USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=8 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 Set 1.1: A 442 HIS :FLIP no HE2:sc= 0.242 F(o=-4,f=-1.2) USER MOD Set 1.2: A 445 GLN : amide:sc= -1.45! C(o=-1.2!,f=-6.6!) USER MOD Single : A 404 SER OG : rot 33:sc= 0.0653 USER MOD Single : A 405 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 418 GLN : amide:sc= -0.183 X(o=-0.18,f=-0.018) USER MOD Single : A 419 SER OG : rot 180:sc= 0 USER MOD Single : A 437 MET CE :methyl 155:sc= -0.253 (180deg=-1.32!) USER MOD Single : A 439 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 443 TYR OH : rot 180:sc= 0 USER MOD Single : A 446 TYR OH : rot 180:sc= 0 USER MOD Single : A 462 CYS SG : rot 59:sc= 0.0848 USER MOD Single : A 463 GLN : amide:sc= -0.0906 K(o=-0.091,f=-0.6) USER MOD Single : A 466 SER OG : rot 180:sc= 0 USER MOD Single : A 467 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD ----------------------------------------------------------------- ATOM 10 N SER A 404 4.292 14.926 -9.238 1.00 5.43 N ATOM 11 CA SER A 404 3.267 14.727 -8.260 1.00 32.41 C ATOM 12 C SER A 404 3.778 15.041 -6.846 1.00 51.25 C ATOM 13 O SER A 404 4.283 14.171 -6.130 1.00 35.13 O ATOM 14 CB SER A 404 2.684 13.315 -8.349 1.00 23.33 C ATOM 15 OG SER A 404 2.156 13.057 -9.655 1.00 31.32 O ATOM 0 HA SER A 404 2.460 15.427 -8.476 1.00 32.41 H new ATOM 0 HB2 SER A 404 3.457 12.583 -8.115 1.00 23.33 H new ATOM 0 HB3 SER A 404 1.897 13.196 -7.605 1.00 23.33 H new ATOM 0 HG SER A 404 2.684 13.542 -10.323 1.00 31.32 H new ATOM 21 N LYS A 405 3.694 16.301 -6.495 1.00 74.40 N ATOM 22 CA LYS A 405 4.076 16.801 -5.183 1.00 44.13 C ATOM 23 C LYS A 405 2.957 16.488 -4.180 1.00 10.24 C ATOM 24 O LYS A 405 3.179 16.368 -2.984 1.00 33.13 O ATOM 25 CB LYS A 405 4.332 18.320 -5.279 1.00 1.21 C ATOM 26 CG LYS A 405 4.776 19.009 -3.991 1.00 3.21 C ATOM 27 CD LYS A 405 6.105 18.478 -3.481 1.00 54.12 C ATOM 28 CE LYS A 405 6.546 19.237 -2.239 1.00 24.24 C ATOM 29 NZ LYS A 405 7.827 18.740 -1.699 1.00 12.24 N ATOM 0 H LYS A 405 3.352 17.029 -7.122 1.00 74.40 H new ATOM 0 HA LYS A 405 4.990 16.317 -4.839 1.00 44.13 H new ATOM 0 HB2 LYS A 405 5.093 18.492 -6.040 1.00 1.21 H new ATOM 0 HB3 LYS A 405 3.418 18.801 -5.628 1.00 1.21 H new ATOM 0 HG2 LYS A 405 4.859 20.082 -4.166 1.00 3.21 H new ATOM 0 HG3 LYS A 405 4.013 18.869 -3.225 1.00 3.21 H new ATOM 0 HD2 LYS A 405 6.014 17.416 -3.251 1.00 54.12 H new ATOM 0 HD3 LYS A 405 6.863 18.572 -4.259 1.00 54.12 H new ATOM 0 HE2 LYS A 405 6.643 20.296 -2.479 1.00 24.24 H new ATOM 0 HE3 LYS A 405 5.775 19.153 -1.473 1.00 24.24 H new ATOM 0 HZ1 LYS A 405 8.084 19.289 -0.854 1.00 12.24 H new ATOM 0 HZ2 LYS A 405 7.730 17.737 -1.444 1.00 12.24 H new ATOM 0 HZ3 LYS A 405 8.571 18.844 -2.419 1.00 12.24 H new ATOM 43 N ILE A 406 1.762 16.305 -4.713 1.00 14.32 N ATOM 44 CA ILE A 406 0.558 16.060 -3.925 1.00 64.05 C ATOM 45 C ILE A 406 0.433 14.548 -3.594 1.00 32.44 C ATOM 46 O ILE A 406 -0.411 14.129 -2.805 1.00 72.03 O ATOM 47 CB ILE A 406 -0.700 16.535 -4.751 1.00 42.35 C ATOM 48 CG1 ILE A 406 -1.994 16.465 -3.938 1.00 62.20 C ATOM 49 CG2 ILE A 406 -0.851 15.718 -6.036 1.00 15.25 C ATOM 50 CD1 ILE A 406 -2.015 17.366 -2.725 1.00 62.33 C ATOM 0 H ILE A 406 1.594 16.322 -5.719 1.00 14.32 H new ATOM 0 HA ILE A 406 0.616 16.616 -2.989 1.00 64.05 H new ATOM 0 HB ILE A 406 -0.525 17.580 -5.006 1.00 42.35 H new ATOM 0 HG12 ILE A 406 -2.831 16.727 -4.585 1.00 62.20 H new ATOM 0 HG13 ILE A 406 -2.151 15.436 -3.615 1.00 62.20 H new ATOM 0 HG21 ILE A 406 -1.725 16.065 -6.587 1.00 15.25 H new ATOM 0 HG22 ILE A 406 0.039 15.842 -6.653 1.00 15.25 H new ATOM 0 HG23 ILE A 406 -0.975 14.665 -5.785 1.00 15.25 H new ATOM 0 HD11 ILE A 406 -2.967 17.255 -2.206 1.00 62.33 H new ATOM 0 HD12 ILE A 406 -1.201 17.091 -2.054 1.00 62.33 H new ATOM 0 HD13 ILE A 406 -1.892 18.402 -3.039 1.00 62.33 H new ATOM 62 N GLU A 407 1.328 13.763 -4.163 1.00 63.42 N ATOM 63 CA GLU A 407 1.326 12.305 -4.024 1.00 74.41 C ATOM 64 C GLU A 407 1.541 11.874 -2.545 1.00 72.22 C ATOM 65 O GLU A 407 0.688 11.183 -1.979 1.00 23.41 O ATOM 66 CB GLU A 407 2.335 11.689 -5.058 1.00 11.13 C ATOM 67 CG GLU A 407 2.533 10.166 -5.078 1.00 53.34 C ATOM 68 CD GLU A 407 3.353 9.636 -3.917 1.00 54.24 C ATOM 69 OE1 GLU A 407 2.827 8.875 -3.088 1.00 14.04 O ATOM 70 OE2 GLU A 407 4.537 9.983 -3.824 1.00 3.30 O ATOM 0 H GLU A 407 2.089 14.116 -4.743 1.00 63.42 H new ATOM 0 HA GLU A 407 0.346 11.896 -4.272 1.00 74.41 H new ATOM 0 HB2 GLU A 407 2.014 11.994 -6.054 1.00 11.13 H new ATOM 0 HB3 GLU A 407 3.309 12.147 -4.883 1.00 11.13 H new ATOM 0 HG2 GLU A 407 1.556 9.683 -5.070 1.00 53.34 H new ATOM 0 HG3 GLU A 407 3.020 9.885 -6.012 1.00 53.34 H new ATOM 77 N PRO A 408 2.645 12.307 -1.877 1.00 22.04 N ATOM 78 CA PRO A 408 2.877 11.975 -0.460 1.00 61.15 C ATOM 79 C PRO A 408 1.935 12.742 0.487 1.00 31.32 C ATOM 80 O PRO A 408 1.905 12.494 1.694 1.00 33.21 O ATOM 81 CB PRO A 408 4.318 12.427 -0.234 1.00 14.21 C ATOM 82 CG PRO A 408 4.525 13.514 -1.230 1.00 52.41 C ATOM 83 CD PRO A 408 3.768 13.102 -2.435 1.00 42.32 C ATOM 0 HA PRO A 408 2.696 10.920 -0.254 1.00 61.15 H new ATOM 0 HB2 PRO A 408 4.467 12.787 0.784 1.00 14.21 H new ATOM 0 HB3 PRO A 408 5.020 11.608 -0.388 1.00 14.21 H new ATOM 0 HG2 PRO A 408 4.164 14.469 -0.848 1.00 52.41 H new ATOM 0 HG3 PRO A 408 5.584 13.641 -1.457 1.00 52.41 H new ATOM 0 HD2 PRO A 408 3.410 13.963 -2.999 1.00 42.32 H new ATOM 0 HD3 PRO A 408 4.382 12.510 -3.113 1.00 42.32 H new ATOM 91 N VAL A 409 1.179 13.668 -0.066 1.00 55.03 N ATOM 92 CA VAL A 409 0.269 14.484 0.713 1.00 3.12 C ATOM 93 C VAL A 409 -1.079 13.784 0.837 1.00 45.31 C ATOM 94 O VAL A 409 -1.676 13.741 1.914 1.00 61.42 O ATOM 95 CB VAL A 409 0.072 15.878 0.066 1.00 2.45 C ATOM 96 CG1 VAL A 409 -0.836 16.763 0.913 1.00 51.52 C ATOM 97 CG2 VAL A 409 1.411 16.556 -0.172 1.00 54.24 C ATOM 0 H VAL A 409 1.177 13.876 -1.065 1.00 55.03 H new ATOM 0 HA VAL A 409 0.704 14.623 1.703 