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 38:sc= 0.0888 USER MOD Single : A 405 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 418 GLN : amide:sc=-0.000716 K(o=-0.00072,f=-0.92) USER MOD Single : A 419 SER OG : rot 180:sc= 0 USER MOD Single : A 437 MET CE :methyl 145:sc= -0.225 (180deg=-0.908) USER MOD Single : A 439 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 442 HIS : no HD1:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 443 TYR OH : rot 180:sc= 0 USER MOD Single : A 445 GLN : amide:sc= -2.13! C(o=-2.1!,f=-7.1!) USER MOD Single : A 446 TYR OH : rot 180:sc= 0 USER MOD Single : A 462 CYS SG : rot 64:sc= 0.0162 USER MOD Single : A 463 GLN : amide:sc= -0.648 X(o=-0.65,f=-0.97) 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 -14.955 -4.652 -5.531 1.00 65.23 N ATOM 11 CA SER A 404 -14.307 -3.521 -4.927 1.00 21.21 C ATOM 12 C SER A 404 -13.587 -3.943 -3.651 1.00 52.41 C ATOM 13 O SER A 404 -13.985 -4.900 -2.985 1.00 60.24 O ATOM 14 CB SER A 404 -15.331 -2.420 -4.642 1.00 14.41 C ATOM 15 OG SER A 404 -16.009 -2.038 -5.832 1.00 22.20 O ATOM 0 HA SER A 404 -13.563 -3.125 -5.619 1.00 21.21 H new ATOM 0 HB2 SER A 404 -16.053 -2.771 -3.904 1.00 14.41 H new ATOM 0 HB3 SER A 404 -14.829 -1.554 -4.210 1.00 14.41 H new ATOM 0 HG SER A 404 -16.168 -2.830 -6.387 1.00 22.20 H new ATOM 21 N LYS A 405 -12.524 -3.242 -3.332 1.00 53.03 N ATOM 22 CA LYS A 405 -11.717 -3.522 -2.154 1.00 32.11 C ATOM 23 C LYS A 405 -12.394 -2.954 -0.897 1.00 4.04 C ATOM 24 O LYS A 405 -12.182 -3.427 0.212 1.00 53.22 O ATOM 25 CB LYS A 405 -10.316 -2.902 -2.335 1.00 3.41 C ATOM 26 CG LYS A 405 -9.348 -3.157 -1.187 1.00 1.21 C ATOM 27 CD LYS A 405 -9.067 -4.640 -1.014 1.00 24.21 C ATOM 28 CE LYS A 405 -8.135 -4.887 0.148 1.00 41.41 C ATOM 29 NZ LYS A 405 -7.821 -6.317 0.304 1.00 25.23 N ATOM 0 H LYS A 405 -12.187 -2.453 -3.884 1.00 53.03 H new ATOM 0 HA LYS A 405 -11.620 -4.601 -2.032 1.00 32.11 H new ATOM 0 HB2 LYS A 405 -9.878 -3.292 -3.254 1.00 3.41 H new ATOM 0 HB3 LYS A 405 -10.425 -1.825 -2.466 1.00 3.41 H new ATOM 0 HG2 LYS A 405 -8.413 -2.628 -1.374 1.00 1.21 H new ATOM 0 HG3 LYS A 405 -9.763 -2.754 -0.263 1.00 1.21 H new ATOM 0 HD2 LYS A 405 -10.003 -5.174 -0.852 1.00 24.21 H new ATOM 0 HD3 LYS A 405 -8.627 -5.038 -1.928 1.00 24.21 H new ATOM 0 HE2 LYS A 405 -7.212 -4.327 -0.001 1.00 41.41 H new ATOM 0 HE3 LYS A 405 -8.590 -4.513 1.065 1.00 41.41 H new ATOM 0 HZ1 LYS A 405 -7.179 -6.445 1.112 1.00 25.23 H new ATOM 0 HZ2 LYS A 405 -8.699 -6.849 0.472 1.00 25.23 H new ATOM 0 HZ3 LYS A 405 -7.363 -6.668 -0.561 1.00 25.23 H new ATOM 43 N ILE A 406 -13.235 -1.972 -1.102 1.00 