USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=6 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 463 GLN : amide:sc= -0.154 K(o=-0.00079,f=-2.6!) USER MOD Set 1.2: A 467 GLN : amide:sc= 0.154 K(o=-0.00079,f=-5.1!) USER MOD Single : A 404 SER OG : rot -24:sc= 0.00748 USER MOD Single : A 405 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 418 GLN : amide:sc= -0.577 X(o=-0.58,f=-0.96) USER MOD Single : A 419 SER OG : rot 180:sc= 0 USER MOD Single : A 437 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 439 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 442 HIS : no HD1:sc=-0.00935 X(o=-0.0093,f=-0.37) USER MOD Single : A 443 TYR OH : rot 180:sc= 0 USER MOD Single : A 445 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 446 TYR OH : rot 180:sc= 0 USER MOD Single : A 462 CYS SG : rot 1:sc= 1.09 USER MOD Single : A 466 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 10 N SER A 404 -21.365 14.686 13.191 1.00 2.40 N ATOM 11 CA SER A 404 -20.826 13.323 13.039 1.00 54.11 C ATOM 12 C SER A 404 -21.635 12.248 13.804 1.00 21.41 C ATOM 13 O SER A 404 -21.150 11.146 14.048 1.00 75.42 O ATOM 14 CB SER A 404 -19.304 13.267 13.363 1.00 41.13 C ATOM 15 OG SER A 404 -18.995 13.699 14.683 1.00 54.52 O ATOM 0 HA SER A 404 -20.942 13.069 11.985 1.00 54.11 H new ATOM 0 HB2 SER A 404 -18.948 12.245 13.230 1.00 41.13 H new ATOM 0 HB3 SER A 404 -18.764 13.888 12.649 1.00 41.13 H new ATOM 0 HG SER A 404 -19.703 14.294 15.007 1.00 54.52 H new ATOM 21 N LYS A 405 -22.894 12.559 14.094 1.00 64.54 N ATOM 22 CA LYS A 405 -23.798 11.656 14.816 1.00 70.23 C ATOM 23 C LYS A 405 -24.185 10.476 13.943 1.00 24.30 C ATOM 24 O LYS A 405 -24.569 9.416 14.432 1.00 1.52 O ATOM 25 CB LYS A 405 -25.052 12.397 15.299 1.00 41.23 C ATOM 26 CG LYS A 405 -24.790 13.480 16.341 1.00 34.21 C ATOM 27 CD LYS A 405 -24.224 12.894 17.630 1.00 74.34 C ATOM 28 CE LYS A 405 -24.013 13.969 18.682 1.00 23.42 C ATOM 29 NZ LYS A 405 -23.474 13.413 19.940 1.00 64.31 N ATOM 0 H LYS A 405 -23.323 13.448 13.836 1.00 64.54 H new ATOM 0 HA LYS A 405 -23.267 11.283 15.692 1.00 70.23 H new ATOM 0 HB2 LYS A 405 -25.543 12.851 14.438 1.00 41.23 H new ATOM 0 HB3 LYS A 405 -25.749 11.670 15.717 1.00 41.23 H new ATOM 0 HG2 LYS A 405 -24.092 14.213 15.937 1.00 34.21 H new ATOM 0 HG3 LYS A 405 -25.718 14.009 16.558 1.00 34.21 H new ATOM 0 HD2 LYS A 405 -24.904 12.134 18.015 1.00 74.34 H new ATOM 0 HD3 LYS A 405 -23.277 12.397 17.420 1.00 74.34 H new ATOM 0 HE2 LYS A 405 -23.328 14.724 18.296 1.00 23.42 H new ATOM 0 HE3 LYS A 405 -24.960 14.470 18.883 1.00 23.42 H new ATOM 0 HZ1 LYS A 405 -23.345 14.179 20.631 1.00 64.31 H new ATOM 0 HZ2 LYS A 405 -24.139 12.711 20.322 1.00 64.31 H new ATOM 0 HZ3 LYS A 405 -22.558 12.957 19.754 1.00 64.31 H new ATOM 43 N ILE A 406 -24.063 10.666 12.657 1.00 24.22 N ATOM 44 CA ILE A 406 -24.409 9.643 11.698 1.00 30.10 C ATOM 45 C ILE A 406 -23.216 8.682 11.481 1.00 44.44 C ATOM 46 O ILE A 406 -23.384 7.565 11.002 1.00 42.01 O ATOM 47 CB ILE A 406 -24.852 10.290 10.343 1.00 51.41 C ATOM 48 CG1 ILE A 406 -25.221 9.225 9.291 1.00 73.23 C ATOM 49 CG2 ILE A 406 -23.776 11.239 9.815 1.00 55.12 C ATOM 50 CD1 ILE A 406 -25.670 9.792 7.959 1.00 11.15 C ATOM 0 H ILE A 406 -23.721 11.533 12.241 1.00 24.22 H new ATOM 0 HA ILE A 406 -25.247 9.067 12.091 1.00 30.10 H new ATOM 0 HB ILE A 406 -25.753 10.872 10.538 1.00 51.41 H new ATOM 0 HG12 ILE A 406 -24.358 8.580 9.126 1.00 73.23 H new ATOM 0 HG13 ILE A 406 -26.016 8.596 9.691 1.00 73.23 H new ATOM 0 HG21 ILE A 406 -24.107 11.676 8.873 1.00 55.12 H new ATOM 0 HG22 ILE A 406 -23.602 12.032 10.542 1.00 55.12 H new ATOM 0 HG23 ILE A 406 -22.851 10.686 9.653 1.00 55.12 H new ATOM 0 HD11 ILE A 406 -25.910 8.975 7.278 1.00 11.15 H new ATOM 0 HD12 ILE A 406 -26.554 10.413 8.107 1.00 11.15 H new ATOM 0 HD13 ILE A 406 -24.870 10.397 7.532 1.00 11.15 H new ATOM 62 N GLU A 407 -22.032 9.093 11.913 1.00 61.32 N ATOM 63 CA GLU A 407 -20.832 8.283 11.723 1.00 34.21 C ATOM 64 C GLU A 407 -20.889 6.927 12.454 1.00 12.34 C ATOM 65 O GLU A 407 -20.569 5.909 11.846 1.00 61.04 O ATOM 66 CB GLU A 407 -19.553 9.045 12.043 1.00 60.20 C ATOM 67 CG GLU A 407 -19.335 10.256 11.162 1.00 32.10 C ATOM 68 CD GLU A 407 -19.370 9.918 9.685 1.00 12.31 C ATOM 69 OE1 GLU A 407 -20.324 10.316 9.002 1.00 13.34 O ATOM 70 OE2 GLU A 407 -18.444 9.247 9.191 1.00 53.32 O ATOM 0 H GLU A 407 -21.874 9.978 12.395 1.00 61.32 H new ATOM 0 HA GLU A 407 -20.807 8.053 10.658 1.00 34.21 H new ATOM 0 HB2 GLU A 407 -19.581 9.364 13.085 1.00 60.20 H new ATOM 0 HB3 GLU A 407 -18.702 8.372 11.938 1.00 60.20 H new ATOM 0 HG2 GLU A 407 -20.101 11.000 11.379 1.00 32.10 H new ATOM 0 HG3 GLU A 407 -18.373 10.708 11.404 1.00 32.10 H new ATOM 77 N PRO A 408 -21.301 6.870 13.763 1.00 13.10 N ATOM 78 CA PRO A 408 -21.461 5.592 14.484 1.00 33.20 C ATOM 79 C PRO A 408 -22.561 4.701 13.870 1.00 51.32 C ATOM 80 O PRO A 408 -22.713 3.550 14.238 1.00 54.45 O ATOM 81 CB PRO A 408 -21.847 6.016 15.911 1.00 41.01 C ATOM 82 CG PRO A 408 -22.369 7.398 15.762 1.00 2.55 C ATOM 83 CD PRO A 408 -21.572 8.014 14.662 1.00 74.23 C ATOM 0 HA PRO A 408 -20.552 4.992 14.440 1.00 33.20 H new ATOM 0 HB2 PRO A 408 -22.601 5.351 16.332 1.00 41.01 H new ATOM 0 HB3 PRO A 408 -20.987 5.987 16.580 1.00 41.01 H new ATOM 0 HG2 PRO A 408 -23.432 7.391 15.519 1.00 2.55 H new ATOM 0 HG3 PRO A 408 -22.257 7.961 16.689 1.00 2.55 H new ATOM 0 HD2 PRO A 408 -22.127 8.803 14.155 1.00 74.23 H new ATOM 0 HD3 PRO A 408 -20.650 8.462 15.034 1.00 74.23 H new ATOM 91 N VAL A 409 -23.325 5.250 12.946 1.00 41.43 N ATOM 92 CA VAL A 409 -24.350 4.495 12.246 1.00 73.33 C ATOM 93 C VAL A 409 -23.717 3.847 11.011 1.00 0.32 C ATOM 94 O VAL A 409 -24.116 2.768 10.575 1.00 53.13 O ATOM 95 CB VAL A 409 -25.534 5.414 11.810 1.00 10.20 C ATOM 96 CG1 VAL A 409 -26.635 4.618 11.117 1.00 25.10 C ATOM 97 CG2 VAL A 409 -26.092 6.173 13.005 1.00 63.23 C ATOM 0 H VAL A 409 -23.255 6.226 12.659 1.00 41.43 H new ATOM 0 HA VAL A 409 -24.750 