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 Single : A 404 SER OG : rot -45:sc= 1.22 USER MOD Single : A 405 LYS NZ :NH3+ -164:sc= -0.0563 (180deg=-0.31) USER MOD Single : A 418 GLN : amide:sc= -3! C(o=-3!,f=-8.1!) USER MOD Single : A 419 SER OG : rot 180:sc= 0 USER MOD Single : A 437 MET CE :methyl -150:sc= -0.513 (180deg=-1.77!) USER MOD Single : A 439 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 442 HIS : no HD1:sc= -0.668 K(o=-0.67,f=0.17) USER MOD Single : A 443 TYR OH : rot 180:sc= 0 USER MOD Single : A 445 GLN : amide:sc= -0.236 X(o=-0.24,f=-0.15) USER MOD Single : A 446 TYR OH : rot 180:sc= 0 USER MOD Single : A 462 CYS SG : rot 69:sc= 1.31 USER MOD Single : A 463 GLN : amide:sc= -0.0837 K(o=-0.084,f=-0.65) USER MOD Single : A 466 SER OG : rot 180:sc= 0 USER MOD Single : A 467 GLN : amide:sc= -0.0642 X(o=-0.064,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 10 N SER A 404 -8.867 1.013 -0.144 1.00 33.12 N ATOM 11 CA SER A 404 -9.670 0.426 -1.202 1.00 50.15 C ATOM 12 C SER A 404 -10.726 -0.552 -0.675 1.00 34.22 C ATOM 13 O SER A 404 -11.474 -1.123 -1.442 1.00 71.10 O ATOM 14 CB SER A 404 -8.771 -0.214 -2.260 1.00 14.12 C ATOM 15 OG SER A 404 -7.914 0.775 -2.835 1.00 4.12 O ATOM 0 HA SER A 404 -10.230 1.234 -1.673 1.00 50.15 H new ATOM 0 HB2 SER A 404 -8.174 -1.008 -1.810 1.00 14.12 H new ATOM 0 HB3 SER A 404 -9.381 -0.675 -3.037 1.00 14.12 H new ATOM 0 HG SER A 404 -8.433 1.582 -3.033 1.00 4.12 H new ATOM 21 N LYS A 405 -10.786 -0.724 0.633 1.00 54.04 N ATOM 22 CA LYS A 405 -11.810 -1.549 1.235 1.00 33.30 C ATOM 23 C LYS A 405 -13.136 -0.797 1.298 1.00 11.21 C ATOM 24 O LYS A 405 -14.198 -1.372 1.080 1.00 13.04 O ATOM 25 CB LYS A 405 -11.391 -1.991 2.632 1.00 64.52 C ATOM 26 CG LYS A 405 -12.451 -2.809 3.357 1.00 11.34 C ATOM 27 CD LYS A 405 -11.963 -3.282 4.704 1.00 35.01 C ATOM 28 CE LYS A 405 -10.849 -4.311 4.573 1.00 3.31 C ATOM 29 NZ LYS A 405 -11.313 -5.542 3.894 1.00 60.30 N ATOM 0 H LYS A 405 -10.136 -0.302 1.296 1.00 54.04 H new ATOM 0 HA LYS A 405 -11.941 -2.435 0.614 1.00 33.30 H new ATOM 0 HB2 LYS A 405 -10.477 -2.580 2.559 1.00 64.52 H new ATOM 0 HB3 LYS A 405 -11.155 -1.109 3.227 1.00 64.52 H new ATOM 0 HG2 LYS A 405 -13.350 -2.207 3.486 1.00 11.34 H new ATOM 0 HG3 LYS A 405 -12.728 -3.669 2.747 1.00 11.34 H new ATOM 0 HD2 LYS A 405 -11.604 -2.429 5.280 1.00 35.01 H new ATOM 0 HD3 LYS A 405 -12.794 -3.715 5.260 1.00 35.01 H new ATOM 0 HE2 LYS A 405 -10.019 -3.879 4.014 1.00 3.31 H new ATOM 0 HE3 LYS A 405 -10.469 -4.563 5.563 1.00 3.31 H new ATOM 0 HZ1 LYS A 405 -10.630 -6.308 4.060 1.00 60.30 H new ATOM 0 HZ2 LYS A 405 -12.242 -5.818 4.272 1.00 60.30 H new ATOM 0 HZ3 LYS A 405 -11.394 -5.365 2.872 1.00 60.30 H new ATOM 43 N ILE A 406 -13.066 0.506 1.551 1.00 3.41 N ATOM 44 CA ILE A 406 -14.269 1.315 1.727 1.00 24.34 C ATOM 45 C ILE A 406 -14.791 1.831 0.368 1.00 52.34 C ATOM 46 O ILE A 406 -15.940 2.255 0.246 1.00 11.12 O ATOM 47 CB ILE A 406 -14.006 2.513 2.720 1.00 53.50 C ATOM 48 CG1 ILE A 406 -15.294 3.289 3.049 1.00 60.14 C ATOM 49 CG2 ILE A 406 -12.947 3.465 2.179 1.00 15.22 C ATOM 50 CD1 ILE A 406 -16.347 2.468 3.770 1.00 41.44 C ATOM 0 H ILE A 406 -12.192 1.024 1.639 1.00 3.41 H new ATOM 0 HA ILE A 406 -15.038 0.679 2.165 1.00 24.34 H new ATOM 0 HB ILE A 406 -13.636 2.069 3.644 1.00 53.50 H new ATOM 0 HG12 ILE A 406 -15.038 4.152 3.664 1.00 60.14 H new ATOM 0 HG13 ILE A 406 -15.720 3.673 2.122 1.00 60.14 H new ATOM 0 HG21 ILE A 406 -12.792 4.278 2.889 1.00 15.22 H new ATOM 0 HG22 ILE A 406 -12.011 2.925 2.035 1.00 15.22 H new ATOM 0 HG23 ILE A 406 -13.279 3.875 1.225 1.00 15.22 H new ATOM 0 HD11 ILE A 406 -17.222 3.088 3.965 1.00 41.44 H new ATOM 0 HD12 ILE A 406 -16.635 1.619 3.149 1.00 41.44 H new ATOM 0 HD13 ILE A 406 -15.942 2.106 4.715 1.00 41.44 H new ATOM 62 N GLU A 407 -13.955 1.740 -0.652 1.00 40.22 N ATOM 63 CA GLU A 407 -14.305 2.245 -1.975 1.00 62.32 C ATOM 64 C GLU A 407 -15.493 1.481 -2.613 1.00 34.32 C ATOM 65 O GLU A 407 -16.465 2.101 -3.002 1.00 24.04 O ATOM 66 CB GLU A 407 -13.083 2.326 -2.901 1.00 20.04 C ATOM 67 CG GLU A 407 -12.006 3.261 -2.376 1.00 41.32 C ATOM 68 CD GLU A 407 -10.836 3.410 -3.313 1.00 11.40 C ATOM 69 OE1 GLU A 407 -9.803 2.730 -3.118 1.00 4.40 O ATOM 70 OE2 GLU A 407 -10.921 4.229 -4.241 1.00 42.31 O ATOM 0 H GLU A 407 -13.027 1.321 -0.592 1.00 40.22 H new ATOM 0 HA GLU A 407 -14.655 3.268 -1.835 1.00 62.32 H new ATOM 0 HB2 GLU A 407 -12.662 1.329 -3.027 1.00 20.04 H new ATOM 0 HB3 GLU A 407 -13.402 2.664 -3.887 1.00 20.04 H new ATOM 0 HG2 GLU A 407 -12.444 4.242 -2.194 1.00 41.32 H new ATOM 0 HG3 GLU A 407 -11.648 2.889 -1.416 1.00 41.32 H new ATOM 77 N PRO A 408 -15.459 0.119 -2.702 1.00 75.21 N ATOM 78 CA PRO A 408 -16.592 -0.656 -3.250 1.00 52.13 C ATOM 79 C PRO A 408 -17.857 -0.563 -2.363 1.00 75.02 C ATOM 80 O PRO A 408 -18.925 -1.058 -2.725 1.00 44.42 O ATOM 81 CB PRO A 408 -16.066 -2.099 -3.274 1.00 24.13 C ATOM 82 CG PRO A 408 -14.969 -2.112 -2.267 1.00 33.14 C ATOM 83 CD PRO A 408 -14.336 -0.765 -2.339 1.00 33.23 C ATOM 0 HA PRO A 408 -16.899 -0.282 -4.227 1.00 52.13 H new ATOM 0 HB2 PRO A 408 -16.850 -2.812 -3.017 1.00 24.13 H new ATOM 0 HB3 PRO A 408 -15.700 -2.372 -4.264 1.00 24.13 H new ATOM 0 HG2 PRO A 408 -15.358 -2.308 -1.268 1.00 33.14 H new ATOM 0 HG3 PRO A 408 -14.245 -2.897 -2.487 1.00 33.14 H new ATOM 0 HD2 PRO A 408 -13.890 -0.479 -1.386 1.00 33.23 H new ATOM 0 HD3 PRO A 408 -13.542 -0.733 -3.085 1.00 33.23 H new ATOM 91 N VAL A 409 -17.723 0.074 -1.217 1.00 71.12 N ATOM 92 CA VAL A 409 -18.815 0.232 -0.277 1.00 31.13 C ATOM 93 C VAL A 409 -19.647 1.481 -0.622 1.00 30.24 C ATOM 94 O VAL A 409 -20.804 1.590 -0.238 1.00 1.44 O ATOM 95 CB VAL A 409 -18.289 0.316 1.192 1.00 14.42 C ATOM 96 CG1 VAL A 409 -19.432 0.431 2.202 1.00 0.02 C ATOM 97 CG2 VAL A 409 -17.423 -0.891 1.518 1.00 22.23 C ATOM 0 H VAL A 409 -16.848 0.499 -0.910 1.00 71.12 H new ATOM 0 HA VAL A 409 -19.454 -0.647 -0.356 1.00 31.13 H new ATOM 0 HB VAL A 