407 1.00 64.41 O ATOM 0 H GLY A 450 -5.483 -3.742 -7.579 1.00 30.34 H new ATOM 0 HA2 GLY A 450 -4.724 -6.103 -6.192 1.00 73.33 H new ATOM 0 HA3 GLY A 450 -5.914 -4.914 -5.703 1.00 73.33 H new ATOM 766 N LEU A 451 -7.654 -6.073 -7.689 1.00 52.52 N ATOM 767 CA LEU A 451 -8.777 -6.875 -8.155 1.00 3.53 C ATOM 768 C LEU A 451 -8.240 -8.037 -8.990 1.00 64.24 C ATOM 769 O LEU A 451 -8.779 -9.136 -8.956 1.00 12.33 O ATOM 770 CB LEU A 451 -9.758 -5.959 -8.959 1.00 12.31 C ATOM 771 CG LEU A 451 -11.140 -6.517 -9.405 1.00 13.04 C ATOM 772 CD1 LEU A 451 -11.998 -5.376 -9.921 1.00 63.51 C ATOM 773 CD2 LEU A 451 -11.014 -7.567 -10.509 1.00 13.22 C ATOM 0 H LEU A 451 -7.653 -5.121 -8.055 1.00 52.52 H new ATOM 0 HA LEU A 451 -9.336 -7.299 -7.320 1.00 3.53 H new ATOM 0 HB2 LEU A 451 -9.945 -5.071 -8.354 1.00 12.31 H new ATOM 0 HB3 LEU A 451 -9.235 -5.629 -9.856 1.00 12.31 H new ATOM 0 HG LEU A 451 -11.595 -6.992 -8.536 1.00 13.04 H new ATOM 0 HD11 LEU A 451 -12.968 -5.763 -10.235 1.00 63.51 H new ATOM 0 HD12 LEU A 451 -12.140 -4.640 -9.129 1.00 63.51 H new ATOM 0 HD13 LEU A 451 -11.504 -4.904 -10.770 1.00 63.51 H new ATOM 0 HD21 LEU A 451 -12.006 -7.925 -10.785 1.00 13.22 H new ATOM 0 HD22 LEU A 451 -10.533 -7.123 -11.380 1.00 13.22 H new ATOM 0 HD23 LEU A 451 -10.413 -8.403 -10.150 1.00 13.22 H new ATOM 785 N GLY A 452 -7.153 -7.782 -9.715 1.00 3.10 N ATOM 786 CA GLY A 452 -6.497 -8.823 -10.484 1.00 74.54 C ATOM 787 C GLY A 452 -5.995 -9.932 -9.579 1.00 54.23 C ATOM 788 O GLY A 452 -6.113 -11.126 -9.904 1.00 10.11 O ATOM 0 H GLY A 452 -6.713 -6.864 -9.782 1.00 3.10 H new ATOM 0 HA2 GLY A 452 -7.193 -9.233 -11.216 1.00 74.54 H new ATOM 0 HA3 GLY A 452 -5.662 -8.397 -11.041 1.00 74.54 H new ATOM 792 N GLY A 453 -5.451 -9.535 -8.435 1.00 72.40 N ATOM 793 CA GLY A 453 -5.002 -10.489 -7.450 1.00 20.45 C ATOM 794 C GLY A 453 -6.174 -11.228 -6.846 1.00 15.42 C ATOM 795 O GLY A 453 -6.134 -12.438 -6.693 1.00 32.41 O ATOM 0 H GLY A 453 -5.314 -8.558 -8.174 1.00 72.40 H new ATOM 0 HA2 GLY A 453 -4.317 -11.200 -7.912 1.00 20.45 H new ATOM 0 HA3 GLY A 453 -4.447 -9.975 -6.665 1.00 20.45 H new ATOM 799 N LEU A 454 -7.232 -10.486 -6.539 1.00 33.42 N ATOM 800 CA LEU A 454 -8.478 -11.037 -5.989 1.00 3.43 C ATOM 801 C LEU A 454 -9.011 -12.109 -6.956 1.00 12.13 C ATOM 802 O LEU A 454 -9.426 -13.188 -6.541 1.00 21.01 O ATOM 803 CB LEU A 454 -9.501 -9.867 -5.794 1.00 73.05 C ATOM 804 CG LEU A 454 -10.844 -10.129 -5.043 1.00 15.01 C ATOM 805 CD1 LEU A 454 -11.575 -8.816 -4.841 1.00 25.50 C ATOM 806 CD2 LEU A 454 -11.762 -11.085 -5.799 1.00 52.24 C ATOM 0 H LEU A 454 -7.255 -9.474 -6.664 1.00 33.42 H new ATOM 0 HA LEU A 454 -8.311 -11.507 -5.020 1.00 3.43 H new ATOM 0 HB2 LEU A 454 -8.983 -9.067 -5.265 1.00 73.05 H new ATOM 0 HB3 LEU A 454 -9.751 -9.485 -6.784 1.00 73.05 H new ATOM 0 HG LEU A 454 -10.591 -10.590 -4.088 1.00 15.01 H new ATOM 0 HD11 LEU A 454 -12.513 -8.999 -4.317 1.00 25.50 H new ATOM 0 HD12 LEU A 454 -10.955 -8.141 -4.251 1.00 25.50 H new ATOM 0 HD13 LEU A 454 -11.784 -8.363 -5.810 1.00 25.50 H new ATOM 0 HD21 LEU A 454 -12.681 -11.232 -5.232 1.00 52.24 H new ATOM 0 HD22 LEU A 454 -12.001 -10.664 -6.775 1.00 52.24 H new ATOM 0 HD23 LEU A 454 -11.260 -12.044 -5.931 1.00 52.24 H new ATOM 818 N LEU A 455 -8.943 -11.796 -8.244 1.00 33.24 N ATOM 819 CA LEU A 455 -9.377 -12.681 -9.331 1.00 5.42 C ATOM 820 C LEU A 455 -8.605 -14.012 -9.291 1.00 70.42 C ATOM 821 O LEU A 455 -9.155 -15.070 -9.605 1.00 72.21 O ATOM 822 CB LEU A 455 -9.204 -11.918 -10.689 1.00 13.52 C ATOM 823 CG LEU A 455 -9.612 -12.604 -12.024 1.00 43.15 C ATOM 824 CD1 LEU A 455 -9.673 -11.559 -13.125 1.00 32.13 C ATOM 825 CD2 LEU A 455 -8.598 -13.667 -12.440 1.00 44.13 C ATOM 0 H LEU A 455 -8.578 -10.903 -8.575 1.00 33.24 H new ATOM 0 HA LEU A 455 -10.429 -12.942 -9.215 1.00 5.42 H new ATOM 0 HB2 LEU A 455 -9.772 -10.991 -10.614 1.00 13.52 H new ATOM 0 HB3 LEU A 455 -8.153 -11.642 -10.774 1.00 13.52 H new ATOM 0 HG LEU A 455 -10.582 -13.078 -11.872 1.00 43.15 H new ATOM 0 HD11 LEU A 455 -9.959 -12.035 -14.063 1.00 32.13 H new ATOM 0 HD12 LEU A 455 -10.410 -10.799 -12.865 1.00 32.13 H new ATOM 0 HD13 LEU A 455 -8.695 -11.092 -13.238 1.00 32.13 H new ATOM 0 HD21 LEU A 455 -8.915 -14.125 -13.377 1.00 44.13 H new ATOM 0 HD22 LEU A 455 -7.620 -13.204 -12.575 1.00 44.13 H new ATOM 0 HD23 LEU A 455 -8.534 -14.431 -11.666 1.00 44.13 H new ATOM 837 N LEU A 456 -7.353 -13.948 -8.872 1.00 5.23 N ATOM 838 CA LEU A 456 -6.498 -15.126 -8.773 1.00 51.32 C ATOM 839 C LEU A 456 -6.974 -15.999 -7.595 1.00 34.31 C ATOM 840 O LEU A 456 -6.957 -17.228 -7.668 1.00 55.21 O ATOM 841 CB LEU A 456 -5.011 -14.660 -8.622 1.00 70.13 C ATOM 842 CG LEU A 456 -3.864 -15.715 -8.636 1.00 21.31 C ATOM 843 CD1 LEU A 456 -2.531 -14.998 -8.700 1.00 31.14 C ATOM 844 CD2 LEU A 456 -3.875 -16.597 -7.394 1.00 11.35 C ATOM 0 H LEU A 456 -6.897 -13.080 -8.590 1.00 5.23 H new ATOM 0 HA LEU A 456 -6.560 -15.738 -9.673 1.00 51.32 H new ATOM 0 HB2 LEU A 456 -4.810 -13.950 -9.424 1.00 70.13 H new ATOM 0 HB3 LEU A 456 -4.936 -14.110 -7.684 1.00 70.13 H new ATOM 0 HG LEU A 456 -4.016 -16.352 -9.508 1.00 21.31 H new ATOM 0 HD11 LEU A 456 -1.724 -15.731 -8.710 1.00 31.14 H new ATOM 0 HD12 LEU A 456 -2.485 -14.395 -9.607 1.00 31.14 H new ATOM 0 HD13 LEU A 456 -2.423 -14.352 -7.829 1.00 31.14 H new ATOM 0 HD21 LEU A 456 -3.057 -17.316 -7.451 1.00 11.35 H new ATOM 0 HD22 LEU A 456 -3.752 -15.977 -6.506 1.00 11.35 H new ATOM 0 HD23 LEU A 456 -4.824 -17.131 -7.335 1.00 11.35 H new ATOM 856 N LEU A 457 -7.412 -15.356 -6.534 1.00 21.30 N ATOM 857 CA LEU A 457 -7.908 -16.051 -5.352 1.00 54.14 C ATOM 858 C LEU A 457 -9.297 -16.648 -5.540 1.00 3.23 C ATOM 859 O LEU A 457 -9.629 -17.631 -4.892 1.00 54.44 O ATOM 860 CB LEU A 457 -7.811 -15.222 -4.052 1.00 34.45 C ATOM 861 CG LEU A 457 -6.408 -15.064 -3.411 1.00 52.30 C ATOM 862 CD1 LEU A 457 -5.809 -16.420 -3.058 1.00 42.30 C ATOM 863 CD2 LEU A 457 -5.457 -14.275 -4.287 1.00 51.20 C ATOM 0 H LEU A 457 -7.437 -14.339 -6.460 1.00 21.30 H new ATOM 0 HA LEU A 457 -7.222 -16.889 -5.227 1.00 54.14 H new ATOM 0 HB2 LEU A 457 -8.202 -14.225 -4.258 1.00 34.45 H new ATOM 0 HB3 LEU A 457 -8.470 -15.676 -3.312 1.00 34.45 H new ATOM 0 HG LEU A 457 -6.548 -14.495 -2.492 1.00 52.30 H new ATOM 0 HD11 LEU A 457 -4.825 -16.278 -2.610 1.00 42.30 H new ATOM 0 HD12 LEU A 457 -6.460 -16.932 -2.349 1.00 42.30 H new ATOM 0 HD13 LEU A 457 -5.713 -17.022 -3.962 1.00 42.30 H new ATOM 0 HD21 LEU A 457 -4.489 -14.193 -3.792 1.00 51.20 H new ATOM 0 HD22 LEU A 457 -5.334 -14.785 -5.242 1.00 51.20 H new ATOM 0 HD23 LEU A 457 -5.862 -13.278 -4.458 1.00 51.20 H new ATOM 875 N VAL A 458 -10.106 -16.043 -6.418 1.00 34.13 N ATOM 876 CA VAL A 458 -11.493 -16.504 -6.682 1.00 51.55 C ATOM 877 C VAL A 458 -11.627 -18.051 -6.863 1.00 23.23 C ATOM 878 O VAL A 458 -12.490 -18.655 -6.219 1.00 61.34 O ATOM 879 CB VAL A 458 -12.171 -15.757 -7.876 1.00 33.10 C ATOM 880 CG1 VAL A 458 -13.576 -16.280 -8.113 1.00 55.14 C ATOM 881 CG2 VAL A 458 -12.225 -14.270 -7.605 1.00 52.34 C ATOM 0 H VAL A 458 -9.831 -15.228 -6.965 1.00 34.13 H new ATOM 0 HA VAL A 458 -12.031 -16.243 -5.771 1.00 51.55 H new ATOM 0 HB VAL A 458 -11.573 -15.939 -8.769 1.00 33.10 H new ATOM 0 HG11 VAL A 458 -14.027 -15.745 -8.949 1.00 55.14 H new ATOM 0 HG12 VAL A 458 -13.534 -17.344 -8.344 1.00 55.14 H new ATOM 0 HG13 VAL A 458 -14.177 -16.127 -7.217 1.00 55.14 H new ATOM 0 HG21 VAL A 458 -12.700 -13.764 -8.446 1.00 52.34 H new ATOM 0 HG22 VAL A 