3.734 12.916 1.00 73.33 H new ATOM 0 HB VAL A 409 -25.145 6.135 11.091 1.00 10.20 H new ATOM 0 HG11 VAL A 409 -27.443 5.290 10.827 1.00 25.10 H new ATOM 0 HG12 VAL A 409 -26.230 4.134 10.228 1.00 25.10 H new ATOM 0 HG13 VAL A 409 -27.021 3.860 11.799 1.00 25.10 H new ATOM 0 HG21 VAL A 409 -26.916 6.808 12.680 1.00 63.23 H new ATOM 0 HG22 VAL A 409 -26.452 5.464 13.751 1.00 63.23 H new ATOM 0 HG23 VAL A 409 -25.308 6.792 13.442 1.00 63.23 H new ATOM 107 N VAL A 410 -22.693 4.502 10.492 1.00 62.23 N ATOM 108 CA VAL A 410 -21.977 4.037 9.315 1.00 35.10 C ATOM 109 C VAL A 410 -21.167 2.781 9.637 1.00 34.41 C ATOM 110 O VAL A 410 -21.007 1.922 8.792 1.00 23.43 O ATOM 111 CB VAL A 410 -21.045 5.144 8.740 1.00 73.43 C ATOM 112 CG1 VAL A 410 -20.307 4.670 7.490 1.00 31.31 C ATOM 113 CG2 VAL A 410 -21.836 6.399 8.435 1.00 13.03 C ATOM 0 H VAL A 410 -22.333 5.375 10.876 1.00 62.23 H new ATOM 0 HA VAL A 410 -22.719 3.793 8.555 1.00 35.10 H new ATOM 0 HB VAL A 410 -20.299 5.370 9.502 1.00 73.43 H new ATOM 0 HG11 VAL A 410 -19.667 5.471 7.119 1.00 31.31 H new ATOM 0 HG12 VAL A 410 -19.696 3.802 7.736 1.00 31.31 H new ATOM 0 HG13 VAL A 410 -21.031 4.399 6.721 1.00 31.31 H new ATOM 0 HG21 VAL A 410 -21.168 7.162 8.034 1.00 13.03 H new ATOM 0 HG22 VAL A 410 -22.610 6.172 7.701 1.00 13.03 H new ATOM 0 HG23 VAL A 410 -22.300 6.768 9.350 1.00 13.03 H new ATOM 123 N LEU A 411 -20.673 2.677 10.866 1.00 10.31 N ATOM 124 CA LEU A 411 -19.916 1.480 11.282 1.00 44.12 C ATOM 125 C LEU A 411 -20.689 0.165 11.108 1.00 32.23 C ATOM 126 O LEU A 411 -20.197 -0.734 10.433 1.00 14.35 O ATOM 127 CB LEU A 411 -19.284 1.588 12.683 1.00 75.01 C ATOM 128 CG LEU A 411 -17.985 2.409 12.818 1.00 33.14 C ATOM 129 CD1 LEU A 411 -16.884 1.822 11.949 1.00 45.03 C ATOM 130 CD2 LEU A 411 -18.199 3.879 12.492 1.00 43.12 C ATOM 0 H LEU A 411 -20.775 3.390 11.589 1.00 10.31 H new ATOM 0 HA LEU A 411 -19.085 1.446 10.577 1.00 44.12 H new ATOM 0 HB2 LEU A 411 -20.026 2.020 13.354 1.00 75.01 H new ATOM 0 HB3 LEU A 411 -19.082 0.578 13.039 1.00 75.01 H new ATOM 0 HG LEU A 411 -17.676 2.351 13.862 1.00 33.14 H new ATOM 0 HD11 LEU A 411 -15.977 2.417 12.060 1.00 45.03 H new ATOM 0 HD12 LEU A 411 -16.685 0.796 12.258 1.00 45.03 H new ATOM 0 HD13 LEU A 411 -17.200 1.832 10.906 1.00 45.03 H new ATOM 0 HD21 LEU A 411 -17.257 4.417 12.601 1.00 43.12 H new ATOM 0 HD22 LEU A 411 -18.556 3.976 11.467 1.00 43.12 H new ATOM 0 HD23 LEU A 411 -18.938 4.299 13.175 1.00 43.12 H new ATOM 142 N PRO A 412 -21.909 0.007 11.700 1.00 32.32 N ATOM 143 CA PRO A 412 -22.702 -1.198 11.493 1.00 24.04 C ATOM 144 C PRO A 412 -23.006 -1.405 10.001 1.00 24.00 C ATOM 145 O PRO A 412 -23.046 -2.536 9.506 1.00 55.32 O ATOM 146 CB PRO A 412 -23.999 -0.932 12.267 1.00 5.51 C ATOM 147 CG PRO A 412 -23.642 0.105 13.265 1.00 1.22 C ATOM 148 CD PRO A 412 -22.575 0.940 12.628 1.00 12.20 C ATOM 0 HA PRO A 412 -22.184 -2.096 11.829 1.00 24.04 H new ATOM 0 HB2 PRO A 412 -24.791 -0.585 11.603 1.00 5.51 H new ATOM 0 HB3 PRO A 412 -24.363 -1.838 12.752 1.00 5.51 H new ATOM 0 HG2 PRO A 412 -24.509 0.712 13.525 1.00 1.22 H new ATOM 0 HG3 PRO A 412 -23.283 -0.349 14.188 1.00 1.22 H new ATOM 0 HD2 PRO A 412 -22.997 1.796 12.101 1.00 12.20 H new ATOM 0 HD3 PRO A 412 -21.879 1.333 13.369 1.00 12.20 H new ATOM 156 N LEU A 413 -23.190 -0.299 9.287 1.00 53.12 N ATOM 157 CA LEU A 413 -23.472 -0.336 7.864 1.00 72.30 C ATOM 158 C LEU A 413 -22.241 -0.730 7.056 1.00 14.50 C ATOM 159 O LEU A 413 -22.364 -1.221 5.945 1.00 51.53 O ATOM 160 CB LEU A 413 -24.015 0.998 7.378 1.00 3.52 C ATOM 161 CG LEU A 413 -25.338 1.447 7.999 1.00 62.41 C ATOM 162 CD1 LEU A 413 -25.774 2.744 7.385 1.00 30.42 C ATOM 163 CD2 LEU A 413 -26.417 0.384 7.826 1.00 14.03 C ATOM 0 H LEU A 413 -23.147 0.641 9.680 1.00 53.12 H new ATOM 0 HA LEU A 413 -24.235 -1.099 7.709 1.00 72.30 H new ATOM 0 HB2 LEU A 413 -23.266 1.766 7.572 1.00 3.52 H new ATOM 0 HB3 LEU A 413 -24.143 0.944 6.297 1.00 3.52 H new ATOM 0 HG LEU A 413 -25.185 1.592 9.068 1.00 62.41 H new ATOM 0 HD11 LEU A 413 -26.717 3.059 7.831 1.00 30.42 H new ATOM 0 HD12 LEU A 413 -25.015 3.505 7.565 1.00 30.42 H new ATOM 0 HD13 LEU A 413 -25.907 2.612 6.311 1.00 30.42 H new ATOM 0 HD21 LEU A 413 -27.346 0.732 8.278 1.00 14.03 H new ATOM 0 HD22 LEU A 413 -26.577 0.198 6.764 1.00 14.03 H new ATOM 0 HD23 LEU A 413 -26.100 -0.539 8.313 1.00 14.03 H new ATOM 175 N LEU A 414 -21.061 -0.519 7.625 1.00 15.43 N ATOM 176 CA LEU A 414 -19.808 -0.873 6.979 1.00 73.43 C ATOM 177 C LEU A 414 -19.725 -2.357 6.767 1.00 32.03 C ATOM 178 O LEU A 414 -19.429 -2.804 5.679 1.00 34.01 O ATOM 179 CB LEU A 414 -18.598 -0.378 7.787 1.00 5.34 C ATOM 180 CG LEU A 414 -17.215 -0.791 7.256 1.00 63.55 C ATOM 181 CD1 LEU A 414 -16.991 -0.276 5.845 1.00 74.52 C ATOM 182 CD2 LEU A 414 -16.116 -0.309 8.189 1.00 12.53 C ATOM 0 H LEU A 414 -20.948 -0.098 8.547 1.00 15.43 H new ATOM 0 HA LEU A 414 -19.785 -0.378 6.008 1.00 73.43 H new ATOM 0 HB2 LEU A 414 -18.637 0.710 7.832 1.00 5.34 H new ATOM 0 HB3 LEU A 414 -18.696 -0.743 8.810 1.00 5.34 H new ATOM 0 HG LEU A 414 -17.181 -1.880 7.221 1.00 63.55 H new ATOM 0 HD11 LEU A 414 -16.005 -0.584 5.497 1.00 74.52 H new ATOM 0 HD12 LEU A 414 -17.754 -0.686 5.183 1.00 74.52 H new ATOM 0 HD13 LEU A 414 -17.054 0.812 5.841 1.00 74.52 H new ATOM 0 HD21 LEU A 414 -15.146 -0.612 7.795 1.00 12.53 H new ATOM 0 HD22 LEU A 414 -16.154 0.778 8.265 1.00 12.53 H new ATOM 0 HD23 LEU A 414 -16.259 -0.747 9.177 1.00 12.53 H new ATOM 194 N TRP A 415 -20.027 -3.123 7.807 1.00 74.51 N ATOM 195 CA TRP A 415 -20.001 -4.589 7.721 1.00 62.32 C ATOM 196 C TRP A 415 -20.979 -5.055 6.652 1.00 74.54 C ATOM 197 O TRP A 415 -20.755 -6.041 5.951 1.00 10.52 O ATOM 198 CB TRP A 415 -20.391 -5.215 9.065 1.00 35.11 C ATOM 199 CG TRP A 415 -19.519 -4.803 10.212 1.00 72.41 C ATOM 200 CD1 TRP A 415 -19.769 -3.806 11.105 1.00 42.10 C ATOM 201 CD2 TRP A 415 -18.260 -5.372 10.588 1.00 45.44 C ATOM 202 NE1 TRP A 415 -18.748 -3.721 12.010 1.00 65.45 N ATOM 203 CE2 