409 -17.686 1.221 1.269 1.00 14.42 H new ATOM 0 HG11 VAL A 409 -19.022 0.487 3.210 1.00 0.02 H new ATOM 0 HG12 VAL A 409 -20.011 1.331 1.995 1.00 0.02 H new ATOM 0 HG13 VAL A 409 -20.078 -0.443 2.121 1.00 0.02 H new ATOM 0 HG21 VAL A 409 -17.065 -0.816 2.545 1.00 22.23 H new ATOM 0 HG22 VAL A 409 -18.011 -1.802 1.404 1.00 22.23 H new ATOM 0 HG23 VAL A 409 -16.571 -0.922 0.839 1.00 22.23 H new ATOM 107 N VAL A 410 -19.062 2.413 -1.370 1.00 14.40 N ATOM 108 CA VAL A 410 -19.768 3.658 -1.705 1.00 14.31 C ATOM 109 C VAL A 410 -20.908 3.432 -2.713 1.00 72.40 C ATOM 110 O VAL A 410 -21.784 4.275 -2.853 1.00 11.04 O ATOM 111 CB VAL A 410 -18.829 4.798 -2.210 1.00 65.31 C ATOM 112 CG1 VAL A 410 -17.730 5.095 -1.200 1.00 44.15 C ATOM 113 CG2 VAL A 410 -18.251 4.500 -3.592 1.00 4.24 C ATOM 0 H VAL A 410 -18.119 2.338 -1.752 1.00 14.40 H new ATOM 0 HA VAL A 410 -20.197 3.990 -0.760 1.00 14.31 H new ATOM 0 HB VAL A 410 -19.441 5.694 -2.311 1.00 65.31 H new ATOM 0 HG11 VAL A 410 -17.092 5.893 -1.580 1.00 44.15 H new ATOM 0 HG12 VAL A 410 -18.178 5.407 -0.256 1.00 44.15 H new ATOM 0 HG13 VAL A 410 -17.132 4.198 -1.039 1.00 44.15 H new ATOM 0 HG21 VAL A 410 -17.604 5.321 -3.901 1.00 4.24 H new ATOM 0 HG22 VAL A 410 -17.672 3.577 -3.553 1.00 4.24 H new ATOM 0 HG23 VAL A 410 -19.064 4.388 -4.310 1.00 4.24 H new ATOM 123 N LEU A 411 -20.883 2.289 -3.403 1.00 64.52 N ATOM 124 CA LEU A 411 -21.894 1.945 -4.425 1.00 13.51 C ATOM 125 C LEU A 411 -23.358 2.054 -3.958 1.00 55.42 C ATOM 126 O LEU A 411 -24.150 2.725 -4.622 1.00 64.42 O ATOM 127 CB LEU A 411 -21.635 0.589 -5.101 1.00 30.31 C ATOM 128 CG LEU A 411 -20.497 0.529 -6.139 1.00 33.41 C ATOM 129 CD1 LEU A 411 -19.141 0.850 -5.534 1.00 34.40 C ATOM 130 CD2 LEU A 411 -20.478 -0.819 -6.807 1.00 65.23 C ATOM 0 H LEU A 411 -20.167 1.574 -3.275 1.00 64.52 H new ATOM 0 HA LEU A 411 -21.762 2.726 -5.174 1.00 13.51 H new ATOM 0 HB2 LEU A 411 -21.421 -0.142 -4.322 1.00 30.31 H new ATOM 0 HB3 LEU A 411 -22.556 0.273 -5.590 1.00 30.31 H new ATOM 0 HG LEU A 411 -20.696 1.298 -6.886 1.00 33.41 H new ATOM 0 HD11 LEU A 411 -18.375 0.794 -6.307 1.00 34.40 H new ATOM 0 HD12 LEU A 411 -19.159 1.856 -5.114 1.00 34.40 H new ATOM 0 HD13 LEU A 411 -18.915 0.131 -4.746 1.00 34.40 H new ATOM 0 HD21 LEU A 411 -19.671 -0.851 -7.539 1.00 65.23 H new ATOM 0 HD22 LEU A 411 -20.320 -1.594 -6.057 1.00 65.23 H new ATOM 0 HD23 LEU A 411 -21.430 -0.989 -7.310 1.00 65.23 H new ATOM 142 N PRO A 412 -23.769 1.400 -2.831 1.00 3.23 N ATOM 143 CA PRO A 412 -25.140 1.520 -2.344 1.00 42.02 C ATOM 144 C PRO A 412 -25.507 2.979 -2.020 1.00 22.34 C ATOM 145 O PRO A 412 -26.632 3.418 -2.270 1.00 4.42 O ATOM 146 CB PRO A 412 -25.165 0.676 -1.067 1.00 54.25 C ATOM 147 CG PRO A 412 -24.016 -0.252 -1.198 1.00 5.44 C ATOM 148 CD PRO A 412 -22.978 0.474 -1.996 1.00 13.21 C ATOM 0 HA PRO A 412 -25.860 1.189 -3.092 1.00 42.02 H new ATOM 0 HB2 PRO A 412 -25.069 1.301 -0.179 1.00 54.25 H new ATOM 0 HB3 PRO A 412 -26.104 0.131 -0.973 1.00 54.25 H new ATOM 0 HG2 PRO A 412 -23.628 -0.531 -0.218 1.00 5.44 H new ATOM 0 HG3 PRO A 412 -24.316 -1.174 -1.697 1.00 5.44 H new ATOM 0 HD2 PRO A 412 -22.280 1.010 -1.353 1.00 13.21 H new ATOM 0 HD3 PRO A 412 -22.388 -0.211 -2.605 1.00 13.21 H new ATOM 156 N LEU A 413 -24.536 3.723 -1.492 1.00 41.41 N ATOM 157 CA LEU A 413 -24.724 5.120 -1.120 1.00 42.52 C ATOM 158 C LEU A 413 -24.835 6.001 -2.352 1.00 43.10 C ATOM 159 O LEU A 413 -25.533 7.026 -2.340 1.00 14.52 O ATOM 160 CB LEU A 413 -23.589 5.619 -0.198 1.00 53.25 C ATOM 161 CG LEU A 413 -23.477 4.989 1.213 1.00 25.22 C ATOM 162 CD1 LEU A 413 -24.769 5.152 1.999 1.00 54.20 C ATOM 163 CD2 LEU A 413 -23.041 3.528 1.171 1.00 51.40 C ATOM 0 H LEU A 413 -23.596 3.371 -1.311 1.00 41.41 H new ATOM 0 HA LEU A 413 -25.659 5.185 -0.564 1.00 42.52 H new ATOM 0 HB2 LEU A 413 -22.642 5.457 -0.714 1.00 53.25 H new ATOM 0 HB3 LEU A 413 -23.705 6.696 -0.076 1.00 53.25 H new ATOM 0 HG LEU A 413 -22.692 5.537 1.734 1.00 25.22 H new ATOM 0 HD11 LEU A 413 -24.655 4.699 2.984 1.00 54.20 H new ATOM 0 HD12 LEU A 413 -24.995 6.212 2.111 1.00 54.20 H new ATOM 0 HD13 LEU A 413 -25.584 4.662 1.466 1.00 54.20 H new ATOM 0 HD21 LEU A 413 -22.979 3.137 2.187 1.00 51.40 H new ATOM 0 HD22 LEU A 413 -23.768 2.948 0.603 1.00 51.40 H new ATOM 0 HD23 LEU A 413 -22.064 3.453 0.693 1.00 51.40 H new ATOM 175 N LEU A 414 -24.148 5.590 -3.415 1.00 10.34 N ATOM 176 CA LEU A 414 -24.181 6.272 -4.699 1.00 13.44 C ATOM 177 C LEU A 414 -25.600 6.384 -5.200 1.00 51.23 C ATOM 178 O LEU A 414 -25.993 7.425 -5.710 1.00 71.32 O ATOM 179 CB LEU A 414 -23.314 5.521 -5.729 1.00 3.52 C ATOM 180 CG LEU A 414 -23.336 6.045 -7.176 1.00 60.21 C ATOM 181 CD1 LEU A 414 -22.808 7.464 -7.264 1.00 73.31 C ATOM 182 CD2 LEU A 414 -22.551 5.119 -8.089 1.00 15.21 C ATOM 0 H LEU A 414 -23.548 4.765 -3.405 1.00 10.34 H new ATOM 0 HA LEU A 414 -23.777 7.275 -4.566 1.00 13.44 H new ATOM 0 HB2 LEU A 414 -22.282 5.537 -5.379 1.00 3.52 H new ATOM 0 HB3 LEU A 414 -23.630 4.478 -5.742 1.00 3.52 H new ATOM 0 HG LEU A 414 -24.374 6.062 -7.508 1.00 60.21 H new ATOM 0 HD11 LEU A 414 -22.839 7.800 -8.300 1.00 73.31 H new ATOM 0 HD12 LEU A 414 -23.426 8.121 -6.651 1.00 73.31 H new ATOM 0 HD13 LEU A 414 -21.780 7.493 -6.904 1.00 73.31 H new ATOM 0 HD21 LEU A 414 -22.577 5.505 -9.108 1.00 15.21 H new ATOM 0 HD22 LEU A 414 -21.517 5.063 -7.749 1.00 15.21 H new ATOM 0 HD23 LEU A 414 -22.995 4.124 -8.066 1.00 15.21 H new ATOM 194 N TRP A 415 -26.386 5.322 -5.002 1.00 63.41 N ATOM 195 CA TRP A 415 -27.765 5.295 -5.469 1.00 52.40 C ATOM 196 C TRP A 415 -28.579 6.433 -4.866 1.00 43.32 C ATOM 197 O TRP A 415 -29.444 7.005 -5.521 1.00 10.32 O ATOM 198 CB TRP A 415 -28.449 3.938 -5.184 1.00 32.30 C ATOM 199 CG TRP A 415 -29.853 3.867 -5.739 1.00 61.22 C ATOM 200 CD1 TRP A 415 -30.220 3.412 -6.972 1.00 23.24 C ATOM 201 CD2 TRP A 415 -31.068 4.288 -5.093 1.00 44.52 C ATOM 202 NE1 TRP A 415 -31.578 3.526 -7.131 1.00 14.42 N ATOM 203 CE2 TRP A 415 -32.119 4.061 -5.995 1.00 23.21 C ATOM 204 CE3 TRP A 415 -31.362 4.837 -3.843 1.00 65.35 C ATOM 205 CZ2 TRP A 415 -33.436 4.363 -5.688 1.00 71.15 C ATOM 206 CZ3 TRP A 415 -32.671 5.137 -3.540 1.00 11.44 C ATOM 207 CH2 TRP A 415 -33.693 4.900 -4.458 1.00 1.44 C ATOM 0 H TRP A 415 -26.087 4.473 -4.522 1.00 63.41 H new ATOM 0 HA TRP A 415 -27.729 5.430 -6.550 1.00 52.40 H new ATOM 0 HB2 TRP A 415 -27.851 3.136 -5.616 1.00 32.30 H new ATOM 0 HB3 TRP A 415 -28.479 3.769 -4.108 1.00 32.30 H new ATOM 0 HD1 TRP A 415 -29.541 3.019 -7.714 1.00 23.24 H new ATOM 0 HE1 TRP A 415 -32.101 3.255 -7.964 1.00 14.42 H new ATOM 0 HE3 TRP A 415 -30.576 5.023 -3.126 1.00 65.35 H new ATOM 0 HZ2 TRP A 415 -34.231 4.180 -6.396 1.00 71.15 H new ATOM 0 HZ3 TRP A 415 -32.910 5.562 -2.576 1.00 11.44 H new ATOM 0 HH2 TRP A 415 -34.710 5.146 -4.191 1.00 1.44 H new ATOM 218 N PHE A 416 -28.276 6.799 -3.646 1.00 5.31 N ATOM 219 CA PHE A 416 -29.055 7.814 -2.975 1.00 65.32 C ATOM 220 C PHE A 416 -28.771 9.180 -3.538 1.00 71.32 C ATOM 221 O PHE A 416 -29.618 10.071 -3.505 1.00 63.02 O ATOM 222 CB PHE A 416 -28.930 7.760 -1.456 1.00 71.52 C ATOM 223 CG PHE A 416 -29.437 6.476 -0.858 1.00 13.32 C ATOM 224 CD1 PHE A 416 -28.584 5.411 -0.648 1.00 53.24 C ATOM 225 CD2 PHE A 416 -30.770 6.335 -0.512 1.00 71.53 C ATOM 226 CE1 PHE A 416 -29.043 4.228 -0.107 1.00 21.13 C ATOM 227 CE2 PHE A 416 -31.237 5.156 0.031 1.00 71.24 C ATOM 228 CZ PHE A 416 -30.373 4.100 0.233 1.00 34.50 C ATOM 0 H PHE A 416 -27.504 6.415 -3.100 1.00 5.31 H new ATOM 0 HA PHE A 416 -30.103 7.594 -3.179 1.00 65.32 H new ATOM 0 HB2 PHE A 416 -27.884 7.892 -1.180 1.00 71.52 H new ATOM 0 HB3 PHE A 416 -29.481 8.595 -1.024 1.00 71.52 H new ATOM 0 HD1 PHE A 416 -27.541 5.506 -0.911 1.00 53.24 H new ATOM 0 HD2 PHE A 416 -31.452 7.157 -0.669 1.00 71.53 H new ATOM 0 HE1 PHE A 416 -28.362 3.404 0.050 1.00 21.13 H new ATOM 0 HE2 PHE A 416 -32.279 5.060 0.298 1.00 71.24 H new ATOM 0 HZ PHE A 416 -30.737 3.176 0.656 1.00 34.50 H new ATOM 238 N GLU A 417 -27.589 9.321 -4.069 1.00 53.11 N ATOM 239 CA GLU A 417 -27.171 10.524 -4.719 1.00 61.31 C ATOM 240 C GLU A 417 -27.909 10.612 -6.041 1.00 1.12 C ATOM 241 O GLU A 417 -28.414 11.674 -6.416 1.00 24.42 O ATOM 242 CB GLU A 417 -25.640 10.475 -4.883 1.00 42.32 C ATOM 243 CG GLU A 417 -24.966 11.709 -5.489 1.00 62.20 C ATOM 244 CD GLU A 417 -24.931 11.756 -7.015 1.00 14.05 C ATOM 245 OE1 GLU A 417 -25.903 12.218 -7.649 1.00 3.25 O ATOM 246 OE2 GLU A 417 -23.890 11.378 -7.594 1.00 23.21 O ATOM 0 H GLU A 417 -26.879 8.589 -4.060 1.00 53.11 H new ATOM 0 HA GLU A 417 -27.407 11.419 -4.144 1.00 61.31 H new ATOM 0 HB2 GLU A 417 -25.200 10.296 -3.902 1.00 42.32 H new ATOM 0 HB3 GLU A 417 -25.393 9.615 -5.505 1.00 42.32 H new ATOM 0 HG2 GLU A 417 -25.483 12.598 -5.127 1.00 62.20 H new ATOM 0 HG3 GLU A 417 -23.943 11.762 -5.118 1.00 62.20 H new ATOM 253 N GLN A 418 -28.024 9.464 -6.705 1.00 22.44 N ATOM 254 CA GLN A 418 -28.720 9.352 -7.984 1.00 3.22 C ATOM 255 C GLN A 418 -30.181 9.692 -7.777 1.00 1.52 C ATOM 256 O GLN A 418 -30.782 10.408 -8.562 1.00 5.11 O ATOM 257 CB GLN A 418 -28.634 7.926 -8.517 1.00 20.14 C ATOM 258 CG GLN A 418 -27.256 7.335 -8.447 1.00 54.04 C ATOM 259 CD GLN A 418 -27.169 5.957 -9.073 1.00 72.34 C ATOM 260 OE1 GLN A 418 -27.373 4.943 -8.415 1.00 21.33 O ATOM 261 NE2 GLN A 418 -26.857 5.910 -10.329 1.00 31.45 N ATOM 0 H GLN A 418 -27.636 8.582 -6.370 1.00 22.44 H new ATOM 0 HA GLN A 418 -28.256 10.034 -8.697 1.00 3.22 H new ATOM 0 HB2 GLN A 418 -29.319 7.295 -7.951 1.00 20.14 H new ATOM 0 HB3 GLN A 418 -28.972 7.914 -9.553 1.00 20.14 H new ATOM 0 HG2 GLN A 418 -26.555 8.001 -8.950 1.00 54.04 H new ATOM 0 HG3 GLN A 418 -26.945 7.274 -7.404 1.00 54.04 H new ATOM 0 HE21 GLN A 418 -26.694 6.774 -10.847 1.00 31.45 H new ATOM 0 HE22 GLN A 418 -26.774 5.009 -10.801 1.00 31.45 H new ATOM 270 N SER A 419 -30.733 9.158 -6.703 1.00 5.34 N ATOM 271 CA SER A 419 -32.098 9.390 -6.318 1.00 44.11 C ATOM 272 C SER A 419 -32.289 10.852 -5.910 1.00 11.41 C ATOM 273 O SER A 419 -33.324 11.459 -6.192 1.00 25.42 O ATOM 274 CB SER A 419 -32.467 8.440 -5.165 1.00 64.55 C ATOM 275 OG SER A 419 -33.828 8.542 -4.811 1.00 44.21 O ATOM 0 H SER A 419 -30.229 8.540 -6.067 1.00 5.34 H new ATOM 0 HA SER A 419 -32.758 9.190 -7.162 1.00 44.11 H new ATOM 0 HB2 SER A 419 -32.244 7.413 -5.456 1.00 64.55 H new ATOM 0 HB3 SER A 419 -31.849 8.667 -4.297 1.00 64.55 H new ATOM 0 HG SER A 419 -34.022 7.922 -4.077 1.00 44.21 H new ATOM 281 N GLY A 420 -31.274 11.415 -5.275 1.00 11.12 N ATOM 282 CA GLY A 420 -31.336 12.777 -4.831 1.00 1.55 C ATOM 283 C GLY A 420 -32.310 12.931 -3.700 1.00 42.22 C ATOM 284 O GLY A 420 -33.030 13.931 -3.617 1.00 63.24 O ATOM 0 H GLY A 420 -30.398 10.938 -5.060 1.00 11.12 H new ATOM 0 HA2 GLY A 420 -30.347 13.104 -4.511 1.00 1.55 H new ATOM 0 HA3 GLY A 420 -31.631 13.420 -5.660 1.00 1.55 H new ATOM 288 N ALA A 421 -32.330 11.945 -2.813 1.00 42.11 N ATOM 289 CA ALA A 421 -33.270 11.947 -1.711 1.00 53.41 C ATOM 290 C ALA A 421 -32.877 13.001 -0.673 1.00 11.00 C ATOM 291 O ALA A 421 -33.704 13.788 -0.231 1.00 50.23 O ATOM 292 CB ALA A 421 -33.351 10.556 -1.112 1.00 62.35 C ATOM 0 H ALA A 421 -31.706 11.138 -2.839 1.00 42.11 H new ATOM 0 HA ALA A 421 -34.262 12.215 -2.075 1.00 53.41 H new ATOM 0 HB1 ALA A 421 -34.058 10.558 -0.283 1.00 62.35 H new ATOM 0 HB2 ALA A 421 -33.686 9.851 -1.873 1.00 62.35 H new ATOM 0 HB3 ALA A 421 -32.367 10.258 -0.749 1.00 62.35 H new ATOM 535 N MET A 437 -8.011 13.244 -13.326 1.00 64.11 N ATOM 536 CA MET A 437 -6.879 13.675 -12.556 1.00 1.32 C ATOM 537 C MET A 437 -5.787 12.600 -12.529 1.00 52.22 C ATOM 538 O MET A 437 -5.962 11.538 -11.921 1.00 72.23 O ATOM 539 CB MET A 437 -7.381 14.028 -11.170 1.00 72.30 C ATOM 540 CG MET A 437 -6.416 14.768 -10.291 1.00 72.21 C ATOM 541 SD MET A 437 -7.213 15.323 -8.769 1.00 60.14 S ATOM 542 CE MET A 437 -8.564 16.320 -9.447 1.00 33.21 C ATOM 0 HA MET A 437 -6.414 14.552 -13.007 1.00 1.32 H new ATOM 0 HB2 MET A 437 -8.283 