74.05 N ATOM 44 CA ILE A 406 -13.857 -1.229 -0.020 1.00 51.41 C ATOM 45 C ILE A 406 -15.145 -1.933 0.482 1.00 64.42 C ATOM 46 O ILE A 406 -15.747 -1.503 1.454 1.00 32.51 O ATOM 47 CB ILE A 406 -14.207 0.213 -0.522 1.00 11.20 C ATOM 48 CG1 ILE A 406 -14.686 1.125 0.632 1.00 43.34 C ATOM 49 CG2 ILE A 406 -15.258 0.141 -1.638 1.00 64.05 C ATOM 50 CD1 ILE A 406 -15.046 2.540 0.207 1.00 13.01 C ATOM 0 H ILE A 406 -13.514 -1.658 -2.031 1.00 74.05 H new ATOM 0 HA ILE A 406 -13.155 -1.179 0.812 1.00 51.41 H new ATOM 0 HB ILE A 406 -13.297 0.659 -0.923 1.00 11.20 H new ATOM 0 HG12 ILE A 406 -15.556 0.668 1.103 1.00 43.34 H new ATOM 0 HG13 ILE A 406 -13.903 1.174 1.389 1.00 43.34 H new ATOM 0 HG21 ILE A 406 -15.495 1.148 -1.980 1.00 64.05 H new ATOM 0 HG22 ILE A 406 -14.865 -0.442 -2.471 1.00 64.05 H new ATOM 0 HG23 ILE A 406 -16.162 -0.334 -1.257 1.00 64.05 H new ATOM 0 HD11 ILE A 406 -15.371 3.110 1.077 1.00 13.01 H new ATOM 0 HD12 ILE A 406 -14.173 3.020 -0.236 1.00 13.01 H new ATOM 0 HD13 ILE A 406 -15.852 2.506 -0.526 1.00 13.01 H new ATOM 62 N GLU A 407 -15.505 -3.046 -0.138 1.00 20.53 N ATOM 63 CA GLU A 407 -16.764 -3.739 0.174 1.00 52.14 C ATOM 64 C GLU A 407 -16.867 -4.128 1.665 1.00 44.11 C ATOM 65 O GLU A 407 -17.862 -3.816 2.302 1.00 55.42 O ATOM 66 CB GLU A 407 -16.971 -4.956 -0.730 1.00 31.12 C ATOM 67 CG GLU A 407 -17.043 -4.625 -2.205 1.00 2.53 C ATOM 68 CD GLU A 407 -18.212 -3.737 -2.563 1.00 71.41 C ATOM 69 OE1 GLU A 407 -18.115 -2.504 -2.422 1.00 1.52 O ATOM 70 OE2 GLU A 407 -19.241 -4.266 -3.028 1.00 62.50 O ATOM 0 H GLU A 407 -14.947 -3.497 -0.864 1.00 20.53 H new ATOM 0 HA GLU A 407 -17.568 -3.031 -0.026 1.00 52.14 H new ATOM 0 HB2 GLU A 407 -16.155 -5.660 -0.566 1.00 31.12 H new ATOM 0 HB3 GLU A 407 -17.891 -5.461 -0.437 1.00 31.12 H new ATOM 0 HG2 GLU A 407 -16.117 -4.134 -2.505 1.00 2.53 H new ATOM 0 HG3 GLU A 407 -17.112 -5.552 -2.775 1.00 2.53 H new ATOM 77 N PRO A 408 -15.838 -4.792 2.264 1.00 61.32 N ATOM 78 CA PRO A 408 -15.862 -5.127 3.698 1.00 23.54 C ATOM 79 C PRO A 408 -15.841 -3.874 4.610 1.00 24.43 C ATOM 80 O PRO A 408 -16.094 -3.965 5.816 1.00 74.12 O ATOM 81 CB PRO A 408 -14.572 -5.941 3.893 1.00 71.21 C ATOM 82 CG PRO A 408 -13.696 -5.527 2.761 1.00 30.25 C ATOM 83 CD PRO A 408 -14.613 -5.319 1.613 1.00 12.32 C ATOM 0 HA PRO A 408 -16.774 -5.659 3.969 1.00 23.54 H new ATOM 0 HB2 PRO A 408 -14.107 -5.724 4.855 1.00 71.21 H new ATOM 0 HB3 PRO A 408 -14.771 -7.012 3.870 1.00 71.21 H new ATOM 0 HG2 PRO A 408 -13.150 -4.614 2.999 1.00 30.25 H new ATOM 0 HG3 PRO A 408 -12.953 -6.293 2.538 1.00 30.25 H new ATOM 0 HD2 PRO A 408 -14.203 -4.613 0.890 1.00 12.32 