USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 418 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 404 SER OG : rot -32:sc= 1.25 USER MOD Single : A 405 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0833) USER MOD Single : A 418 GLN : amide:sc= -0.524 K(o=-0.52,f=-1.9) 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 K(o=0,f=-0.52) USER MOD Single : A 442 HIS : no HD1:sc= -0.763 K(o=-0.76,f=0.13) USER MOD Single : A 443 TYR OH : rot 180:sc= 0 USER MOD Single : A 445 GLN : amide:sc= -1.16 K(o=-1.2,f=-0.41) USER MOD Single : A 446 TYR OH : rot 180:sc= 0 USER MOD Single : A 462 CYS SG : rot 63:sc= 1.27 USER MOD Single : A 463 GLN : amide:sc= -0.223 K(o=-0.22,f=-1.1) USER MOD Single : A 466 SER OG : rot 180:sc= 0 USER MOD Single : A 467 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 10 N SER A 404 -31.532 27.903 0.667 1.00 71.05 N ATOM 11 CA SER A 404 -30.999 29.029 1.439 1.00 54.21 C ATOM 12 C SER A 404 -31.246 28.974 2.949 1.00 70.20 C ATOM 13 O SER A 404 -30.541 29.619 3.698 1.00 32.42 O ATOM 14 CB SER A 404 -31.355 30.381 0.814 1.00 65.41 C ATOM 15 OG SER A 404 -30.771 30.463 -0.478 1.00 22.41 O ATOM 0 HA SER A 404 -29.917 28.917 1.366 1.00 54.21 H new ATOM 0 HB2 SER A 404 -32.437 30.490 0.745 1.00 65.41 H new ATOM 0 HB3 SER A 404 -30.992 31.194 1.443 1.00 65.41 H new ATOM 0 HG SER A 404 -29.927 29.966 -0.488 1.00 22.41 H new ATOM 21 N LYS A 405 -32.229 28.223 3.397 1.00 2.45 N ATOM 22 CA LYS A 405 -32.431 28.054 4.835 1.00 12.21 C ATOM 23 C LYS A 405 -31.448 27.026 5.394 1.00 3.14 C ATOM 24 O LYS A 405 -31.069 27.076 6.557 1.00 54.40 O ATOM 25 CB LYS A 405 -33.901 27.703 5.219 1.00 63.11 C ATOM 26 CG LYS A 405 -34.931 28.816 5.014 1.00 62.23 C ATOM 27 CD LYS A 405 -35.121 29.177 3.565 1.00 74.12 C ATOM 28 CE LYS A 405 -36.087 30.325 3.397 1.00 40.03 C ATOM 29 NZ LYS A 405 -37.446 30.017 3.885 1.00 30.22 N ATOM 0 H LYS A 405 -32.894 27.725 2.806 1.00 2.45 H new ATOM 0 HA LYS A 405 -32.231 29.022 5.295 1.00 12.21 H new ATOM 0 HB2 LYS A 405 -34.211 26.836 4.636 1.00 63.11 H new ATOM 0 HB3 LYS A 405 -33.921 27.405 6.267 1.00 63.11 H new ATOM 0 HG2 LYS A 405 -35.887 28.502 5.433 1.00 62.23 H new ATOM 0 HG3 LYS A 405 -34.616 29.702 5.566 1.00 62.23 H new ATOM 0 HD2 LYS A 405 -34.159 29.444 3.127 1.00 74.12 H new ATOM 0 HD3 LYS A 405 -35.490 28.309 3.019 1.00 74.12 H new ATOM 0 HE2 LYS A 405 -35.704 31.195 3.931 1.00 40.03 H new ATOM 0 HE3 LYS A 405 -36.139 30.596 2.343 1.00 40.03 H new ATOM 0 HZ1 LYS A 405 -38.096 30.780 3.606 1.00 30.22 H new ATOM 0 HZ2 LYS A 405 -37.768 29.119 3.471 1.00 30.22 H new ATOM 0 HZ3 LYS A 405 -37.432 29.935 4.922 1.00 30.22 H new ATOM 43 N ILE A 406 -31.022 26.104 4.545 1.00 42.52 N ATOM 44 CA ILE A 406 -30.092 25.055 4.957 1.00 61.30 C ATOM 45 C ILE A 406 -28.636 25.533 4.833 1.00 15.23 C ATOM 46 O ILE A 406 -27.747 25.044 5.521 1.00 1.52 O ATOM 47 CB ILE A 406 -30.304 23.738 4.127 1.00 51.01 C ATOM 48 CG1 ILE A 406 -29.366 22.615 4.625 1.00 32.44 C ATOM 49 CG2 ILE A 406 -30.101 23.993 2.627 1.00 11.23 C ATOM 50 CD1 ILE A 406 -29.523 21.294 3.900 1.00 15.33 C ATOM 0 H ILE A 406 -31.303 26.058 3.566 1.00 42.52 H new ATOM 0 HA ILE A 406 -30.298 24.831 6.004 1.00 61.30 H new ATOM 0 HB ILE A 406 -31.333 23.411 4.276 1.00 51.01 H new ATOM 0 HG12 ILE A 406 -28.334 22.950 4.523 1.00 32.44 H new ATOM 0 HG13 ILE A 406 -29.545 22.455 5.688 1.00 32.44 H new ATOM 0 HG21 ILE A 406 -30.254 23.065 2.076 1.00 11.23 H new ATOM 0 HG22 ILE A 406 -30.817 24.740 2.285 1.00 11.23 H new ATOM 0 HG23 ILE A 406 -29.088 24.355 2.453 1.00 11.23 H new ATOM 0 HD11 ILE A 406 -28.826 20.566 4.315 1.00 15.33 H new ATOM 0 HD12 ILE A 406 -30.543 20.931 4.023 1.00 15.33 H new ATOM 0 HD13 ILE A 406 -29.313 21.434 2.840 1.00 15.33 H new ATOM 62 N GLU A 407 -28.418 26.534 4.007 1.00 22.35 N ATOM 63 CA GLU A 407 -27.066 27.017 3.718 1.00 33.15 C ATOM 64 C GLU A 407 -26.334 27.575 4.967 1.00 51.32 C ATOM 65 O GLU A 407 -25.180 27.213 5.211 1.00 23.33 O ATOM 66 CB GLU A 407 -27.057 28.001 2.550 1.00 73.44 C ATOM 67 CG GLU A 407 -27.575 27.395 1.259 1.00 61.31 C ATOM 68 CD GLU A 407 -27.502 28.343 0.095 1.00 41.31 C ATOM 69 OE1 GLU A 407 -28.468 29.093 -0.143 1.00 50.11 O ATOM 70 OE2 GLU A 407 -26.488 28.351 -0.612 1.00 25.52 O ATOM 0 H GLU A 407 -29.157 27.037 3.517 1.00 22.35 H new ATOM 0 HA GLU A 407 -26.489 26.145 3.411 1.00 33.15 H new ATOM 0 HB2 GLU A 407 -27.666 28.868 2.808 1.00 73.44 H new ATOM 0 HB3 GLU A 407 -26.040 28.361 2.393 1.00 73.44 H new ATOM 0 HG2 GLU A 407 -26.999 26.499 1.028 1.00 61.31 H new ATOM 0 HG3 GLU A 407 -28.609 27.081 1.401 1.00 61.31 H new ATOM 77 N PRO A 408 -26.987 28.442 5.803 1.00 1.42 N ATOM 78 CA PRO A 408 -26.375 28.948 7.037 1.00 13.12 C ATOM 79 C PRO A 408 -26.196 27.842 8.082 1.00 23.32 C ATOM 80 O PRO A 408 -25.590 28.052 9.121 1.00 73.03 O ATOM 81 CB PRO A 408 -27.383 29.985 7.543 1.00 50.11 C ATOM 82 CG PRO A 408 -28.672 29.563 6.944 1.00 4.15 C ATOM 83 CD PRO A 408 -28.328 29.025 5.604 1.00 23.21 C ATOM 0 HA PRO A 408 -25.379 29.353 6.859 1.00 13.12 H new ATOM 0 HB2 PRO A 408 -27.434 29.993 8.632 1.00 50.11 H new ATOM 0 HB3 PRO A 408 -27.109 30.992 7.229 1.00 50.11 H new ATOM 0 HG2 PRO A 408 -29.161 28.806 7.557 1.00 4.15 H new ATOM 0 HG3 PRO A 408 -29.362 30.403 6.865 1.00 4.15 H new ATOM 0 HD2 PRO A 408 -29.047 28.275 5.275 1.00 23.21 H new ATOM 0 HD3 PRO A 408 -28.317 29.809 4.847 1.00 23.21 H new ATOM 91 N VAL A 409 -26.742 26.677 7.796 1.00 3.31 N ATOM 92 CA VAL A 409 -26.629 25.526 8.668 1.00 25.14 C ATOM 93 C VAL A 409 -25.403 24.702 8.261 1.00 44.23 C ATOM 94 O VAL A 409 -24.722 24.119 9.104 1.00 12.22 O ATOM 95 CB VAL A 409 -27.914 24.644 8.591 1.00 53.42 C ATOM 96 CG1 VAL A 409 -27.825 23.429 9.505 1.00 31.21 C ATOM 97 CG2 VAL A 409 -29.147 25.468 8.929 1.00 60.32 C ATOM 0 H VAL A 409 -27.280 26.502 6.947 1.00 3.31 H new ATOM 0 HA VAL A 409 -26.515 25.872 9.696 1.00 25.14 H new ATOM 0 HB VAL A 409 -27.998 24.281 7.567 1.00 53.42 H new ATOM 0 HG11 VAL A 409 -28.740 