14.631 -11.274 1.00 72.30 H new ATOM 0 HB3 MET A 437 -7.670 13.107 -10.664 1.00 72.30 H new ATOM 0 HG2 MET A 437 -5.572 14.122 -10.048 1.00 72.21 H new ATOM 0 HG3 MET A 437 -6.015 15.627 -10.829 1.00 72.21 H new ATOM 0 HE1 MET A 437 -8.809 17.122 -8.751 1.00 33.21 H new ATOM 0 HE2 MET A 437 -8.257 16.748 -10.401 1.00 33.21 H new ATOM 0 HE3 MET A 437 -9.441 15.690 -9.597 1.00 33.21 H new ATOM 552 N PRO A 438 -4.639 12.877 -13.198 1.00 31.20 N ATOM 553 CA PRO A 438 -3.520 11.922 -13.350 1.00 22.21 C ATOM 554 C PRO A 438 -3.051 11.273 -12.039 1.00 74.40 C ATOM 555 O PRO A 438 -2.789 10.067 -12.004 1.00 23.54 O ATOM 556 CB PRO A 438 -2.404 12.785 -13.941 1.00 41.22 C ATOM 557 CG PRO A 438 -3.117 13.846 -14.688 1.00 42.40 C ATOM 558 CD PRO A 438 -4.345 14.160 -13.884 1.00 32.15 C ATOM 0 HA PRO A 438 -3.820 11.073 -13.964 1.00 22.21 H new ATOM 0 HB2 PRO A 438 -1.771 13.206 -13.160 1.00 41.22 H new ATOM 0 HB3 PRO A 438 -1.757 12.203 -14.597 1.00 41.22 H new ATOM 0 HG2 PRO A 438 -2.490 14.730 -14.805 1.00 42.40 H new ATOM 0 HG3 PRO A 438 -3.382 13.508 -15.690 1.00 42.40 H new ATOM 0 HD2 PRO A 438 -4.165 14.965 -13.172 1.00 32.15 H new ATOM 0 HD3 PRO A 438 -5.172 14.476 -14.519 1.00 32.15 H new ATOM 566 N GLN A 439 -2.962 12.054 -10.970 1.00 24.01 N ATOM 567 CA GLN A 439 -2.498 11.534 -9.688 1.00 50.23 C ATOM 568 C GLN A 439 -3.469 10.503 -9.144 1.00 23.42 C ATOM 569 O GLN A 439 -3.063 9.431 -8.670 1.00 5.31 O ATOM 570 CB GLN A 439 -2.285 12.659 -8.670 1.00 12.01 C ATOM 571 CG GLN A 439 -1.777 12.179 -7.318 1.00 41.51 C ATOM 572 CD GLN A 439 -1.543 13.310 -6.348 1.00 22.51 C ATOM 573 OE1 GLN A 439 -0.448 13.878 -6.294 1.00 73.01 O ATOM 574 NE2 GLN A 439 -2.542 13.644 -5.575 1.00 52.14 N ATOM 0 H GLN A 439 -3.203 13.045 -10.964 1.00 24.01 H new ATOM 0 HA GLN A 439 -1.536 11.051 -9.858 1.00 50.23 H new ATOM 0 HB2 GLN A 439 -1.575 13.377 -9.080 1.00 12.01 H new ATOM 0 HB3 GLN A 439 -3.227 13.189 -8.526 1.00 12.01 H new ATOM 0 HG2 GLN A 439 -2.498 11.482 -6.890 1.00 41.51 H new ATOM 0 HG3 GLN A 439 -0.847 11.628 -7.459 1.00 41.51 H new ATOM 0 HE21 GLN A 439 -3.432 13.151 -5.650 1.00 52.14 H new ATOM 0 HE22 GLN A 439 -2.432 14.398 -4.897 1.00 52.14 H new ATOM 583 N VAL A 440 -4.751 10.805 -9.262 1.00 3.20 N ATOM 584 CA VAL A 440 -5.791 9.923 -8.769 1.00 1.10 C ATOM 585 C VAL A 440 -5.822 8.637 -9.582 1.00 20.23 C ATOM 586 O VAL A 440 -6.108 7.565 -9.049 1.00 35.11 O ATOM 587 CB VAL A 440 -7.182 10.599 -8.792 1.00 24.31 C ATOM 588 CG1 VAL A 440 -8.244 9.647 -8.275 1.00 35.54 C ATOM 589 CG2 VAL A 440 -7.170 11.861 -7.953 1.00 0.23 C ATOM 0 H VAL A 440 -5.096 11.660 -9.698 1.00 3.20 H new ATOM 0 HA VAL A 440 -5.555 9.689 -7.731 1.00 1.10 H new ATOM 0 HB VAL A 440 -7.417 10.862 -9.823 1.00 24.31 H new ATOM 0 HG11 VAL A 440 -9.216 10.139 -8.298 1.00 35.54 H new ATOM 0 HG12 VAL A 440 -8.273 8.757 -8.904 1.00 35.54 H new ATOM 0 HG13 VAL A 440 -8.007 9.359 -7.251 1.00 35.54 H new ATOM 0 HG21 VAL A 440 -8.156 12.325 -7.979 1.00 0.23 H new ATOM 0 HG22 VAL A 440 -6.914 11.611 -6.923 1.00 0.23 H new ATOM 0 HG23 VAL A 440 -6.431 12.556 -8.352 1.00 0.23 H new ATOM 599 N LEU A 441 -5.482 8.745 -10.864 1.00 41.02 N ATOM 600 CA LEU A 441 -5.437 7.592 -11.760 1.00 54.44 C ATOM 601 C LEU A 441 -4.537 6.490 -11.227 1.00 12.21 C ATOM 602 O LEU A 441 -4.803 5.311 -11.451 1.00 34.22 O ATOM 603 CB LEU A 441 -5.044 7.984 -13.184 1.00 13.33 C ATOM 604 CG LEU A 441 -6.024 8.895 -13.921 1.00 41.24 C ATOM 605 CD1 LEU A 441 -5.526 9.193 -15.326 1.00 51.22 C ATOM 606 CD2 LEU A 441 -7.405 8.256 -13.965 1.00 14.22 C ATOM 0 H LEU A 441 -5.231 9.628 -11.309 1.00 41.02 H new ATOM 0 HA LEU A 441 -6.451 7.195 -11.800 1.00 54.44 H new ATOM 0 HB2 LEU A 441 -4.074 8.480 -13.149 1.00 13.33 H new ATOM 0 HB3 LEU A 441 -4.916 7.073 -13.768 1.00 13.33 H new ATOM 0 HG LEU A 441 -6.095 9.838 -13.380 1.00 41.24 H new ATOM 0 HD11 LEU A 441 -6.238 9.843 -15.834 1.00 51.22 H new ATOM 0 HD12 LEU A 441 -4.557 9.689 -15.271 1.00 51.22 H new ATOM 0 HD13 LEU A 441 -5.425 8.261 -15.882 1.00 51.22 H new ATOM 0 HD21 LEU A 441 -8.094 8.915 -14.493 1.00 14.22 H new ATOM 0 HD22 LEU A 441 -7.347 7.300 -14.485 1.00 14.22 H new ATOM 0 HD23 LEU A 441 -7.764 8.095 -12.948 1.00 14.22 H new ATOM 618 N HIS A 442 -3.493 6.872 -10.498 1.00 0.33 N ATOM 619 CA HIS A 442 -2.610 5.888 -9.879 1.00 13.11 C ATOM 620 C HIS A 442 -3.385 5.026 -8.915 1.00 51.35 C ATOM 621 O HIS A 442 -3.285 3.800 -8.947 1.00 74.20 O ATOM 622 CB HIS A 442 -1.417 6.537 -9.167 1.00 1.33 C ATOM 623 CG HIS A 442 -0.434 7.185 -10.084 1.00 62.00 C ATOM 624 ND1 HIS A 442 0.819 6.681 -10.310 1.00 40.50 N ATOM 625 CD2 HIS A 442 -0.517 8.307 -10.820 1.00 0.11 C ATOM 626 CE1 HIS A 442 1.457 7.461 -11.143 1.00 51.15 C ATOM 627 NE2 HIS A 442 0.671 8.453 -11.467 1.00 11.41 N ATOM 0 H HIS A 442 -3.239 7.844 -10.322 1.00 0.33 H new ATOM 0 HA HIS A 442 -2.208 5.268 -10.681 1.00 13.11 H new ATOM 0 HB2 HIS A 442 -1.789 7.284 -8.466 1.00 1.33 H new ATOM 0 HB3 HIS A 442 -0.902 5.777 -8.579 1.00 1.33 H new ATOM 0 HD2 HIS A 442 -1.368 8.969 -10.885 1.00 0.11 H new ATOM 0 HE1 HIS A 442 2.464 7.311 -11.503 1.00 51.15 H new ATOM 0 HE2 HIS A 442 0.910 9.214 -12.103 1.00 11.41 H new ATOM 636 N TYR A 443 -4.200 5.668 -8.110 1.00 32.45 N ATOM 637 CA TYR A 443 -5.008 4.995 -7.107 1.00 53.40 C ATOM 638 C TYR A 443 -6.176 4.283 -7.753 1.00 72.15 C ATOM 639 O TYR A 443 -6.636 3.248 -7.267 1.00 21.22 O ATOM 640 CB TYR A 443 -5.493 5.999 -6.066 1.00 52.20 C ATOM 641 CG TYR A 443 -4.364 6.695 -5.345 1.00 40.42 C ATOM 642 CD1 TYR A 443 -3.954 7.968 -5.716 1.00 45.52 C ATOM 643 CD2 TYR A 443 -3.694 6.069 -4.304 1.00 24.44 C ATOM 644 CE1 TYR A 443 -2.910 8.599 -5.071 1.00 24.23 C ATOM 645 CE2 TYR A 443 -2.653 6.694 -3.652 1.00 40.13 C ATOM 646 CZ TYR A 443 -2.264 7.959 -4.041 1.00 21.11 C ATOM 647 OH TYR A 443 -1.215 8.579 -3.399 1.00 12.42 O ATOM 0 H TYR A 443 -4.325 6.680 -8.129 1.00 32.45 H new ATOM 0 HA TYR A 443 -4.394 4.246 -6.607 1.00 53.40 H new ATOM 0 HB2 TYR A 443 -6.120 