H new ATOM 0 HD3 PRO A 408 -14.807 -6.248 1.077 1.00 12.32 H new ATOM 91 N VAL A 409 -15.548 -2.719 4.027 1.00 63.53 N ATOM 92 CA VAL A 409 -15.423 -1.486 4.782 1.00 12.41 C ATOM 93 C VAL A 409 -16.712 -0.637 4.691 1.00 5.11 C ATOM 94 O VAL A 409 -16.998 0.164 5.576 1.00 10.30 O ATOM 95 CB VAL A 409 -14.206 -0.648 4.264 1.00 64.13 C ATOM 96 CG1 VAL A 409 -13.979 0.606 5.100 1.00 5.40 C ATOM 97 CG2 VAL A 409 -12.939 -1.492 4.222 1.00 12.34 C ATOM 0 H VAL A 409 -15.392 -2.614 3.025 1.00 63.53 H new ATOM 0 HA VAL A 409 -15.260 -1.755 5.826 1.00 12.41 H new ATOM 0 HB VAL A 409 -14.448 -0.331 3.250 1.00 64.13 H new ATOM 0 HG11 VAL A 409 -13.125 1.157 4.705 1.00 5.40 H new ATOM 0 HG12 VAL A 409 -14.868 1.236 5.060 1.00 5.40 H new ATOM 0 HG13 VAL A 409 -13.782 0.323 6.134 1.00 5.40 H new ATOM 0 HG21 VAL A 409 -12.110 -0.885 3.859 1.00 12.34 H new ATOM 0 HG22 VAL A 409 -12.711 -1.856 5.224 1.00 12.34 H new ATOM 0 HG23 VAL A 409 -13.089 -2.340 3.553 1.00 12.34 H new ATOM 107 N VAL A 410 -17.502 -0.839 3.639 1.00 72.03 N ATOM 108 CA VAL A 410 -18.687 -0.004 3.423 1.00 64.33 C ATOM 109 C VAL A 410 -19.783 -0.218 4.463 1.00 74.42 C ATOM 110 O VAL A 410 -20.383 0.742 4.919 1.00 1.31 O ATOM 111 CB VAL A 410 -19.276 -0.096 1.978 1.00 44.23 C ATOM 112 CG1 VAL A 410 -18.239 0.282 0.955 1.00 61.51 C ATOM 113 CG2 VAL A 410 -19.860 -1.466 1.670 1.00 60.35 C ATOM 0 H VAL A 410 -17.350 -1.559 2.933 1.00 72.03 H new ATOM 0 HA VAL A 410 -18.309 1.011 3.549 1.00 64.33 H new ATOM 0 HB VAL A 410 -20.099 0.617 1.927 1.00 44.23 H new ATOM 0 HG11 VAL A 410 -18.670 0.211 -0.044 1.00 61.51 H new ATOM 0 HG12 VAL A 410 -17.906 1.304 1.135 1.00 61.51 H new ATOM 0 HG13 VAL A 410 -17.388 -0.395 1.032 1.00 61.51 H new ATOM 0 HG21 VAL A 410 -20.255 -1.473 0.654 1.00 60.35 H new ATOM 0 HG22 VAL A 410 -19.081 -2.223 1.762 1.00 60.35 H new ATOM 0 HG23 VAL A 410 -20.664 -1.685 2.373 1.00 60.35 H new ATOM 123 N LEU A 411 -20.012 -1.471 4.858 1.00 51.53 N ATOM 124 CA LEU A 411 -21.078 -1.791 5.822 1.00 0.22 C ATOM 125 C LEU A 411 -20.964 -1.013 7.143 1.00 52.41 C ATOM 126 O LEU A 411 -21.892 -0.285 7.493 1.00 60.13 O ATOM 127 CB LEU A 411 -21.237 -3.313 6.102 1.00 2.43 C ATOM 128 CG LEU A 411 -21.743 -4.225 4.959 1.00 50.54 C ATOM 129 CD1 LEU A 411 -23.061 -3.726 4.385 1.00 54.12 C ATOM 130 CD2 LEU A 411 -20.698 -4.418 3.872 1.00 30.31 C ATOM 0 H LEU A 411 -19.481 -2.278 4.531 1.00 51.53 H new ATOM 0 HA LEU A 411 -21.986 -1.458 5.320 1.00 0.22 H new ATOM 0 HB2 LEU A 411 -20.268 -3.694 6.425 1.00 2.43 H new ATOM 0 HB3 LEU A 411 -21.921 -3.426 6.943 1.00 2.43 H new ATOM 0 HG LEU A 411 -21.927 -5.206 5.398 1.00 50.54 H new