22.842 9.421 1.00 31.21 H new ATOM 0 HG12 VAL A 409 -26.973 22.816 9.213 1.00 31.21 H new ATOM 0 HG13 VAL A 409 -27.699 23.758 10.536 1.00 31.21 H new ATOM 0 HG21 VAL A 409 -30.034 24.837 8.870 1.00 60.32 H new ATOM 0 HG22 VAL A 409 -29.052 25.867 9.939 1.00 60.32 H new ATOM 0 HG23 VAL A 409 -29.240 26.291 8.221 1.00 60.32 H new ATOM 107 N VAL A 410 -25.113 24.698 6.969 1.00 31.30 N ATOM 108 CA VAL A 410 -23.985 23.951 6.420 1.00 61.13 C ATOM 109 C VAL A 410 -22.653 24.596 6.819 1.00 34.02 C ATOM 110 O VAL A 410 -21.701 23.899 7.170 1.00 61.34 O ATOM 111 CB VAL A 410 -24.075 23.844 4.867 1.00 22.11 C ATOM 112 CG1 VAL A 410 -22.890 23.068 4.295 1.00 71.33 C ATOM 113 CG2 VAL A 410 -25.382 23.185 4.453 1.00 24.10 C ATOM 0 H VAL A 410 -25.650 25.211 6.270 1.00 31.30 H new ATOM 0 HA VAL A 410 -24.030 22.946 6.839 1.00 61.13 H new ATOM 0 HB VAL A 410 -24.045 24.856 4.462 1.00 22.11 H new ATOM 0 HG11 VAL A 410 -22.982 23.011 3.210 1.00 71.33 H new ATOM 0 HG12 VAL A 410 -21.962 23.578 4.554 1.00 71.33 H new ATOM 0 HG13 VAL A 410 -22.879 22.061 4.712 1.00 71.33 H new ATOM 0 HG21 VAL A 410 -25.428 23.119 3.366 1.00 24.10 H new ATOM 0 HG22 VAL A 410 -25.436 22.184 4.880 1.00 24.10 H new ATOM 0 HG23 VAL A 410 -26.220 23.780 4.816 1.00 24.10 H new ATOM 123 N LEU A 411 -22.612 25.929 6.794 1.00 3.53 N ATOM 124 CA LEU A 411 -21.389 26.687 7.120 1.00 52.23 C ATOM 125 C LEU A 411 -20.713 26.279 8.442 1.00 24.33 C ATOM 126 O LEU A 411 -19.539 25.909 8.428 1.00 52.34 O ATOM 127 CB LEU A 411 -21.610 28.192 7.078 1.00 4.31 C ATOM 128 CG LEU A 411 -21.921 28.796 5.714 1.00 53.35 C ATOM 129 CD1 LEU A 411 -22.083 30.284 5.840 1.00 44.41 C ATOM 130 CD2 LEU A 411 -20.826 28.466 4.704 1.00 63.14 C ATOM 0 H LEU A 411 -23.412 26.514 6.551 1.00 3.53 H new ATOM 0 HA LEU A 411 -20.693 26.414 6.327 1.00 52.23 H new ATOM 0 HB2 LEU A 411 -22.430 28.435 7.754 1.00 4.31 H new ATOM 0 HB3 LEU A 411 -20.718 28.679 7.471 1.00 4.31 H new ATOM 0 HG LEU A 411 -22.853 28.363 5.351 1.00 53.35 H new ATOM 0 HD11 LEU A 411 -22.305 30.710 4.862 1.00 44.41 H new ATOM 0 HD12 LEU A 411 -22.901 30.504 6.526 1.00 44.41 H new ATOM 0 HD13 LEU A 411 -21.160 30.719 6.224 1.00 44.41 H new ATOM 0 HD21 LEU A 411 -21.075 28.910 3.740 1.00 63.14 H new ATOM 0 HD22 LEU A 411 -19.875 28.868 5.054 1.00 63.14 H new ATOM 0 HD23 LEU A 411 -20.745 27.384 4.596 1.00 63.14 H new ATOM 142 N PRO A 412 -21.414 26.333 9.611 1.00 50.13 N ATOM 143 CA PRO A 412 -20.802 25.952 10.875 1.00 32.32 C ATOM 144 C PRO A 412 -20.414 24.465 10.906 1.00 51.03 C ATOM 145 O PRO A 412 -19.455 24.080 11.573 1.00 45.31 O ATOM 146 CB PRO A 412 -21.869 26.259 11.928 1.00 10.24 C ATOM 147 CG PRO A 412 -23.144 26.301 11.174 1.00 34.23 C ATOM 148 CD PRO A 412 -22.804 26.792 9.803 1.00 51.00 C ATOM 0 HA PRO A 412 -19.872 26.494 11.047 1.00 32.32 H new ATOM 0 HB2 PRO A 412 -21.893 25.492 12.702 1.00 10.24 H new ATOM 0 HB3 PRO A 412 -21.672 27.209 12.425 1.00 10.24 H new ATOM 0 HG2 PRO A 412 -23.603 25.313 11.131 1.00 34.23 H new ATOM 0 HG3 PRO A 412 -23.861 26.964 11.658 1.00 34.23 H new ATOM 0 HD2 PRO A 412 -23.473 26.375 9.050 1.00 51.00 H new ATOM 0 HD3 PRO A 412 -22.882 27.877 9.734 1.00 51.00 H new ATOM 156 N LEU A 413 -21.145 23.645 10.151 1.00 22.02 N ATOM 157 CA LEU A 413 -20.864 22.227 10.079 1.00 33.40 C ATOM 158 C LEU A 413 -19.535 21.968 9.412 1.00 30.12 C ATOM 159 O LEU A 413 -18.807 21.052 9.806 1.00 13.55 O ATOM 160 CB LEU A 413 -21.968 21.474 9.356 1.00 35.02 C ATOM 161 CG LEU A 413 -23.326 21.472 10.040 1.00 25.04 C ATOM 162 CD1 LEU A 413 -24.302 20.678 9.225 1.00 20.34 C ATOM 163 CD2 LEU A 413 -23.227 20.901 11.453 1.00 75.25 C ATOM 0 H LEU A 413 -21.936 23.947 9.583 1.00 22.02 H new ATOM 0 HA LEU A 413 -20.816 21.858 11.104 1.00 33.40 H new ATOM 0 HB2 LEU A 413 -22.084 21.904 8.361 1.00 35.02 H new ATOM 0 HB3 LEU A 413 -21.649 20.441 9.221 1.00 35.02 H new ATOM 0 HG LEU A 413 -23.676 22.501 10.118 1.00 25.04 H new ATOM 0 HD11 LEU A 413 -25.274 20.679 9.719 1.00 20.34 H new ATOM 0 HD12 LEU A 413 -24.397 21.124 8.235 1.00 20.34 H new ATOM 0 HD13 LEU A 413 -23.945 19.653 9.128 1.00 20.34 H new ATOM 0 HD21 LEU A 413 -24.212 20.911 11.919 1.00 75.25 H new ATOM 0 HD22 LEU A 413 -22.858 19.876 11.406 1.00 75.25 H new ATOM 0 HD23 LEU A 413 -22.540 21.507 12.043 1.00 75.25 H new ATOM 175 N LEU A 414 -19.205 22.805 8.423 1.00 50.21 N ATOM 176 CA LEU A 414 -17.955 22.697 7.663 1.00 44.11 C ATOM 177 C LEU A 414 -16.760 22.793 8.565 1.00 73.42 C ATOM 178 O LEU A 414 -15.746 22.143 8.332 1.00 45.44 O ATOM 179 CB LEU A 414 -17.854 23.805 6.620 1.00 40.02 C ATOM 180 CG LEU A 414 -18.961 23.858 5.591 1.00 5.24 C ATOM 181 CD1 LEU A 414 -18.756 25.037 4.659 1.00 13.20 C ATOM 182 CD2 LEU A 414 -19.037 22.559 4.806 1.00 44.12 C ATOM 0 H LEU A 414 -19.799 23.579 8.126 1.00 50.21 H new ATOM 0 HA LEU A 414 -17.967 21.724 7.173 1.00 44.11 H new ATOM 0 HB2 LEU A 414 -17.824 24.763 7.140 1.00 40.02 H new ATOM 0 HB3 LEU A 414 -16.904 23.696 6.096 1.00 40.02 H new ATOM 0 HG LEU A 414 -19.909 23.989 6.114 1.00 5.24 H new ATOM 0 HD11 LEU A 414 -19.560 25.063 3.923 1.00 13.20 H new ATOM 0 HD12 LEU A 414 -18.762 25.962 5.236 1.00 13.20 H new ATOM 0 HD13 LEU A 414 -17.799 24.934 4.147 1.00 13.20 H new ATOM 0 HD21 LEU A 414 -19.841 22.623 4.073 1.00 44.12 H new ATOM 0 HD22 LEU A 414 -18.091 22.388 4.293 1.00 44.12 H new ATOM 0 HD23 LEU A 414 -19.234 21.732 5.489 1.00 44.12 H new ATOM 194 N TRP A 415 -16.885 23.593 9.606 1.00 24.32 N ATOM 195 CA TRP A 415 -15.783 23.797 10.537 1.00 34.03 C ATOM 196 C TRP A 415 -15.393 22.484 11.204 1.00 14.40 C ATOM 197 O TRP A 415 -14.214 22.193 11.390 1.00 53.43 O ATOM 198 CB TRP A 415 -16.118 24.858 11.593 1.00 1.34 C ATOM 199 CG TRP A 415 -16.576 26.178 11.025 1.00 21.14 C ATOM 200 CD1 TRP A 415 -17.616 26.925 11.475 1.00 1.02 C ATOM 201 CD2 TRP A 415 -16.037 26.889 9.890 1.00 73.02 C ATOM 202 NE1 TRP A 415 -17.760 28.051 10.715 1.00 2.54 N ATOM 203 CE2 TRP A 415 -16.810 28.055 9.735 1.00 52.13 C ATOM 204 CE3 TRP