1.00 3.12 H new ATOM 0 HB VAL A 409 -0.415 15.728 -0.898 1.00 2.45 H new ATOM 0 HG11 VAL A 409 -0.952 17.733 0.430 1.00 51.52 H new ATOM 0 HG12 VAL A 409 -1.812 16.289 1.016 1.00 51.52 H new ATOM 0 HG13 VAL A 409 -0.393 16.900 1.900 1.00 51.52 H new ATOM 0 HG21 VAL A 409 1.248 17.533 -0.627 1.00 54.24 H new ATOM 0 HG22 VAL A 409 1.930 16.680 0.778 1.00 54.24 H new ATOM 0 HG23 VAL A 409 2.016 15.942 -0.839 1.00 54.24 H new ATOM 107 N VAL A 410 -1.541 13.204 -0.256 1.00 33.54 N ATOM 108 CA VAL A 410 -2.818 12.513 -0.245 1.00 34.12 C ATOM 109 C VAL A 410 -2.729 11.161 0.432 1.00 52.21 C ATOM 110 O VAL A 410 -3.740 10.611 0.821 1.00 52.20 O ATOM 111 CB VAL A 410 -3.453 12.365 -1.649 1.00 45.41 C ATOM 112 CG1 VAL A 410 -3.744 13.725 -2.237 1.00 42.15 C ATOM 113 CG2 VAL A 410 -2.561 11.558 -2.581 1.00 70.14 C ATOM 0 H VAL A 410 -1.057 13.197 -1.154 1.00 33.54 H new ATOM 0 HA VAL A 410 -3.478 13.154 0.340 1.00 34.12 H new ATOM 0 HB VAL A 410 -4.391 11.821 -1.538 1.00 45.41 H new ATOM 0 HG11 VAL A 410 -4.190 13.607 -3.224 1.00 42.15 H new ATOM 0 HG12 VAL A 410 -4.436 14.262 -1.588 1.00 42.15 H new ATOM 0 HG13 VAL A 410 -2.816 14.290 -2.324 1.00 42.15 H new ATOM 0 HG21 VAL A 410 -3.037 11.474 -3.558 1.00 70.14 H new ATOM 0 HG22 VAL A 410 -1.599 12.059 -2.688 1.00 70.14 H new ATOM 0 HG23 VAL A 410 -2.407 10.562 -2.165 1.00 70.14 H new ATOM 123 N LEU A 411 -1.518 10.636 0.577 1.00 12.32 N ATOM 124 CA LEU A 411 -1.327 9.344 1.238 1.00 54.31 C ATOM 125 C LEU A 411 -1.946 9.247 2.624 1.00 33.33 C ATOM 126 O LEU A 411 -2.709 8.326 2.875 1.00 13.41 O ATOM 127 CB LEU A 411 0.106 8.855 1.217 1.00 13.22 C ATOM 128 CG LEU A 411 0.604 8.334 -0.125 1.00 35.54 C ATOM 129 CD1 LEU A 411 2.056 7.973 -0.031 1.00 11.22 C ATOM 130 CD2 LEU A 411 -0.205 7.109 -0.548 1.00 64.33 C ATOM 0 H LEU A 411 -0.659 11.078 0.250 1.00 12.32 H new ATOM 0 HA LEU A 411 -1.897 8.653 0.617 1.00 54.31 H new ATOM 0 HB2 LEU A 411 0.755 9.672 1.533 1.00 13.22 H new ATOM 0 HB3 LEU A 411 0.211 8.061 1.956 1.00 13.22 H new ATOM 0 HG LEU A 411 0.479 9.118 -0.871 1.00 35.54 H new ATOM 0 HD11 LEU A 411 2.402 7.602 -0.996 1.00 11.22 H new ATOM 0 HD12 LEU A 411 2.633 8.855 0.246 1.00 11.22 H new ATOM 0 HD13 LEU A 411 2.190 7.199 0.725 1.00 11.22 H new ATOM 0 HD21 LEU A 411 0.160 6.746 -1.509 1.00 64.33 H new ATOM 0 HD22 LEU A 411 -0.097 6.325 0.201 1.00 64.33 H new ATOM 0 HD23 LEU A 411 -1.257 7.381 -0.639 1.00 64.33 H new ATOM 142 N PRO A 412 -1.650 10.142 3.565 1.00 35.13 N ATOM 143 CA PRO A 412 -2.319 10.088 4.829 1.00 1.41 C ATOM 144 C PRO A 412 -3.753 10.638 4.705 1.00 10.55 C ATOM 145 O PRO A 412 -4.724 10.012 5.143 1.00 5.15 O ATOM 146 CB PRO A 412 -1.476 10.992 5.751 1.00 3.21 C ATOM 147 CG PRO A 412 -0.282 11.407 4.949 1.00 32.31 C ATOM 148 CD PRO A 412 -0.646 11.217 3.512 1.00 11.20 C ATOM 0 HA PRO A 412 -2.406 9.070 5.209 1.00 1.41 H new ATOM 0 HB2 PRO A 412 -2.049 11.861 6.074 1.00 3.21 H new ATOM 0 HB3 PRO A 412 -1.174 10.457 6.651 1.00 3.21 H new ATOM 0 HG2 PRO A 412 -0.023 12.447 5.149 1.00 32.31 H new ATOM 0 HG3 PRO A 412 0.589 10.806 5.211 1.00 32.31 H new ATOM 0 HD2 PRO A 412 -1.053 12.129 3.075 1.00 11.20 H new ATOM 0 HD3 PRO A 412 0.218 10.933 2.911 1.00 11.20 H new ATOM 156 N LEU A 413 -3.867 11.770 4.017 1.00 21.14 N ATOM 157 CA LEU A 413 -5.106 12.541 3.950 1.00 63.41 C ATOM 158 C LEU A 413 -6.274 11.827 3.285 1.00 1.23 C ATOM 159 O LEU A 413 -7.392 11.904 3.779 1.00 41.23 O ATOM 160 CB LEU A 413 -4.878 13.902 3.318 1.00 65.13 C ATOM 161 CG LEU A 413 -3.922 14.832 4.068 1.00 73.34 C ATOM 162 CD1 LEU A 413 -3.835 16.155 3.357 1.00 30.11 C ATOM 163 CD2 LEU A 413 -4.364 15.037 5.515 1.00 44.42 C ATOM 0 H LEU A 413 -3.099 12.181 3.487 1.00 21.14 H new ATOM 0 HA LEU A 413 -5.404 12.670 4.991 1.00 63.41 H new ATOM 0 HB2 LEU A 413 -4.493 13.753 2.309 1.00 65.13 H new ATOM 0 HB3 LEU A 413 -5.841 14.403 3.221 1.00 65.13 H new ATOM 0 HG LEU A 413 -2.937 14.365 4.085 1.00 73.34 H new ATOM 0 HD11 LEU A 413 -3.153 16.813 3.895 1.00 30.11 H new ATOM 0 HD12 LEU A 413 -3.465 16.000 2.343 1.00 30.11 H new ATOM 0 HD13 LEU A 413 -4.824 16.612 3.316 1.00 30.11 H new ATOM 0 HD21 LEU A 413 -3.663 15.703 6.019 1.00 44.42 H new ATOM 0 HD22 LEU A 413 -5.360 15.479 5.532 1.00 44.42 H new ATOM 0 HD23 LEU A 413 -4.385 14.076 6.029 1.00 44.42 H new ATOM 175 N LEU A 414 -6.030 11.126 2.188 1.00 45.23 N ATOM 176 CA LEU A 414 -7.106 10.434 1.483 1.00 5.34 C ATOM 177 C LEU A 414 -7.647 9.298 2.339 1.00 10.50 C ATOM 178 O LEU A 414 -8.845 9.012 2.334 1.00 70.31 O ATOM 179 CB LEU A 414 -6.632 9.911 0.114 1.00 73.32 C ATOM 180 CG LEU A 414 -7.668 9.163 -0.733 1.00 61.33 C ATOM 181 CD1 LEU A 414 -8.849 10.060 -1.079 1.00 63.11 C ATOM 182 CD2 LEU A 414 -7.031 8.607 -1.995 1.00 31.44 C ATOM 0 H LEU A 414 -5.107 11.020 1.767 1.00 45.23 H new ATOM 0 HA LEU A 414 -7.909 11.148 1.301 1.00 5.34 H new ATOM 0 HB2 LEU A 414 -6.266 10.758 -0.466 1.00 73.32 H new ATOM 0 HB3 LEU A 414 -5.783 9.247 0.279 1.00 73.32 H new ATOM 0 HG LEU A 414 -8.043 8.329 -0.140 1.00 61.33 H new ATOM 0 HD11 LEU A 414 -9.566 9.501 -1.680 1.00 63.11 H new ATOM 0 HD12 LEU A 414 -9.330 10.398 -0.161 1.00 63.11 H new ATOM 0 HD13 LEU A 414 -8.497 10.923 -1.644 1.00 63.11 H new ATOM 0 HD21 LEU A 414 -7.784 8.080 -2.581 1.00 31.44 H new ATOM 0 HD22 LEU A 414 -6.619 9.425 -2.585 1.00 31.44 H new ATOM 0 HD23 LEU A 414 -6.232 7.916 -1.725 1.00 31.44 H new ATOM 194 N TRP A 415 -6.769 8.674 3.096 1.00 44.52 N ATOM 195 CA TRP A 415 -7.167 7.617 3.986 1.00 31.34 C ATOM 196 C TRP A 415 -7.957 8.132 5.179 1.00 14.41 C ATOM 197 O TRP A 415 -8.894 7.477 5.632 1.00 3.54 O ATOM 198 CB TRP A 415 -6.003 6.702 4.364 1.00 34.25 C ATOM 199 CG TRP A 415 -5.713 5.665 3.302 1.00 4.12 C ATOM 200 CD1 TRP A 415 -5.956 4.328 3.406 1.00 44.11 C ATOM 201 CD2 TRP A 415 -5.175 5.863 1.973 1.00 50.41 C ATOM 202 NE1 TRP A 415 -5.590 3.686 2.256 1.00 53.11 N ATOM 203 CE2 TRP A 415 -5.113 4.598 1.359 1.00 13.23 C ATOM 204 CE3 TRP A 415 -4.740 6.974 1.250 1.00 