6.745 -6.554 1.00 52.20 H new ATOM 0 HB3 TYR A 443 -6.119 5.484 -5.337 1.00 52.20 H new ATOM 0 HD1 TYR A 443 -4.461 8.474 -6.524 1.00 45.52 H new ATOM 0 HD2 TYR A 443 -3.993 5.077 -4.000 1.00 24.44 H new ATOM 0 HE1 TYR A 443 -2.603 9.589 -5.374 1.00 24.23 H new ATOM 0 HE2 TYR A 443 -2.144 6.196 -2.840 1.00 40.13 H new ATOM 0 HH TYR A 443 -0.870 7.992 -2.694 1.00 12.42 H new ATOM 657 N ALA A 444 -6.630 4.831 -8.861 1.00 3.24 N ATOM 658 CA ALA A 444 -7.710 4.248 -9.638 1.00 64.13 C ATOM 659 C ALA A 444 -7.273 2.912 -10.204 1.00 41.42 C ATOM 660 O ALA A 444 -8.065 1.993 -10.330 1.00 25.34 O ATOM 661 CB ALA A 444 -8.150 5.187 -10.751 1.00 53.15 C ATOM 0 H ALA A 444 -6.260 5.697 -9.252 1.00 3.24 H new ATOM 0 HA ALA A 444 -8.565 4.090 -8.981 1.00 64.13 H new ATOM 0 HB1 ALA A 444 -8.959 4.726 -11.317 1.00 53.15 H new ATOM 0 HB2 ALA A 444 -8.498 6.125 -10.319 1.00 53.15 H new ATOM 0 HB3 ALA A 444 -7.308 5.383 -11.415 1.00 53.15 H new ATOM 667 N GLN A 445 -6.001 2.813 -10.542 1.00 31.45 N ATOM 668 CA GLN A 445 -5.458 1.560 -11.008 1.00 62.15 C ATOM 669 C GLN A 445 -5.339 0.577 -9.857 1.00 73.42 C ATOM 670 O GLN A 445 -5.640 -0.593 -10.007 1.00 13.25 O ATOM 671 CB GLN A 445 -4.104 1.745 -11.698 1.00 42.11 C ATOM 672 CG GLN A 445 -4.149 2.587 -12.967 1.00 23.24 C ATOM 673 CD GLN A 445 -5.081 2.017 -14.021 1.00 4.33 C ATOM 674 OE1 GLN A 445 -4.679 1.206 -14.849 1.00 2.43 O ATOM 675 NE2 GLN A 445 -6.321 2.449 -14.013 1.00 22.25 N ATOM 0 H GLN A 445 -5.332 3.582 -10.502 1.00 31.45 H new ATOM 0 HA GLN A 445 -6.148 1.158 -11.750 1.00 62.15 H new ATOM 0 HB2 GLN A 445 -3.413 2.209 -10.994 1.00 42.11 H new ATOM 0 HB3 GLN A 445 -3.699 0.763 -11.943 1.00 42.11 H new ATOM 0 HG2 GLN A 445 -4.469 3.598 -12.715 1.00 23.24 H new ATOM 0 HG3 GLN A 445 -3.144 2.664 -13.382 1.00 23.24 H new ATOM 0 HE21 GLN A 445 -6.621 3.124 -13.310 1.00 22.25 H new ATOM 0 HE22 GLN A 445 -6.984 2.110 -14.710 1.00 22.25 H new ATOM 684 N TYR A 446 -4.968 1.072 -8.687 1.00 13.43 N ATOM 685 CA TYR A 446 -4.789 0.214 -7.530 1.00 74.52 C ATOM 686 C TYR A 446 -6.099 -0.405 -7.093 1.00 12.23 C ATOM 687 O TYR A 446 -6.156 -1.601 -6.754 1.00 22.41 O ATOM 688 CB TYR A 446 -4.115 0.952 -6.370 1.00 60.34 C ATOM 689 CG TYR A 446 -2.641 1.246 -6.580 1.00 73.41 C ATOM 690 CD1 TYR A 446 -1.743 0.218 -6.843 1.00 11.55 C ATOM 691 CD2 TYR A 446 -2.144 2.534 -6.499 1.00 61.13 C ATOM 692 CE1 TYR A 446 -0.399 0.474 -7.021 1.00 14.34 C ATOM 693 CE2 TYR A 446 -0.807 2.798 -6.678 1.00 52.14 C ATOM 694 CZ TYR A 446 0.061 1.767 -6.939 1.00 3.04 C ATOM 695 OH TYR A 446 1.400 2.035 -7.120 1.00 72.25 O ATOM 0 H TYR A 446 -4.786 2.061 -8.515 1.00 13.43 H new ATOM 0 HA TYR A 446 -4.122 -0.593 -7.833 1.00 74.52 H new ATOM 0 HB2 TYR A 446 -4.639 1.893 -6.201 1.00 60.34 H new ATOM 0 HB3 TYR A 446 -4.228 0.357 -5.464 1.00 60.34 H new ATOM 0 HD1 TYR A 446 -2.103 -0.798 -6.909 1.00 11.55 H new ATOM 0 HD2 TYR A 446 -2.821 3.350 -6.291 1.00 61.13 H new ATOM 0 HE1 TYR A 446 0.287 -0.335 -7.223 1.00 14.34 H new ATOM 0 HE2 TYR A 446 -0.441 3.812 -6.614 1.00 52.14 H new ATOM 0 HH TYR A 446 1.556 2.998 -7.030 1.00 72.25 H new ATOM 705 N VAL A 447 -7.150 0.381 -7.121 1.00 63.30 N ATOM 706 CA VAL A 447 -8.451 -0.112 -6.750 1.00 15.10 C ATOM 707 C VAL A 447 -8.998 -1.044 -7.847 1.00 33.40 C ATOM 708 O VAL A 447 -9.659 -2.029 -7.551 1.00 54.33 O ATOM 709 CB VAL A 447 -9.448 1.046 -6.423 1.00 72.01 C ATOM 710 CG1 VAL A 447 -9.769 1.900 -7.638 1.00 22.12 C ATOM 711 CG2 VAL A 447 -10.716 0.528 -5.752 1.00 31.42 C ATOM 0 H VAL A 447 -7.127 1.363 -7.397 1.00 63.30 H new ATOM 0 HA VAL A 447 -8.343 -0.689 -5.832 1.00 15.10 H new ATOM 0 HB VAL A 447 -8.941 1.696 -5.710 1.00 72.01 H new ATOM 0 HG11 VAL A 447 -10.466 2.689 -7.354 1.00 22.12 H new ATOM 0 HG12 VAL A 447 -8.852 2.347 -8.022 1.00 22.12 H new ATOM 0 HG13 VAL A 447 -10.220 1.278 -8.411 1.00 22.12 H new ATOM 0 HG21 VAL A 447 -11.383 1.364 -5.541 1.00 31.42 H new ATOM 0 HG22 VAL A 447 -11.216 -0.177 -6.415 1.00 31.42 H new ATOM 0 HG23 VAL A 447 -10.456 0.027 -4.820 1.00 31.42 H new ATOM 721 N LEU A 448 -8.661 -0.745 -9.107 1.00 63.33 N ATOM 722 CA LEU A 448 -9.063 -1.549 -10.234 1.00 34.24 C ATOM 723 C LEU A 448 -8.486 -2.961 -10.125 1.00 63.44 C ATOM 724 O LEU A 448 -9.209 -3.952 -10.270 1.00 52.44 O ATOM 725 CB LEU A 448 -8.605 -0.881 -11.529 1.00 11.40 C ATOM 726 CG LEU A 448 -8.890 -1.643 -12.809 1.00 62.50 C ATOM 727 CD1 LEU A 448 -10.389 -1.837 -13.018 1.00 55.33 C ATOM 728 CD2 LEU A 448 -8.247 -0.964 -14.006 1.00 34.03 C ATOM 0 H LEU A 448 -8.099 0.068 -9.359 1.00 63.33 H new ATOM 0 HA LEU A 448 -10.150 -1.631 -10.240 1.00 34.24 H new ATOM 0 HB2 LEU A 448 -9.082 0.097 -11.598 1.00 11.40 H new ATOM 0 HB3 LEU A 448 -7.531 -0.708 -11.465 1.00 11.40 H new ATOM 0 HG LEU A 448 -8.443 -2.632 -12.711 1.00 62.50 H new ATOM 0 HD11 LEU A 448 -10.559 -2.386 -13.944 1.00 55.33 H new ATOM 0 HD12 LEU A 448 -10.803 -2.399 -12.181 1.00 55.33 H new ATOM 0 HD13 LEU A 448 -10.877 -0.864 -13.079 1.00 55.33 H new ATOM 0 HD21 LEU A 448 -8.468 -1.533 -14.909 1.00 34.03 H new ATOM 0 HD22 LEU A 448 -8.643 0.046 -14.107 1.00 34.03 H new ATOM 0 HD23 LEU A 448 -7.168 -0.918 -13.862 1.00 34.03 H new ATOM 740 N LEU A 449 -7.190 -3.052 -9.863 1.00 2.23 N ATOM 741 CA LEU A 449 -6.532 -4.349 -9.690 1.00 24.32 C ATOM 742 C LEU A 449 -7.030 -5.069 -8.443 1.00 63.45 C ATOM 743 O LEU A 449 -7.158 -6.295 -8.430 1.00 51.33 O ATOM 744 CB LEU A 449 -4.994 -4.231 -9.670 1.00 23.21 C ATOM 745 CG LEU A 449 -4.256 -4.034 -11.019 1.00 13.33 C ATOM 746 CD1 LEU A 449 -4.684 -2.784 -11.761 1.00 4.34 C ATOM 747 CD2 LEU A 449 -2.766 -4.015 -10.788 1.00 13.41 C ATOM 0 H LEU A 449 -6.570 -2.248 -9.765 1.00 2.23 H new ATOM 0 HA LEU A 449 -6.802 -4.947 -10.561 1.00 24.32 H new ATOM 0 HB2 LEU A 449 -4.733 -3.394 -9.022 1.00 23.21 H new ATOM 0 HB3 LEU A 449 -4.597 -5.132 -9.202 1.00 23.21 H new ATOM 0 HG LEU A 449 -4.529 -4.878 -11.653 1.00 13.33 H new ATOM 0 HD11 LEU A 449 -4.129 -2.708 -12.696 1.00 4.34 H new ATOM 0 HD12 LEU A 449 -5.751 -2.836 -11.976 1.00 4.34 H new ATOM 0 HD13 LEU A 449 -4.480 -1.908 -11.145 1.00 4.34 H new ATOM 0 HD21 LEU A 449 -2.252 -3.876 -11.739 1.00 13.41 H new ATOM 0 HD22 LEU A 449 -2.512 -3.195 -10.116 1.00 13.41 H new ATOM 0 HD23 LEU A 449 -2.455 -4.960 -10.342 1.00 13.41 H new ATOM 759 N GLY A 450 -7.322 -4.305 -7.405 1.00 24.04 N ATOM 760 CA GLY A 450 -7.839 -4.883 -6.181 1.00 4.02 C ATOM 761 C GLY A 450 -9.213 -5.481 -6.386 1.00 74.12 C ATOM 762 O GLY A 450 -9.463 -6.634 -6.025 1.00 62.21 O ATOM 0 H GLY A 450 -7.211 -3.291 -7.386 1.00 24.04 H new ATOM 0 HA2 GLY A 450 -7.155 -5.654 -5.825 1.00 4.02 H new ATOM 0 HA3 GLY A 450 -7.887 -4.117 -5.407 1.00 4.02 H new ATOM 766 N LEU A 451 -10.086 -4.700 -6.994 1.00 10.22 N ATOM 767 CA LEU A 451 -11.441 -5.115 -7.283 1.00 0.31 C ATOM 768 C LEU A 451 -11.438 -6.313 -8.224 1.00 24.03 C ATOM 769 O LEU A 451 -12.139 -7.284 -7.997 1.00 42.14 O ATOM 770 CB LEU A 451 -12.214 -3.946 -7.913 1.00 10.13 C ATOM 771 CG LEU A 451 -13.685 -4.191 -8.252 1.00 72.23 C ATOM 772 CD1 LEU A 451 -14.490 -4.490 -6.999 1.00 34.23 C ATOM 773 CD2 LEU A 451 -14.262 -2.996 -8.987 1.00 45.51 C ATOM 0 H LEU A 451 -9.870 -3.752 -7.303 1.00 10.22 H new ATOM 0 HA LEU A 451 -11.930 -5.408 -6.354 1.00 0.31 H new ATOM 0 HB2 LEU A 451 -12.160 -3.097 -7.231 1.00 10.13 H new ATOM 0 HB3 LEU A 451 -11.699 -3.653 -8.828 1.00 10.13 H new ATOM 0 HG LEU A 451 -13.745 -5.062 -8.904 1.00 72.23 H new ATOM 0 HD11 LEU A 451 -15.532 -4.660 -7.268 1.00 34.23 H new ATOM 0 HD12 LEU A 451 -14.090 -5.380 -6.514 1.00 34.23 H new ATOM 0 HD13 LEU A 451 -14.426 -3.644 -6.315 1.00 34.23 H new ATOM 0 HD21 LEU A 451 -15.310 -3.184 -9.222 1.00 45.51 H new ATOM 0 HD22 LEU A 451 -14.185 -2.110 -8.357 1.00 45.51 H new ATOM 0 HD23 LEU A 451 -13.706 -2.834 -9.911 1.00 45.51 H new ATOM 785 N GLY A 452 -10.609 -6.241 -9.256 1.00 72.31 N ATOM 786 CA GLY A 452 -10.545 -7.307 -10.245 1.00 3.42 C ATOM 787 C GLY A 452 -10.001 -8.600 -9.675 1.00 31.24 C ATOM 788 O GLY A 452 -10.511 -9.689 -9.977 1.00 2.13 O ATOM 0 H GLY A 452 -9.975 -5.461 -9.429 1.00 72.31 H new ATOM 0 HA2 GLY A 452 -11.542 -7.483 -10.648 1.00 3.42 H new ATOM 0 HA3 GLY A 452 -9.917 -6.988 -11.077 1.00 3.42 H new ATOM 792 N GLY A 453 -8.976 -8.482 -8.851 1.00 65.41 N ATOM 793 CA GLY A 453 -8.370 -9.638 -8.229 1.00 35.24 C ATOM 794 C GLY A 453 -9.297 -10.309 -7.238 1.00 74.33 C ATOM 795 O GLY A 453 -9.217 -11.525 -7.025 1.00 25.41 O ATOM 0 H GLY A 453 -8.546 -7.592 -8.598 1.00 65.41 H new ATOM 0 HA2 GLY A 453 -8.085 -10.355 -8.999 1.00 35.24 H new ATOM 0 HA3 GLY A 453 -7.455 -9.336 -7.720 1.00 35.24 H new ATOM 799 N LEU A 454 -10.178 -9.511 -6.635 1.00 12.40 N ATOM 800 CA LEU A 454 -11.148 -9.980 -5.645 1.00 15.43 C ATOM 801 C LEU A 454 -12.027 -11.108 -6.209 1.00 51.42 C ATOM 802 O LEU A 454 -12.335 -12.078 -5.505 1.00 60.43 O ATOM 803 CB LEU A 454 -12.023 -8.809 -5.174 1.00 33.41 C ATOM 804 CG LEU A 454 -13.068 -9.122 -4.096 1.00 74.32 C ATOM 805 CD1 LEU A 454 -12.398 -9.600 -2.814 1.00 73.32 C ATOM 806 CD2 LEU A 454 -13.936 -7.897 -3.828 1.00 31.40 C ATOM 0 H LEU A 454 -10.239 -8.510 -6.822 1.00 12.40 H new ATOM 0 HA LEU A 454 -10.596 -10.383 -4.796 1.00 15.43 H new ATOM 0 HB2 LEU A 454 -11.367 -8.025 -4.795 1.00 33.41 H new ATOM 0 HB3 LEU A 454 -12.541 -8.400 -6.042 1.00 33.41 H new ATOM 0 HG LEU A 454 -13.708 -9.926 -4.460 1.00 74.32 H new ATOM 0 HD11 LEU A 454 -13.159 -9.816 -2.064 1.00 73.32 H new ATOM 0 HD12 LEU A 454 -11.824 -10.504 -3.019 1.00 73.32 H new ATOM 0 HD13 LEU A 454 -11.731 -8.823 -2.441 1.00 73.32 H new ATOM 0 HD21 LEU A 454 -14.673 -8.134 -3.061 1.00 31.40 H new ATOM 0 HD22 LEU A 454 -13.308 -7.074 -3.486 1.00 31.40 H new ATOM 0 HD23 LEU A 454 -14.448 -7.606 -4.745 1.00 31.40 H new ATOM 818 N LEU A 455 -12.385 -10.996 -7.488 1.00 54.44 N ATOM 819 CA LEU A 455 -13.219 -12.006 -8.168 1.00 13.43 C ATOM 820 C LEU A 455 -12.577 -13.387 -8.167 1.00 10.13 C ATOM 821 O LEU A 455 -13.277 -14.398 -8.185 1.00 34.21 O ATOM 822 CB LEU A 455 -13.563 -11.613 -9.626 1.00 42.22 C ATOM 823 CG LEU A 455 -14.615 -10.509 -9.866 1.00 4.41 C ATOM 824 CD1 LEU A 455 -14.199 -9.174 -9.290 1.00 3.40 C ATOM 825 CD2 LEU A 455 -14.899 -10.381 -11.350 1.00 21.44 C ATOM 0 H LEU A 455 -12.112 -10.214 -8.083 1.00 54.44 H new ATOM 0 HA LEU A 455 -14.142 -12.044 -7.589 1.00 13.43 H new ATOM 0 HB2 LEU A 455 -12.638 -11.300 -10.111 1.00 42.22 H new ATOM 0 HB3 LEU A 455 -13.904 -12.512 -10.139 1.00 42.22 H new ATOM 0 HG LEU A 455 -15.524 -10.807 -9.343 1.00 4.41 H new ATOM 0 HD11 LEU A 455 -14.975 -8.435 -9.488 1.00 3.40 H new ATOM 0 HD12 LEU A 455 -14.056 -9.271 -8.214 1.00 3.40 H new ATOM 0 HD13 LEU A 455 -13.266 -8.853 -9.753 1.00 3.40 H new ATOM 0 HD21 LEU A 455 -15.642 -9.600 -11.512 1.00 21.44 H new ATOM 0 HD22 LEU A 455 -13.980 -10.122 -11.875 1.00 21.44 H new ATOM 0 HD23 LEU A 455 -15.280 -11.329 -11.731 1.00 21.44 H new ATOM 837 N LEU A 456 -11.259 -13.429 -8.136 1.00 14.30 N ATOM 838 CA LEU A 456 -10.529 -14.687 -8.212 1.00 41.43 C ATOM 839 C LEU A 456 -10.686 -15.522 -6.951 1.00 13.31 C ATOM 840 O LEU A 456 -10.598 -16.736 -7.004 1.00 54.23 O ATOM 841 CB LEU A 456 -9.047 -14.441 -8.500 1.00 11.23 C ATOM 842 CG LEU A 456 -8.724 -13.720 -9.814 1.00 2.55 C ATOM 843 CD1 LEU A 456 -7.227 -13.514 -9.946 1.00 23.31 C ATOM 844 CD2 LEU A 456 -9.259 -14.506 -11.008 1.00 51.21 C ATOM 0 H LEU A 456 -10.666 -12.603 -8.058 1.00 14.30 H new ATOM 0 HA LEU A 456 -10.963 -15.253 -9.037 1.00 41.43 H new ATOM 0 HB2 LEU A 456 -8.630 -13.859 -7.678 1.00 11.23 H new ATOM 0 HB3 LEU A 456 -8.534 -15.403 -8.502 1.00 11.23 H new ATOM 0 HG LEU A 456 -9.212 -12.746 -9.800 1.00 2.55 H new ATOM 0 HD11 LEU A 456 -7.012 -13.001 -10.883 1.00 23.31 H new ATOM 0 HD12 LEU A 456 -6.868 -12.912 -9.112 1.00 23.31 H new ATOM 0 HD13 LEU A 456 -6.725 -14.481 -9.938 1.00 23.31 H new ATOM 0 HD21 LEU A 456 -9.019 -13.976 -11.930 1.00 51.21 H new ATOM 0 HD22 LEU A 456 -8.801 -15.495 -11.028 1.00 51.21 H new ATOM 0 HD23 LEU A 456 -10.341 -14.609 -10.920 1.00 51.21 H new ATOM 856 N LEU A 457 -10.952 -14.874 -5.827 1.00 22.24 N ATOM 857 CA LEU A 457 -11.072 -15.584 -4.558 1.00 42.30 C ATOM 858 C LEU A 457 -12.297 -16.481 -4.519 1.00 23.41 C ATOM 859 O LEU A 457 -12.235 -17.583 -4.001 1.00 21.02 O ATOM 860 CB LEU A 457 -11.078 -14.632 -3.332 1.00 4.33 C ATOM 861 CG LEU A 457 -9.764 -13.896 -2.972 1.00 41.32 C ATOM 862 CD1 LEU A 457 -9.320 -12.942 -4.059 1.00 21.35 C ATOM 863 CD2 LEU A 457 -9.918 -13.161 -1.653 1.00 72.11 C ATOM 0 H LEU A 457 -11.088 -13.865 -5.765 1.00 22.24 H new ATOM 0 HA LEU A 457 -10.180 -16.208 -4.492 1.00 42.30 H new ATOM 0 HB2 LEU A 457 -11.847 -13.878 -3.499 1.00 4.33 H new ATOM 0 HB3 LEU A 457 -11.384 -15.212 -2.461 1.00 4.33 H new ATOM 0 HG LEU A 457 -8.986 -14.654 -2.875 1.00 41.32 H new ATOM 0 HD11 LEU A 457 -8.394 -12.452 -3.757 1.00 21.35 H new ATOM 0 HD12 LEU A 457 -9.153 -13.496 -4.983 1.00 21.35 H new ATOM 0 HD13 LEU A 457 -10.092 -12.190 -4.221 1.00 21.35 H new ATOM 0 HD21 LEU A 457 -8.987 -12.648 -1.412 1.00 72.11 H new ATOM 0 HD22 LEU A 457 -10.724 -12.432 -1.735 1.00 72.11 H new ATOM 0 HD23 LEU A 457 -10.154 -13.875 -0.864 1.00 72.11 H new ATOM 875 N VAL A 458 -13.392 -16.021 -5.109 1.00 11.32 N ATOM 876 CA VAL A 458 -14.665 -16.749 -5.060 1.00 61.34 C ATOM 877 C VAL A 458 -14.562 -18.222 -5.582 1.00 63.54 C ATOM 878 O VAL A 458 -14.923 -19.156 -4.847 1.00 4.30 O ATOM 879 CB VAL A 458 -15.827 -15.973 -5.752 1.00 24.45 C ATOM 880 CG1 VAL A 458 -17.136 -16.737 -5.635 1.00 44.42 C ATOM 881 CG2 VAL A 458 -15.970 -14.583 -5.144 1.00 45.34 C ATOM 0 H VAL A 458 -13.430 -15.145 -5.630 1.00 11.32 H new ATOM 0 HA VAL A 458 -14.911 -16.819 -4.000 1.00 61.34 H new ATOM 0 HB VAL A 458 -15.586 -15.872 -6.810 1.00 24.45 H new ATOM 0 HG11 VAL A 458 -17.931 -16.175 -6.125 1.00 44.42 H new ATOM 0 HG12 VAL A 458 -17.033 -17.711 -6.113 1.00 44.42 H new ATOM 0 HG13 VAL A 458 -17.385 -16.874 -4.583 1.00 44.42 H new ATOM 0 HG21 VAL A 458 -16.785 -14.052 -5.637 1.00 45.34 H new ATOM 0 HG22 VAL A 458 -16.186 -14.672 -4.079 1.00 45.34 H new ATOM 0 HG23 VAL A 458 -15.041 -14.029 -5.281 1.00 45.34 H new ATOM 891 N PRO A 459 -14.061 -18.471 -6.834 1.00 21.41 N ATOM 892 CA PRO A 459 -13.923 -19.836 -7.353 1.00 64.52 C ATOM 893 C PRO A 459 -12.921 -20.646 -6.537 1.00 24.51 C ATOM 894 O PRO A 459 -13.118 -21.838 -6.297 1.00 5.00 O ATOM 895 CB PRO A 459 -13.406 -19.638 -8.785 1.00 40.55 C ATOM 896 CG PRO A 459 -13.736 -18.229 -9.111 1.00 74.33 C ATOM 897 CD PRO A 459 -13.611 -17.484 -7.830 1.00 2.13 C ATOM 0 HA PRO A 459 -14.862 -20.388 -7.307 1.00 64.52 H new ATOM 0 HB2 PRO A 459 -12.333 -19.818 -8.847 1.00 40.55 H new ATOM 0 HB3 PRO A 459 -13.886 -20.328 -9.479 1.00 40.55 H new ATOM 0 HG2 PRO A 459 -13.056 -17.831 -9.864 1.00 74.33 H new ATOM 0 HG3 PRO A 459 -14.744 -18.146 -9.516 1.00 74.33 H new ATOM 0 HD2 PRO A 459 -12.585 -17.163 -7.647 1.00 2.13 H new ATOM 0 HD3 PRO A 459 -14.232 -16.588 -7.821 1.00 2.13 H new ATOM 905 N ILE A 460 -11.866 -19.984 -6.080 1.00 32.00 N ATOM 906 CA ILE A 460 -10.840 -20.637 -5.288 1.00 4.31 C ATOM 907 C ILE A 460 -11.414 -21.108 -3.950 1.00 2.41 C ATOM 908 O ILE A 460 -11.163 -22.235 -3.529 1.00 61.11 O ATOM 909 CB ILE A 460 -9.603 -19.725 -5.078 1.00 52.22 C ATOM 910 CG1 ILE A 460 -8.986 -19.369 -6.438 1.00 33.21 C ATOM 911 CG2 ILE A 460 -8.568 -20.414 -4.194 1.00 33.55 C ATOM 912 CD1 ILE A 460 -7.791 -18.442 -6.357 1.00 14.41 C ATOM 0 H ILE A 460 -11.701 -18.991 -6.247 1.00 32.00 H new ATOM 0 HA ILE A 460 -10.499 -21.511 -5.843 1.00 4.31 H new ATOM 0 HB ILE A 460 -9.923 -18.811 -4.578 1.00 52.22 H new ATOM 0 HG12 ILE A 460 -8.684 -20.289 -6.939 1.00 33.21 H new ATOM 0 HG13 ILE A 460 -9.751 -18.904 -7.060 1.00 33.21 H new ATOM 0 HG21 ILE A 460 -7.709 -19.757 -4.060 1.00 33.55 H new ATOM 0 HG22 ILE A 460 -9.010 -20.637 -3.223 1.00 33.55 H new ATOM 0 HG23 ILE A 460 -8.245 -21.341 -4.667 1.00 33.55 H new ATOM 0 HD11 ILE A 460 -7.417 -18.242 -7.361 1.00 14.41 H new ATOM 0 HD12 ILE A 460 -8.089 -17.505 -5.887 1.00 14.41 H new ATOM 0 HD13 ILE A 460 -7.006 -18.911 -5.764 1.00 14.41 H new ATOM 924 N ILE A 461 -12.226 -20.265 -3.315 1.00 1.33 N ATOM 925 CA ILE A 461 -12.890 -20.622 -2.056 1.00 2.00 C ATOM 926 C ILE A 461 -13.803 -21.845 -2.256 1.00 30.23 C ATOM 927 O ILE A 461 -13.958 -22.679 -1.365 1.00 31.23 O ATOM 928 CB ILE A 461 -13.700 -19.421 -1.452 1.00 72.24 C ATOM 929 CG1 ILE A 461 -12.751 -18.264 -1.084 1.00 4.55 C ATOM 930 CG2 ILE A 461 -14.505 -19.852 -0.225 1.00 23.23 C ATOM 931 CD1 ILE A 461 -13.451 -17.034 -0.525 1.00 11.41 C ATOM 0 H ILE A 461 -12.442 -19.326 -3.650 1.00 1.33 H new ATOM 0 HA ILE A 461 -12.109 -20.876 -1.339 1.00 2.00 H new ATOM 0 HB ILE A 461 -14.402 -19.078 -2.212 1.00 72.24 H new ATOM 0 HG12 ILE A 461 -12.029 -18.621 -0.350 1.00 4.55 H new ATOM 0 HG13 ILE A 461 -12.188 -17.975 -1.971 1.00 4.55 H new ATOM 0 HG21 ILE A 461 -15.054 -18.997 0.169 1.00 23.23 H new ATOM 0 HG22 ILE A 461 -15.208 -20.636 -0.508 1.00 23.23 H new ATOM 0 HG23 ILE A 461 -13.827 -20.231 0.540 1.00 23.23 H new ATOM 0 HD11 ILE A 461 -12.711 -16.268 -0.292 1.00 11.41 H new ATOM 0 HD12 ILE A 461 -14.153 -16.648 -1.264 1.00 11.41 H new ATOM 0 HD13 ILE A 461 -13.991 -17.304 0.382 1.00 11.41 H new ATOM 943 N CYS A 462 -14.341 -21.981 -3.440 1.00 32.33 N ATOM 944 CA CYS A 462 -15.210 -23.096 -3.744 1.00 22.11 C ATOM 945 C CYS A 462 -14.395 -24.387 -3.881 1.00 42.54 C ATOM 946 O CYS A 462 -14.882 -25.483 -3.581 1.00 50.21 O ATOM 947 CB CYS A 462 -16.006 -22.809 -5.015 1.00 3.24 C ATOM 948 SG CYS A 462 -17.013 -21.305 -4.915 1.00 70.23 S ATOM 0 H CYS A 462 -14.194 -21.333 -4.214 1.00 32.33 H new ATOM 0 HA CYS A 462 -15.915 -23.231 -2.924 1.00 22.11 H new ATOM 0 HB2 CYS A 462 -15.316 -22.719 -5.854 1.00 3.24 H new ATOM 0 HB3 CYS A 462 -16.656 -23.658 -5.227 1.00 3.24 H new ATOM 0 HG CYS A 462 -16.236 -20.263 -4.896 1.00 70.23 H new ATOM 954 N GLN A 463 -13.134 -24.238 -4.285 1.00 73.40 N ATOM 955 CA GLN A 463 -12.243 -25.380 -4.485 1.00 30.15 C ATOM 