A 415 -14.982 26.658 8.994 1.00 62.12 C ATOM 205 CZ2 TRP A 415 -16.566 28.982 8.728 1.00 50.54 C ATOM 206 CZ3 TRP A 415 -14.745 27.579 7.997 1.00 14.23 C ATOM 207 CH2 TRP A 415 -15.534 28.727 7.872 1.00 54.34 C ATOM 0 H TRP A 415 -17.734 24.112 9.831 1.00 24.32 H new ATOM 0 HA TRP A 415 -14.933 24.164 9.961 1.00 34.03 H new ATOM 0 HB2 TRP A 415 -16.897 24.468 12.248 1.00 1.34 H new ATOM 0 HB3 TRP A 415 -15.237 25.028 12.212 1.00 1.34 H new ATOM 0 HD1 TRP A 415 -18.242 26.666 12.316 1.00 1.02 H new ATOM 0 HE1 TRP A 415 -18.465 28.774 10.857 1.00 2.54 H new ATOM 0 HE3 TRP A 415 -14.367 25.775 9.084 1.00 62.12 H new ATOM 0 HZ2 TRP A 415 -17.171 29.871 8.627 1.00 50.54 H new ATOM 0 HZ3 TRP A 415 -13.937 27.412 7.301 1.00 14.23 H new ATOM 0 HH2 TRP A 415 -15.322 29.429 7.079 1.00 54.34 H new ATOM 218 N PHE A 416 -16.376 21.673 11.515 1.00 62.21 N ATOM 219 CA PHE A 416 -16.120 20.396 12.157 1.00 43.31 C ATOM 220 C PHE A 416 -15.539 19.413 11.161 1.00 5.23 C ATOM 221 O PHE A 416 -14.782 18.512 11.528 1.00 61.43 O ATOM 222 CB PHE A 416 -17.382 19.810 12.777 1.00 34.44 C ATOM 223 CG PHE A 416 -18.053 20.695 13.777 1.00 42.23 C ATOM 224 CD1 PHE A 416 -17.526 20.859 15.041 1.00 34.01 C ATOM 225 CD2 PHE A 416 -19.222 21.351 13.451 1.00 14.21 C ATOM 226 CE1 PHE A 416 -18.156 21.666 15.963 1.00 21.42 C ATOM 227 CE2 PHE A 416 -19.857 22.161 14.365 1.00 11.00 C ATOM 228 CZ PHE A 416 -19.325 22.317 15.623 1.00 52.12 C ATOM 0 H PHE A 416 -17.361 21.870 11.336 1.00 62.21 H new ATOM 0 HA PHE A 416 -15.402 20.574 12.957 1.00 43.31 H new ATOM 0 HB2 PHE A 416 -18.090 19.582 11.980 1.00 34.44 H new ATOM 0 HB3 PHE A 416 -17.129 18.866 13.259 1.00 34.44 H new ATOM 0 HD1 PHE A 416 -16.612 20.351 15.310 1.00 34.01 H new ATOM 0 HD2 PHE A 416 -19.645 21.227 12.465 1.00 14.21 H new ATOM 0 HE1 PHE A 416 -17.736 21.789 16.950 1.00 21.42 H new ATOM 0 HE2 PHE A 416 -20.769 22.672 14.095 1.00 11.00 H new ATOM 0 HZ PHE A 416 -19.821 22.949 16.345 1.00 52.12 H new ATOM 238 N GLU A 417 -15.882 19.610 9.906 1.00 31.54 N ATOM 239 CA GLU A 417 -15.468 18.733 8.834 1.00 31.23 C ATOM 240 C GLU A 417 -14.023 19.010 8.475 1.00 54.31 C ATOM 241 O GLU A 417 -13.209 18.099 8.339 1.00 41.42 O ATOM 242 CB GLU A 417 -16.346 18.971 7.611 1.00 20.22 C ATOM 243 CG GLU A 417 -17.840 18.801 7.860 1.00 62.23 C ATOM 244 CD GLU A 417 -18.240 17.421 8.327 1.00 31.34 C ATOM 245 OE1 GLU A 417 -18.685 16.614 7.486 1.00 34.23 O ATOM 246 OE2 GLU A 417 -18.152 17.132 9.548 1.00 54.32 O ATOM 0 H GLU A 417 -16.462 20.391 9.599 1.00 31.54 H new ATOM 0 HA GLU A 417 -15.568 17.698 9.160 1.00 31.23 H new ATOM 0 HB2 GLU A 417 -16.165 19.980 7.241 1.00 20.22 H new ATOM 0 HB3 GLU A 417 -16.042 18.283 6.822 1.00 20.22 H new ATOM 0 HG2 GLU A 417 -18.157 19.530 8.605 1.00 62.23 H new ATOM 0 HG3 GLU A 417 -18.378 19.031 6.940 1.00 62.23 H new ATOM 253 N GLN A 418 -13.692 20.279 8.362 1.00 53.31 N ATOM 254 CA GLN A 418 -12.354 20.680 7.989 1.00 12.44 C ATOM 255 C GLN A 418 -11.351 20.399 9.110 1.00 44.23 C ATOM 256 O GLN A 418 -10.143 20.344 8.886 1.00 4.40 O ATOM 257 CB GLN A 418 -12.332 22.144 7.458 1.00 32.22 C ATOM 258 CG GLN A 418 -12.722 23.268 8.440 1.00 13.14 C ATOM 259 CD GLN A 418 -11.651 23.611 9.467 1.00 30.32 C ATOM 260 OE1 GLN A 418 -11.617 23.068 10.556 1.00 21.24 O ATOM 261 NE2 GLN A 418 -10.779 24.507 9.117 1.00 51.05 N ATOM 0 H GLN A 418 -14.336 21.053 8.524 1.00 53.31 H new ATOM 0 HA GLN A 418 -12.025 20.063 7.153 1.00 12.44 H new ATOM 0 HB2 GLN A 418 -11.327 22.353 7.091 1.00 32.22 H new ATOM 0 HB3 GLN A 418 -13.003 22.200 6.600 1.00 32.22 H new ATOM 0 HG2 GLN A 418 -12.960 24.165 7.869 1.00 13.14 H new ATOM 0 HG3 GLN A 418 -13.631 22.974 8.966 1.00 13.14 H new ATOM 0 HE21 GLN A 418 -10.837 24.942 8.196 1.00 51.05 H new ATOM 0 HE22 GLN A 418 -10.036 24.775 9.763 1.00 51.05 H new ATOM 270 N SER A 419 -11.879 20.209 10.305 1.00 44.11 N ATOM 271 CA SER A 419 -11.092 19.874 11.466 1.00 1.24 C ATOM 272 C SER A 419 -11.077 18.348 11.648 1.00 24.24 C ATOM 273 O SER A 419 -10.165 17.789 12.263 1.00 62.30 O ATOM 274 CB SER A 419 -11.708 20.569 12.707 1.00 73.34 C ATOM 275 OG SER A 419 -10.984 20.318 13.908 1.00 43.20 O ATOM 0 H SER A 419 -12.879 20.285 10.494 1.00 44.11 H new ATOM 0 HA SER A 419 -10.065 20.217 11.341 1.00 1.24 H new ATOM 0 HB2 SER A 419 -11.746 21.644 12.532 1.00 73.34 H new ATOM 0 HB3 SER A 419 -12.736 20.230 12.833 1.00 73.34 H new ATOM 0 HG SER A 419 -11.418 20.782 14.654 1.00 43.20 H new ATOM 281 N GLY A 420 -12.092 17.680 11.102 1.00 33.11 N ATOM 282 CA GLY A 420 -12.219 16.242 11.242 1.00 14.20 C ATOM 283 C GLY A 420 -12.678 15.860 12.634 1.00 11.32 C ATOM 284 O GLY A 420 -12.534 14.712 13.054 1.00 32.43 O ATOM 0 H GLY A 420 -12.836 18.118 10.559 1.00 33.11 H new ATOM 0 HA2 GLY A 420 -12.930 15.865 10.507 1.00 14.20 H new ATOM 0 HA3 GLY A 420 -11.260 15.768 11.031 1.00 14.20 H new ATOM 288 N ALA A 421 -13.272 16.819 13.324 1.00 40.22 N ATOM 289 CA ALA A 421 -13.676 16.661 14.714 1.00 12.21 C ATOM 290 C ALA A 421 -14.848 15.700 14.859 1.00 13.14 C ATOM 291 O ALA A 421 -14.837 14.819 15.708 1.00 24.04 O ATOM 292 CB ALA A 421 -14.015 18.019 15.311 1.00 53.10 C ATOM 0 H ALA A 421 -13.490 17.736 12.934 1.00 40.22 H new ATOM 0 HA ALA A 421 -12.839 16.228 15.261 1.00 12.21 H new ATOM 0 HB1 ALA A 421 -14.317 17.894 16.351 1.00 53.10 H new ATOM 0 HB2 ALA A 421 -13.140 18.667 15.262 1.00 53.10 H new ATOM 0 HB3 ALA A 421 -14.832 18.470 14.748 1.00 53.10 H new ATOM 535 N MET A 437 -10.782 13.048 -12.701 1.00 63.43 N ATOM 536 CA MET A 437 -9.487 13.347 -13.298 1.00 31.45 C ATOM 537 C MET A 437 -8.894 12.066 -13.864 1.00 53.33 C ATOM 538 O MET A 437 -8.611 11.134 -13.116 1.00 62.22 O ATOM 539 CB MET A 437 -8.530 13.986 -12.281 1.00 51.22 C ATOM 540 CG MET A 437 -9.009 15.313 -11.726 1.00 11.41 C ATOM 541 SD MET A 437 -9.264 16.570 -13.000 1.00 33.12 S ATOM 542 CE MET A 437 -9.867 17.923 -11.985 1.00 54.40 C ATOM 0 HA MET A 437 -9.629 14.071 -14.100 1.00 31.45 H new ATOM 0 HB2 MET A 437 -8.380 