74.32 C ATOM 205 CZ2 TRP A 415 -4.634 4.417 0.064 1.00 73.32 C ATOM 206 CZ3 TRP A 415 -4.266 6.794 -0.032 1.00 1.14 C ATOM 207 CH2 TRP A 415 -4.218 5.526 -0.614 1.00 75.23 C ATOM 0 H TRP A 415 -5.771 8.886 3.109 1.00 44.52 H new ATOM 0 HA TRP A 415 -7.861 6.982 3.434 1.00 31.34 H new ATOM 0 HB2 TRP A 415 -5.111 7.305 4.532 1.00 34.25 H new ATOM 0 HB3 TRP A 415 -6.230 6.200 5.305 1.00 34.25 H new ATOM 0 HD1 TRP A 415 -6.378 3.844 4.274 1.00 44.11 H new ATOM 0 HE1 TRP A 415 -5.662 2.682 2.093 1.00 53.11 H new ATOM 0 HE3 TRP A 415 -4.774 7.961 1.688 1.00 74.32 H new ATOM 0 HZ2 TRP A 415 -4.593 3.436 -0.387 1.00 73.32 H new ATOM 0 HZ3 TRP A 415 -3.926 7.650 -0.596 1.00 1.14 H new ATOM 0 HH2 TRP A 415 -3.844 5.420 -1.622 1.00 75.23 H new ATOM 218 N PHE A 416 -7.613 9.308 5.674 1.00 53.05 N ATOM 219 CA PHE A 416 -8.402 9.917 6.742 1.00 40.42 C ATOM 220 C PHE A 416 -9.726 10.458 6.198 1.00 12.13 C ATOM 221 O PHE A 416 -10.732 10.493 6.901 1.00 44.10 O ATOM 222 CB PHE A 416 -7.637 11.018 7.489 1.00 41.04 C ATOM 223 CG PHE A 416 -6.421 10.539 8.231 1.00 12.12 C ATOM 224 CD1 PHE A 416 -6.539 9.612 9.253 1.00 24.53 C ATOM 225 CD2 PHE A 416 -5.166 11.026 7.921 1.00 54.13 C ATOM 226 CE1 PHE A 416 -5.426 9.178 9.945 1.00 32.41 C ATOM 227 CE2 PHE A 416 -4.048 10.596 8.608 1.00 20.13 C ATOM 228 CZ PHE A 416 -4.178 9.672 9.622 1.00 22.22 C ATOM 0 H PHE A 416 -6.810 9.855 5.364 1.00 53.05 H new ATOM 0 HA PHE A 416 -8.611 9.129 7.465 1.00 40.42 H new ATOM 0 HB2 PHE A 416 -7.333 11.781 6.773 1.00 41.04 H new ATOM 0 HB3 PHE A 416 -8.314 11.497 8.197 1.00 41.04 H new ATOM 0 HD1 PHE A 416 -7.513 9.224 9.512 1.00 24.53 H new ATOM 0 HD2 PHE A 416 -5.058 11.753 7.130 1.00 54.13 H new ATOM 0 HE1 PHE A 416 -5.532 8.453 10.738 1.00 32.41 H new ATOM 0 HE2 PHE A 416 -3.073 10.983 8.351 1.00 20.13 H new ATOM 0 HZ PHE A 416 -3.306 9.335 10.163 1.00 22.22 H new ATOM 238 N GLU A 417 -9.719 10.827 4.926 1.00 0.15 N ATOM 239 CA GLU A 417 -10.865 11.415 4.273 1.00 43.43 C ATOM 240 C GLU A 417 -11.926 10.350 4.106 1.00 64.05 C ATOM 241 O GLU A 417 -13.082 10.528 4.501 1.00 33.52 O ATOM 242 CB GLU A 417 -10.443 11.942 2.899 1.00 53.44 C ATOM 243 CG GLU A 417 -11.485 12.782 2.193 1.00 13.10 C ATOM 244 CD GLU A 417 -11.800 14.040 2.955 1.00 12.21 C ATOM 245 OE1 GLU A 417 -11.063 15.039 2.804 1.00 24.11 O ATOM 246 OE2 GLU A 417 -12.775 14.056 3.713 1.00 62.34 O ATOM 0 H GLU A 417 -8.907 10.723 4.318 1.00 0.15 H new ATOM 0 HA GLU A 417 -11.260 12.238 4.869 1.00 43.43 H new ATOM 0 HB2 GLU A 417 -9.537 12.536 3.016 1.00 53.44 H new ATOM 0 HB3 GLU A 417 -10.188 11.094 2.263 1.00 53.44 H new ATOM 0 HG2 GLU A 417 -11.128 13.041 1.196 1.00 13.10 H new ATOM 0 HG3 GLU A 417 -12.396 12.198 2.064 1.00 13.10 H new ATOM 253 N GLN A 418 -11.502 9.213 3.578 1.00 43.15 N ATOM 254 CA GLN A 418 -12.390 8.089 3.334 1.00 42.34 C ATOM 255 C GLN A 418 -12.813 7.424 4.646 1.00 62.24 C ATOM 256 O GLN A 418 -13.749 6.629 4.683 1.00 43.12 O ATOM 257 CB GLN A 418 -11.720 7.063 2.419 1.00 53.32 C ATOM 258 CG GLN A 418 -10.488 6.424 3.028 1.00 53.23 C ATOM 259 CD GLN A 418 -9.821 5.424 2.120 1.00 14.02 C ATOM 260 OE1 GLN A 418 -10.140 4.237 2.147 1.00 71.43 O ATOM 261 NE2 GLN A 418 -8.886 5.881 1.322 1.00 23.54 N ATOM 0 H GLN A 418 -10.533 9.044 3.307 1.00 43.15 H new ATOM 0 HA GLN A 418 -13.283 8.473 2.841 1.00 42.34 H new ATOM 0 HB2 GLN A 418 -12.440 6.283 2.172 1.00 53.32 H new ATOM 0 HB3 GLN A 418 -11.443 7.548 1.483 1.00 53.32 H new ATOM 0 HG2 GLN A 418 -9.772 7.205 3.284 1.00 53.23 H new ATOM 0 HG3 GLN A 418 -10.767 5.929 3.958 1.00 53.23 H new ATOM 0 HE21 GLN A 418 -8.650 6.873 1.329 1.00 23.54 H new ATOM 0 HE22 GLN A 418 -8.395 5.244 0.694 1.00 23.54 H new ATOM 270 N SER A 419 -12.106 7.751 5.712 1.00 34.12 N ATOM 271 CA SER A 419 -12.374 7.193 7.012 1.00 41.51 C ATOM 272 C SER A 419 -13.628 7.823 7.609 1.00 23.10 C ATOM 273 O SER A 419 -14.272 7.232 8.468 1.00 10.42 O ATOM 274 CB SER A 419 -11.158 7.418 7.934 1.00 11.42 C ATOM 275 OG SER A 419 -11.324 6.815 9.211 1.00 55.14 O ATOM 0 H SER A 419 -11.330 8.413 5.694 1.00 34.12 H new ATOM 0 HA SER A 419 -12.546 6.121 6.914 1.00 41.51 H new ATOM 0 HB2 SER A 419 -10.265 7.013 7.458 1.00 11.42 H new ATOM 0 HB3 SER A 419 -10.994 8.488 8.060 1.00 11.42 H new ATOM 0 HG SER A 419 -10.529 6.983 9.758 1.00 55.14 H new ATOM 281 N GLY A 420 -13.985 9.007 7.128 1.00 1.35 N ATOM 282 CA GLY A 420 -15.114 9.706 7.695 1.00 74.44 C ATOM 283 C GLY A 420 -14.756 10.231 9.055 1.00 54.33 C ATOM 284 O GLY A 420 -15.555 10.202 9.989 1.00 50.42 O ATOM 0 H GLY A 420 -13.516 9.490 6.362 1.00 1.35 H new ATOM 0 HA2 GLY A 420 -15.409 10.529 7.043 1.00 74.44 H new ATOM 0 HA3 GLY A 420 -15.970 9.035 7.768 1.00 74.44 H new ATOM 288 N ALA A 421 -13.543 10.710 9.153 1.00 72.23 N ATOM 289 CA ALA A 421 -12.974 11.191 10.381 1.00 13.43 C ATOM 290 C ALA A 421 -13.580 12.530 10.788 1.00 73.52 C ATOM 291 O ALA A 421 -13.598 12.881 11.960 1.00 72.54 O ATOM 292 CB ALA A 421 -11.462 11.271 10.249 1.00 65.11 C ATOM 0 H ALA A 421 -12.908 10.777 8.358 1.00 72.23 H new ATOM 0 HA ALA A 421 -13.212 10.487 11.178 1.00 13.43 H new ATOM 0 HB1 ALA A 421 -11.034 11.636 11.183 1.00 65.11 H new ATOM 0 HB2 ALA A 421 -11.063 10.281 10.030 1.00 65.11 H new ATOM 0 HB3 ALA A 421 -11.203 11.954 9.440 1.00 65.11 H new ATOM 535 N MET A 437 -12.319 12.171 -11.869 1.00 61.23 N ATOM 536 CA MET A 437 -11.098 12.856 -11.464 1.00 23.41 C ATOM 537 C MET A 437 -9.878 12.033 -11.858 1.00 64.04 C ATOM 538 O MET A 437 -9.643 10.976 -11.280 1.00 13.30 O ATOM 539 CB MET A 437 -11.098 13.041 -9.954 1.00 54.11 C ATOM 540 CG MET A 437 -10.157 14.115 -9.460 1.00 2.34 C ATOM 541 SD MET A 437 -10.685 15.748 -10.002 1.00 4.44 S ATOM 542 CE MET A 437 -12.319 15.836 -9.242 1.00 10.23 C ATOM 0 HA MET A 437 -11.058 13.825 -11.961 1.00 23.41 H new ATOM 0 HB2 MET A 437 -12.110 13.283 -9.629 1.00 54.11 H new ATOM 0 HB3 MET A 437 -10.830 12.095 -9.484 1.00 54.11 H new ATOM 0 HG2 MET A 437 -10.111 14.088 -8.371 1.00 