TRP A 415 -17.809 -4.669 11.719 1.00 44.33 C ATOM 204 CE3 TRP A 415 -17.471 -6.410 10.080 1.00 74.13 C ATOM 205 CZ2 TRP A 415 -16.602 -4.968 12.353 1.00 14.31 C ATOM 206 CZ3 TRP A 415 -16.277 -6.706 10.709 1.00 11.31 C ATOM 207 CH2 TRP A 415 -15.852 -5.986 11.833 1.00 54.42 C ATOM 0 H TRP A 415 -20.293 -2.760 8.722 1.00 74.51 H new ATOM 0 HA TRP A 415 -18.989 -4.903 7.463 1.00 62.32 H new ATOM 0 HB2 TRP A 415 -21.422 -4.946 9.293 1.00 35.11 H new ATOM 0 HB3 TRP A 415 -20.358 -6.300 8.970 1.00 35.11 H new ATOM 0 HD1 TRP A 415 -20.645 -3.175 11.099 1.00 42.10 H new ATOM 0 HE1 TRP A 415 -18.696 -3.055 12.781 1.00 65.45 H new ATOM 0 HE3 TRP A 415 -17.789 -6.969 9.213 1.00 74.13 H new ATOM 0 HZ2 TRP A 415 -16.273 -4.416 13.221 1.00 14.31 H new ATOM 0 HZ3 TRP A 415 -15.661 -7.506 10.327 1.00 11.31 H new ATOM 0 HH2 TRP A 415 -14.912 -6.241 12.299 1.00 54.42 H new ATOM 218 N PHE A 416 -22.042 -4.308 6.524 1.00 31.44 N ATOM 219 CA PHE A 416 -23.102 -4.590 5.594 1.00 12.30 C ATOM 220 C PHE A 416 -22.649 -4.260 4.159 1.00 52.00 C ATOM 221 O PHE A 416 -23.023 -4.940 3.186 1.00 43.22 O ATOM 222 CB PHE A 416 -24.341 -3.783 6.023 1.00 54.43 C ATOM 223 CG PHE A 416 -25.594 -3.961 5.224 1.00 71.34 C ATOM 224 CD1 PHE A 416 -26.491 -4.967 5.537 1.00 21.52 C ATOM 225 CD2 PHE A 416 -25.895 -3.100 4.183 1.00 25.02 C ATOM 226 CE1 PHE A 416 -27.662 -5.111 4.826 1.00 14.31 C ATOM 227 CE2 PHE A 416 -27.061 -3.244 3.466 1.00 64.20 C ATOM 228 CZ PHE A 416 -27.946 -4.248 3.788 1.00 73.31 C ATOM 0 H PHE A 416 -22.199 -3.466 7.077 1.00 31.44 H new ATOM 0 HA PHE A 416 -23.359 -5.649 5.601 1.00 12.30 H new ATOM 0 HB2 PHE A 416 -24.565 -4.036 7.059 1.00 54.43 H new ATOM 0 HB3 PHE A 416 -24.077 -2.726 6.003 1.00 54.43 H new ATOM 0 HD1 PHE A 416 -26.271 -5.646 6.347 1.00 21.52 H new ATOM 0 HD2 PHE A 416 -25.207 -2.306 3.931 1.00 25.02 H new ATOM 0 HE1 PHE A 416 -28.356 -5.898 5.081 1.00 14.31 H new ATOM 0 HE2 PHE A 416 -27.281 -2.570 2.651 1.00 64.20 H new ATOM 0 HZ PHE A 416 -28.863 -4.360 3.228 1.00 73.31 H new ATOM 238 N GLU A 417 -21.826 -3.241 4.060 1.00 4.14 N ATOM 239 CA GLU A 417 -21.285 -2.768 2.817 1.00 31.31 C ATOM 240 C GLU A 417 -20.308 -3.802 2.270 1.00 44.52 C ATOM 241 O GLU A 417 -20.286 -4.074 1.073 1.00 72.42 O ATOM 242 CB GLU A 417 -20.550 -1.440 3.066 1.00 51.44 C ATOM 243 CG GLU A 417 -20.001 -0.775 1.821 1.00 54.41 C ATOM 244 CD GLU A 417 -19.183 0.464 2.115 1.00 62.30 C ATOM 245 OE1 GLU A 417 -17.943 0.352 2.219 1.00 73.23 O ATOM 246 OE2 GLU A 417 -19.758 1.570 2.209 1.00 42.51 O ATOM 0 H GLU A 417 -21.509 -2.706 4.869 1.00 4.14 H new ATOM 0 HA GLU A 417 -22.086 -2.612 2.095 1.00 31.31 H new ATOM 0 HB2 GLU A 417 -21.234 -0.749 3.558 1.00 51.44 H new ATOM 0 HB3 GLU A 417 -19.727 -1.621 3.757 1.00 51.44 H new ATOM 0 HG2 GLU A 417 -19.382 -1.490 1.278 1.00 54.41 H new ATOM 0 HG3 GLU A 417 -20.829 -0.508 1.165 1.00 54.41 H new ATOM 253 N GLN A 418 -19.540 -4.394 3.178 1.00 52.01 N ATOM 254 CA GLN A 418 -18.494 -5.366 2.845 1.00 1.31 C ATOM 255 C GLN A 418 -19.040 -6.528 2.033 1.00 12.22 C ATOM 256 O GLN A 418 -18.514 -6.862 0.975 1.00 2.13 O ATOM 257 CB GLN A 418 -17.861 -5.919 4.114 1.00 3.13 C ATOM 258 CG GLN A 418 -17.423 -4.859 5.075 1.00 75.23 C ATOM 259 CD GLN A 418 -16.698 -5.408 6.278 1.00 11.32 C ATOM 260 OE1 GLN A 418 -16.954 -6.527 6.722 1.00 41.03 O ATOM 261 NE2 GLN A 418 -15.777 -4.644 6.799 1.00 61.10 N ATOM 0 H GLN A 418 -19.624 -4.213 4.178 1.00 52.01 H new ATOM 0 HA GLN A 418 -17.749 -4.839 2.249 1.00 1.31 H new ATOM 0 HB2 GLN A 418 -18.576 -6.575 4.611 1.00 3.13 H new ATOM 0 HB3 GLN A 418 -17.000 -6.531 3.844 1.00 3.13 H new ATOM 0 HG2 GLN A 418 -16.772 -4.155 4.557 1.00 75.23 H new ATOM 0 HG3 GLN A 418 -18.296 -4.299 5.410 1.00 75.23 H new ATOM 0 HE21 GLN A 418 -15.594 -3.722 6.402 1.00 61.10 H new ATOM 0 HE22 GLN A 418 -15.240 -4.969 7.603 1.00 61.10 H new ATOM 270 N SER A 419 -20.104 -7.119 2.524 1.00 53.45 N ATOM 271 CA SER A 419 -20.697 -8.276 1.892 1.00 50.12 C ATOM 272 C SER A 419 -21.506 -7.887 0.649 1.00 40.43 C ATOM 273 O SER A 419 -21.904 -8.747 -0.136 1.00 70.54 O ATOM 274 CB SER A 419 -21.590 -8.987 2.905 1.00 11.33 C ATOM 275 OG SER A 419 -20.859 -9.301 4.088 1.00 21.43 O ATOM 0 H SER A 419 -20.583 -6.813 3.371 1.00 53.45 H new ATOM 0 HA SER A 419 -19.900 -8.943 1.563 1.00 50.12 H new ATOM 0 HB2 SER A 419 -22.441 -8.353 3.155 1.00 11.33 H new ATOM 0 HB3 SER A 419 -21.991 -9.901 2.466 1.00 11.33 H new ATOM 0 HG SER A 419 -21.448 -9.755 4.726 1.00 21.43 H new ATOM 281 N GLY A 420 -21.732 -6.592 0.467 1.00 40.52 N ATOM 282 CA GLY A 420 -22.559 -6.145 -0.626 1.00 42.42 C ATOM 283 C GLY A 420 -23.990 -6.556 -0.402 1.00 34.43 C ATOM 284 O GLY A 420 -24.752 -6.766 -1.345 1.00 4.44 O ATOM 0 H GLY A 420 -21.357 -5.849 1.057 1.00 40.52 H new ATOM 0 HA2 GLY A 420 -22.495 -5.061 -0.719 1.00 42.42 H new ATOM 0 HA3 GLY A 420 -22.195 -6.567 -1.563 1.00 42.42 H new ATOM 288 N ALA A 421 -24.348 -6.630 0.871 1.00 74.55 N ATOM 289 CA ALA A 421 -25.645 -7.086 1.348 1.00 12.44 C ATOM 290 C ALA A 421 -26.801 -6.257 0.804 1.00 51.34 C ATOM 291 O ALA A 421 -27.947 -6.709 0.769 1.00 30.21 O ATOM 292 CB ALA A 421 -25.659 -7.156 2.856 1.00 14.12 C ATOM 0 H ALA A 421 -23.719 -6.364 1.629 1.00 74.55 H new ATOM 0 HA ALA A 421 -25.798 -8.093 0.959 1.00 12.44 H new ATOM 0 HB1 ALA A 421 -26.637 -7.499 3.195 1.00 14.12 H new ATOM 0 HB2 ALA A 421 -24.892 -7.853 3.195 1.00 14.12 H new ATOM 0 HB3 ALA A 421 -25.458 -6.167 3.268 1.00 14.12 H new ATOM 535 N MET A 437 -13.522 12.956 -12.004 1.00 12.33 N ATOM 536 CA MET A 437 -12.385 13.570 -11.321 1.00 13.21 C ATOM 537 C MET A 437 -11.095 12.787 -11.600 1.00 60.22 C ATOM 538 O MET A 437 -10.846 11.752 -10.979 1.00 30.02 O ATOM 539 CB MET A 437 -12.639 13.684 -9.818 1.00 14.24 C ATOM 540 CG MET A 437 -13.836 14.538 -9.465 1.00 22.22 C ATOM 541 SD MET A 437 -14.140 14.665 -7.692 1.00 50.43 S ATOM 542 CE MET A 437 -15.658 15.625 -7.717 1.00 44.00 C ATOM 0 HA MET A 437 -12.263 14.579 -11.715 1.00 13.21 H new ATOM 0 HB2 MET