13.292 -11.454 1.00 51.22 H new ATOM 0 HB3 MET A 437 -7.559 14.132 -12.754 1.00 51.22 H new ATOM 0 HG2 MET A 437 -9.943 15.157 -11.187 1.00 11.41 H new ATOM 0 HG3 MET A 437 -8.281 15.681 -11.003 1.00 11.41 H new ATOM 0 HE1 MET A 437 -10.076 18.787 -12.616 1.00 54.40 H new ATOM 0 HE2 MET A 437 -10.781 17.617 -11.476 1.00 54.40 H new ATOM 0 HE3 MET A 437 -9.111 18.188 -11.246 1.00 54.40 H new ATOM 552 N PRO A 438 -8.683 12.008 -15.200 1.00 73.00 N ATOM 553 CA PRO A 438 -8.259 10.785 -15.906 1.00 53.40 C ATOM 554 C PRO A 438 -7.026 10.090 -15.315 1.00 31.41 C ATOM 555 O PRO A 438 -7.013 8.870 -15.184 1.00 74.02 O ATOM 556 CB PRO A 438 -7.974 11.260 -17.341 1.00 4.40 C ATOM 557 CG PRO A 438 -7.941 12.749 -17.263 1.00 25.41 C ATOM 558 CD PRO A 438 -8.840 13.129 -16.135 1.00 71.33 C ATOM 0 HA PRO A 438 -9.037 10.025 -15.830 1.00 53.40 H new ATOM 0 HB2 PRO A 438 -7.026 10.864 -17.705 1.00 4.40 H new ATOM 0 HB3 PRO A 438 -8.748 10.919 -18.029 1.00 4.40 H new ATOM 0 HG2 PRO A 438 -6.926 13.107 -17.089 1.00 25.41 H new ATOM 0 HG3 PRO A 438 -8.280 13.195 -18.198 1.00 25.41 H new ATOM 0 HD2 PRO A 438 -8.544 14.076 -15.684 1.00 71.33 H new ATOM 0 HD3 PRO A 438 -9.874 13.241 -16.462 1.00 71.33 H new ATOM 566 N GLN A 439 -6.017 10.849 -14.923 1.00 30.42 N ATOM 567 CA GLN A 439 -4.800 10.246 -14.401 1.00 21.13 C ATOM 568 C GLN A 439 -5.050 9.641 -13.028 1.00 51.23 C ATOM 569 O GLN A 439 -4.629 8.517 -12.743 1.00 11.35 O ATOM 570 CB GLN A 439 -3.654 11.252 -14.350 1.00 12.11 C ATOM 571 CG GLN A 439 -2.337 10.651 -13.883 1.00 4.04 C ATOM 572 CD GLN A 439 -1.213 11.653 -13.862 1.00 12.51 C ATOM 573 OE1 GLN A 439 -1.428 12.851 -13.649 1.00 43.13 O ATOM 574 NE2 GLN A 439 -0.017 11.189 -14.084 1.00 51.14 N ATOM 0 H GLN A 439 -6.013 11.869 -14.955 1.00 30.42 H new ATOM 0 HA GLN A 439 -4.505 9.448 -15.083 1.00 21.13 H new ATOM 0 HB2 GLN A 439 -3.516 11.683 -15.341 1.00 12.11 H new ATOM 0 HB3 GLN A 439 -3.928 12.069 -13.682 1.00 12.11 H new ATOM 0 HG2 GLN A 439 -2.466 10.236 -12.883 1.00 4.04 H new ATOM 0 HG3 GLN A 439 -2.068 9.823 -14.539 1.00 4.04 H new ATOM 0 HE21 GLN A 439 0.120 10.193 -14.256 1.00 51.14 H new ATOM 0 HE22 GLN A 439 0.783 11.822 -14.086 1.00 51.14 H new ATOM 583 N VAL A 440 -5.789 10.363 -12.206 1.00 34.45 N ATOM 584 CA VAL A 440 -6.108 9.911 -10.863 1.00 72.51 C ATOM 585 C VAL A 440 -7.058 8.715 -10.943 1.00 4.54 C ATOM 586 O VAL A 440 -7.020 7.806 -10.109 1.00 32.41 O ATOM 587 CB VAL A 440 -6.740 11.047 -10.015 1.00 35.20 C ATOM 588 CG1 VAL A 440 -6.993 10.593 -8.587 1.00 3.21 C ATOM 589 CG2 VAL A 440 -5.853 12.282 -10.030 1.00 70.30 C ATOM 0 H VAL A 440 -6.183 11.273 -12.447 1.00 34.45 H new ATOM 0 HA VAL A 440 -5.183 9.612 -10.370 1.00 72.51 H new ATOM 0 HB VAL A 440 -7.701 11.302 -10.462 1.00 35.20 H new ATOM 0 HG11 VAL A 440 -7.436 11.411 -8.018 1.00 3.21 H new ATOM 0 HG12 VAL A 440 -7.675 9.743 -8.591 1.00 3.21 H new ATOM 0 HG13 VAL A 440 -6.050 10.300 -8.126 1.00 3.21 H new ATOM 0 HG21 VAL A 440 -6.313 13.067 -9.430 1.00 70.30 H new ATOM 0 HG22 VAL A 440 -4.876 12.033 -9.615 1.00 70.30 H new ATOM 0 HG23 VAL A 440 -5.733 12.632 -11.055 1.00 70.30 H new ATOM 599 N LEU A 441 -7.878 8.713 -11.984 1.00 64.13 N ATOM 600 CA LEU A 441 -8.805 7.629 -12.274 1.00 51.14 C ATOM 601 C LEU A 441 -7.998 6.321 -12.492 1.00 64.21 C ATOM 602 O LEU A 441 -8.453 5.233 -12.151 1.00 11.54 O ATOM 603 CB LEU A 441 -9.679 8.026 -13.512 1.00 10.32 C ATOM 604 CG LEU A 441 -10.917 7.161 -13.896 1.00 72.24 C ATOM 605 CD1 LEU A 441 -11.713 7.872 -14.978 1.00 0.03 C ATOM 606 CD2 LEU A 441 -10.524 5.787 -14.412 1.00 34.24 C ATOM 0 H LEU A 441 -7.919 9.475 -12.661 1.00 64.13 H new ATOM 0 HA LEU A 441 -9.486 7.452 -11.442 1.00 51.14 H new ATOM 0 HB2 LEU A 441 -10.032 9.044 -13.348 1.00 10.32 H new ATOM 0 HB3 LEU A 441 -9.020 8.054 -14.380 1.00 10.32 H new ATOM 0 HG LEU A 441 -11.511 7.028 -12.992 1.00 72.24 H new ATOM 0 HD11 LEU A 441 -12.580 7.269 -15.248 1.00 0.03 H new ATOM 0 HD12 LEU A 441 -12.047 8.841 -14.607 1.00 0.03 H new ATOM 0 HD13 LEU A 441 -11.084 8.017 -15.856 1.00 0.03 H new ATOM 0 HD21 LEU A 441 -11.422 5.223 -14.666 1.00 34.24 H new ATOM 0 HD22 LEU A 441 -9.901 5.896 -15.300 1.00 34.24 H new ATOM 0 HD23 LEU A 441 -9.967 5.254 -13.641 1.00 34.24 H new ATOM 618 N HIS A 442 -6.776 6.441 -13.027 1.00 23.31 N ATOM 619 CA HIS A 442 -5.914 5.264 -13.189 1.00 42.42 C ATOM 620 C HIS A 442 -5.463 4.731 -11.837 1.00 3.02 C ATOM 621 O HIS A 442 -5.369 3.534 -11.649 1.00 44.43 O ATOM 622 CB HIS A 442 -4.711 5.502 -14.119 1.00 64.21 C ATOM 623 CG HIS A 442 -5.070 5.656 -15.568 1.00 60.44 C ATOM 624 ND1 HIS A 442 -5.191 4.591 -16.426 1.00 3.32 N ATOM 625 CD2 HIS A 442 -5.336 6.748 -16.304 1.00 13.23 C ATOM 626 CE1 HIS A 442 -5.516 5.025 -17.619 1.00 33.34 C ATOM 627 NE2 HIS A 442 -5.611 6.329 -17.570 1.00 44.31 N ATOM 0 H HIS A 442 -6.369 7.320 -13.348 1.00 23.31 H new ATOM 0 HA HIS A 442 -6.526 4.508 -13.681 1.00 42.42 H new ATOM 0 HB2 HIS A 442 -4.185 6.398 -13.790 1.00 64.21 H new ATOM 0 HB3 HIS A 442 -4.017 4.668 -14.016 1.00 64.21 H new ATOM 0 HD2 HIS A 442 -5.332 7.770 -15.956 1.00 13.23 H new ATOM 0 HE1 HIS A 442 -5.678 4.411 -18.493 1.00 33.34 H new ATOM 0 HE2 HIS A 442 -5.852 6.935 -18.354 1.00 44.31 H new ATOM 636 N TYR A 443 -5.222 5.625 -10.892 1.00 33.43 N ATOM 637 CA TYR A 443 -4.859 5.223 -9.532 1.00 42.12 C ATOM 638 C TYR A 443 -6.034 4.571 -8.831 1.00 61.24 C ATOM 639 O TYR A 443 -5.864 3.731 -7.946 1.00 63.33 O ATOM 640 CB TYR A 443 -4.276 6.382 -8.725 1.00 73.11 C ATOM 641 CG TYR A 443 -2.919 6.822 -9.219 1.00 44.21 C ATOM 642 CD1 TYR A 443 -1.767 6.232 -8.721 1.00 14.34 C ATOM 643 CD2 TYR A 443 -2.783 7.810 -10.185 1.00 62.15 C ATOM 644 CE1 TYR A 443 -0.522 6.612 -9.168 1.00 63.31 C ATOM 645 CE2 TYR A 443 -1.538 8.197 -10.637 1.00 4.42 C ATOM 646 CZ TYR A 443 -0.410 7.593 -10.125 1.00 24.31 C ATOM 647 OH TYR A 443 0.839 7.975 -10.576 1.00 44.41 O ATOM 0 H TYR A 443 -5.270 6.634 -11.036 1.00 33.43 H new ATOM 0 HA TYR A 443 -4.067 4.478 -9.608 