458 -12.801 -14.086 -6.698 1.00 52.34 H new ATOM 0 HG23 VAL A 458 -11.213 -13.887 -7.476 1.00 52.34 H new ATOM 891 N PRO A 459 -10.791 -18.728 -7.725 1.00 71.44 N ATOM 892 CA PRO A 459 -10.848 -20.195 -7.866 1.00 41.23 C ATOM 893 C PRO A 459 -10.641 -20.905 -6.527 1.00 33.34 C ATOM 894 O PRO A 459 -11.290 -21.894 -6.243 1.00 35.05 O ATOM 895 CB PRO A 459 -9.692 -20.509 -8.822 1.00 14.24 C ATOM 896 CG PRO A 459 -9.515 -19.261 -9.603 1.00 23.21 C ATOM 897 CD PRO A 459 -9.791 -18.143 -8.641 1.00 23.32 C ATOM 0 HA PRO A 459 -11.818 -20.535 -8.229 1.00 41.23 H new ATOM 0 HB2 PRO A 459 -8.785 -20.770 -8.277 1.00 14.24 H new ATOM 0 HB3 PRO A 459 -9.929 -21.353 -9.469 1.00 14.24 H new ATOM 0 HG2 PRO A 459 -8.505 -19.191 -10.007 1.00 23.21 H new ATOM 0 HG3 PRO A 459 -10.200 -19.228 -10.450 1.00 23.21 H new ATOM 0 HD2 PRO A 459 -8.890 -17.836 -8.111 1.00 23.32 H new ATOM 0 HD3 PRO A 459 -10.178 -17.260 -9.150 1.00 23.32 H new ATOM 905 N ILE A 460 -9.772 -20.343 -5.692 1.00 32.52 N ATOM 906 CA ILE A 460 -9.466 -20.901 -4.371 1.00 63.15 C ATOM 907 C ILE A 460 -10.673 -20.704 -3.453 1.00 41.52 C ATOM 908 O ILE A 460 -11.063 -21.601 -2.701 1.00 21.44 O ATOM 909 CB ILE A 460 -8.210 -20.216 -3.748 1.00 73.03 C ATOM 910 CG1 ILE A 460 -6.980 -20.371 -4.672 1.00 14.35 C ATOM 911 CG2 ILE A 460 -7.909 -20.765 -2.350 1.00 1.01 C ATOM 912 CD1 ILE A 460 -6.580 -21.810 -4.961 1.00 73.42 C ATOM 0 H ILE A 460 -9.258 -19.489 -5.908 1.00 32.52 H new ATOM 0 HA ILE A 460 -9.250 -21.964 -4.482 1.00 63.15 H new ATOM 0 HB ILE A 460 -8.431 -19.153 -3.648 1.00 73.03 H new ATOM 0 HG12 ILE A 460 -7.187 -19.869 -5.617 1.00 14.35 H new ATOM 0 HG13 ILE A 460 -6.133 -19.857 -4.217 1.00 14.35 H new ATOM 0 HG21 ILE A 460 -7.028 -20.266 -1.945 1.00 1.01 H new ATOM 0 HG22 ILE A 460 -8.762 -20.583 -1.696 1.00 1.01 H new ATOM 0 HG23 ILE A 460 -7.722 -21.837 -2.413 1.00 1.01 H new ATOM 0 HD11 ILE A 460 -5.709 -21.821 -5.616 1.00 73.42 H new ATOM 0 HD12 ILE A 460 -6.337 -22.315 -4.026 1.00 73.42 H new ATOM 0 HD13 ILE A 460 -7.407 -22.327 -5.448 1.00 73.42 H new ATOM 924 N ILE A 461 -11.286 -19.542 -3.566 1.00 13.32 N ATOM 925 CA ILE A 461 -12.491 -19.203 -2.818 1.00 73.13 C ATOM 926 C ILE A 461 -13.638 -20.178 -3.197 1.00 22.31 C ATOM 927 O ILE A 461 -14.534 -20.465 -2.397 1.00 33.14 O ATOM 928 CB ILE A 461 -12.916 -17.718 -3.089 1.00 72.51 C ATOM 929 CG1 ILE A 461 -11.781 -16.760 -2.681 1.00 50.23 C ATOM 930 CG2 ILE A 461 -14.191 -17.365 -2.338 1.00 51.42 C ATOM 931 CD1 ILE A 461 -12.081 -15.292 -2.931 1.00 63.15 C ATOM 0 H ILE A 461 -10.963 -18.797 -4.183 1.00 13.32 H new ATOM 0 HA ILE A 461 -12.281 -19.302 -1.753 1.00 73.13 H new ATOM 0 HB ILE A 461 -13.111 -17.612 -4.156 1.00 72.51 H new ATOM 0 HG12 ILE A 461 -11.567 -16.900 -1.621 1.00 50.23 H new ATOM 0 HG13 ILE A 461 -10.878 -17.032 -3.227 1.00 50.23 H new ATOM 0 HG21 ILE A 461 -14.461 -16.329 -2.546 1.00 51.42 H new ATOM 0 HG22 ILE A 461 -14.998 -18.022 -2.662 1.00 51.42 H new ATOM 0 HG23 ILE A 461 -14.029 -17.490 -1.267 1.00 51.42 H new ATOM 0 HD11 ILE A 461 -11.230 -14.688 -2.616 1.00 63.15 H new ATOM 0 HD12 ILE A 461 -12.264 -15.134 -3.994 1.00 63.15 H new ATOM 0 HD13 ILE A 461 -12.964 -14.999 -2.363 1.00 63.15 H new ATOM 943 N CYS A 462 -13.574 -20.703 -4.402 1.00 2.03 N ATOM 944 CA CYS A 462 -14.566 -21.650 -4.881 1.00 52.31 C ATOM 945 C CYS A 462 -14.215 -23.074 -4.426 1.00 54.31 C ATOM 946 O CYS A 462 -15.067 -23.966 -4.417 1.00 14.33 O ATOM 947 CB CYS A 462 -14.663 -21.589 -6.406 1.00 3.23 C ATOM 948 SG CYS A 462 -15.063 -19.947 -7.049 1.00 45.32 S ATOM 0 H CYS A 462 -12.839 -20.489 -5.076 1.00 2.03 H new ATOM 0 HA CYS A 462 -15.534 -21.381 -4.457 1.00 52.31 H new ATOM 0 HB2 CYS A 462 -13.715 -21.915 -6.834 1.00 3.23 H new ATOM 0 HB3 CYS A 462 -15.423 -22.295 -6.741 1.00 3.23 H new ATOM 0 HG CYS A 462 -14.074 -19.137 -6.815 1.00 45.32 H new ATOM 954 N GLN A 463 -12.963 -23.271 -4.011 1.00 3.22 N ATOM 955 CA GLN A 463 -12.490 -24.597 -3.575 1.00 13.10 C ATOM 956 C GLN A 463 -12.982 -24.800 -2.177 1.00 70.42 C ATOM 957 O GLN A 463 -13.281 -25.898 -1.729 1.00 11.41 O ATOM 958 CB GLN A 463 -10.955 -24.678 -3.602 1.00 31.02 C ATOM 959 CG GLN A 463 -10.318 -24.440 -4.964 1.00 54.40 C ATOM 960 CD GLN A 463 -10.764 -25.423 -6.017 1.00 1.10 C ATOM 961 OE1 GLN A 463 -11.753 -25.195 -6.716 1.00 32.31 O ATOM 962 NE2 GLN A 463 -10.037 -26.500 -6.165 1.00 54.31 N ATOM 0 H GLN A 463 -12.257 -22.537 -3.966 1.00 3.22 H new ATOM 0 HA GLN A 463 -12.867 -25.367 -4.248 1.00 13.10 H new ATOM 0 HB2 GLN A 463 -10.556 -23.947 -2.899 1.00 31.02 H new ATOM 0 HB3 GLN A 463 -10.653 -25.662 -3.244 1.00 31.02 H new ATOM 0 HG2 GLN A 463 -10.557 -23.430 -5.297 1.00 54.40 H new ATOM 0 HG3 GLN A 463 -9.234 -24.494 -4.864 1.00 54.40 H new ATOM 0 HE21 GLN A 463 -9.225 -26.654 -5.567 1.00 54.31 H new ATOM 0 HE22 GLN A 463 -10.282 -27.186 -6.879 1.00 54.31 H new ATOM 971 N LEU A 464 -13.069 -23.686 -1.525 1.00 44.30 N ATOM 972 CA LEU A 464 -13.509 -23.499 -0.195 1.00 62.14 C ATOM 