2.34 H new ATOM 0 HG3 MET A 437 -9.150 13.916 -9.827 1.00 2.34 H new ATOM 0 HE1 MET A 437 -12.594 16.880 -9.090 1.00 10.23 H new ATOM 0 HE2 MET A 437 -13.050 15.359 -9.895 1.00 10.23 H new ATOM 0 HE3 MET A 437 -12.301 15.322 -8.281 1.00 10.23 H new ATOM 552 N PRO A 438 -9.076 12.511 -12.829 1.00 65.31 N ATOM 553 CA PRO A 438 -7.905 11.778 -13.352 1.00 41.24 C ATOM 554 C PRO A 438 -6.905 11.357 -12.267 1.00 64.40 C ATOM 555 O PRO A 438 -6.400 10.225 -12.285 1.00 33.41 O ATOM 556 CB PRO A 438 -7.254 12.780 -14.310 1.00 63.22 C ATOM 557 CG PRO A 438 -8.361 13.682 -14.716 1.00 14.04 C ATOM 558 CD PRO A 438 -9.250 13.806 -13.514 1.00 10.04 C ATOM 0 HA PRO A 438 -8.209 10.841 -13.818 1.00 41.24 H new ATOM 0 HB2 PRO A 438 -6.452 13.332 -13.821 1.00 63.22 H new ATOM 0 HB3 PRO A 438 -6.816 12.277 -15.172 1.00 63.22 H new ATOM 0 HG2 PRO A 438 -7.979 14.656 -15.022 1.00 14.04 H new ATOM 0 HG3 PRO A 438 -8.907 13.272 -15.566 1.00 14.04 H new ATOM 0 HD2 PRO A 438 -8.953 14.640 -12.878 1.00 10.04 H new ATOM 0 HD3 PRO A 438 -10.289 13.975 -13.798 1.00 10.04 H new ATOM 566 N GLN A 439 -6.636 12.242 -11.307 1.00 44.54 N ATOM 567 CA GLN A 439 -5.669 11.923 -10.264 1.00 12.34 C ATOM 568 C GLN A 439 -6.182 10.815 -9.350 1.00 24.24 C ATOM 569 O GLN A 439 -5.450 9.896 -9.020 1.00 3.23 O ATOM 570 CB GLN A 439 -5.228 13.166 -9.458 1.00 32.24 C ATOM 571 CG GLN A 439 -6.320 13.861 -8.644 1.00 14.42 C ATOM 572 CD GLN A 439 -5.811 15.122 -7.971 1.00 45.14 C ATOM 573 OE1 GLN A 439 -4.915 15.791 -8.484 1.00 33.14 O ATOM 574 NE2 GLN A 439 -6.365 15.456 -6.832 1.00 21.43 N ATOM 0 H GLN A 439 -7.064 13.165 -11.232 1.00 44.54 H new ATOM 0 HA GLN A 439 -4.777 11.553 -10.770 1.00 12.34 H new ATOM 0 HB2 GLN A 439 -4.430 12.869 -8.778 1.00 32.24 H new ATOM 0 HB3 GLN A 439 -4.802 13.891 -10.151 1.00 32.24 H new ATOM 0 HG2 GLN A 439 -7.156 14.111 -9.297 1.00 14.42 H new ATOM 0 HG3 GLN A 439 -6.701 13.175 -7.888 1.00 14.42 H new ATOM 0 HE21 GLN A 439 -7.106 14.877 -6.436 1.00 21.43 H new ATOM 0 HE22 GLN A 439 -6.056 16.295 -6.341 1.00 21.43 H new ATOM 583 N VAL A 440 -7.459 10.882 -9.002 1.00 50.35 N ATOM 584 CA VAL A 440 -8.061 9.897 -8.115 1.00 62.32 C ATOM 585 C VAL A 440 -8.292 8.586 -8.874 1.00 54.54 C ATOM 586 O VAL A 440 -8.218 7.499 -8.303 1.00 40.03 O ATOM 587 CB VAL A 440 -9.389 10.415 -7.484 1.00 44.42 C ATOM 588 CG1 VAL A 440 -9.958 9.408 -6.495 1.00 53.22 C ATOM 589 CG2 VAL A 440 -9.171 11.755 -6.798 1.00 65.13 C ATOM 0 H VAL A 440 -8.099 11.609 -9.321 1.00 50.35 H new ATOM 0 HA VAL A 440 -7.369 9.717 -7.293 1.00 62.32 H new ATOM 0 HB VAL A 440 -10.110 10.546 -8.291 1.00 44.42 H new ATOM 0 HG11 VAL A 440 -10.884 9.797 -6.071 1.00 53.22 H new ATOM 0 HG12 VAL A 440 -10.161 8.468 -7.009 1.00 53.22 H new ATOM 0 HG13 VAL A 440 -9.237 9.236 -5.695 1.00 53.22 H new ATOM 0 HG21 VAL A 440 -10.110 12.099 -6.364 1.00 65.13 H new ATOM 0 HG22 VAL A 440 -8.427 11.643 -6.010 1.00 65.13 H new ATOM 0 HG23 VAL A 440 -8.820 12.485 -7.528 1.00 65.13 H new ATOM 599 N LEU A 441 -8.537 8.708 -10.176 1.00 74.31 N ATOM 600 CA LEU A 441 -8.740 7.562 -11.063 1.00 64.54 C ATOM 601 C LEU A 441 -7.485 6.670 -11.034 1.00 54.02 C ATOM 602 O LEU A 441 -7.580 5.453 -11.103 1.00 4.43 O ATOM 603 CB LEU A 441 -9.078 8.076 -12.502 1.00 12.12 C ATOM 604 CG LEU A 441 -9.560 7.064 -13.585 1.00 2.22 C ATOM 605 CD1 LEU A 441 -10.043 7.822 -14.805 1.00 4.14 C ATOM 606 CD2 LEU A 441 -8.460 6.099 -14.018 1.00 21.03 C ATOM 0 H LEU A 441 -8.601 9.609 -10.650 1.00 74.31 H new ATOM 0 HA LEU A 441 -9.581 6.955 -10.727 1.00 64.54 H new ATOM 0 HB2 LEU A 441 -9.849 8.840 -12.403 1.00 12.12 H new ATOM 0 HB3 LEU A 441 -8.187 8.570 -12.890 1.00 12.12 H new ATOM 0 HG LEU A 441 -10.365 6.479 -13.139 1.00 2.22 H new ATOM 0 HD11 LEU A 441 -10.380 7.115 -15.563 1.00 4.14 H new ATOM 0 HD12 LEU A 441 -10.870 8.475 -14.524 1.00 4.14 H new ATOM 0 HD13 LEU A 441 -9.227 8.423 -15.207 1.00 4.14 H new ATOM 0 HD21 LEU A 441 -8.851 5.417 -14.773 1.00 21.03 H new ATOM 0 HD22 LEU A 441 -7.625 6.662 -14.435 1.00 21.03 H new ATOM 0 HD23 LEU A 441 -8.117 5.527 -13.156 1.00 21.03 H new ATOM 618 N HIS A 442 -6.314 7.288 -10.880 1.00 5.42 N ATOM 619 CA HIS A 442 -5.060 6.531 -10.780 1.00 63.23 C ATOM 620 C HIS A 442 -5.070 5.635 -9.539 1.00 20.30 C ATOM 621 O HIS A 442 -4.515 4.542 -9.539 1.00 25.55 O ATOM 622 CB HIS A 442 -3.819 7.449 -10.767 1.00 32.21 C ATOM 623 CG HIS A 442 -3.606 8.234 -12.032 1.00 71.41 C ATOM 624 ND1 HIS A 442 -3.621 7.845 -13.328 1.00 33.03 N flip ATOM 625 CD2 HIS A 442 -3.304 9.575 -12.048 1.00 63.25 C flip ATOM 626 CE1 HIS A 442 -3.334 8.947 -14.084 1.00 45.01 C flip ATOM 627 NE2 HIS A 442 -3.148 9.975 -13.292 1.00 34.11 N flip ATOM 0 H HIS A 442 -6.204 8.300 -10.822 1.00 5.42 H new ATOM 0 HA HIS A 442 -4.993 5.908 -11.672 1.00 63.23 H new ATOM 0 HB2 HIS A 442 -3.908 8.146 -9.933 1.00 32.21 H new ATOM 0 HB3 HIS A 442 -2.935 6.840 -10.580 1.00 32.21 H new ATOM 0 HD1 HIS A 442 -3.811 6.905 -13.676 1.00 33.03 H new ATOM 0 HD2 HIS A 442 -3.209 10.203 -11.175 1.00 63.25 H new ATOM 0 HE1 HIS A 442 -3.271 8.968 -15.162 1.00 45.01 H new ATOM 636 N TYR A 443 -5.726 6.100 -8.494 1.00 12.01 N ATOM 637 CA TYR A 443 -5.861 5.330 -7.272 1.00 62.13 C ATOM 638 C TYR A 443 -6.919 4.258 -7.428 1.00 24.12 C ATOM 639 O TYR A 443 -6.850 3.203 -6.805 1.00 1.40 O ATOM 640 CB TYR A 443 -6.106 6.230 -6.055 1.00 14.14 C ATOM 641 CG TYR A 443 -4.925 7.130 -5.763 1.00 33.52 C ATOM 642 CD1 TYR A 443 -4.785 8.356 -6.398 1.00 15.43 C ATOM 643 CD2 TYR A 443 -3.936 6.740 -4.871 1.00 3.33 C ATOM 644 CE1 TYR A 443 -3.698 9.167 -6.161 1.00 13.22 C ATOM 645 CE2 TYR A 443 -2.844 7.550 -4.622 1.00 21.23 C ATOM 646 CZ TYR A 443 -2.730 8.764 -5.274 1.00 51.21 C ATOM 647 OH TYR A 443 -1.638 9.569 -5.044 1.00 74.43 O ATOM 0 H TYR A 443 -6.177 7.014 -8.467 1.00 12.01 H new ATOM 0 HA TYR A 443 -4.914 4.823 -7.084 1.00 62.13 H new ATOM 0 HB2 TYR A 443 -6.992 6.841 -6.229 1.00 14.14 H new ATOM 0 HB3 TYR A 443 -6.313 5.610 -5.183 1.00 14.14 