A 437 -12.783 12.685 -9.406 1.00 14.24 H new ATOM 0 HB3 MET A 437 -11.753 14.101 -9.340 1.00 14.24 H new ATOM 0 HG2 MET A 437 -13.690 15.539 -9.872 1.00 22.22 H new ATOM 0 HG3 MET A 437 -14.721 14.124 -9.948 1.00 22.22 H new ATOM 0 HE1 MET A 437 -15.995 15.800 -6.695 1.00 44.00 H new ATOM 0 HE2 MET A 437 -15.476 16.581 -8.208 1.00 44.00 H new ATOM 0 HE3 MET A 437 -16.426 15.077 -8.263 1.00 44.00 H new ATOM 552 N PRO A 438 -10.252 13.280 -12.535 1.00 11.44 N ATOM 553 CA PRO A 438 -9.026 12.581 -12.970 1.00 74.13 C ATOM 554 C PRO A 438 -8.089 12.192 -11.822 1.00 34.03 C ATOM 555 O PRO A 438 -7.537 11.084 -11.817 1.00 41.30 O ATOM 556 CB PRO A 438 -8.335 13.597 -13.882 1.00 2.51 C ATOM 557 CG PRO A 438 -9.428 14.474 -14.367 1.00 41.12 C ATOM 558 CD PRO A 438 -10.425 14.558 -13.251 1.00 23.54 C ATOM 0 HA PRO A 438 -9.276 11.635 -13.450 1.00 74.13 H new ATOM 0 HB2 PRO A 438 -7.581 14.167 -13.339 1.00 2.51 H new ATOM 0 HB3 PRO A 438 -7.826 13.104 -14.710 1.00 2.51 H new ATOM 0 HG2 PRO A 438 -9.048 15.463 -14.625 1.00 41.12 H new ATOM 0 HG3 PRO A 438 -9.885 14.064 -15.267 1.00 41.12 H new ATOM 0 HD2 PRO A 438 -10.229 15.411 -12.602 1.00 23.54 H new ATOM 0 HD3 PRO A 438 -11.441 14.672 -13.629 1.00 23.54 H new ATOM 566 N GLN A 439 -7.923 13.088 -10.849 1.00 61.22 N ATOM 567 CA GLN A 439 -6.996 12.849 -9.748 1.00 2.30 C ATOM 568 C GLN A 439 -7.373 11.621 -8.915 1.00 3.12 C ATOM 569 O GLN A 439 -6.526 10.766 -8.665 1.00 64.25 O ATOM 570 CB GLN A 439 -6.835 14.096 -8.853 1.00 25.30 C ATOM 571 CG GLN A 439 -8.120 14.585 -8.205 1.00 1.32 C ATOM 572 CD GLN A 439 -7.915 15.825 -7.370 1.00 34.15 C ATOM 573 OE1 GLN A 439 -8.024 16.943 -7.860 1.00 43.24 O ATOM 574 NE2 GLN A 439 -7.607 15.641 -6.116 1.00 61.20 N ATOM 0 H GLN A 439 -8.416 13.980 -10.802 1.00 61.22 H new ATOM 0 HA GLN A 439 -6.030 12.638 -10.207 1.00 2.30 H new ATOM 0 HB2 GLN A 439 -6.111 13.872 -8.069 1.00 25.30 H new ATOM 0 HB3 GLN A 439 -6.416 14.904 -9.452 1.00 25.30 H new ATOM 0 HG2 GLN A 439 -8.857 14.792 -8.981 1.00 1.32 H new ATOM 0 HG3 GLN A 439 -8.530 13.793 -7.578 1.00 1.32 H new ATOM 0 HE21 GLN A 439 -7.525 14.695 -5.744 1.00 61.20 H new ATOM 0 HE22 GLN A 439 -7.448 16.444 -5.507 1.00 61.20 H new ATOM 583 N VAL A 440 -8.637 11.506 -8.534 1.00 52.21 N ATOM 584 CA VAL A 440 -9.071 10.378 -7.728 1.00 30.01 C ATOM 585 C VAL A 440 -9.197 9.119 -8.586 1.00 71.33 C ATOM 586 O VAL A 440 -8.889 8.022 -8.136 1.00 55.10 O ATOM 587 CB VAL A 440 -10.379 10.672 -6.919 1.00 24.40 C ATOM 588 CG1 VAL A 440 -11.551 10.973 -7.825 1.00 13.21 C ATOM 589 CG2 VAL A 440 -10.708 9.533 -5.957 1.00 64.11 C ATOM 0 H VAL A 440 -9.372 12.173 -8.768 1.00 52.21 H new ATOM 0 HA VAL A 440 -8.298 10.202 -6.980 1.00 30.01 H new ATOM 0 HB VAL A 440 -10.190 11.567 -6.327 1.00 24.40 H new ATOM 0 HG11 VAL A 440 -12.436 11.171 -7.221 1.00 13.21 H new ATOM 0 HG12 VAL A 440 -11.325 11.848 -8.434 1.00 13.21 H new ATOM 0 HG13 VAL A 440 -11.738 10.118 -8.474 1.00 13.21 H new ATOM 0 HG21 VAL A 440 -11.622 9.770 -5.412 1.00 64.11 H new ATOM 0 HG22 VAL A 440 -10.850 8.611 -6.520 1.00 64.11 H new ATOM 0 HG23 VAL A 440 -9.887 9.404 -5.251 1.00 64.11 H new ATOM 599 N LEU A 441 -9.590 9.312 -9.851 1.00 22.23 N ATOM 600 CA LEU A 441 -9.751 8.227 -10.826 1.00 41.03 C ATOM 601 C LEU A 441 -8.476 7.376 -10.941 1.00 74.24 C ATOM 602 O LEU A 441 -8.537 6.182 -11.222 1.00 44.42 O ATOM 603 CB LEU A 441 -10.147 8.797 -12.196 1.00 23.13 C ATOM 604 CG LEU A 441 -10.386 7.782 -13.323 1.00 41.50 C ATOM 605 CD1 LEU A 441 -11.505 6.815 -12.956 1.00 73.31 C ATOM 606 CD2 LEU A 441 -10.702 8.501 -14.624 1.00 73.04 C ATOM 0 H LEU A 441 -9.807 10.234 -10.230 1.00 22.23 H new ATOM 0 HA LEU A 441 -10.549 7.575 -10.472 1.00 41.03 H new ATOM 0 HB2 LEU A 441 -11.056 9.385 -12.070 1.00 23.13 H new ATOM 0 HB3 LEU A 441 -9.364 9.484 -12.518 1.00 23.13 H new ATOM 0 HG LEU A 441 -9.473 7.202 -13.461 1.00 41.50 H new ATOM 0 HD11 LEU A 441 -11.655 6.106 -13.770 1.00 73.31 H new ATOM 0 HD12 LEU A 441 -11.235 6.274 -12.049 1.00 73.31 H new ATOM 0 HD13 LEU A 441 -12.426 7.372 -12.786 1.00 73.31 H new ATOM 0 HD21 LEU A 441 -10.869 7.768 -15.413 1.00 73.04 H new ATOM 0 HD22 LEU A 441 -11.599 9.107 -14.496 1.00 73.04 H new ATOM 0 HD23 LEU A 441 -9.865 9.144 -14.897 1.00 73.04 H new ATOM 618 N HIS A 442 -7.329 8.007 -10.718 1.00 54.22 N ATOM 619 CA HIS A 442 -6.029 7.323 -10.769 1.00 44.22 C ATOM 620 C HIS A 442 -5.949 6.114 -9.839 1.00 32.14 C ATOM 621 O HIS A 442 -5.205 5.170 -10.123 1.00 43.23 O ATOM 622 CB HIS A 442 -4.856 8.273 -10.485 1.00 34.42 C ATOM 623 CG HIS A 442 -4.642 9.319 -11.530 1.00 2.33 C ATOM 624 ND1 HIS A 442 -4.542 10.657 -11.246 1.00 34.21 N ATOM 625 CD2 HIS A 442 -4.476 9.209 -12.869 1.00 43.34 C ATOM 626 CE1 HIS A 442 -4.330 11.325 -12.360 1.00 41.12 C ATOM 627 NE2 HIS A 442 -4.285 10.468 -13.357 1.00 35.31 N ATOM 0 H HIS A 442 -7.267 9.001 -10.498 1.00 54.22 H new ATOM 0 HA HIS A 442 -5.944 6.961 -11.794 1.00 44.22 H new ATOM 0 HB2 HIS A 442 -5.026 8.764 -9.527 1.00 34.42 H new ATOM 0 HB3 HIS A 442 -3.944 7.685 -10.385 1.00 34.42 H new ATOM 0 HD2 HIS A 442 -4.492 8.295 -13.444 1.00 43.34 H new ATOM 0 HE1 HIS A 442 -4.213 12.396 -12.442 1.00 41.12 H new ATOM 0 HE2 HIS A 442 -4.132 10.707 -14.337 1.00 35.31 H new ATOM 636 N TYR A 443 -6.732 6.115 -8.742 1.00 62.03 N ATOM 637 CA TYR A 443 -6.663 5.031 -7.772 1.00 11.13 C ATOM 638 C TYR A 443 -7.083 3.708 -8.425 1.00 52.12 C ATOM 639 O TYR A 443 -6.676 2.644 -7.987 1.00 25.52 O ATOM 640 CB TYR A 443 -7.489 5.309 -6.494 1.00 62.15 C ATOM 641 CG TYR A 443 -8.887 4.736 -6.490 1.00 34.33 C ATOM 642 CD1 TYR A 443 -9.950 5.409 -7.055 1.00 12.33 C ATOM 643 CD2 TYR A 443 -9.124 3.498 -5.900 1.00 5.40 C ATOM 644 CE1 TYR A 443 -11.218 4.875 -7.040 1.00 2.23 C ATOM 645 CE2 TYR A 443 -10.390 2.953 -5.882 1.00 10.12 C ATOM 646 CZ TYR A 443 -11.436 3.646 -6.452 1.00 13.14 C ATOM 647 OH TYR A 443 -12.705 3.111 -6.428 1.00 23.33 O ATOM 0 H TYR A 443 -7.406 6.847 -8.517 1.00 62.03 H new ATOM 0 HA TYR A 443 -5.625 4.956 -7.449 1.00 11.13 H new ATOM 0 HB2 TYR A 443 -6.948 4.908 -5.637 1.00 62.15 H new ATOM 0 HB3 TYR A 443 -7.556 6.388 -6.352 1.00 62.15 H new ATOM 0 HD1 TYR A 443 -9.784 6.371 -7.517 1.00 12.33 H new ATOM 0 HD2 TYR A 443 -8.305 2.957 -5.450 1.00 5.40 H new ATOM 0 HE1 TYR A 443 -12.039 5.416 -7.487 1.00 2.23 H new ATOM 0 HE2 TYR A 443 -10.561 1.990 -5.424 1.00 10.12 H new ATOM 0 HH TYR A 443 -12.685 2.241 -5.978 1.00 23.33 H new ATOM 657 N ALA A 444 -7.920 3.801 -9.471 1.00 3.34 N ATOM 658 CA ALA A 444 -8.421 2.637 -10.208 1.00 60.40 C ATOM 659 C ALA A 444 -7.275 1.773 -10.725 1.00 31.14 C ATOM 660 O ALA A 444 -7.378 0.550 -10.765 1.00 21.15 O ATOM 661 CB ALA A 444 -9.312 3.073 -11.363 1.00 43.14 C ATOM 0 H ALA A 444 -8.268 4.691 -9.828 1.00 3.34 H new ATOM 0 HA ALA A 444 -9.012 2.038 -9.515 1.00 60.40 H new ATOM 0 HB1 ALA A 444 -9.673 2.193 -11.896 1.00 43.14 H new ATOM 0 HB2 ALA A 444 -10.161 3.636 -10.975 1.00 43.14 H new ATOM 0 HB3 ALA A 444 -8.741 3.702 -12.046 1.00 43.14 H new ATOM 667 N GLN A 445 -6.174 2.412 -11.092 1.00 72.44 N ATOM 668 CA GLN A 445 -5.012 1.688 -11.583 1.00 32.21 C ATOM 669 C GLN A 445 -4.291 1.002 -10.436 1.00 44.15 C ATOM 670 O GLN A 445 -3.710 -0.064 -10.603 1.00 11.24 O ATOM 671 CB GLN A 445 -4.066 2.615 -12.320 1.00 44.30 C ATOM 672 CG GLN A 445 -4.689 3.291 -13.519 1.00 51.14 C ATOM 673 CD GLN A 445 -3.693 4.121 -14.280 1.00 22.05 C ATOM 674 OE1 GLN A 445 -3.512 5.315 -14.010 1.00 31.00 O ATOM 675 NE2 GLN A 445 -3.028 3.512 -15.219 1.00 44.03 N ATOM 0 H GLN A 445 -6.061 3.425 -11.059 1.00 72.44 H new ATOM 0 HA GLN A 445 -5.359 0.928 -12.284 1.00 32.21 H new ATOM 0 HB2 GLN A 445 -3.708 3.378 -11.629 1.00 44.30 H new ATOM 0 HB3 GLN A 445 -3.195 2.046 -12.646 1.00 44.30 H new ATOM 0 HG2 GLN A 445 -5.112 2.536 -14.181 1.00 51.14 H new ATOM 0 HG3 GLN A 445 -5.513 3.925 -13.190 1.00 51.14 H new ATOM 0 HE21 GLN A 445 -3.205 2.526 -15.412 1.00 44.03 H new ATOM 0 HE22 GLN A 445 -2.330 4.021 -15.761 1.00 44.03 H new ATOM 684 N TYR A 446 -4.348 1.622 -9.284 1.00 64.41 N ATOM 685 CA TYR A 446 -3.731 1.117 -8.078 1.00 71.34 C ATOM 686 C TYR A 446 -4.519 -0.046 -7.479 1.00 32.32 C ATOM 687 O TYR A 446 -3.959 -1.103 -7.171 1.00 13.20 O ATOM 688 CB TYR A 446 -3.564 2.254 -7.071 1.00 34.20 C ATOM 689 CG TYR A 446 -2.503 3.268 -7.467 1.00 31.21 C ATOM 690 CD1 TYR A 446 -1.154 2.956 -7.380 1.00 45.44 C ATOM 691 CD2 TYR A 446 -2.847 4.533 -7.921 1.00 51.33 C ATOM 692 CE1 TYR A 446 -0.185 3.877 -7.734 1.00 50.33 C ATOM 693 CE2 TYR A 446 -1.888 5.455 -8.276 1.00 2.44 C ATOM 694 CZ TYR A 446 -0.561 5.125 -8.182 1.00 32.40 C ATOM 695 OH TYR A 446 0.398 6.052 -8.531 1.00 20.24 O ATOM 0 H TYR A 446 -4.834 2.509 -9.153 1.00 64.41 H new ATOM 0 HA TYR A 446 -2.747 0.725 -8.334 1.00 71.34 H new ATOM 0 HB2 TYR A 446 -4.519 2.767 -6.953 1.00 34.20 H new ATOM 0 HB3 TYR A 446 -3.307 1.832 -6.099 1.00 34.20 H new ATOM 0 HD1 TYR A 446 -0.856 1.979 -7.030 1.00 45.44 H new ATOM 0 HD2 TYR A 446 -3.891 4.801 -7.998 1.00 51.33 H new ATOM 0 HE1 TYR A 446 0.861 3.620 -7.660 1.00 50.33 H new ATOM 0 HE2 TYR A 446 -2.180 6.434 -8.627 1.00 2.44 H new ATOM 0 HH TYR A 446 -0.038 6.878 -8.826 1.00 20.24 H new ATOM 705 N VAL A 447 -5.823 0.149 -7.339 1.00 1.15 N ATOM 706 CA VAL A 447 -6.716 -0.862 -6.778 1.00 72.51 C ATOM 707 C VAL A 447 -6.740 -2.106 -7.670 1.00 60.53 C ATOM 708 O VAL A 447 -6.943 -3.215 -7.194 1.00 64.11 O ATOM 709 CB VAL A 447 -8.162 -0.317 -6.529 1.00 61.22 C ATOM 710 CG1 VAL A 447 -8.866 0.038 -7.822 1.00 23.35 C ATOM 711 CG2 VAL A 447 -8.995 -1.285 -5.694 1.00 75.35 C ATOM 0 H VAL A 447 -6.294 1.012 -7.610 1.00 1.15 H new ATOM 0 HA VAL A 447 -6.319 -1.137 -5.801 1.00 72.51 H new ATOM 0 HB VAL A 447 -8.055 0.604 -5.956 1.00 61.22 H new ATOM 0 HG11 VAL A 447 -9.866 0.412 -7.601 1.00 23.35 H new ATOM 0 HG12 VAL A 447 -8.299 0.807 -8.346 1.00 23.35 H new ATOM 0 HG13 VAL A 447 -8.941 -0.849 -8.451 1.00 23.35 H new ATOM 0 HG21 VAL A 447 -9.992 -0.871 -5.543 1.00 75.35 H new ATOM 0 HG22 VAL A 447 -9.074 -2.240 -6.214 1.00 75.35 H new ATOM 0 HG23 VAL A 447 -8.515 -1.437 -4.727 1.00 75.35 H new ATOM 721 N LEU A 448 -6.502 -1.892 -8.966 1.00 22.12 N ATOM 722 CA LEU A 448 -6.488 -2.921 -9.981 1.00 31.52 C ATOM 723 C LEU A 448 -5.582 -4.116 -9.604 1.00 40.45 C ATOM 724 O LEU A 448 -5.876 -5.254 -9.978 1.00 31.45 O ATOM 725 CB LEU A 448 -6.010 -2.299 -11.292 1.00 5.54 C ATOM 726 CG LEU A 448 -5.858 -3.236 -12.467 1.00 42.24 C ATOM 727 CD1 LEU A 448 -7.196 -3.831 -12.881 1.00 71.33 C ATOM 728 CD2 LEU A 448 -5.172 -2.547 -13.629 1.00 44.11 C ATOM 0 H LEU A 448 -6.308 -0.963 -9.339 1.00 22.12 H new ATOM 0 HA LEU A 448 -7.499 -3.315 -10.081 1.00 31.52 H new ATOM 0 HB2 LEU A 448 -6.711 -1.512 -11.572 1.00 5.54 H new ATOM 0 HB3 LEU A 448 -5.048 -1.820 -11.111 1.00 5.54 H new ATOM 0 HG LEU A 448 -5.221 -4.062 -12.152 1.00 42.24 H new ATOM 0 HD11 LEU A 448 -7.050 -4.500 -13.729 1.00 71.33 H new ATOM 0 HD12 LEU A 448 -7.620 -4.390 -12.046 1.00 71.33 H new ATOM 0 HD13 LEU A 448 -7.878 -3.030 -13.165 1.00 71.33 H new ATOM 0 HD21 LEU A 448 -5.076 -3.245 -14.461 1.00 44.11 H new ATOM 0 HD22 LEU A 448 -5.764 -1.687 -13.943 1.00 44.11 H new ATOM 0 HD23 LEU A 448 -4.182 -2.212 -13.320 1.00 44.11 H new ATOM 740 N LEU A 449 -4.509 -3.866 -8.867 1.00 52.11 N ATOM 741 CA LEU A 449 -3.620 -4.951 -8.453 1.00 1.33 C ATOM 742 C LEU A 449 -4.289 -5.817 -7.380 1.00 11.43 C ATOM 743 O LEU A 449 -4.308 -7.057 -7.479 1.00 74.32 O ATOM 744 CB LEU A 449 -2.235 -4.447 -7.965 1.00 71.04 C ATOM 745 CG LEU A 449 -1.285 -3.804 -9.012 1.00 61.22 C ATOM 746 CD1 LEU A 449 -1.831 -2.502 -9.575 1.00 54.20 C ATOM 747 CD2 LEU A 449 0.096 -3.589 -8.415 1.00 4.03 C ATOM 0 H LEU A 449 -4.233 -2.938 -8.546 1.00 52.11 H new ATOM 0 HA LEU A 449 -3.436 -5.558 -9.339 1.00 1.33 H new ATOM 0 HB2 LEU A 449 -2.405 -3.716 -7.174 1.00 71.04 H new ATOM 0 HB3 LEU A 449 -1.713 -5.290 -7.513 1.00 71.04 H new ATOM 0 HG LEU A 449 -1.211 -4.503 -9.845 1.00 61.22 H new ATOM 0 HD11 LEU A 449 -1.127 -2.096 -10.302 1.00 