973 C LEU A 464 -14.943 -24.072 -0.010 1.00 74.13 C ATOM 974 O LEU A 464 -15.288 -24.553 1.055 1.00 5.52 O ATOM 975 CB LEU A 464 -13.435 -21.990 -0.026 1.00 11.03 C ATOM 976 CG LEU A 464 -13.539 -21.346 1.318 1.00 41.13 C ATOM 977 CD1 LEU A 464 -13.191 -19.887 1.127 1.00 61.21 C ATOM 978 CD2 LEU A 464 -14.927 -21.459 1.892 1.00 3.12 C ATOM 0 H LEU A 464 -12.806 -22.802 -1.961 1.00 44.30 H new ATOM 0 HA LEU A 464 -12.915 -24.019 0.557 1.00 62.14 H new ATOM 0 HB2 LEU A 464 -12.487 -21.670 -0.457 1.00 11.03 H new ATOM 0 HB3 LEU A 464 -14.226 -21.564 -0.643 1.00 11.03 H new ATOM 0 HG LEU A 464 -12.866 -21.843 2.016 1.00 41.13 H new ATOM 0 HD11 LEU A 464 -13.253 -19.370 2.085 1.00 61.21 H new ATOM 0 HD12 LEU A 464 -12.178 -19.803 0.734 1.00 61.21 H new ATOM 0 HD13 LEU A 464 -13.891 -19.435 0.425 1.00 61.21 H new ATOM 0 HD21 LEU A 464 -14.957 -20.977 2.869 1.00 3.12 H new ATOM 0 HD22 LEU A 464 -15.637 -20.971 1.225 1.00 3.12 H new ATOM 0 HD23 LEU A 464 -15.193 -22.511 1.998 1.00 3.12 H new ATOM 990 N ARG A 465 -15.747 -24.055 -1.065 1.00 54.31 N ATOM 991 CA ARG A 465 -17.087 -24.636 -0.992 1.00 62.14 C ATOM 992 C ARG A 465 -17.042 -26.159 -0.891 1.00 30.02 C ATOM 993 O ARG A 465 -17.970 -26.778 -0.394 1.00 62.14 O ATOM 994 CB ARG A 465 -17.993 -24.177 -2.143 1.00 65.40 C ATOM 995 CG ARG A 465 -18.666 -22.822 -1.925 1.00 61.23 C ATOM 996 CD ARG A 465 -17.694 -21.674 -1.718 1.00 15.11 C ATOM 997 NE ARG A 465 -18.411 -20.436 -1.393 1.00 44.03 N ATOM 998 CZ ARG A 465 -17.849 -19.298 -0.971 1.00 31.33 C ATOM 999 NH1 ARG A 465 -16.531 -19.174 -0.938 1.00 70.45 N ATOM 1000 NH2 ARG A 465 -18.615 -18.271 -0.610 1.00 55.30 N ATOM 0 H ARG A 465 -15.503 -23.652 -1.970 1.00 54.31 H new ATOM 0 HA ARG A 465 -17.533 -24.258 -0.072 1.00 62.14 H new ATOM 0 HB2 ARG A 465 -17.401 -24.130 -3.057 1.00 65.40 H new ATOM 0 HB3 ARG A 465 -18.765 -24.930 -2.302 1.00 65.40 H new ATOM 0 HG2 ARG A 465 -19.297 -22.599 -2.785 1.00 61.23 H new ATOM 0 HG3 ARG A 465 -19.322 -22.890 -1.057 1.00 61.23 H new ATOM 0 HD2 ARG A 465 -17.000 -21.920 -0.914 1.00 15.11 H new ATOM 0 HD3 ARG A 465 -17.099 -21.529 -2.619 1.00 15.11 H new ATOM 0 HE ARG A 465 -19.426 -20.444 -1.498 1.00 44.03 H new ATOM 0 HH11 ARG A 465 -15.938 -19.949 -1.235 1.00 70.45 H new ATOM 0 HH12 ARG A 465 -16.109 -18.304 -0.615 1.00 70.45 H new ATOM 0 HH21 ARG A 465 -19.631 -18.352 -0.655 1.00 55.30 H new ATOM 0 HH22 ARG A 465 -18.186 -17.403 -0.288 1.00 55.30 H new ATOM 1014 N SER A 466 -15.948 -26.745 -1.331 1.00 