1.00 42.12 H new ATOM 0 HB2 TYR A 443 -4.963 7.227 -8.766 1.00 73.11 H new ATOM 0 HB3 TYR A 443 -4.197 6.086 -7.679 1.00 73.11 H new ATOM 0 HD1 TYR A 443 -1.848 5.461 -7.969 1.00 14.34 H new ATOM 0 HD2 TYR A 443 -3.666 8.283 -10.589 1.00 62.15 H new ATOM 0 HE1 TYR A 443 0.364 6.141 -8.768 1.00 63.31 H new ATOM 0 HE2 TYR A 443 -1.448 8.968 -11.387 1.00 4.42 H new ATOM 0 HH TYR A 443 0.742 8.678 -11.252 1.00 44.41 H new ATOM 657 N ALA A 444 -7.222 4.957 -9.229 1.00 61.40 N ATOM 658 CA ALA A 444 -8.443 4.336 -8.736 1.00 75.44 C ATOM 659 C ALA A 444 -8.522 2.911 -9.262 1.00 10.33 C ATOM 660 O ALA A 444 -9.008 2.011 -8.584 1.00 50.03 O ATOM 661 CB ALA A 444 -9.671 5.143 -9.133 1.00 31.31 C ATOM 0 H ALA A 444 -7.377 5.708 -9.902 1.00 61.40 H new ATOM 0 HA ALA A 444 -8.420 4.313 -7.646 1.00 75.44 H new ATOM 0 HB1 ALA A 444 -10.567 4.654 -8.751 1.00 31.31 H new ATOM 0 HB2 ALA A 444 -9.598 6.146 -8.714 1.00 31.31 H new ATOM 0 HB3 ALA A 444 -9.729 5.207 -10.220 1.00 31.31 H new ATOM 667 N GLN A 445 -8.020 2.712 -10.466 1.00 52.31 N ATOM 668 CA GLN A 445 -7.929 1.384 -11.023 1.00 2.21 C ATOM 669 C GLN A 445 -6.882 0.580 -10.260 1.00 22.12 C ATOM 670 O GLN A 445 -7.101 -0.565 -9.940 1.00 23.12 O ATOM 671 CB GLN A 445 -7.601 1.419 -12.522 1.00 34.34 C ATOM 672 CG GLN A 445 -8.664 2.100 -13.370 1.00 11.14 C ATOM 673 CD GLN A 445 -8.311 2.146 -14.849 1.00 71.24 C ATOM 674 OE1 GLN A 445 -7.618 1.275 -15.373 1.00 10.34 O ATOM 675 NE2 GLN A 445 -8.787 3.154 -15.530 1.00 22.11 N ATOM 0 H GLN A 445 -7.671 3.454 -11.073 1.00 52.31 H new ATOM 0 HA GLN A 445 -8.901 0.901 -10.918 1.00 2.21 H new ATOM 0 HB2 GLN A 445 -6.651 1.935 -12.664 1.00 34.34 H new ATOM 0 HB3 GLN A 445 -7.465 0.398 -12.878 1.00 34.34 H new ATOM 0 HG2 GLN A 445 -9.611 1.575 -13.245 1.00 11.14 H new ATOM 0 HG3 GLN A 445 -8.813 3.117 -13.007 1.00 11.14 H new ATOM 0 HE21 GLN A 445 -9.359 3.859 -15.065 1.00 22.11 H new ATOM 0 HE22 GLN A 445 -8.587 3.236 -16.527 1.00 22.11 H new ATOM 684 N TYR A 446 -5.766 1.219 -9.908 1.00 53.10 N ATOM 685 CA TYR A 446 -4.696 0.538 -9.192 1.00 53.23 C ATOM 686 C TYR A 446 -5.125 0.088 -7.811 1.00 31.42 C ATOM 687 O TYR A 446 -4.763 -1.007 -7.366 1.00 43.20 O ATOM 688 CB TYR A 446 -3.405 1.362 -9.138 1.00 23.01 C ATOM 689 CG TYR A 446 -2.643 1.399 -10.449 1.00 52.23 C ATOM 690 CD1 TYR A 446 -2.007 0.257 -10.920 1.00 23.25 C ATOM 691 CD2 TYR A 446 -2.545 2.557 -11.206 1.00 52.25 C ATOM 692 CE1 TYR A 446 -1.302 0.272 -12.104 1.00 54.22 C ATOM 693 CE2 TYR A 446 -1.843 2.580 -12.393 1.00 44.22 C ATOM 694 CZ TYR A 446 -1.224 1.436 -12.836 1.00 1.50 C ATOM 695 OH TYR A 446 -0.525 1.451 -14.028 1.00 15.41 O ATOM 0 H TYR A 446 -5.583 2.202 -10.107 1.00 53.10 H new ATOM 0 HA TYR A 446 -4.474 -0.359 -9.769 1.00 53.23 H new ATOM 0 HB2 TYR A 446 -3.649 2.382 -8.842 1.00 23.01 H new ATOM 0 HB3 TYR A 446 -2.756 0.952 -8.364 1.00 23.01 H new ATOM 0 HD1 TYR A 446 -2.066 -0.658 -10.349 1.00 23.25 H new ATOM 0 HD2 TYR A 446 -3.028 3.459 -10.859 1.00 52.25 H new ATOM 0 HE1 TYR A 446 -0.813 -0.624 -12.456 1.00 54.22 H new ATOM 0 HE2 TYR A 446 -1.780 3.491 -12.970 1.00 44.22 H new ATOM 0 HH TYR A 446 -0.567 2.348 -14.421 1.00 15.41 H new ATOM 705 N VAL A 447 -5.911 0.905 -7.141 1.00 11.23 N ATOM 706 CA VAL A 447 -6.405 0.533 -5.839 1.00 3.52 C ATOM 707 C VAL A 447 -7.461 -0.578 -5.994 1.00 32.44 C ATOM 708 O VAL A 447 -7.614 -1.447 -5.115 1.00 0.33 O ATOM 709 CB VAL A 447 -6.954 1.758 -5.039 1.00 4.44 C ATOM 710 CG1 VAL A 447 -8.240 2.316 -5.617 1.00 34.53 C ATOM 711 CG2 VAL A 447 -7.094 1.446 -3.559 1.00 31.52 C ATOM 0 H VAL A 447 -6.217 1.819 -7.474 1.00 11.23 H new ATOM 0 HA VAL A 447 -5.573 0.148 -5.249 1.00 3.52 H new ATOM 0 HB VAL A 447 -6.207 2.546 -5.142 1.00 4.44 H new ATOM 0 HG11 VAL A 447 -8.570 3.164 -5.018 1.00 34.53 H new ATOM 0 HG12 VAL A 447 -8.067 2.642 -6.643 1.00 34.53 H new ATOM 0 HG13 VAL A 447 -9.009 1.543 -5.607 1.00 34.53 H new ATOM 0 HG21 VAL A 447 -7.478 2.322 -3.037 1.00 31.52 H new ATOM 0 HG22 VAL A 447 -7.784 0.613 -3.426 1.00 31.52 H new ATOM 0 HG23 VAL A 447 -6.120 1.178 -3.150 1.00 31.52 H new ATOM 721 N LEU A 448 -8.173 -0.558 -7.128 1.00 0.34 N ATOM 722 CA LEU A 448 -9.127 -1.581 -7.456 1.00 33.44 C ATOM 723 C LEU A 448 -8.424 -2.928 -7.675 1.00 60.01 C ATOM 724 O LEU A 448 -8.910 -3.957 -7.228 1.00 54.01 O ATOM 725 CB LEU A 448 -9.932 -1.182 -8.688 1.00 30.41 C ATOM 726 CG LEU A 448 -10.922 -2.217 -9.186 1.00 53.32 C ATOM 727 CD1 LEU A 448 -12.005 -2.502 -8.144 1.00 13.32 C ATOM 728 CD2 LEU A 448 -11.529 -1.802 -10.509 1.00 61.23 C ATOM 0 H LEU A 448 -8.091 0.175 -7.832 1.00 0.34 H new ATOM 0 HA LEU A 448 -9.816 -1.693 -6.619 1.00 33.44 H new ATOM 0 HB2 LEU A 448 -10.475 -0.264 -8.464 1.00 30.41 H new ATOM 0 HB3 LEU A 448 -9.237 -0.952 -9.495 1.00 30.41 H new ATOM 0 HG LEU A 448 -10.373 -3.144 -9.349 1.00 53.32 H new ATOM 0 HD11 LEU A 448 -12.698 -3.248 -8.534 1.00 13.32 H new ATOM 0 HD12 LEU A 448 -11.542 -2.878 -7.232 1.00 13.32 H new ATOM 0 HD13 LEU A 448 -12.548 -1.583 -7.923 1.00 13.32 H new ATOM 0 HD21 LEU A 448 -12.235 -2.564 -10.841 1.00 61.23 H new ATOM 0 HD22 LEU A 448 -12.050 -0.852 -10.388 1.00 61.23 H new ATOM 0 HD23 LEU A 448 -10.740 -1.690 -11.252 1.00 61.23 H new ATOM 740 N LEU A 449 -7.268 -2.911 -8.357 1.00 32.11 N ATOM 741 CA LEU A 449 -6.460 -4.132 -8.536 1.00 25.31 C ATOM 742 C LEU A 449 -6.076 -4.766 -7.201 1.00 22.33 C ATOM 743 O LEU A 449 -5.960 -5.981 -7.106 1.00 61.23 O ATOM 744 CB LEU A 449 -5.215 -3.939 -9.439 1.00 71.53 C ATOM 745 CG LEU A 449 -5.402 -4.019 -10.981 1.00 12.53 C ATOM 746 CD1 LEU A 449 -5.936 -5.375 -11.399 1.00 53.20 C ATOM 747 CD2 LEU A 449 -6.283 -2.920 -11.521 1.00 43.30 C ATOM 0 H LEU A 449 -6.873 -2.076 -8.790 1.00 32.11 H new ATOM 0 HA LEU A 449 -7.113 -4.824 -9.068 1.00 25.31 H new ATOM 0 HB2 LEU A 449 -4.784 -2.965 -9.207 1.00 71.53 H new ATOM 0 HB3 LEU A 449 -4.478 -4.690 -9.154 1.00 71.53 H new ATOM 0 HG LEU A 449 -4.412 -3.880 -11.415 1.00 12.53 H new ATOM 0 HD11 LEU A 449 -6.056 -5.401 -12.482 1.00 53.20 H new ATOM 0 HD12 LEU A 449 -5.235 -6.152 -11.093 1.00 53.20 H new ATOM 0 HD13 LEU A 449 -6.901 -5.549 -10.923 1.00 53.20 H new ATOM 0 HD21 LEU A 449 -6.377 -3.027 -12.602 1.00 43.30 H new ATOM 0 HD22 LEU A 449 -7.270 -2.986 -11.062 1.00 43.30 H new ATOM 0 HD23 LEU A 449 -5.840 -1.951 -11.290 1.00 43.30 H new ATOM 759 N GLY A 450 -5.889 -3.938 -6.174 1.00 2.05 N ATOM 760 CA GLY A 450 -5.606 -4.457 -4.841 1.00 63.52 C ATOM 761 C GLY A 450 -6.753 -5.328 -4.344 1.00 32.32 C ATOM 762 O GLY A 450 -6.540 -6.391 -3.743 1.00 32.23 O ATOM 0 H GLY A 450 -5.928 -2.921 -6.239 1.00 2.05 H new ATOM 0 HA2 GLY A 450 -4.684 -5.038 -4.860 1.00 63.52 H new ATOM 0 HA3 GLY A 450 -5.446 -3.629 -4.150 1.00 63.52 H new ATOM 766 N LEU A 451 -7.971 -4.875 -4.605 1.00 33.41 N ATOM 767 CA LEU A 451 -9.169 -5.633 -4.279 1.00 72.24 C ATOM 768 C LEU A 451 -9.282 -6.840 -5.216 1.00 73.33 C ATOM 769 O LEU A 451 -9.706 -7.918 -4.813 1.00 44.23 O ATOM 770 CB LEU A 451 -10.415 -4.738 -4.386 1.00 14.45 C ATOM 771 CG LEU A 451 -11.765 -5.401 -4.084 1.00 24.12 C ATOM 772 CD1 LEU A 451 -11.803 -5.941 -2.662 1.00 61.40 C ATOM 773 CD2 LEU A 451 -12.902 -4.419 -4.317 1.00 74.54 C ATOM 0 H LEU A 451 -8.156 -3.975 -5.047 1.00 33.41 H new ATOM 0 HA LEU A 451 -9.100 -5.991 -3.252 1.00 72.24 H new ATOM 0 HB2 LEU A 451 -10.289 -3.896 -3.705 1.00 14.45 H new ATOM 0 HB3 LEU A 451 -10.455 -4.329 -5.395 1.00 14.45 H new ATOM 0 HG LEU A 451 -11.890 -6.243 -4.765 1.00 24.12 H new ATOM 0 HD11 LEU A 451 -12.771 -6.406 -2.475 1.00 61.40 H new ATOM 0 HD12 LEU A 451 -11.014 -6.682 -2.533 1.00 61.40 H new ATOM 0 HD13 LEU A 451 -11.651 -5.123 -1.958 1.00 61.40 H new ATOM 0 HD21 LEU A 451 -13.853 -4.905 -4.098 1.00 74.54 H new ATOM 0 HD22 LEU A 451 -12.777 -3.556 -3.663 1.00 74.54 H new ATOM 0 HD23 LEU A 451 -12.893 -4.091 -5.357 1.00 74.54 H new ATOM 785 N GLY A 452 -8.877 -6.631 -6.464 1.00 3.44 N ATOM 786 CA GLY A 452 -8.878 -7.682 -7.469 1.00 13.12 C ATOM 787 C GLY A 452 -7.979 -8.842 -7.079 1.00 31.12 C ATOM 788 O GLY A 452 -8.261 -9.996 -7.418 1.00 33.02 O ATOM 0 H GLY A 452 -8.540 -5.730 -6.804 1.00 3.44 H new ATOM 0 HA2 GLY A 452 -9.896 -8.045 -7.614 1.00 13.12 H new ATOM 0 HA3 GLY A 452 -8.547 -7.272 -8.423 1.00 13.12 H new ATOM 792 N GLY A 453 -6.893 -8.530 -6.383 1.00 72.50 N ATOM 793 CA GLY A 453 -6.001 -9.552 -5.876 1.00 3.43 C ATOM 794 C GLY A 453 -6.702 -10.423 -4.864 1.00 62.42 C ATOM 795 O GLY A 453 -6.611 -11.635 -4.916 1.00 52.54 O ATOM 0 H GLY A 453 -6.613 -7.575 -6.159 1.00 72.50 H new ATOM 0 HA2 GLY A 453 -5.638 -10.165 -6.701 1.00 3.43 H new ATOM 0 HA3 GLY A 453 -5.129 -9.085 -5.418 1.00 3.43 H new ATOM 799 N LEU A 454 -7.439 -9.781 -3.966 1.00 1.22 N ATOM 800 CA LEU A 454 -8.224 -10.472 -2.937 1.00 41.42 C ATOM 801 C LEU A 454 -9.280 -11.340 -3.637 1.00 32.34 C ATOM 802 O LEU A 454 -9.497 -12.502 -3.281 1.00 2.22 O ATOM 803 CB LEU A 454 -8.878 -9.392 -2.006 1.00 31.03 C ATOM 804 CG LEU A 454 -9.673 -9.835 -0.738 1.00 74.22 C ATOM 805 CD1 LEU A 454 -10.031 -8.611 0.084 1.00 74.23 C ATOM 806 CD2 LEU A 454 -10.962 -10.576 -1.087 1.00 54.34 C ATOM 0 H LEU A 454 -7.513 -8.764 -3.926 1.00 1.22 H new ATOM 0 HA LEU A 454 -7.602 -11.121 -2.321 1.00 41.42 H new ATOM 0 HB2 LEU A 454 -8.082 -8.725 -1.674 1.00 31.03 H new ATOM 0 HB3 LEU A 454 -9.554 -8.799 -2.622 1.00 31.03 H new ATOM 0 HG LEU A 454 -9.032 -10.515 -0.177 1.00 74.22 H new ATOM 0 HD11 LEU A 454 -10.586 -8.918 0.970 1.00 74.23 H new ATOM 0 HD12 LEU A 454 -9.119 -8.097 0.387 1.00 74.23 H new ATOM 0 HD13 LEU A 454 -10.645 -7.938 -0.514 1.00 74.23 H new ATOM 0 HD21 LEU A 454 -11.477 -10.862 -0.170 1.00 54.34 H new ATOM 0 HD22 LEU A 454 -11.607 -9.926 -1.678 1.00 54.34 H new ATOM 0 HD23 LEU A 454 -10.723 -11.470 -1.663 1.00 54.34 H new ATOM 818 N LEU A 455 -9.891 -10.762 -4.662 1.00 54.04 N ATOM 819 CA LEU A 455 -10.927 -11.406 -5.453 1.00 74.02 C ATOM 820 C LEU A 455 -10.404 -12.696 -6.110 1.00 64.13 C ATOM 821 O LEU A 455 -11.155 -13.625 -6.309 1.00 50.33 O ATOM 822 CB LEU A 455 -11.483 -10.377 -6.491 1.00 63.04 C ATOM 823 CG LEU A 455 -12.673 -10.775 -7.411 1.00 1.34 C ATOM 824 CD1 LEU A 455 -13.234 -9.530 -8.060 1.00 33.24 C ATOM 825 CD2 LEU A 455 -12.247 -11.734 -8.521 1.00 45.40 C ATOM 0 H LEU A 455 -9.675 -9.814 -4.972 1.00 54.04 H new ATOM 0 HA LEU A 455 -11.749 -11.716 -4.808 1.00 74.02 H new ATOM 0 HB2 LEU A 455 -11.783 -9.487 -5.938 1.00 63.04 H new ATOM 0 HB3 LEU A 455 -10.655 -10.087 -7.137 1.00 63.04 H new ATOM 0 HG LEU A 455 -13.416 -11.273 -6.788 1.00 1.34 H new ATOM 0 HD11 LEU A 455 -14.069 -9.801 -8.706 1.00 33.24 H new ATOM 0 HD12 LEU A 455 -13.581 -8.842 -7.289 1.00 33.24 H new ATOM 0 HD13 LEU A 455 -12.457 -9.048 -8.653 1.00 33.24 H new ATOM 0 HD21 LEU A 455 -13.111 -11.984 -9.137 1.00 45.40 H new ATOM 0 HD22 LEU A 455 -11.485 -11.259 -9.139 1.00 45.40 H new ATOM 0 HD23 LEU A 455 -11.841 -12.644 -8.080 1.00 45.40 H new ATOM 837 N LEU A 456 -9.108 -12.748 -6.390 1.00 63.11 N ATOM 838 CA LEU A 456 -8.492 -13.914 -7.035 1.00 60.24 C ATOM 839 C LEU A 456 -8.597 -15.168 -6.151 1.00 3.50 C ATOM 840 O LEU A 456 -8.753 -16.285 -6.651 1.00 63.01 O ATOM 841 CB LEU A 456 -7.022 -13.624 -7.372 1.00 20.33 C ATOM 842 CG LEU A 456 -6.244 -14.737 -8.082 1.00 15.02 C ATOM 843 CD1 LEU A 456 -6.861 -15.055 -9.439 1.00 65.35 C ATOM 844 CD2 LEU A 456 -4.780 -14.353 -8.230 1.00 13.42 C ATOM 0 H LEU A 456 -8.454 -11.993 -6.181 1.00 63.11 H new ATOM 0 HA LEU A 456 -9.037 -14.109 -7.958 1.00 60.24 H new ATOM 0 HB2 LEU A 456 -6.986 -12.732 -7.998 1.00 20.33 H new ATOM 0 HB3 LEU A 456 -6.502 -13.384 -6.445 1.00 20.33 H new ATOM 0 HG LEU A 456 -6.303 -15.637 -7.470 1.00 15.02 H new ATOM 0 HD11 LEU A 456 -6.290 -15.848 -9.922 1.00 65.35 H new ATOM 0 HD12 LEU A 456 -7.892 -15.382 -9.302 1.00 65.35 H new ATOM 0 HD13 LEU A 456 -6.843 -14.163 -10.065 1.00 65.35 H new ATOM 0 HD21 LEU A 456 -4.243 -15.155 -8.736 1.00 13.42 H new ATOM 0 HD22 LEU A 456 -4.701 -13.437 -8.816 1.00 13.42 H new ATOM 0 HD23 LEU A 456 -4.345 -14.191 -7.244 1.00 13.42 H new ATOM 856 N LEU A 457 -8.537 -14.971 -4.847 1.00 55.22 N ATOM 857 CA LEU A 457 -8.622 -16.079 -3.904 1.00 63.03 C ATOM 858 C LEU A 457 -10.048 -16.586 -3.785 1.00 34.23 C ATOM 859 O LEU A 457 -10.274 -17.768 -3.539 1.00 34.42 O ATOM 860 CB LEU A 457 -8.086 -15.706 -2.495 1.00 4.42 C ATOM 861 CG LEU A 457 -6.568 -15.436 -2.329 1.00 62.31 C ATOM 862 CD1 LEU A 457 -6.110 -14.215 -3.104 1.00 10.42 C ATOM 863 CD2 LEU A 457 -6.217 -15.295 -0.856 1.00 44.21 C ATOM 0 H LEU A 457 -8.430 -14.054 -4.413 1.00 55.22 H new ATOM 0 HA LEU A 457 -7.987 -16.869 -4.305 1.00 63.03 H new ATOM 0 HB2 LEU A 457 -8.619 -14.816 -2.162 1.00 4.42 H new ATOM 0 HB3 LEU A 457 -8.356 -16.513 -1.813 1.00 4.42 H new ATOM 0 HG LEU A 457 -6.039 -16.294 -2.745 1.00 62.31 H new ATOM 0 HD11 LEU A 457 -5.040 -14.069 -2.955 1.00 10.42 H new ATOM 0 HD12 LEU A 457 -6.312 -14.361 -4.165 1.00 10.42 H new ATOM 0 HD13 LEU A 457 -6.649 -13.336 -2.750 1.00 10.42 H new ATOM 0 HD21 LEU A 457 -5.149 -15.106 -0.753 1.00 44.21 H new ATOM 0 HD22 LEU A 457 -6.776 -14.463 -0.427 1.00 44.21 H new ATOM 0 HD23 LEU A 457 -6.475 -16.215 -0.331 1.00 44.21 H new ATOM 875 N VAL A 458 -11.001 -15.688 -3.994 1.00 34.03 N ATOM 876 CA VAL A 458 -12.429 -15.979 -3.819 1.00 61.13 C ATOM 877 C VAL A 458 -12.926 -17.251 -4.586 1.00 10.43 C ATOM 878 O VAL A 458 -13.506 -18.145 -3.953 1.00 22.05 O ATOM 879 CB VAL A 458 -13.332 -14.741 -4.108 1.00 12.24 C ATOM 880 CG1 VAL A 458 -14.797 -15.079 -3.914 1.00 4.52 C ATOM 881 CG2 VAL A 458 -12.939 -13.585 -3.198 1.00 42.14 C ATOM 0 H VAL A 458 -10.811 -14.731 -4.291 1.00 34.03 H new ATOM 0 HA VAL A 458 -12.531 -16.219 -2.761 1.00 61.13 H new ATOM 0 HB VAL A 458 -13.185 -14.447 -5.147 1.00 12.24 H new ATOM 0 HG11 VAL A 458 -15.404 -14.198 -4.122 1.00 4.52 H new ATOM 0 HG12 VAL A 458 -15.078 -15.883 -4.595 1.00 4.52 H new ATOM 0 HG13 VAL A 458 -14.963 -15.400 -2.886 1.00 4.52 H new ATOM 0 HG21 VAL A 458 -13.575 -12.725 -3.407 1.00 42.14 H new ATOM 0 HG22 VAL A 458 -13.063 -13.883 -2.157 1.00 42.14 H new ATOM 0 HG23 VAL A 458 -11.898 -13.318 -3.378 1.00 42.14 H new ATOM 891 N PRO A 459 -12.705 -17.380 -5.935 1.00 34.42 N ATOM 892 CA PRO A 459 -13.135 -18.573 -6.675 1.00 13.32 C ATOM 893 C PRO A 459 -12.430 -19.823 -6.165 1.00 2.13 C ATOM 894 O PRO A 459 -13.001 -20.904 -6.146 1.00 11.31 O ATOM 895 CB PRO A 459 -12.719 -18.284 -8.123 1.00 51.13 C ATOM 896 CG PRO A 459 -12.560 -16.811 -8.181 1.00 22.43 C ATOM 897 CD PRO A 459 -12.060 -16.409 -6.832 1.00 32.40 C ATOM 0 HA PRO A 459 -14.203 -18.760 -6.566 1.00 13.32 H new ATOM 0 HB2 PRO A 459 -11.789 -18.793 -8.377 1.00 51.13 H new ATOM 0 HB3 PRO A 459 -13.475 -18.629 -8.829 1.00 51.13 H new ATOM 0 HG2 PRO A 459 -11.856 -16.523 -8.962 1.00 22.43 H new ATOM 0 HG3 PRO A 459 -13.507 -16.323 -8.410 1.00 22.43 H new ATOM 0 HD2 PRO A 459 -10.973 -16.465 -6.772 1.00 32.40 H new ATOM 0 HD3 PRO A 459 -12.341 -15.385 -6.587 1.00 32.40 H new ATOM 905 N ILE A 460 -11.193 -19.655 -5.717 1.00 54.51 N ATOM 906 CA ILE A 460 -10.413 -20.761 -5.199 1.00 21.04 C ATOM 907 C ILE A 460 -11.020 -21.234 -3.876 1.00 21.23 C ATOM 908 O ILE A 460 -11.127 -22.428 -3.623 1.00 22.24 O ATOM 909 CB ILE A 460 -8.919 -20.369 -4.997 1.00 5.15 C ATOM 910 CG1 ILE A 460 -8.312 -19.843 -6.317 1.00 23.32 C ATOM 911 CG2 ILE A 460 -8.113 -21.559 -4.475 1.00 51.22 C ATOM 912 CD1 ILE A 460 -8.352 -20.831 -7.476 1.00 35.31 C ATOM 0 H ILE A 460 -10.710 -18.757 -5.704 1.00 54.51 H new ATOM 0 HA ILE A 460 -10.441 -21.570 -5.929 1.00 21.04 H new ATOM 0 HB ILE A 460 -8.874 -19.572 -4.254 1.00 5.15 H new ATOM 0 HG12 ILE A 460 -8.844 -18.938 -6.610 1.00 23.32 H new ATOM 0 HG13 ILE A 460 -7.276 -19.558 -6.136 1.00 23.32 H new ATOM 0 HG21 ILE A 460 -7.073 -21.263 -4.341 1.00 51.22 H new ATOM 0 HG22 ILE A 460 -8.523 -21.885 -3.519 1.00 51.22 H new ATOM 0 HG23 ILE A 460 -8.168 -22.378 -5.192 1.00 51.22 H new ATOM 0 HD11 ILE A 460 -7.905 -20.374 -8.359 1.00 35.31 H new ATOM 0 HD12 ILE A 460 -7.793 -21.728 -7.209 1.00 35.31 H new ATOM 0 HD13 ILE A 460 -9.387 -21.098 -7.691 1.00 35.31 H new ATOM 924 N ILE A 461 -11.447 -20.278 -3.055 1.00 3.41 N ATOM 925 CA ILE A 461 -12.121 -20.570 -1.790 1.00 73.13 C ATOM 926 C ILE A 461 -13.434 -21.330 -2.057 1.00 1.10 C ATOM 927 O ILE A 461 -13.817 -22.251 -1.305 1.00 11.25 O ATOM 928 CB ILE A 461 -12.395 -19.257 -0.977 1.00 43.32 C ATOM 929 CG1 ILE A 461 -11.067 -18.563 -0.621 1.00 1.33 C ATOM 930 CG2 ILE A 461 -13.202 -19.542 0.285 1.00 22.23 C ATOM 931 CD1 ILE A 461 -11.225 -17.256 0.142 1.00 11.44 C ATOM 0 H ILE A 461 -11.337 -19.282 -3.246 1.00 3.41 H new ATOM 0 HA ILE A 461 -11.465 -21.199 -1.188 1.00 73.13 H new ATOM 0 HB ILE A 461 -12.985 -18.590 -1.605 1.00 43.32 H new ATOM 0 HG12 ILE A 461 -10.462 -19.247 -0.025 1.00 1.33 H new ATOM 0 HG13 ILE A 461 -10.515 -18.368 -1.541 1.00 1.33 H new ATOM 0 HG21 ILE A 461 -13.374 -18.611 0.825 1.00 22.23 H new ATOM 0 HG22 ILE A 461 -14.160 -19.986 0.012 1.00 22.23 H new ATOM 0 HG23 ILE A 461 -12.650 -20.234 0.921 1.00 22.23 H new ATOM 0 HD11 ILE A 461 -10.241 -16.836 0.351 1.00 11.44 H new ATOM 0 HD12 ILE A 461 -11.800 -16.551 -0.459 1.00 11.44 H new ATOM 0 HD13 ILE A 461 -11.747 -17.443 1.081 1.00 11.44 H new ATOM 943 N CYS A 462 -14.082 -20.977 -3.157 1.00 74.12 N ATOM 944 CA CYS A 462 -15.325 -21.610 -3.570 1.00 33.11 C ATOM 945 C CYS A 462 -15.058 -23.047 -4.048 1.00 2.22 C ATOM 946 O CYS A 462 -15.917 -23.930 -3.934 1.00 75.11 O ATOM 947 CB CYS A 462 -15.989 -20.794 -4.684 1.00 24.43 C ATOM 948 SG CYS A 462 -16.326 -19.070 -4.241 1.00 13.40 S ATOM 0 H CYS A 462 -13.761 -20.243 -3.789 1.00 74.12 H new ATOM 0 HA CYS A 462 -16.000 -21.648 -2.715 1.00 33.11 H new ATOM 0 HB2 CYS A 462 -15.347 -20.812 -5.565 1.00 24.43 H new ATOM 0 HB3 CYS A 462 -16.926 -21.276 -4.963 1.00 24.43 H new ATOM 0 HG CYS A 462 -15.206 -18.458 -3.994 1.00 13.40 H new ATOM 954 N GLN A 463 -13.841 -23.278 -4.526 1.00 23.01 N ATOM 955 CA GLN A 463 -13.431 -24.578 -5.021 1.00 30.31 C ATOM 956 C GLN