H new ATOM 0 HD1 TYR A 443 -5.545 8.681 -7.093 1.00 15.43 H new ATOM 0 HD2 TYR A 443 -4.021 5.790 -4.364 1.00 3.33 H new ATOM 0 HE1 TYR A 443 -3.607 10.115 -6.670 1.00 13.22 H new ATOM 0 HE2 TYR A 443 -2.084 7.236 -3.922 1.00 21.23 H new ATOM 0 HH TYR A 443 -1.048 9.140 -4.390 1.00 74.43 H new ATOM 657 N ALA A 444 -7.881 4.527 -8.278 1.00 33.25 N ATOM 658 CA ALA A 444 -8.902 3.556 -8.622 1.00 31.21 C ATOM 659 C ALA A 444 -8.268 2.421 -9.401 1.00 30.33 C ATOM 660 O ALA A 444 -8.690 1.270 -9.300 1.00 73.33 O ATOM 661 CB ALA A 444 -10.020 4.202 -9.411 1.00 32.15 C ATOM 0 H ALA A 444 -7.981 5.424 -8.753 1.00 33.25 H new ATOM 0 HA ALA A 444 -9.341 3.158 -7.707 1.00 31.21 H new ATOM 0 HB1 ALA A 444 -10.772 3.452 -9.656 1.00 32.15 H new ATOM 0 HB2 ALA A 444 -10.476 4.993 -8.815 1.00 32.15 H new ATOM 0 HB3 ALA A 444 -9.618 4.627 -10.331 1.00 32.15 H new ATOM 667 N GLN A 445 -7.252 2.755 -10.190 1.00 70.12 N ATOM 668 CA GLN A 445 -6.454 1.756 -10.879 1.00 75.10 C ATOM 669 C GLN A 445 -5.761 0.870 -9.863 1.00 1.33 C ATOM 670 O GLN A 445 -5.742 -0.340 -10.008 1.00 42.41 O ATOM 671 CB GLN A 445 -5.424 2.401 -11.794 1.00 21.34 C ATOM 672 CG GLN A 445 -6.011 3.167 -12.957 1.00 54.54 C ATOM 673 CD GLN A 445 -4.947 3.846 -13.778 1.00 74.34 C ATOM 674 OE1 GLN A 445 -4.595 4.987 -13.528 1.00 61.12 O ATOM 675 NE2 GLN A 445 -4.410 3.145 -14.752 1.00 24.21 N ATOM 0 H GLN A 445 -6.963 3.717 -10.367 1.00 70.12 H new ATOM 0 HA GLN A 445 -7.120 1.155 -11.498 1.00 75.10 H new ATOM 0 HB2 GLN A 445 -4.806 3.078 -11.204 1.00 21.34 H new ATOM 0 HB3 GLN A 445 -4.765 1.625 -12.182 1.00 21.34 H new ATOM 0 HG2 GLN A 445 -6.579 2.486 -13.591 1.00 54.54 H new ATOM 0 HG3 GLN A 445 -6.712 3.913 -12.583 1.00 54.54 H new ATOM 0 HE21 GLN A 445 -4.730 2.193 -14.932 1.00 24.21 H new ATOM 0 HE22 GLN A 445 -3.673 3.553 -15.328 1.00 24.21 H new ATOM 684 N TYR A 446 -5.216 1.481 -8.811 1.00 14.52 N ATOM 685 CA TYR A 446 -4.568 0.722 -7.732 1.00 51.03 C ATOM 686 C TYR A 446 -5.552 -0.271 -7.115 1.00 4.15 C ATOM 687 O TYR A 446 -5.198 -1.422 -6.829 1.00 70.14 O ATOM 688 CB TYR A 446 -3.999 1.653 -6.648 1.00 33.20 C ATOM 689 CG TYR A 446 -2.910 2.591 -7.124 1.00 1.12 C ATOM 690 CD1 TYR A 446 -1.929 2.173 -8.014 1.00 10.14 C ATOM 691 CD2 TYR A 446 -2.858 3.890 -6.667 1.00 33.23 C ATOM 692 CE1 TYR A 446 -0.935 3.033 -8.433 1.00 11.51 C ATOM 693 CE2 TYR A 446 -1.874 4.754 -7.080 1.00 34.34 C ATOM 694 CZ TYR A 446 -0.915 4.324 -7.962 1.00 35.03 C ATOM 695 OH TYR A 446 0.076 5.195 -8.371 1.00 23.42 O ATOM 0 H TYR A 446 -5.208 2.492 -8.680 1.00 14.52 H new ATOM 0 HA TYR A 446 -3.734 0.172 -8.169 1.00 51.03 H new ATOM 0 HB2 TYR A 446 -4.814 2.246 -6.234 1.00 33.20 H new ATOM 0 HB3 TYR A 446 -3.604 1.043 -5.836 1.00 33.20 H new ATOM 0 HD1 TYR A 446 -1.945 1.158 -8.384 1.00 10.14 H new ATOM 0 HD2 TYR A 446 -3.607 4.236 -5.970 1.00 33.23 H new ATOM 0 HE1 TYR A 446 -0.179 2.694 -9.126 1.00 11.51 H new ATOM 0 HE2 TYR A 446 -1.855 5.769 -6.712 1.00 34.34 H new ATOM 0 HH TYR A 446 -0.058 6.067 -7.944 1.00 23.42 H new ATOM 705 N VAL A 447 -6.790 0.181 -6.945 1.00 53.44 N ATOM 706 CA VAL A 447 -7.868 -0.658 -6.436 1.00 1.42 C ATOM 707 C VAL A 447 -8.186 -1.778 -7.439 1.00 62.20 C ATOM 708 O VAL A 447 -8.408 -2.925 -7.053 1.00 11.15 O ATOM 709 CB VAL A 447 -9.159 0.179 -6.157 1.00 22.45 C ATOM 710 CG1 VAL A 447 -10.291 -0.699 -5.635 1.00 51.04 C ATOM 711 CG2 VAL A 447 -8.867 1.296 -5.171 1.00 44.01 C ATOM 0 H VAL A 447 -7.074 1.138 -7.156 1.00 53.44 H new ATOM 0 HA VAL A 447 -7.533 -1.095 -5.495 1.00 1.42 H new ATOM 0 HB VAL A 447 -9.479 0.616 -7.103 1.00 22.45 H new ATOM 0 HG11 VAL A 447 -11.173 -0.085 -5.452 1.00 51.04 H new ATOM 0 HG12 VAL A 447 -10.529 -1.464 -6.374 1.00 51.04 H new ATOM 0 HG13 VAL A 447 -9.982 -1.177 -4.705 1.00 51.04 H new ATOM 0 HG21 VAL A 447 -9.777 1.868 -4.989 1.00 44.01 H new ATOM 0 HG22 VAL A 447 -8.513 0.870 -4.233 1.00 44.01 H new ATOM 0 HG23 VAL A 447 -8.101 1.954 -5.583 1.00 44.01 H new ATOM 721 N LEU A 448 -8.185 -1.432 -8.720 1.00 2.51 N ATOM 722 CA LEU A 448 -8.451 -2.365 -9.788 1.00 14.10 C ATOM 723 C LEU A 448 -7.423 -3.503 -9.815 1.00 71.33 C ATOM 724 O LEU A 448 -7.790 -4.672 -9.887 1.00 12.25 O ATOM 725 CB LEU A 448 -8.481 -1.624 -11.126 1.00 3.22 C ATOM 726 CG LEU A 448 -8.665 -2.487 -12.358 1.00 20.42 C ATOM 727 CD1 LEU A 448 -9.989 -3.242 -12.307 1.00 73.41 C ATOM 728 CD2 LEU A 448 -8.552 -1.663 -13.628 1.00 61.54 C ATOM 0 H LEU A 448 -7.996 -0.483 -9.042 1.00 2.51 H new ATOM 0 HA LEU A 448 -9.426 -2.819 -9.610 1.00 14.10 H new ATOM 0 HB2 LEU A 448 -9.288 -0.892 -11.095 1.00 3.22 H new ATOM 0 HB3 LEU A 448 -7.550 -1.068 -11.232 1.00 3.22 H new ATOM 0 HG LEU A 448 -7.862 -3.224 -12.370 1.00 20.42 H new ATOM 0 HD11 LEU A 448 -10.094 -3.853 -13.204 1.00 73.41 H new ATOM 0 HD12 LEU A 448 -10.008 -3.884 -11.426 1.00 73.41 H new ATOM 0 HD13 LEU A 448 -10.812 -2.530 -12.255 1.00 73.41 H new ATOM 0 HD21 LEU A 448 -8.688 -2.310 -14.495 1.00 61.54 H new ATOM 0 HD22 LEU A 448 -9.319 -0.889 -13.629 1.00 61.54 H new ATOM 0 HD23 LEU A 448 -7.567 -1.198 -13.674 1.00 61.54 H new ATOM 740 N LEU A 449 -6.143 -3.158 -9.746 1.00 24.41 N ATOM 741 CA LEU A 449 -5.083 -4.175 -9.721 1.00 12.44 C ATOM 742 C LEU A 449 -5.196 -5.060 -8.483 1.00 10.01 C ATOM 743 O LEU A 449 -4.934 -6.270 -8.542 1.00 13.22 O ATOM 744 CB LEU A 449 -3.667 -3.563 -9.852 1.00 54.31 C ATOM 745 CG LEU A 449 -3.210 -3.094 -11.266 1.00 54.42 C ATOM 746 CD1 LEU A 449 -4.130 -2.055 -11.870 1.00 13.22 C ATOM 747 CD2 LEU A 449 -1.792 -2.566 -11.211 1.00 25.05 C ATOM 0 H LEU A 449 -5.810 -2.195 -9.706 1.00 24.41 H new ATOM 0 HA LEU A 449 -5.230 -4.803 -10.599 1.00 12.44 H new ATOM 0 HB2 LEU A 449 -3.608 -2.708 -9.179 1.00 54.31 H new ATOM 0 HB3 LEU A 449 -2.948 -4.300 -9.494 1.00 54.31 H new ATOM 0 HG LEU A 449 -3.252 -3.969 -11.915 1.00 54.42 H new ATOM 0 HD11 LEU A 449 -3.759 -1.768 -12.854 1.00 13.22 H new ATOM 0 HD12 LEU A 449 -5.133 -2.470 -11.967 1.00 13.22 H new ATOM 0 HD13 LEU A 449 -4.161 -1.177 -11.224 1.00 13.22 H new ATOM 0 HD21 LEU A 449 -1.486 -2.242 -12.206 1.00 25.05 H new ATOM 0 HD22 LEU A 449 -1.745 -1.722 -10.523 1.00 25.05 H new ATOM 0 HD23 LEU A 449 -1.124 -3.354 -10.864 1.00 25.05 H new ATOM 759 N GLY A 450 -5.615 -4.463 -7.372 1.00 64.33 N ATOM 760 CA GLY A 450 -5.827 -5.222 -6.157 1.00 31.33 C ATOM 761 C GLY A 450 -6.989 -6.185 -6.314 1.00 4.22 C ATOM 762 O GLY A 450 -6.918 -7.348 -5.894 1.00 72.04 O ATOM 0 H GLY A 450 -5.811 -3.465 -7.293 1.00 64.33 H new ATOM 0 HA2 GLY A 450 -4.922 -5.776 -5.907 1.00 31.33 H new ATOM 0 HA3 GLY A 450 -6.023 -4.542 -5.328 1.00 31.33 H new ATOM 766 N LEU A 451 -8.045 -5.700 -6.953 1.00 10.23 N ATOM 767 CA LEU A 451 -9.238 -6.486 -7.216 1.00 24.24 C ATOM 768 C LEU A 451 -8.902 -7.647 -8.140 1.00 2.15 C ATOM 769 O LEU A 451 -9.442 -8.736 -7.993 1.00 75.51 O ATOM 770 CB LEU A 451 -10.332 -5.605 -7.843 1.00 63.15 C ATOM 771 CG LEU A 451 -11.680 -6.279 -8.129 1.00 71.13 C ATOM 772 CD1 LEU A 451 -12.328 -6.776 -6.839 1.00 14.02 C ATOM 773 CD2 LEU A 451 -12.606 -5.322 -8.856 1.00 21.10 C ATOM 0 H LEU A 451 -8.096 -4.744 -7.305 1.00 10.23 H new ATOM 0 HA LEU A 451 -9.612 -6.883 -6.272 1.00 24.24 H new ATOM 0 HB2 LEU A 451 -10.509 -4.759 -7.179 1.00 63.15 H new ATOM 0 HB3 LEU A 451 -9.948 -5.201 -8.780 1.00 63.15 H new ATOM 0 HG LEU A 451 -11.499 -7.142 -8.769 1.00 71.13 H new ATOM 0 HD11 LEU A 451 -13.282 -7.250 -7.070 1.00 14.02 H new ATOM 0 HD12 LEU A 451 -11.671 -7.500 -6.357 1.00 14.02 H new ATOM 0 HD13 LEU A 451 -12.494 -5.934 -6.167 1.00 14.02 H new ATOM 0 HD21 LEU A 451 -13.558 -5.815 -9.052 1.00 21.10 H new ATOM 0 HD22 LEU A 451 -12.774 -4.439 -8.239 1.00 21.10 H new ATOM 0 HD23 LEU A 451 -12.152 -5.023 -9.800 1.00 21.10 H new ATOM 785 N GLY A 452 -7.995 -7.399 -9.083 1.00 53.43 N ATOM 786 CA GLY A 452 -7.542 -8.433 -9.994 1.00 62.41 C ATOM 787 C GLY A 452 -6.919 -9.596 -9.250 1.00 63.11 C ATOM 788 O GLY A 452 -7.125 -10.764 -9.615 1.00 0.23 O ATOM 0 H GLY A 452 -7.562 -6.487 -9.231 1.00 53.43 H new ATOM 0 HA2 GLY A 452 -8.383 -8.789 -10.589 1.00 62.41 H new ATOM 0 HA3 GLY A 452 -6.815 -8.013 -10.689 1.00 62.41 H new ATOM 792 N GLY A 453 -6.173 -9.281 -8.201 1.00 43.15 N ATOM 793 CA GLY A 453 -5.573 -10.306 -7.379 1.00 62.51 C ATOM 794 C GLY A 453 -6.632 -11.063 -6.614 1.00 52.22 C ATOM 795 O GLY A 453 -6.638 -12.288 -6.605 1.00 71.10 O ATOM 0 H GLY A 453 -5.973 -8.326 -7.905 1.00 43.15 H new ATOM 0 HA2 GLY A 453 -5.006 -10.996 -8.005 1.00 62.51 H new ATOM 0 HA3 GLY A 453 -4.867 -9.854 -6.682 1.00 62.51 H new ATOM 799 N LEU A 454 -7.554 -10.312 -6.012 1.00 5.45 N ATOM 800 CA LEU A 454 -8.681 -10.865 -5.250 1.00 20.12 C ATOM 801 C LEU A 454 -9.492 -11.811 -6.144 1.00 21.31 C ATOM 802 O LEU A 454 -9.924 -12.882 -5.713 1.00 42.40 O ATOM 803 CB LEU A 454 -9.551 -9.674 -4.720 1.00 42.11 C ATOM 804 CG LEU A 454 -10.763 -9.959 -3.779 1.00 41.41 C ATOM 805 CD1 LEU A 454 -11.275 -8.651 -3.220 1.00 63.34 C ATOM 806 CD2 LEU A 454 -11.913 -10.648 -4.504 1.00 51.33 C ATOM 0 H LEU A 454 -7.542 -9.292 -6.038 1.00 5.45 H new ATOM 0 HA LEU A 454 -8.328 -11.445 -4.397 1.00 20.12 H new ATOM 0 HB2 LEU A 454 -8.883 -8.992 -4.193 1.00 42.11 H new ATOM 0 HB3 LEU A 454 -9.933 -9.138 -5.589 1.00 42.11 H new ATOM 0 HG LEU A 454 -10.410 -10.623 -2.989 1.00 41.41 H new ATOM 0 HD11 LEU A 454 -12.122 -8.843 -2.562 1.00 63.34 H new ATOM 0 HD12 LEU A 454 -10.481 -8.161 -2.656 1.00 63.34 H new ATOM 0 HD13 LEU A 454 -11.591 -8.004 -4.039 1.00 63.34 H new ATOM 0 HD21 LEU A 454 -12.731 -10.824 -3.805 1.00 51.33 H new ATOM 0 HD22 LEU A 454 -12.262 -10.013 -5.319 1.00 51.33 H new ATOM 0 HD23 LEU A 454 -11.570 -11.601 -4.908 1.00 51.33 H new ATOM 818 N LEU A 455 -9.652 -11.411 -7.395 1.00 24.14 N ATOM 819 CA LEU A 455 -10.398 -12.164 -8.389 1.00 21.30 C ATOM 820 C LEU A 455 -9.820 -13.569 -8.598 1.00 1.15 C ATOM 821 O LEU A 455 -10.541 -14.483 -8.956 1.00 53.01 O ATOM 822 CB LEU A 455 -10.457 -11.395 -9.715 1.00 34.44 C ATOM 823 CG LEU A 455 -11.278 -12.040 -10.835 1.00 51.34 C ATOM 824 CD1 LEU A 455 -12.731 -12.209 -10.412 1.00 32.52 C ATOM 825 CD2 LEU A 455 -11.183 -11.214 -12.104 1.00 63.23 C ATOM 0 H LEU A 455 -9.261 -10.540 -7.754 1.00 24.14 H new ATOM 0 HA LEU A 455 -11.413 -12.287 -8.012 1.00 21.30 H new ATOM 0 HB2 LEU A 455 -10.865 -10.404 -9.518 1.00 34.44 H new ATOM 0 HB3 LEU A 455 -9.438 -11.254 -10.075 1.00 34.44 H new ATOM 0 HG LEU A 455 -10.867 -13.029 -11.035 1.00 51.34 H new ATOM 0 HD11 LEU A 455 -13.295 -12.669 -11.223 1.00 32.52 H new ATOM 0 HD12 LEU A 455 -12.781 -12.846 -9.529 1.00 32.52 H new ATOM 0 HD13 LEU A 455 -13.158 -11.233 -10.181 1.00 32.52 H new ATOM 0 HD21 LEU A 455 -11.772 -11.686 -12.890 1.00 63.23 H new ATOM 0 HD22 LEU A 455 -11.567 -10.211 -11.915 1.00 63.23 H new ATOM 0 HD23 LEU A 455 -10.142 -11.150 -12.419 1.00 63.23 H new ATOM 837 N LEU A 456 -8.524 -13.734 -8.367 1.00 75.40 N ATOM 838 CA LEU A 456 -7.890 -15.040 -8.513 1.00 50.22 C ATOM 839 C LEU A 456 -8.313 -15.969 -7.367 1.00 3.41 C ATOM 840 O LEU A 456 -8.425 -17.181 -7.545 1.00 1.14 O ATOM 841 CB LEU A 456 -6.358 -14.905 -8.564 1.00 71.22 C ATOM 842 CG LEU A 456 -5.556 -16.214 -8.685 1.00 72.11 C ATOM 843 CD1 LEU A 456 -5.905 -16.960 -9.967 1.00 71.32 C ATOM 844 CD2 LEU A 456 -4.063 -15.932 -8.615 1.00 42.31 C ATOM 0 H LEU A 456 -7.894 -12.986 -8.079 1.00 75.40 H new ATOM 0 HA LEU A 456 -8.221 -15.477 -9.455 1.00 50.22 H new ATOM 0 HB2 LEU A 456 -6.100 -14.267 -9.410 1.00 71.22 H new ATOM 0 HB3 LEU A 456 -6.031 -14.387 -7.663 1.00 71.22 H new ATOM 0 HG LEU A 456 -5.828 -16.854 -7.845 1.00 72.11 H new ATOM 0 HD11 LEU A 456 -5.322 -17.879 -10.023 1.00 71.32 H new ATOM 0 HD12 LEU A 456 -6.968 -17.203 -9.969 1.00 71.32 H new ATOM 0 HD13 LEU A 456 -5.675 -16.332 -10.828 1.00 71.32 H new ATOM 0 HD21 LEU A 456 -3.511 -16.868 -8.702 1.00 42.31 H new ATOM 0 HD22 LEU A 456 -3.780 -15.267 -9.431 1.00 42.31 H new ATOM 0 HD23 LEU A 456 -3.826 -15.459 -7.662 1.00 42.31 H new ATOM 856 N LEU A 457 -8.567 -15.387 -6.210 1.00 73.24 N ATOM 857 CA LEU A 457 -8.990 -16.148 -5.036 1.00 73.40 C ATOM 858 C LEU A 457 -10.448 -16.581 -5.136 1.00 32.20 C ATOM 859 O LEU A 457 -10.825 -17.612 -4.589 1.00 51.25 O ATOM 860 CB LEU A 457 -8.739 -15.392 -3.705 1.00 12.53 C ATOM 861 CG LEU A 457 -7.272 -15.221 -3.230 1.00 5.34 C ATOM 862 CD1 LEU A 457 -6.443 -14.380 -4.188 1.00 21.44 C ATOM 863 CD2 LEU A 457 -7.235 -14.627 -1.831 1.00 53.11 C ATOM 0 H LEU A 457 -8.489 -14.382 -6.052 1.00 73.24 H new ATOM 0 HA LEU A 457 -8.366 -17.042 -5.023 1.00 73.40 H new ATOM 0 HB2 LEU A 457 -9.178 -14.399 -3.797 1.00 12.53 H new ATOM 0 HB3 LEU A 457 -9.287 -15.911 -2.918 1.00 12.53 H new ATOM 0 HG LEU A 457 -6.824 -16.214 -3.211 1.00 5.34 H new ATOM 0 HD11 LEU A 457 -5.425 -14.292 -3.808 1.00 21.44 H new ATOM 0 HD12 LEU A 457 -6.424 -14.857 -5.168 1.00 21.44 H new ATOM 0 HD13 LEU A 457 -6.884 -13.387 -4.276 1.00 21.44 H new ATOM 0 HD21 LEU A 457 -6.199 -14.513 -1.511 1.00 53.11 H new ATOM 0 HD22 LEU A 457 -7.722 -13.652 -1.837 1.00 53.11 H new ATOM 0 HD23 LEU A 457 -7.757 -15.290 -1.141 1.00 53.11 H new ATOM 875 N VAL A 458 -11.257 -15.792 -5.842 1.00 64.03 N ATOM 876 CA VAL A 458 -12.699 -16.063 -6.001 1.00 64.11 C ATOM 877 C VAL A 458 -12.998 -17.530 -6.457 1.00 0.11 C ATOM 878 O VAL A 458 -13.727 -18.252 -5.760 1.00 1.14 O ATOM 879 CB VAL A 458 -13.389 -15.028 -6.947 1.00 22.42 C ATOM 880 CG1 VAL A 458 -14.872 -15.328 -7.099 1.00 34.33 C ATOM 881 CG2 VAL A 458 -13.199 -13.616 -6.416 1.00 32.23 C ATOM 0 H VAL A 458 -10.940 -14.949 -6.321 1.00 64.03 H new ATOM 0 HA VAL A 458 -13.133 -15.948 -5.008 1.00 64.11 H new ATOM 0 HB VAL A 458 -12.920 -15.107 -7.928 1.00 22.42 H new ATOM 0 HG11 VAL A 458 -15.326 -14.592 -7.762 1.00 34.33 H new ATOM 0 HG12 VAL A 458 -15.000 -16.325 -7.521 1.00 34.33 H new ATOM 0 HG13 VAL A 458 -15.354 -15.283 -6.123 1.00 34.33 H new ATOM 0 HG21 VAL A 458 -13.685 -12.907 -7.086 1.00 32.23 H new ATOM 0 HG22 VAL A 458 -13.641 -13.538 -5.423 1.00 32.23 H new ATOM 0 HG23 VAL A 458 -12.134 -13.389 -6.358 1.00 32.23 H new ATOM 891 N PRO A 459 -12.434 -18.009 -7.612 1.00 25.12 N ATOM 892 CA PRO A 459 -12.642 -19.387 -8.066 1.00 40.44 C ATOM 893 C PRO A 459 -12.008 -20.410 -7.117 1.00 12.43 C ATOM 894 O PRO A 459 -12.434 -21.566 -7.057 1.00 11.52 O ATOM 895 CB PRO A 459 -11.949 -19.426 -9.431 1.00 31.54 C ATOM 896 CG PRO A 459 -10.953 -18.334 -9.375 1.00 61.33 C ATOM 897 CD PRO A 459 -11.596 -17.257 -8.567 1.00 30.44 C ATOM 0 HA PRO A 459 -13.700 -19.646 -8.105 1.00 40.44 H new ATOM 0 HB2 PRO A 459 -11.471 -20.390 -9.606 1.00 31.54 H new ATOM 0 HB3 PRO A 459 -12.661 -19.272 -10.242 1.00 31.54 H new ATOM 0 HG2 PRO A 459 -10.025 -18.671 -8.914 1.00 61.33 H new ATOM 0 HG3 PRO A 459 -10.701 -17.979 -10.374 1.00 61.33 H new ATOM 0 HD2 PRO A 459 -10.856 -16.641 -8.056 1.00 30.44 H new ATOM 0 HD3 PRO A 459 -12.193 -16.589 -9.188 1.00 30.44 H new ATOM 905 N ILE A 460 -11.001 -19.978 -6.363 1.00 12.43 N ATOM 906 CA ILE A 460 -10.342 -20.844 -5.401 1.00 14.14 C ATOM 907 C ILE A 460 -11.313 -21.166 -4.279 1.00 41.12 C ATOM 908 O ILE A 460 -11.409 -22.310 -3.843 1.00 2.51 O ATOM 909 CB ILE A 460 -9.038 -20.211 -4.823 1.00 23.23 C ATOM 910 CG1 ILE A 460 -8.017 -19.934 -5.944 1.00 71.21 C ATOM 911 CG2 ILE A 460 -8.419 -21.101 -3.744 1.00 74.02 C ATOM 912 CD1 ILE A 460 -7.567 -21.172 -6.704 1.00 24.00 C ATOM 0 H ILE A 460 -10.626 -19.030 -6.403 1.00 12.43 H new ATOM 0 HA ILE A 460 -10.044 -21.757 -5.918 1.00 14.14 H new ATOM 0 HB ILE A 460 -9.310 -19.262 -4.362 1.00 23.23 H new ATOM 0 HG12 ILE A 460 -8.454 -19.228 -6.650 1.00 71.21 H new ATOM 0 HG13 ILE A 460 -7.142 -19.451 -5.510 1.00 71.21 H new ATOM 0 HG21 ILE A 460 -7.512 -20.632 -3.362 1.00 74.02 H new ATOM 0 HG22 ILE A 460 -9.131 -21.233 -2.929 1.00 74.02 H new ATOM 0 HG23 ILE A 460 -8.172 -22.073 -4.171 1.00 74.02 H new ATOM 0 HD11 ILE A 460 -6.850 -20.886 -7.473 1.00 24.00 H new ATOM 0 HD12 ILE A 460 -7.098 -21.873 -6.013 1.00 24.00 H new ATOM 0 HD13 ILE A 460 -8.430 -21.646 -7.171 1.00 24.00 H new ATOM 924 N ILE A 461 -12.078 -20.154 -3.859 1.00 2.53 N ATOM 925 CA ILE A 461 -13.092 -20.308 -2.810 1.00 61.45 C ATOM 926 C ILE A 461 -14.117 -21.383 -3.206 1.00 3.25 C ATOM 927 O ILE A 461 -14.631 -22.119 -2.360 1.00 54.40 O ATOM 928 CB ILE A 461 -13.824 -18.956 -2.521 1.00 12.11 C ATOM 929 CG1 ILE A 461 -12.810 -17.885 -2.082 1.00 42.02 C ATOM 930 CG2 ILE A 461 -14.909 -19.131 -1.449 1.00 62.03 C ATOM 931 CD1 ILE A 461 -13.416 -16.511 -1.849 1.00 34.44 C ATOM 0 H ILE A 461 -12.013 -19.208 -4.235 1.00 2.53 H new ATOM 0 HA ILE A 461 -12.580 -20.620 -1.900 1.00 61.45 H new ATOM 0 HB ILE A 461 -14.308 -18.631 -3.442 1.00 12.11 H new ATOM 0 HG12 ILE A 461 -12.324 -18.216 -1.164 1.00 42.02 H new ATOM 0 HG13 ILE A 461 -12.033 -17.803 -2.842 1.00 42.02 H new ATOM 0 HG21 ILE A 461 -15.400 -18.175 -1.269 1.00 62.03 H new ATOM 0 HG22 ILE A 461 -15.645 -19.859 -1.791 1.00 62.03 H new ATOM 0 HG23 ILE A 461 -14.453 -19.484 -0.524 1.00 62.03 H new ATOM 0 HD11 ILE A 461 -12.634 -15.816 -1.543 1.00 34.44 H new ATOM 0 HD12 ILE A 461 -13.877 -16.156 -2.771 1.00 34.44 H new ATOM 0 HD13 ILE A 461 -14.172 -16.575 -1.066 1.00 34.44 H new ATOM 943 N CYS A 462 -14.353 -21.509 -4.498 1.00 13.44 N ATOM 944 CA CYS A 462 -15.309 -22.467 -5.008 1.00 61.33 C ATOM 945 C CYS A 462 -14.791 -23.889 -4.813 1.00 14.55 C ATOM 946 O CYS A 462 -15.562 -24.819 -4.581 1.00 12.12 O ATOM 947 CB CYS A 462 -15.582 -22.200 -6.490 1.00 2.34 C ATOM 948 SG CYS A 462 -16.173 -20.525 -6.847 1.00 54.24 S ATOM 0 H CYS A 462 -13.890 -20.953 -5.217 1.00 13.44 H new ATOM 0 HA CYS A 462 -16.242 -22.359 -4.454 1.00 61.33 H new ATOM 0 HB2 CYS A 462 -14.667 -22.378 -7.054 1.00 2.34 H new ATOM 0 HB3 CYS A 462 -16.321 -22.918 -6.847 1.00 2.34 H new ATOM 0 HG CYS A 462 -15.297 -19.658 -6.433 1.00 54.24 H new ATOM 954 N GLN A 463 -13.483 -24.038 -4.877 1.00 55.13 N ATOM 955 CA GLN A 463 -12.849 -25.345 -4.757 1.00 62.51 C ATOM 956 C GLN A 463 -12.769 -25.699 -3.302 1.00 22.43 C ATOM 957 O GLN A 463 -13.075 -26.808 -2.871 1.00 32.24 O ATOM 958 CB GLN A 463 -11.449 -25.310 -5.375 1.00 51.51 C ATOM 959 CG GLN A 463 -11.430 -25.039 -6.870 1.00 45.41 C ATOM 960 CD GLN A 463 -12.186 -26.093 -7.669 1.00 14.11 C ATOM 961 OE1 GLN A 463 -12.264 -27.263 -7.278 1.00 3.13 O ATOM 962 NE2 GLN A 463 -12.728 -25.700 -8.786 1.00 40.12 N ATOM 0 H GLN A 463 -12.830 -23.266 -5.012 1.00 55.13 H new ATOM 0 HA GLN A 463 -13.434 -26.095 -5.289 1.00 62.51 H new ATOM 0 HB2 GLN A 463 -10.862 -24.542 -4.871 1.00 51.51 H new ATOM 0 HB3 GLN A 463 -10.957 -26.264 -5.185 1.00 51.51 H new ATOM 0 HG2 GLN A 463 -11.868 -24.060 -7.063 1.00 45.41 H new ATOM 0 HG3 GLN A 463 -10.397 -25.000 -7.215 1.00 45.41 H new ATOM 0 HE21 GLN A 463 -12.644 -24.726 -9.079 1.00 40.12 H new ATOM 0 HE22 GLN A 463 -13.236 -26.366 -9.368 1.00 40.12 H new ATOM 971 N LEU A 464 -12.376 -24.701 -2.576 1.00 3.34 N ATOM 972 CA LEU A 464 -12.160 -24.672 -1.174 1.00 44.12 C ATOM 973 C LEU A 464 -13.382 -25.187 -0.406 1.00 72.34 C ATOM 974 O LEU A 464 -13.244 -25.937 0.562 1.00 64.20 O ATOM 975 CB LEU A 464 -11.886 -23.204 -0.908 1.00 35.11 C ATOM 976 CG LEU A 464 -11.425 -22.719 0.429 1.00 42.05 C ATOM 977 CD1 LEU A 464 -11.040 -21.275 0.246 1.00 64.24 C ATOM 978 CD2 LEU A 464 -12.519 -22.820 1.472 1.00 31.23 C ATOM 0 H LEU A 464 -12.180 -23.795 -3.001 1.00 3.34 H new ATOM 0 HA LEU A 464 -11.347 -25.319 -0.844 1.00 44.12 H new ATOM 0 HB2 LEU A 464 -11.138 -22.886 -1.634 1.00 35.11 H new ATOM 0 HB3 LEU A 464 -12.804 -22.665 -1.140 1.00 35.11 H new ATOM 0 HG LEU A 464 -10.593 -23.329 0.781 1.00 42.05 H new ATOM 0 HD11 LEU A 464 -10.694 -20.868 1.196 1.00 64.24 H new ATOM 0 HD12 LEU A 464 -10.242 -21.202 -0.493 1.00 64.24 H new ATOM 0 HD13 LEU A 464 -11.905 -20.708 -0.098 1.00 64.24 H new ATOM 0 HD21 LEU A 464 -12.144 -22.458 2.429 1.00 31.23 H new ATOM 0 HD22 LEU A 464 -13.372 -22.215 1.164 1.00 31.23 H new ATOM 0 HD23 LEU A 464 -12.830 -23.860 1.574 1.00 31.23 H new ATOM 990 N ARG A 465 -14.575 -24.813 -0.852 1.00 15.43 N ATOM 991 CA ARG A 465 -15.798 -25.226 -0.167 1.00 44.15 C ATOM 992 C ARG A 465 -16.010 -26.742 -0.190 1.00 53.20 C ATOM 993 O ARG A 465 -16.762 -27.281 0.625 1.00 75.21 O ATOM 994 CB ARG A 465 -17.030 -24.479 -0.673 1.00 54.32 C ATOM 995 CG ARG A 465 -16.970 -22.980 -0.425 1.00 62.30 C ATOM 996 CD ARG A 465 -18.262 -22.288 -0.822 1.00 64.02 C ATOM 997 NE ARG A 465 -19.409 -22.757 -0.027 1.00 13.25 N ATOM 998 CZ ARG A 465 -20.653 -22.267 -0.113 1.00 41.31 C ATOM 999 NH1 ARG A 465 -20.923 -21.273 -0.953 1.00 24.01 N ATOM 1000 NH2 ARG A 465 -21.624 -22.767 0.649 1.00 43.13 N ATOM 0 H ARG A 465 -14.724 -24.231 -1.676 1.00 15.43 H new ATOM 0 HA ARG A 465 -15.659 -24.946 0.877 1.00 44.15 H new ATOM 0 HB2 ARG A 465 -17.141 -24.659 -1.742 1.00 54.32 H new ATOM 0 HB3 ARG A 465 -17.917 -24.885 -0.187 1.00 54.32 H new ATOM 0 HG2 ARG A 465 -16.768 -22.794 0.630 1.00 62.30 H new ATOM 0 HG3 ARG A 465 -16.141 -22.552 -0.988 1.00 62.30 H new ATOM 0 HD2 ARG A 465 -18.150 -21.211 -0.695 1.00 64.02 H new ATOM 0 HD3 ARG A 465 -18.458 -22.466 -1.879 1.00 64.02 H new ATOM 0 HE ARG A 465 -19.244 -23.512 0.639 1.00 13.25 H new ATOM 0 HH11 ARG A 465 -20.182 -20.881 -1.534 1.00 24.01 H new ATOM 0 HH12 ARG A 465 -21.871 -20.902 -1.016 1.00 24.01 H new ATOM 0 HH21 ARG A 465 -21.422 -23.525 1.301 1.00 43.13 H new ATOM 0 HH22 ARG A 465 -22.570 -22.392 0.581 1.00 43.13 H new ATOM 1014 N SER A 466 -15.330 -27.426 -1.089 1.00 30.23 N ATOM 1015 CA SER A 466 -15.407 -28.866 -1.163 1.00 13.50 C ATOM 1016 C SER A 466 -14.568 -29.509 -0.043 1.00 11.54 C ATOM 1017 O SER A 466 -14.816 -30.646 0.363 1.00 3.12 O ATOM 1018 CB SER A 466 -14.956 -29.331 -2.537 1.00 2.13 C ATOM 1019 OG SER A 466 -15.785 -28.756 -3.551 1.00 52.25 O ATOM 0 H SER A 466 -14.714 -27.001 -1.782 1.00 30.23 H new ATOM 0 HA SER A 466 -16.440 -29.182 -1.018 1.00 13.50 H new ATOM 0 HB2 SER A 466 -13.917 -29.046 -2.702 1.00 2.13 H new ATOM 0 HB3 SER A 466 -15.001 -30.419 -2.594 1.00 2.13 H new ATOM 0 HG SER A 466 -15.484 -29.062 -4.432 1.00 52.25 H new ATOM 1025 N GLN A 467 -13.598 -28.763 0.458 1.00 11.10 N ATOM 1026 CA GLN A 467 -12.767 -29.214 1.556 1.00 42.22 C ATOM 1027 C GLN A 467 -13.408 -28.765 2.864 1.00 74.35 C ATOM 1028 O GLN A 467 -13.192 -29.356 3.926 1.00 61.05 O ATOM 1029 CB GLN A 467 -11.355 -28.634 1.428 1.00 65.22 C ATOM 1030 CG GLN A 467 -10.377 -29.117 2.487 1.00 62.00 C ATOM 1031 CD GLN A 467 -8.998 -28.511 2.335 1.00 21.03 C ATOM 1032 OE1 GLN A 467 -8.561 -28.181 1.227 1.00 74.25 O ATOM 1033 NE2 GLN A 467 -8.302 -28.365 3.427 1.00 51.31 N ATOM 0 H GLN A 467 -13.367 -27.831 0.115 1.00 11.10 H new ATOM 0 HA GLN A 467 -12.687 -30.301 1.537 1.00 42.22 H new ATOM 0 HB2 GLN A 467 -10.960 -28.887 0.444 1.00 65.22 H new ATOM 0 HB3 GLN A 467 -11.417 -27.547 1.477 1.00 65.22 H new ATOM 0 HG2 GLN A 467 -10.769 -28.873 3.474 1.00 62.00 H new ATOM 0 HG3 GLN A 467 -10.299 -30.203 2.434 1.00 62.00 H new ATOM 0 HE21 GLN A 467 -8.695 -28.649 4.324 1.00 51.31 H new ATOM 0 HE22 GLN A 467 -7.364 -27.967 3.384 1.00 51.31 H new ATOM 1042 N GLU A 468 -14.203 -27.709 2.761 1.00 72.24 N ATOM 1043 CA GLU A 468 -14.942 -27.163 3.886 1.00 51.42 C ATOM 1044 C GLU A 468 -16.023 -28.165 4.278 1.00 10.22 C ATOM 1045 O GLU A 468 -16.226 -28.448 5.457 1.00 2.41 O ATOM 1046 CB GLU A 468 -15.534 -25.784 3.473 1.00 33.41 C ATOM 1047 CG GLU A 468 -16.261 -24.959 4.558 1.00 1.52 C ATOM 1048 CD GLU A 468 -17.565 -25.558 5.049 1.00 23.21 C ATOM 1049 OE1 GLU A 468 -18.514 -25.678 4.241 1.00 51.42 O ATOM 1050 OE2 GLU A 468 -17.671 -25.873 6.259 1.00 21.43 O ATOM 0 H GLU A 468 -14.353 -27.205 1.887 1.00 72.24 H new ATOM 0 HA GLU A 468 -14.300 -27.001 4.752 1.00 51.42 H new ATOM 0 HB2 GLU A 468 -14.721 -25.175 3.078 1.00 33.41 H new ATOM 0 HB3 GLU A 468 -16.234 -25.951 2.654 1.00 33.41 H new ATOM 0 HG2 GLU A 468 -15.592 -24.835 5.409 1.00 1.52 H new ATOM 0 HG3 GLU A 468 -16.462 -23.963 4.163 1.00 1.52 H new