5.13 N ATOM 1015 CA SER A 466 -15.744 -28.175 -1.216 1.00 10.41 C ATOM 1016 C SER A 466 -15.280 -28.478 0.203 1.00 32.04 C ATOM 1017 O SER A 466 -15.586 -29.529 0.773 1.00 52.52 O ATOM 1018 CB SER A 466 -14.690 -28.612 -2.217 1.00 31.11 C ATOM 1019 OG SER A 466 -15.056 -28.212 -3.523 1.00 61.11 O ATOM 0 H SER A 466 -15.178 -26.246 -1.777 1.00 5.13 H new ATOM 0 HA SER A 466 -16.669 -28.714 -1.424 1.00 10.41 H new ATOM 0 HB2 SER A 466 -13.726 -28.177 -1.953 1.00 31.11 H new ATOM 0 HB3 SER A 466 -14.572 -29.695 -2.181 1.00 31.11 H new ATOM 0 HG SER A 466 -14.367 -28.499 -4.158 1.00 61.11 H new ATOM 1025 N GLN A 467 -14.553 -27.528 0.757 1.00 20.51 N ATOM 1026 CA GLN A 467 -14.064 -27.580 2.120 1.00 75.05 C ATOM 1027 C GLN A 467 -15.257 -27.606 3.080 1.00 1.41 C ATOM 1028 O GLN A 467 -15.303 -28.402 4.020 1.00 71.45 O ATOM 1029 CB GLN A 467 -13.222 -26.330 2.380 1.00 51.13 C ATOM 1030 CG GLN A 467 -12.685 -26.194 3.784 1.00 55.32 C ATOM 1031 CD GLN A 467 -12.039 -24.843 4.017 1.00 61.42 C ATOM 1032 OE1 GLN A 467 -11.492 -24.221 3.096 1.00 32.04 O ATOM 1033 NE2 GLN A 467 -12.107 -24.369 5.228 1.00 21.24 N ATOM 0 H GLN A 467 -14.280 -26.680 0.261 1.00 20.51 H new ATOM 0 HA GLN A 467 -13.459 -28.474 2.274 1.00 75.05 H new ATOM 0 HB2 GLN A 467 -12.382 -26.327 1.686 1.00 51.13 H new ATOM 0 HB3 GLN A 467 -13.826 -25.452 2.153 1.00 51.13 H new ATOM 0 HG2 GLN A 467 -13.497 -26.336 4.498 1.00 55.32 H new ATOM 0 HG3 GLN A 467 -11.955 -26.982 3.971 1.00 55.32 H new ATOM 0 HE21 GLN A 467 -12.565 -24.909 5.962 1.00 21.24 H new ATOM 0 HE22 GLN A 467 -11.702 -23.458 5.442 1.00 21.24 H new ATOM 1042 N GLU A 468 -16.235 -26.751 2.787 1.00 63.45 N ATOM 1043 CA GLU A 468 -17.438 -26.602 3.599 1.00 13.12 C ATOM 1044 C GLU A 468 -18.410 -27.775 3.469 1.00 45.34 C ATOM 1045 O GLU A 468 -19.422 -27.815 4.163 1.00 71.21 O ATOM 1046 CB GLU A 468 -18.159 -25.300 3.277 1.00 52.55 C ATOM 1047 CG GLU A 468 -17.353 -24.053 3.568 1.00 63.13 C ATOM 1048 CD GLU A 468 -18.137 -22.800 3.301 1.00 54.20 C ATOM 1049 OE1 GLU A 468 -18.835 -22.319 4.221 1.00 23.14 O ATOM 1050 OE2 GLU A 468 -18.083 -22.276 2.179 1.00 64.01 O ATOM 0 H GLU A 468 -16.213 -26.138 1.972 1.00 63.45 H new ATOM 0 HA GLU A 468 -17.093 -26.585 4.633 1.00 13.12 H new ATOM 0 HB2 GLU A 468 -18.435 -25.302 2.222 1.00 52.55 H new ATOM 0 HB3 GLU A 468 -19.086 -25.261 3.849 1.00 52.55 H new ATOM 0 HG2 GLU A 468 -17.031 -24.064 4.609 1.00 63.13 H new ATOM 0 HG3 GLU A 468 -16.451 -24.053 2.956 1.00 63.13 H new