A 463 -13.150 -25.514 -3.899 1.00 44.43 C ATOM 957 O GLN A 463 -13.206 -26.708 -4.064 1.00 24.50 O ATOM 958 CB GLN A 463 -12.199 -24.466 -5.922 1.00 44.11 C ATOM 959 CG GLN A 463 -12.489 -23.856 -7.265 1.00 20.22 C ATOM 960 CD GLN A 463 -13.443 -24.720 -8.058 1.00 41.52 C ATOM 961 OE1 GLN A 463 -13.456 -25.952 -7.917 1.00 43.11 O ATOM 962 NE2 GLN A 463 -14.235 -24.120 -8.880 1.00 41.12 N ATOM 0 H GLN A 463 -13.113 -22.566 -4.580 1.00 23.01 H new ATOM 0 HA GLN A 463 -14.258 -24.974 -5.610 1.00 30.31 H new ATOM 0 HB2 GLN A 463 -11.442 -23.867 -5.416 1.00 44.11 H new ATOM 0 HB3 GLN A 463 -11.774 -25.459 -6.067 1.00 44.11 H new ATOM 0 HG2 GLN A 463 -12.917 -22.862 -7.132 1.00 20.22 H new ATOM 0 HG3 GLN A 463 -11.559 -23.731 -7.820 1.00 20.22 H new ATOM 0 HE21 GLN A 463 -14.200 -23.105 -8.973 1.00 41.12 H new ATOM 0 HE22 GLN A 463 -14.897 -24.661 -9.437 1.00 41.12 H new ATOM 971 N LEU A 464 -12.871 -24.961 -2.752 1.00 32.01 N ATOM 972 CA LEU A 464 -12.530 -25.738 -1.586 1.00 2.41 C ATOM 973 C LEU A 464 -13.722 -26.516 -1.063 1.00 10.02 C ATOM 974 O LEU A 464 -13.588 -27.654 -0.649 1.00 62.53 O ATOM 975 CB LEU A 464 -11.942 -24.836 -0.531 1.00 52.42 C ATOM 976 CG LEU A 464 -10.670 -24.112 -0.953 1.00 14.34 C ATOM 977 CD1 LEU A 464 -10.215 -23.141 0.116 1.00 43.40 C ATOM 978 CD2 LEU A 464 -9.560 -25.101 -1.279 1.00 72.13 C ATOM 0 H LEU A 464 -12.873 -23.953 -2.595 1.00 32.01 H new ATOM 0 HA LEU A 464 -11.780 -26.478 -1.866 1.00 2.41 H new ATOM 0 HB2 LEU A 464 -12.689 -24.095 -0.248 1.00 52.42 H new ATOM 0 HB3 LEU A 464 -11.729 -25.429 0.358 1.00 52.42 H new ATOM 0 HG LEU A 464 -10.898 -23.544 -1.855 1.00 14.34 H new ATOM 0 HD11 LEU A 464 -9.305 -22.639 -0.212 1.00 43.40 H new ATOM 0 HD12 LEU A 464 -10.995 -22.401 0.291 1.00 43.40 H new ATOM 0 HD13 LEU A 464 -10.016 -23.684 1.040 1.00 43.40 H new ATOM 0 HD21 LEU A 464 -8.664 -24.557 -1.577 1.00 72.13 H new ATOM 0 HD22 LEU A 464 -9.341 -25.706 -0.399 1.00 72.13 H new ATOM 0 HD23 LEU A 464 -9.879 -25.750 -2.095 1.00 72.13 H new ATOM 990 N ARG A 465 -14.903 -25.929 -1.140 1.00 21.23 N ATOM 991 CA ARG A 465 -16.106 -26.637 -0.702 1.00 31.20 C ATOM 992 C ARG A 465 -16.392 -27.814 -1.618 1.00 21.22 C ATOM 993 O ARG A 465 -17.031 -28.783 -1.226 1.00 24.30 O ATOM 994 CB ARG A 465 -17.336 -25.717 -0.603 1.00 44.45 C ATOM 995 CG ARG A 465 -17.370 -24.787 0.606 1.00 4.13 C ATOM 996 CD ARG A 465 -16.237 -23.786 0.627 1.00 33.13 C ATOM 997 NE ARG A 465 -16.273 -23.003 1.850 1.00 4.22 N ATOM 998 CZ ARG A 465 -15.242 -22.365 2.383 1.00 42.53 C ATOM 999 NH1 ARG A 465 -14.077 -22.313 1.749 1.00 72.03 N ATOM 1000 NH2 ARG A 465 -15.385 -21.757 3.550 1.00 74.24 N ATOM 0 H ARG A 465 -15.061 -24.985 -1.493 1.00 21.23 H new ATOM 0 HA ARG A 465 -15.908 -27.005 0.305 1.00 31.20 H new ATOM 0 HB2 ARG A 465 -17.387 -25.110 -1.507 1.00 44.45 H new ATOM 0 HB3 ARG A 465 -18.231 -26.338 -0.586 1.00 44.45 H new ATOM 0 HG2 ARG A 465 -18.319 -24.251 0.616 1.00 4.13 H new ATOM 0 HG3 ARG A 465 -17.333 -25.385 1.516 1.00 4.13 H new ATOM 0 HD2 ARG A 465 -15.282 -24.307 0.549 1.00 33.13 H new ATOM 0 HD3 ARG A 465 -16.311 -23.126 -0.237 1.00 33.13 H new ATOM 0 HE ARG A 465 -17.166 -22.939 2.339 1.00 4.22 H new ATOM 0 HH11 ARG A 465 -13.969 -22.767 0.842 1.00 72.03 H new ATOM 0 HH12 ARG A 465 -13.290 -21.819 2.169 1.00 72.03 H new ATOM 0 HH21 ARG A 465 -16.284 -21.782 4.031 1.00 74.24 H new ATOM 0 HH22 ARG A 465 -14.596 -21.263 3.968 1.00 74.24 H new ATOM 1014 N SER A 466 -15.882 -27.732 -2.818 1.00 73.22 N ATOM 1015 CA SER A 466 -16.001 -28.787 -3.773 1.00 54.35 C ATOM 1016 C SER A 466 -14.824 -29.759 -3.602 1.00 44.13 C ATOM 1017 O SER A 466 -14.973 -30.976 -3.750 1.00 4.22 O ATOM 1018 CB SER A 466 -15.995 -28.175 -5.164 1.00 3.11 C ATOM 1019 OG SER A 466 -16.987 -27.160 -5.248 1.00 4.11 O ATOM 0 H SER A 466 -15.368 -26.919 -3.158 1.00 73.22 H new ATOM 0 HA SER A 466 -16.929 -29.340 -3.626 1.00 54.35 H new ATOM 0 HB2 SER A 466 -15.013 -27.755 -5.382 1.00 3.11 H new ATOM 0 HB3 SER A 466 -16.186 -28.945 -5.911 1.00 3.11 H new ATOM 0 HG SER A 466 -16.978 -26.767 -6.146 1.00 4.11 H new ATOM 1025 N GLN A 467 -13.672 -29.207 -3.252 1.00 43.12 N ATOM 1026 CA GLN A 467 -12.445 -29.959 -3.097 1.00 2.32 C ATOM 1027 C GLN A 467 -12.538 -30.915 -1.914 1.00 43.34 C ATOM 1028 O GLN A 467 -12.128 -32.064 -2.015 1.00 23.25 O ATOM 1029 CB GLN A 467 -11.235 -29.014 -2.969 1.00 61.04 C ATOM 1030 CG GLN A 467 -9.897 -29.729 -3.009 1.00 64.24 C ATOM 1031 CD GLN A 467 -8.726 -28.783 -2.971 1.00 41.42 C ATOM 1032 OE1 GLN A 467 -8.208 -28.440 -1.901 1.00 22.31 O ATOM 1033 NE2 GLN A 467 -8.303 -28.334 -4.126 1.00 31.10 N ATOM 0 H GLN A 467 -13.566 -28.210 -3.066 1.00 43.12 H new ATOM 0 HA GLN A 467 -12.298 -30.561 -3.993 1.00 2.32 H new ATOM 0 HB2 GLN A 467 -11.270 -28.282 -3.776 1.00 61.04 H new ATOM 0 HB3 GLN A 467 -11.314 -28.461 -2.033 1.00 61.04 H new ATOM 0 HG2 GLN A 467 -9.832 -30.414 -2.164 1.00 64.24 H new ATOM 0 HG3 GLN A 467 -9.840 -30.333 -3.915 1.00 64.24 H new ATOM 0 HE21 GLN A 467 -8.755 -28.639 -4.988 1.00 31.10 H new ATOM 0 HE22 GLN A 467 -7.522 -27.679 -4.164 1.00 31.10 H new ATOM 1042 N GLU A 468 -13.119 -30.454 -0.809 1.00 74.11 N ATOM 1043 CA GLU A 468 -13.311 -31.305 0.377 1.00 32.25 C ATOM 1044 C GLU A 468 -14.336 -32.428 0.171 1.00 51.14 C ATOM 1045 O GLU A 468 -14.561 -33.239 1.076 1.00 4.13 O ATOM 1046 CB GLU A 468 -13.671 -30.507 1.640 1.00 64.30 C ATOM 1047 CG GLU A 468 -12.504 -29.856 2.383 1.00 63.01 C ATOM 1048 CD GLU A 468 -11.820 -28.735 1.658 1.00 53.22 C ATOM 1049 OE1 GLU A 468 -12.141 -27.565 1.944 1.00 45.20 O ATOM 1050 OE2 GLU A 468 -10.928 -28.995 0.842 1.00 35.24 O ATOM 0 H GLU A 468 -13.466 -29.501 -0.704 1.00 74.11 H new ATOM 0 HA GLU A 468 -12.335 -31.767 0.526 1.00 32.25 H new ATOM 0 HB2 GLU A 468 -14.378 -29.726 1.362 1.00 64.30 H new ATOM 0 HB3 GLU A 468 -14.188 -31.173 2.331 1.00 64.30 H new ATOM 0 HG2 GLU A 468 -12.870 -29.478 3.338 1.00 63.01 H new ATOM 0 HG3 GLU A 468 -11.765 -30.625 2.607 1.00 63.01 H new