54.20 H new ATOM 0 HD12 LEU A 449 -2.788 -2.689 -10.062 1.00 54.20 H new ATOM 0 HD13 LEU A 449 -1.970 -1.786 -8.765 1.00 54.20 H new ATOM 0 HD21 LEU A 449 0.749 -3.138 -9.162 1.00 4.03 H new ATOM 0 HD22 LEU A 449 0.020 -2.927 -7.552 1.00 4.03 H new ATOM 0 HD23 LEU A 449 0.510 -4.547 -8.102 1.00 4.03 H new ATOM 759 N GLY A 450 -4.871 -5.162 -6.380 1.00 40.20 N ATOM 760 CA GLY A 450 -5.536 -5.872 -5.297 1.00 24.02 C ATOM 761 C GLY A 450 -6.828 -6.508 -5.756 1.00 54.51 C ATOM 762 O GLY A 450 -7.174 -7.623 -5.344 1.00 34.24 O ATOM 0 H GLY A 450 -4.895 -4.146 -6.299 1.00 40.20 H new ATOM 0 HA2 GLY A 450 -4.871 -6.641 -4.904 1.00 24.02 H new ATOM 0 HA3 GLY A 450 -5.741 -5.180 -4.480 1.00 24.02 H new ATOM 766 N LEU A 451 -7.538 -5.800 -6.615 1.00 44.21 N ATOM 767 CA LEU A 451 -8.774 -6.279 -7.197 1.00 3.53 C ATOM 768 C LEU A 451 -8.480 -7.458 -8.107 1.00 14.32 C ATOM 769 O LEU A 451 -9.252 -8.409 -8.185 1.00 41.44 O ATOM 770 CB LEU A 451 -9.448 -5.153 -7.994 1.00 55.14 C ATOM 771 CG LEU A 451 -10.770 -5.497 -8.683 1.00 2.45 C ATOM 772 CD1 LEU A 451 -11.829 -5.886 -7.665 1.00 23.31 C ATOM 773 CD2 LEU A 451 -11.240 -4.336 -9.539 1.00 40.11 C ATOM 0 H LEU A 451 -7.269 -4.868 -6.930 1.00 44.21 H new ATOM 0 HA LEU A 451 -9.449 -6.598 -6.403 1.00 3.53 H new ATOM 0 HB2 LEU A 451 -9.624 -4.316 -7.319 1.00 55.14 H new ATOM 0 HB3 LEU A 451 -8.748 -4.807 -8.754 1.00 55.14 H new ATOM 0 HG LEU A 451 -10.603 -6.356 -9.333 1.00 2.45 H new ATOM 0 HD11 LEU A 451 -12.759 -6.126 -8.181 1.00 23.31 H new ATOM 0 HD12 LEU A 451 -11.491 -6.757 -7.103 1.00 23.31 H new ATOM 0 HD13 LEU A 451 -11.998 -5.055 -6.980 1.00 23.31 H new ATOM 0 HD21 LEU A 451 -12.182 -4.598 -10.022 1.00 40.11 H new ATOM 0 HD22 LEU A 451 -11.386 -3.457 -8.911 1.00 40.11 H new ATOM 0 HD23 LEU A 451 -10.490 -4.118 -10.300 1.00 40.11 H new ATOM 785 N GLY A 452 -7.343 -7.380 -8.783 1.00 51.12 N ATOM 786 CA GLY A 452 -6.915 -8.439 -9.653 1.00 33.30 C ATOM 787 C GLY A 452 -6.660 -9.700 -8.892 1.00 63.23 C ATOM 788 O GLY A 452 -7.140 -10.751 -9.271 1.00 64.31 O ATOM 0 H GLY A 452 -6.705 -6.586 -8.738 1.00 51.12 H new ATOM 0 HA2 GLY A 452 -7.676 -8.618 -10.412 1.00 33.30 H new ATOM 0 HA3 GLY A 452 -6.007 -8.138 -10.176 1.00 33.30 H new ATOM 792 N GLY A 453 -5.933 -9.585 -7.789 1.00 13.42 N ATOM 793 CA GLY A 453 -5.643 -10.743 -6.964 1.00 24.34 C ATOM 794 C GLY A 453 -6.908 -11.360 -6.420 1.00 73.34 C ATOM 795 O GLY A 453 -7.070 -12.579 -6.426 1.00 62.14 O ATOM 0 H GLY A 453 -5.537 -8.708 -7.449 1.00 13.42 H new ATOM 0 HA2 GLY A 453 -5.098 -11.483 -7.551 1.00 24.34 H new ATOM 0 HA3 GLY A 453 -4.994 -10.451 -6.138 1.00 24.34 H new ATOM 799 N LEU A 454 -7.824 -10.500 -5.993 1.00 54.41 N ATOM 800 CA LEU A 454 -9.112 -10.911 -5.451 1.00 32.21 C ATOM 801 C LEU A 454 -9.915 -11.715 -6.486 1.00 24.01 C ATOM 802 O LEU A 454 -10.638 -12.642 -6.133 1.00 71.00 O ATOM 803 CB LEU A 454 -9.899 -9.668 -4.999 1.00 43.14 C ATOM 804 CG LEU A 454 -11.282 -9.902 -4.379 1.00 44.05 C ATOM 805 CD1 LEU A 454 -11.187 -10.757 -3.122 1.00 53.22 C ATOM 806 CD2 LEU A 454 -11.951 -8.575 -4.071 1.00 35.11 C ATOM 0 H LEU A 454 -7.692 -9.489 -6.014 1.00 54.41 H new ATOM 0 HA LEU A 454 -8.941 -11.559 -4.591 1.00 32.21 H new ATOM 0 HB2 LEU A 454 -9.290 -9.128 -4.274 1.00 43.14 H new ATOM 0 HB3 LEU A 454 -10.022 -9.014 -5.862 1.00 43.14 H new ATOM 0 HG LEU A 454 -11.890 -10.443 -5.104 1.00 44.05 H new ATOM 0 HD11 LEU A 454 -12.184 -10.905 -2.706 1.00 53.22 H new ATOM 0 HD12 LEU A 454 -10.751 -11.724 -3.372 1.00 53.22 H new ATOM 0 HD13 LEU A 454 -10.558 -10.255 -2.387 1.00 53.22 H new ATOM 0 HD21 LEU A 454 -12.932 -8.755 -3.631 1.00 35.11 H new ATOM 0 HD22 LEU A 454 -11.336 -8.012 -3.368 1.00 35.11 H new ATOM 0 HD23 LEU A 454 -12.066 -8.003 -4.992 1.00 35.11 H new ATOM 818 N LEU A 455 -9.744 -11.371 -7.756 1.00 52.01 N ATOM 819 CA LEU A 455 -10.448 -12.025 -8.858 1.00 2.21 C ATOM 820 C LEU A 455 -10.051 -13.509 -8.944 1.00 74.41 C ATOM 821 O LEU A 455 -10.886 -14.366 -9.216 1.00 63.31 O ATOM 822 CB LEU A 455 -10.174 -11.239 -10.190 1.00 34.51 C ATOM 823 CG LEU A 455 -10.909 -11.658 -11.505 1.00 33.11 C ATOM 824 CD1 LEU A 455 -10.421 -12.990 -12.066 1.00 13.24 C ATOM 825 CD2 LEU A 455 -12.420 -11.688 -11.293 1.00 54.22 C ATOM 0 H LEU A 455 -9.112 -10.628 -8.055 1.00 52.01 H new ATOM 0 HA LEU A 455 -11.523 -12.005 -8.681 1.00 2.21 H new ATOM 0 HB2 LEU A 455 -10.412 -10.192 -10.004 1.00 34.51 H new ATOM 0 HB3 LEU A 455 -9.103 -11.293 -10.385 1.00 34.51 H new ATOM 0 HG LEU A 455 -10.666 -10.899 -12.249 1.00 33.11 H new ATOM 0 HD11 LEU A 455 -10.970 -13.224 -12.978 1.00 13.24 H new ATOM 0 HD12 LEU A 455 -9.357 -12.922 -12.291 1.00 13.24 H new ATOM 0 HD13 LEU A 455 -10.587 -13.777 -11.331 1.00 13.24 H new ATOM 0 HD21 LEU A 455 -12.912 -11.982 -12.220 1.00 54.22 H new ATOM 0 HD22 LEU A 455 -12.663 -12.406 -10.510 1.00 54.22 H new ATOM 0 HD23 LEU A 455 -12.766 -10.697 -10.997 1.00 54.22 H new ATOM 837 N LEU A 456 -8.792 -13.810 -8.658 1.00 73.20 N ATOM 838 CA LEU A 456 -8.313 -15.185 -8.722 1.00 63.54 C ATOM 839 C LEU A 456 -8.712 -15.958 -7.486 1.00 34.05 C ATOM 840 O LEU A 456 -8.821 -17.187 -7.514 1.00 71.13 O ATOM 841 CB LEU A 456 -6.785 -15.296 -8.972 1.00 14.12 C ATOM 842 CG LEU A 456 -6.248 -14.882 -10.366 1.00 4.31 C ATOM 843 CD1 LEU A 456 -6.956 -15.638 -11.478 1.00 1.03 C ATOM 844 CD2 LEU A 456 -6.319 -13.389 -10.596 1.00 52.44 C ATOM 0 H LEU A 456 -8.087 -13.126 -8.381 1.00 73.20 H new ATOM 0 HA LEU A 456 -8.798 -15.632 -9.590 1.00 63.54 H new ATOM 0 HB2 LEU A 456 -6.278 -14.687 -8.224 1.00 14.12 H new ATOM 0 HB3 LEU A 456 -6.491 -16.330 -8.794 1.00 14.12 H new ATOM 0 HG LEU A 456 -5.193 -15.155 -10.385 1.00 4.31 H new ATOM 0 HD11 LEU A 456 -6.556 -15.325 -12.443 1.00 1.03 H new ATOM 0 HD12 LEU A 456 -6.796 -16.708 -11.349 1.00 1.03 H new ATOM 0 HD13 LEU A 456 -8.024 -15.424 -11.441 1.00 1.03 H new ATOM 0 HD21 LEU A 456 -5.930 -13.155 -11.587 1.00 52.44 H new ATOM 0 HD22 LEU A 456 -7.355 -13.059 -10.525 1.00 52.44 H new ATOM 0 HD23 LEU A 456 -5.722 -12.876 -9.842 1.00 52.44 H new ATOM 856 N LEU A 457 -8.934 -15.240 -6.405 1.00 53.04 N ATOM 857 CA LEU A 457 -9.312 -15.855 -5.147 1.00 54.03 C ATOM 858 C LEU A 457 -10.744 -16.383 -5.224 1.00 33.43 C ATOM 859 O LEU A 457 -11.050 -17.443 -4.682 1.00 42.51 O ATOM 860 CB LEU A 457 -9.195 -14.846 -3.993 1.00 64.51 C ATOM 861 CG LEU A 457 -7.856 -14.108 -3.860 1.00 62.50 C ATOM 862 CD1 LEU A 457 -7.835 -13.230 -2.624 1.00 43.32 C ATOM 863 CD2 LEU A 457 -6.679 -15.067 -3.877 1.00 51.35 C ATOM 0 H LEU A 457 -8.859 -14.223 -6.371 1.00 53.04 H new ATOM 0 HA LEU A 457 -8.633 -16.686 -4.958 1.00 54.03 H new ATOM 0 HB2 LEU A 457 -9.984 -14.103 -4.109 1.00 64.51 H new ATOM 0 HB3 LEU A 457 -9.388 -15.373 -3.059 1.00 64.51 H new ATOM 0 HG LEU A 457 -7.755 -13.460 -4.731 1.00 62.50 H new ATOM 0 HD11 LEU A 457 -6.874 -12.720 -2.556 1.00 43.32 H new ATOM 0 HD12 LEU A 457 -8.634 -12.492 -2.689 1.00 43.32 H new ATOM 0 HD13 LEU A 457 -7.982 -13.847 -1.737 1.00 43.32 H new ATOM 0 HD21 LEU A 457 -5.750 -14.505 -3.781 1.00 51.35 H new ATOM 0 HD22 LEU A 457 -6.768 -15.767 -3.046 1.00 51.35 H new ATOM 0 HD23 LEU A 457 -6.673 -15.619 -4.817 1.00 51.35 H new ATOM 875 N VAL A 458 -11.603 -15.643 -5.934 1.00 10.40 N ATOM 876 CA VAL A 458 -13.037 -15.970 -6.075 1.00 5.21 C ATOM 877 C VAL A 458 -13.312 -17.457 -6.486 1.00 34.32 C ATOM 878 O VAL A 458 -14.080 -18.148 -5.791 1.00 64.34 O ATOM 879 CB VAL A 458 -13.784 -14.970 -7.027 1.00 23.21 C ATOM 880 CG1 VAL A 458 -15.250 -15.331 -7.173 1.00 11.15 C ATOM 881 CG2 VAL A 458 -13.655 -13.550 -6.504 1.00 42.15 C ATOM 0 H VAL A 458 -11.328 -14.796 -6.431 1.00 10.40 H new ATOM 0 HA VAL A 458 -13.450 -15.853 -5.073 1.00 5.21 H new ATOM 0 HB VAL A 458 -13.317 -15.039 -8.010 1.00 23.21 H new ATOM 0 HG11 VAL A 458 -15.736 -14.618 -7.839 1.00 11.15 H new ATOM 0 HG12 VAL A 458 -15.338 -16.334 -7.590 1.00 11.15 H new ATOM 0 HG13 VAL A 458 -15.731 -15.301 -6.195 1.00 11.15 H new ATOM 0 HG21 VAL A 458 -14.177 -12.867 -7.174 1.00 42.15 H new ATOM 0 HG22 VAL A 458 -14.093 -13.488 -5.508 1.00 42.15 H new ATOM 0 HG23 VAL A 458 -12.601 -13.275 -6.455 1.00 42.15 H new ATOM 891 N PRO A 459 -12.699 -17.987 -7.595 1.00 53.21 N ATOM 892 CA PRO A 459 -12.903 -19.389 -8.014 1.00 2.22 C ATOM 893 C PRO A 459 -12.345 -20.393 -6.998 1.00 1.20 C ATOM 894 O PRO A 459 -12.817 -21.533 -6.904 1.00 24.33 O ATOM 895 CB PRO A 459 -12.124 -19.491 -9.334 1.00 53.41 C ATOM 896 CG PRO A 459 -11.954 -18.088 -9.786 1.00 22.21 C ATOM 897 CD PRO A 459 -11.809 -17.287 -8.538 1.00 72.11 C ATOM 0 HA PRO A 459 -13.963 -19.628 -8.105 1.00 2.22 H new ATOM 0 HB2 PRO A 459 -11.160 -19.978 -9.187 1.00 53.41 H new ATOM 0 HB3 PRO A 459 -12.670 -20.080 -10.071 1.00 53.41 H new ATOM 0 HG2 PRO A 459 -11.076 -17.984 -10.424 1.00 22.21 H new ATOM 0 HG3 PRO A 459 -12.813 -17.756 -10.369 1.00 22.21 H new ATOM 0 HD2 PRO A 459 -10.778 -17.271 -8.185 1.00 72.11 H new ATOM 0 HD3 PRO A 459 -12.111 -16.250 -8.686 1.00 72.11 H new ATOM 905 N ILE A 460 -11.365 -19.969 -6.220 1.00 12.11 N ATOM 906 CA ILE A 460 -10.771 -20.854 -5.236 1.00 71.02 C ATOM 907 C ILE A 460 -11.687 -20.948 -4.017 1.00 63.22 C ATOM 908 O ILE A 460 -11.762 -21.986 -3.359 1.00 72.22 O ATOM 909 CB ILE A 460 -9.354 -20.394 -4.800 1.00 52.15 C ATOM 910 CG1 ILE A 460 -8.457 -20.198 -6.031 1.00 43.44 C ATOM 911 CG2 ILE A 460 -8.739 -21.448 -3.869 1.00 50.21 C ATOM 912 CD1 ILE A 460 -7.065 -19.694 -5.710 1.00 53.25 C ATOM 0 H ILE A 460 -10.968 -19.030 -6.249 1.00 12.11 H new ATOM 0 HA ILE A 460 -10.659 -21.834 -5.700 1.00 71.02 H new ATOM 0 HB ILE A 460 -9.434 -19.444 -4.271 1.00 52.15 H new ATOM 0 HG12 ILE A 460 -8.375 -21.147 -6.562 1.00 43.44 H new ATOM 0 HG13 ILE A 460 -8.939 -19.494 -6.710 1.00 43.44 H new ATOM 0 HG21 ILE A 460 -7.744 -21.126 -3.562 1.00 50.21 H new ATOM 0 HG22 ILE A 460 -9.370 -21.567 -2.988 1.00 50.21 H new ATOM 0 HG23 ILE A 460 -8.666 -22.400 -4.395 1.00 50.21 H new ATOM 0 HD11 ILE A 460 -6.496 -19.583 -6.633 1.00 53.25 H new ATOM 0 HD12 ILE A 460 -7.134 -18.729 -5.208 1.00 53.25 H new ATOM 0 HD13 ILE A 460 -6.561 -20.407 -5.058 1.00 53.25 H new ATOM 924 N ILE A 461 -12.413 -19.869 -3.743 1.00 55.22 N ATOM 925 CA ILE A 461 -13.363 -19.841 -2.641 1.00 25.22 C ATOM 926 C ILE A 461 -14.392 -20.960 -2.810 1.00 74.35 C ATOM 927 O ILE A 461 -14.648 -21.717 -1.884 1.00 53.00 O ATOM 928 CB ILE A 461 -14.087 -18.463 -2.519 1.00 73.41 C ATOM 929 CG1 ILE A 461 -13.066 -17.339 -2.269 1.00 13.01 C ATOM 930 CG2 ILE A 461 -15.123 -18.497 -1.397 1.00 71.33 C ATOM 931 CD1 ILE A 461 -13.676 -15.951 -2.161 1.00 74.42 C ATOM 0 H ILE A 461 -12.360 -18.999 -4.273 1.00 55.22 H new ATOM 0 HA ILE A 461 -12.799 -19.995 -1.721 1.00 25.22 H new ATOM 0 HB ILE A 461 -14.602 -18.263 -3.459 1.00 73.41 H new ATOM 0 HG12 ILE A 461 -12.522 -17.556 -1.350 1.00 13.01 H new ATOM 0 HG13 ILE A 461 -12.337 -17.340 -3.079 1.00 13.01 H new ATOM 0 HG21 ILE A 461 -15.617 -17.528 -1.328 1.00 71.33 H new ATOM 0 HG22 ILE A 461 -15.864 -19.267 -1.609 1.00 71.33 H new ATOM 0 HG23 ILE A 461 -14.628 -18.720 -0.452 1.00 71.33 H new ATOM 0 HD11 ILE A 461 -12.887 -15.220 -1.985 1.00 74.42 H new ATOM 0 HD12 ILE A 461 -14.195 -15.709 -3.088 1.00 74.42 H new ATOM 0 HD13 ILE A 461 -14.384 -15.928 -1.332 1.00 74.42 H new ATOM 943 N CYS A 462 -14.922 -21.100 -4.017 1.00 21.33 N ATOM 944 CA CYS A 462 -15.910 -22.135 -4.290 1.00 1.22 C ATOM 945 C CYS A 462 -15.281 -23.533 -4.343 1.00 44.31 C ATOM 946 O CYS A 462 -15.975 -24.536 -4.257 1.00 64.55 O ATOM 947 CB CYS A 462 -16.714 -21.823 -5.558 1.00 62.20 C ATOM 948 SG CYS A 462 -15.726 -21.562 -7.051 1.00 12.44 S ATOM 0 H CYS A 462 -14.687 -20.514 -4.818 1.00 21.33 H new ATOM 0 HA CYS A 462 -16.610 -22.138 -3.454 1.00 1.22 H new ATOM 0 HB2 CYS A 462 -17.408 -22.643 -5.740 1.00 62.20 H new ATOM 0 HB3 CYS A 462 -17.314 -20.931 -5.378 1.00 62.20 H new ATOM 0 HG CYS A 462 -14.466 -21.713 -6.769 1.00 12.44 H new ATOM 954 N GLN A 463 -13.963 -23.590 -4.442 1.00 51.24 N ATOM 955 CA GLN A 463 -13.243 -24.856 -4.472 1.00 