ATOM 0 HD11 LEU A 411 -23.385 -4.392 3.585 1.00 54.12 H new ATOM 0 HD12 LEU A 411 -23.817 -3.708 5.170 1.00 54.12 H new ATOM 0 HD13 LEU A 411 -22.927 -2.720 3.988 1.00 54.12 H new ATOM 0 HD21 LEU A 411 -21.099 -5.065 3.092 1.00 30.31 H new ATOM 0 HD22 LEU A 411 -20.437 -3.451 3.442 1.00 30.31 H new ATOM 0 HD23 LEU A 411 -19.807 -4.877 4.301 1.00 30.31 H new ATOM 142 N PRO A 412 -19.826 -1.130 7.892 1.00 74.22 N ATOM 143 CA PRO A 412 -19.678 -0.464 9.184 1.00 2.53 C ATOM 144 C PRO A 412 -19.760 1.066 9.085 1.00 25.30 C ATOM 145 O PRO A 412 -20.250 1.728 9.998 1.00 62.41 O ATOM 146 CB PRO A 412 -18.293 -0.900 9.677 1.00 53.22 C ATOM 147 CG PRO A 412 -17.575 -1.336 8.453 1.00 60.40 C ATOM 148 CD PRO A 412 -18.618 -1.924 7.563 1.00 43.24 C ATOM 0 HA PRO A 412 -20.486 -0.741 9.861 1.00 2.53 H new ATOM 0 HB2 PRO A 412 -17.772 -0.079 10.170 1.00 53.22 H new ATOM 0 HB3 PRO A 412 -18.368 -1.711 10.402 1.00 53.22 H new ATOM 0 HG2 PRO A 412 -17.077 -0.495 7.970 1.00 60.40 H new ATOM 0 HG3 PRO A 412 -16.804 -2.069 8.691 1.00 60.40 H new ATOM 0 HD2 PRO A 412 -18.349 -1.832 6.511 1.00 43.24 H new ATOM 0 HD3 PRO A 412 -18.766 -2.985 7.762 1.00 43.24 H new ATOM 156 N LEU A 413 -19.294 1.617 7.978 1.00 13.14 N ATOM 157 CA LEU A 413 -19.311 3.053 7.788 1.00 40.42 C ATOM 158 C LEU A 413 -20.707 3.542 7.466 1.00 35.15 C ATOM 159 O LEU A 413 -21.153 4.581 7.980 1.00 43.24 O ATOM 160 CB LEU A 413 -18.353 3.466 6.688 1.00 54.45 C ATOM 161 CG LEU A 413 -16.890 3.079 6.897 1.00 62.30 C ATOM 162 CD1 LEU A 413 -16.052 3.644 5.790 1.00 3.03 C ATOM 163 CD2 LEU A 413 -16.377 3.545 8.257 1.00 1.21 C ATOM 0 H LEU A 413 -18.900 1.090 7.198 1.00 13.14 H new ATOM 0 HA LEU A 413 -18.988 3.511 8.723 1.00 40.42 H new ATOM 0 HB2 LEU A 413 -18.695 3.026 5.751 1.00 54.45 H new ATOM 0 HB3 LEU A 413 -18.409 4.548 6.571 1.00 54.45 H new ATOM 0 HG LEU A 413 -16.817 1.992 6.879 1.00 62.30 H new ATOM 0 HD11 LEU A 413 -15.010 3.365 5.944 1.00 3.03 H new ATOM 0 HD12 LEU A 413 -16.396 3.248 4.835 1.00 3.03 H new ATOM 0 HD13 LEU A 413 -16.140 4.730 5.785 1.00 3.03 H new ATOM 0 HD21 LEU A 413 -15.333 3.253 8.372 1.00 1.21 H new ATOM 0 HD22 LEU A 413 -16.460 4.630 8.325 1.00 1.21 H new ATOM 0 HD23 LEU A 413 -16.971 3.086 9.047 1.00 1.21 H new ATOM 175 N LEU A 414 -21.404 2.758 6.655 1.00 12.24 N ATOM 176 CA LEU A 414 -22.743 3.073 6.178 1.00 12.42 C ATOM 177 C LEU A 414 -23.707 3.333 7.323 1.00 45.31 C ATOM 178 O LEU A 414 -24.576 4.196 7.214 1.00 15.15 O ATOM 179 CB LEU A 414 -23.257 1.932 5.293 1.00 24.22 C ATOM 180 CG LEU A 414 -24.676 2.061 4.740 1.00 43.32 C ATOM 181 CD1 LEU A 414 -24.821 3.308 3.881 1.00 2.43 C ATOM 182 CD2 