956 C GLN A 463 -11.726 -25.798 -3.141 1.00 62.25 C ATOM 957 O GLN A 463 -11.546 -26.976 -2.832 1.00 24.11 O ATOM 958 CB GLN A 463 -11.078 -25.005 -5.411 1.00 1.42 C ATOM 959 CG GLN A 463 -11.492 -24.642 -6.833 1.00 2.25 C ATOM 960 CD GLN A 463 -12.174 -25.789 -7.564 1.00 23.42 C ATOM 961 OE1 GLN A 463 -11.893 -26.966 -7.312 1.00 22.13 O ATOM 962 NE2 GLN A 463 -13.052 -25.467 -8.472 1.00 61.33 N ATOM 0 H GLN A 463 -12.705 -23.334 -4.481 1.00 73.40 H new ATOM 0 HA GLN A 463 -12.786 -26.199 -4.957 1.00 30.15 H new ATOM 0 HB2 GLN A 463 -10.542 -24.162 -4.976 1.00 1.42 H new ATOM 0 HB3 GLN A 463 -10.379 -25.841 -5.452 1.00 1.42 H new ATOM 0 HG2 GLN A 463 -12.166 -23.786 -6.802 1.00 2.25 H new ATOM 0 HG3 GLN A 463 -10.610 -24.333 -7.395 1.00 2.25 H new ATOM 0 HE21 GLN A 463 -13.260 -24.485 -8.655 1.00 61.33 H new ATOM 0 HE22 GLN A 463 -13.531 -26.197 -9.000 1.00 61.33 H new ATOM 971 N LEU A 464 -11.504 -24.792 -2.361 1.00 33.02 N ATOM 972 CA LEU A 464 -11.036 -24.837 -1.036 1.00 52.40 C ATOM 973 C LEU A 464 -11.986 -25.651 -0.156 1.00 61.44 C ATOM 974 O LEU A 464 -11.544 -26.451 0.647 1.00 23.45 O ATOM 975 CB LEU A 464 -10.951 -23.372 -0.638 1.00 34.24 C ATOM 976 CG LEU A 464 -10.400 -22.957 0.683 1.00 24.15 C ATOM 977 CD1 LEU A 464 -10.214 -21.461 0.622 1.00 54.35 C ATOM 978 CD2 LEU A 464 -11.345 -23.294 1.818 1.00 22.54 C ATOM 0 H LEU A 464 -11.664 -23.835 -2.675 1.00 33.02 H new ATOM 0 HA LEU A 464 -10.073 -25.334 -0.923 1.00 52.40 H new ATOM 0 HB2 LEU A 464 -10.357 -22.870 -1.401 1.00 34.24 H new ATOM 0 HB3 LEU A 464 -11.961 -22.967 -0.702 1.00 34.24 H new ATOM 0 HG LEU A 464 -9.465 -23.484 0.874 1.00 24.15 H new ATOM 0 HD11 LEU A 464 -9.811 -21.106 1.570 1.00 54.35 H new ATOM 0 HD12 LEU A 464 -9.522 -21.213 -0.183 1.00 54.35 H new ATOM 0 HD13 LEU A 464 -11.175 -20.982 0.434 1.00 54.35 H new ATOM 0 HD21 LEU A 464 -10.906 -22.975 2.764 1.00 22.54 H new ATOM 0 HD22 LEU A 464 -12.294 -22.779 1.666 1.00 22.54 H new ATOM 0 HD23 LEU A 464 -11.516 -24.370 1.842 1.00 22.54 H new ATOM 990 N ARG A 465 -13.283 -25.462 -0.337 1.00 65.55 N ATOM 991 CA ARG A 465 -14.289 -26.215 0.432 1.00 70.02 C ATOM 992 C ARG A 465 -14.211 -27.711 0.114 1.00 42.14 C ATOM 993 O ARG A 465 -14.610 -28.550 0.911 1.00 62.14 O ATOM 994 CB ARG A 465 -15.691 -25.671 0.149 1.00 45.54 C ATOM 995 CG ARG A 465 -15.872 -24.226 0.575 1.00 34.40 C ATOM 996 CD ARG A 465 -17.234 -23.670 0.187 1.00 11.40 C ATOM 997 NE ARG A 465 -17.355 -22.266 0.600 1.00 55.53 N ATOM 998 CZ ARG A 465 -18.189 -21.358 0.083 1.00 73.10 C ATOM 999 NH1 ARG A 465 -19.041 -21.689 -0.878 1.00 35.44 N ATOM 1000 NH2 ARG A 465 -18.172 -20.114 0.544 1.00 20.34 N ATOM 0 H ARG A 465 -13.674 -24.798 -1.005 1.00 65.55 H new ATOM 0 HA ARG A 465 -14.077 -26.087 1.494 1.00 70.02 H new ATOM 0 HB2 ARG A 465 -15.898 -25.757 -0.918 1.00 45.54 H new ATOM 0 HB3 ARG A 465 -16.424 -26.290 0.666 1.00 45.54 H new ATOM 0 HG2 ARG A 465 -15.747 -24.151 1.655 1.00 34.40 H new ATOM 0 HG3 ARG A 465 -15.091 -23.616 0.120 1.00 34.40 H new ATOM 0 HD2 ARG A 465 -17.372 -23.751 -0.891 1.00 11.40 H new ATOM 0 HD3 ARG A 465 -18.021 -24.262 0.655 1.00 11.40 H new ATOM 0 HE ARG A 465 -16.744 -21.953 1.354 1.00 55.53 H new ATOM 0 HH11 ARG A 465 -19.065 -22.646 -1.231 1.00 35.44 H new ATOM 0 HH12 ARG A 465 -19.672 -20.987 -1.264 1.00 35.44 H new ATOM 0 HH21 ARG A 465 -17.525 -19.855 1.289 1.00 20.34 H new ATOM 0 HH22 ARG A 465 -18.806 -19.417 0.154 1.00 20.34 H new ATOM 1014 N SER A 466 -13.663 -28.025 -1.036 1.00 14.51 N ATOM 1015 CA SER A 466 -13.458 -29.389 -1.453 1.00 32.34 C ATOM 1016 C SER A 466 -12.105 -29.905 -0.928 1.00 31.30 C ATOM 1017 O SER A 466 -11.943 -31.089 -0.656 1.00 53.44 O ATOM 1018 CB SER A 466 -13.518 -29.455 -2.969 1.00 41.12 C ATOM 1019 OG SER A 466 -14.792 -29.005 -3.428 1.00 54.52 O ATOM 0 H SER A 466 -13.344 -27.333 -1.714 1.00 14.51 H new ATOM 0 HA SER A 466 -14.240 -30.027 -1.040 1.00 32.34 H new ATOM 0 HB2 SER A 466 -12.729 -28.838 -3.399 1.00 41.12 H new ATOM 0 HB3 SER A 466 -13.342 -30.477 -3.304 1.00 41.12 H new ATOM 0 HG SER A 466 -14.821 -29.049 -4.407 1.00 54.52 H new ATOM 1025 N GLN A 467 -11.153 -28.997 -0.767 1.00 13.43 N ATOM 1026 CA GLN A 467 -9.831 -29.336 -0.233 1.00 74.32 C ATOM 1027 C GLN A 467 -9.972 -29.586 1.273 1.00 32.14 C ATOM 1028 O GLN A 467 -9.395 -30.527 1.832 1.00 71.40 O ATOM 1029 CB GLN A 467 -8.858 -28.176 -0.496 1.00 63.42 C ATOM 1030 CG GLN A 467 -7.407 -28.452 -0.120 1.00 60.33 C ATOM 1031 CD GLN A 467 -6.796 -29.577 -0.935 1.00 42.12 C ATOM 1032 OE1 GLN A 467 -6.844 -30.750 -0.548 1.00 71.30 O ATOM 1033 NE2 GLN A 467 -6.234 -29.237 -2.069 1.00 13.23 N ATOM 0 H GLN A 467 -11.268 -28.010 -0.999 1.00 13.43 H new ATOM 0 HA GLN A 467 -9.439 -30.230 -0.718 1.00 74.32 H new ATOM 0 HB2 GLN A 467 -8.900 -27.919 -1.555 1.00 63.42 H new ATOM 0 HB3 GLN A 467 -9.201 -27.302 0.058 1.00 63.42 H new ATOM 0 HG2 GLN A 467 -6.820 -27.545 -0.263 1.00 60.33 H new ATOM 0 HG3 GLN A 467 -7.352 -28.704 0.939 1.00 60.33 H new ATOM 0 HE21 GLN A 467 -6.214 -28.258 -2.355 1.00 13.23 H new ATOM 0 HE22 GLN A 467 -5.817 -29.951 -2.666 1.00 13.23 H new ATOM 1042 N GLU A 468 -10.781 -28.734 1.901 1.00 33.14 N ATOM 1043 CA GLU A 468 -11.137 -28.833 3.312 1.00 11.31 C ATOM 1044 C GLU A 468 -12.109 -30.008 3.501 1.00 23.33 C ATOM 1045 O GLU A 468 -12.327 -30.498 4.614 1.00 13.45 O ATOM 1046 CB GLU A 468 -11.800 -27.506 3.741 1.00 71.23 C ATOM 1047 CG GLU A 468 -12.234 -27.433 5.193 1.00 71.05 C ATOM 1048 CD GLU A 468 -12.876 -26.111 5.536 1.00 14.24 C ATOM 1049 OE1 GLU A 468 -14.073 -25.912 5.212 1.00 32.12 O ATOM 1050 OE2 GLU A 468 -12.209 -25.257 6.157 1.00 0.44 O ATOM 0 H GLU A 468 -11.215 -27.940 1.431 1.00 33.14 H new ATOM 0 HA GLU A 468 -10.253 -29.009 3.925 1.00 11.31 H new ATOM 0 HB2 GLU A 468 -11.102 -26.692 3.547 1.00 71.23 H new ATOM 0 HB3 GLU A 468 -12.672 -27.335 3.110 1.00 71.23 H new ATOM 0 HG2 GLU A 468 -12.937 -28.240 5.400 1.00 71.05 H new ATOM 0 HG3 GLU A 468 -11.369 -27.591 5.836 1.00 71.05 H new