71.42 C ATOM 956 C GLN A 463 -13.222 -25.364 -3.039 1.00 43.42 C ATOM 957 O GLN A 463 -13.536 -26.524 -2.751 1.00 52.02 O ATOM 958 CB GLN A 463 -11.801 -24.584 -5.017 1.00 44.01 C ATOM 959 CG GLN A 463 -10.855 -25.787 -5.255 1.00 52.40 C ATOM 960 CD GLN A 463 -10.446 -26.555 -4.004 1.00 30.05 C ATOM 961 OE1 GLN A 463 -11.088 -27.529 -3.611 1.00 42.10 O ATOM 962 NE2 GLN A 463 -9.380 -26.129 -3.380 1.00 52.32 N ATOM 0 H GLN A 463 -13.364 -22.767 -4.504 1.00 51.24 H new ATOM 0 HA GLN A 463 -13.706 -25.601 -5.119 1.00 71.42 H new ATOM 0 HB2 GLN A 463 -11.900 -24.050 -5.962 1.00 44.01 H new ATOM 0 HB3 GLN A 463 -11.306 -23.908 -4.320 1.00 44.01 H new ATOM 0 HG2 GLN A 463 -11.341 -26.479 -5.943 1.00 52.40 H new ATOM 0 HG3 GLN A 463 -9.953 -25.426 -5.750 1.00 52.40 H new ATOM 0 HE21 GLN A 463 -8.872 -25.318 -3.734 1.00 52.32 H new ATOM 0 HE22 GLN A 463 -9.056 -26.607 -2.539 1.00 52.32 H new ATOM 971 N LEU A 464 -12.938 -24.441 -2.149 1.00 50.45 N ATOM 972 CA LEU A 464 -12.821 -24.694 -0.727 1.00 15.11 C ATOM 973 C LEU A 464 -14.070 -25.296 -0.120 1.00 0.53 C ATOM 974 O LEU A 464 -13.969 -26.079 0.777 1.00 11.21 O ATOM 975 CB LEU A 464 -12.437 -23.419 -0.008 1.00 23.43 C ATOM 976 CG LEU A 464 -11.090 -22.847 -0.395 1.00 2.24 C ATOM 977 CD1 LEU A 464 -10.923 -21.456 0.167 1.00 73.54 C ATOM 978 CD2 LEU A 464 -9.974 -23.744 0.103 1.00 72.20 C ATOM 0 H LEU A 464 -12.777 -23.465 -2.399 1.00 50.45 H new ATOM 0 HA LEU A 464 -12.036 -25.440 -0.600 1.00 15.11 H new ATOM 0 HB2 LEU A 464 -13.203 -22.667 -0.199 1.00 23.43 H new ATOM 0 HB3 LEU A 464 -12.439 -23.610 1.065 1.00 23.43 H new ATOM 0 HG LEU A 464 -11.041 -22.792 -1.483 1.00 2.24 H new ATOM 0 HD11 LEU A 464 -9.949 -21.061 -0.122 1.00 73.54 H new ATOM 0 HD12 LEU A 464 -11.707 -20.809 -0.225 1.00 73.54 H new ATOM 0 HD13 LEU A 464 -10.992 -21.492 1.254 1.00 73.54 H new ATOM 0 HD21 LEU A 464 -9.011 -23.320 -0.183 1.00 72.20 H new ATOM 0 HD22 LEU A 464 -10.028 -23.823 1.189 1.00 72.20 H new ATOM 0 HD23 LEU A 464 -10.079 -24.735 -0.339 1.00 72.20 H new ATOM 990 N ARG A 465 -15.239 -24.975 -0.645 1.00 14.33 N ATOM 991 CA ARG A 465 -16.492 -25.530 -0.087 1.00 3.15 C ATOM 992 C ARG A 465 -16.563 -27.052 -0.225 1.00 41.24 C ATOM 993 O ARG A 465 -17.270 -27.719 0.516 1.00 30.42 O ATOM 994 CB ARG A 465 -17.750 -24.846 -0.663 1.00 5.24 C ATOM 995 CG ARG A 465 -18.104 -23.485 -0.034 1.00 20.13 C ATOM 996 CD ARG A 465 -16.949 -22.518 -0.081 1.00 52.42 C ATOM 997 NE ARG A 465 -17.268 -21.197 0.462 1.00 12.13 N ATOM 998 CZ ARG A 465 -16.625 -20.627 1.491 1.00 41.34 C ATOM 999 NH1 ARG A 465 -15.833 -21.357 2.278 1.00 71.12 N ATOM 1000 NH2 ARG A 465 -16.831 -19.345 1.780 1.00 43.41 N ATOM 0 H ARG A 465 -15.363 -24.348 -1.440 1.00 14.33 H new ATOM 0 HA ARG A 465 -16.473 -25.306 0.980 1.00 3.15 H new ATOM 0 HB2 ARG A 465 -17.610 -24.707 -1.735 1.00 5.24 H new ATOM 0 HB3 ARG A 465 -18.599 -25.518 -0.537 1.00 5.24 H new ATOM 0 HG2 ARG A 465 -18.957 -23.055 -0.559 1.00 20.13 H new ATOM 0 HG3 ARG A 465 -18.409 -23.634 1.002 1.00 20.13 H new ATOM 0 HD2 ARG A 465 -16.112 -22.938 0.476 1.00 52.42 H new ATOM 0 HD3 ARG A 465 -16.621 -22.407 -1.114 1.00 52.42 H new ATOM 0 HE ARG A 465 -18.030 -20.675 0.029 1.00 12.13 H new ATOM 0 HH11 ARG A 465 -15.714 -22.354 2.098 1.00 71.12 H new ATOM 0 HH12 ARG A 465 -15.346 -20.918 3.060 1.00 71.12 H new ATOM 0 HH21 ARG A 465 -17.479 -18.793 1.218 1.00 43.41 H new ATOM 0 HH22 ARG A 465 -16.341 -18.914 2.563 1.00 43.41 H new ATOM 1014 N SER A 466 -15.815 -27.591 -1.159 1.00 64.43 N ATOM 1015 CA SER A 466 -15.714 -29.017 -1.298 1.00 63.01 C ATOM 1016 C SER A 466 -14.565 -29.544 -0.424 1.00 33.43 C ATOM 1017 O SER A 466 -14.612 -30.666 0.079 1.00 1.11 O ATOM 1018 CB SER A 466 -15.487 -29.374 -2.757 1.00 65.13 C ATOM 1019 OG SER A 466 -16.578 -28.931 -3.562 1.00 70.44 O ATOM 0 H SER A 466 -15.267 -27.058 -1.834 1.00 64.43 H new ATOM 0 HA SER A 466 -16.642 -29.483 -0.967 1.00 63.01 H new ATOM 0 HB2 SER A 466 -14.561 -28.918 -3.108 1.00 65.13 H new ATOM 0 HB3 SER A 466 -15.369 -30.453 -2.858 1.00 65.13 H new ATOM 0 HG SER A 466 -16.412 -29.169 -4.498 1.00 70.44 H new ATOM 1025 N GLN A 467 -13.566 -28.699 -0.212 1.00 51.25 N ATOM 1026 CA GLN A 467 -12.363 -29.071 0.510 1.00 25.41 C ATOM 1027 C GLN A 467 -12.554 -28.956 2.038 1.00 12.43 C ATOM 1028 O GLN A 467 -11.872 -29.634 2.820 1.00 1.42 O ATOM 1029 CB GLN A 467 -11.170 -28.238 0.000 1.00 10.52 C ATOM 1030 CG GLN A 467 -9.828 -28.616 0.606 1.00 55.23 C ATOM 1031 CD GLN A 467 -8.673 -27.889 -0.043 1.00 13.41 C ATOM 1032 OE1 GLN A 467 -8.811 -26.766 -0.527 1.00 11.04 O ATOM 1033 NE2 GLN A 467 -7.532 -28.521 -0.071 1.00 1.40 N ATOM 0 H GLN A 467 -13.570 -27.733 -0.538 1.00 51.25 H new ATOM 0 HA GLN A 467 -12.147 -30.122 0.315 1.00 25.41 H new ATOM 0 HB2 GLN A 467 -11.107 -28.343 -1.083 1.00 10.52 H new ATOM 0 HB3 GLN A 467 -11.364 -27.186 0.207 1.00 10.52 H new ATOM 0 HG2 GLN A 467 -9.839 -28.393 1.673 1.00 55.23 H new ATOM 0 HG3 GLN A 467 -9.678 -29.691 0.506 1.00 55.23 H new ATOM 0 HE21 GLN A 467 -7.454 -29.451 0.340 1.00 1.40 H new ATOM 0 HE22 GLN A 467 -6.718 -28.085 -0.504 1.00 1.40 H new ATOM 1042 N GLU A 468 -13.499 -28.116 2.454 1.00 5.24 N ATOM 1043 CA GLU A 468 -13.836 -27.952 3.871 1.00 13.54 C ATOM 1044 C GLU A 468 -14.494 -29.218 4.393 1.00 41.55 C ATOM 1045 O GLU A 468 -14.447 -29.519 5.593 1.00 53.13 O ATOM 1046 CB GLU A 468 -14.780 -26.752 4.084 1.00 73.14 C ATOM 1047 CG GLU A 468 -14.193 -25.405 3.696 1.00 24.53 C ATOM 1048 CD GLU A 468 -15.156 -24.260 3.914 1.00 74.34 C ATOM 1049 OE1 GLU A 468 -16.038 -24.028 3.049 1.00 42.41 O ATOM 1050 OE2 GLU A 468 -15.033 -23.560 4.945 1.00 60.14 O ATOM 0 H GLU A 468 -14.051 -27.532 1.825 1.00 5.24 H new ATOM 0 HA GLU A 468 -12.913 -27.763 4.420 1.00 13.54 H new ATOM 0 HB2 GLU A 468 -15.690 -26.916 3.507 1.00 73.14 H new ATOM 0 HB3 GLU A 468 -15.070 -26.718 5.134 1.00 73.14 H new ATOM 0 HG2 GLU A 468 -13.288 -25.228 4.277 1.00 24.53 H new ATOM 0 HG3 GLU A 468 -13.899 -25.431 2.647 1.00 24.53 H new