LEU A 414 -25.032 0.819 3.945 1.00 44.25 C ATOM 0 H LEU A 414 -21.048 1.869 6.304 1.00 12.24 H new ATOM 0 HA LEU A 414 -22.685 3.991 5.592 1.00 12.42 H new ATOM 0 HB2 LEU A 414 -22.574 1.825 4.450 1.00 24.22 H new ATOM 0 HB3 LEU A 414 -23.201 1.007 5.868 1.00 24.22 H new ATOM 0 HG LEU A 414 -25.366 2.157 5.578 1.00 43.32 H new ATOM 0 HD11 LEU A 414 -25.841 3.372 3.502 1.00 2.43 H new ATOM 0 HD12 LEU A 414 -24.601 4.191 4.481 1.00 2.43 H new ATOM 0 HD13 LEU A 414 -24.125 3.256 3.043 1.00 2.43 H new ATOM 0 HD21 LEU A 414 -26.044 0.916 3.553 1.00 44.25 H new ATOM 0 HD22 LEU A 414 -24.332 0.704 3.118 1.00 44.25 H new ATOM 0 HD23 LEU A 414 -24.976 -0.056 4.593 1.00 44.25 H new ATOM 194 N TRP A 415 -23.534 2.615 8.429 1.00 54.51 N ATOM 195 CA TRP A 415 -24.407 2.780 9.588 1.00 4.22 C ATOM 196 C TRP A 415 -24.366 4.221 10.087 1.00 41.43 C ATOM 197 O TRP A 415 -25.393 4.804 10.445 1.00 31.13 O ATOM 198 CB TRP A 415 -24.008 1.856 10.733 1.00 24.54 C ATOM 199 CG TRP A 415 -23.925 0.406 10.378 1.00 4.12 C ATOM 200 CD1 TRP A 415 -22.844 -0.389 10.526 1.00 64.14 C ATOM 201 CD2 TRP A 415 -24.950 -0.415 9.799 1.00 11.33 C ATOM 202 NE1 TRP A 415 -23.120 -1.658 10.099 1.00 1.21 N ATOM 203 CE2 TRP A 415 -24.404 -1.704 9.644 1.00 12.11 C ATOM 204 CE3 TRP A 415 -26.270 -0.193 9.407 1.00 62.13 C ATOM 205 CZ2 TRP A 415 -25.129 -2.760 9.108 1.00 63.41 C ATOM 206 CZ3 TRP A 415 -26.986 -1.243 8.874 1.00 65.43 C ATOM 207 CH2 TRP A 415 -26.417 -2.513 8.732 1.00 21.15 C ATOM 0 H TRP A 415 -22.801 1.916 8.548 1.00 54.51 H new ATOM 0 HA TRP A 415 -25.416 2.523 9.264 1.00 4.22 H new ATOM 0 HB2 TRP A 415 -23.039 2.176 11.117 1.00 24.54 H new ATOM 0 HB3 TRP A 415 -24.727 1.975 11.543 1.00 24.54 H new ATOM 0 HD1 TRP A 415 -21.894 -0.067 10.926 1.00 64.14 H new ATOM 0 HE1 TRP A 415 -22.470 -2.444 10.118 1.00 1.21 H new ATOM 0 HE3 TRP A 415 -26.722 0.782 9.519 1.00 62.13 H new ATOM 0 HZ2 TRP A 415 -24.690 -3.740 8.993 1.00 63.41 H new ATOM 0 HZ3 TRP A 415 -28.007 -1.082 8.560 1.00 65.43 H new ATOM 0 HH2 TRP A 415 -27.010 -3.315 8.316 1.00 21.15 H new ATOM 218 N PHE A 416 -23.181 4.795 10.103 1.00 30.32 N ATOM 219 CA PHE A 416 -23.009 6.168 10.542 1.00 74.15 C ATOM 220 C PHE A 416 -23.528 7.126 9.492 1.00 33.41 C ATOM 221 O PHE A 416 -24.128 8.163 9.809 1.00 32.51 O ATOM 222 CB PHE A 416 -21.542 6.487 10.853 1.00 45.02 C ATOM 223 CG PHE A 416 -20.953 5.733 12.006 1.00 70.24 C ATOM 224 CD1 PHE A 416 -20.418 4.470 11.831 1.00 4.10 C ATOM 225 CD2 PHE A 416 -20.917 6.300 13.268 1.00 20.32 C ATOM 226 CE1 PHE A 416 -19.860 3.787 12.891 1.00 54.32 C ATOM 227 CE2 PHE A 416 -20.364 5.621 14.332 1.00 5.11 C ATOM 228 CZ PHE A 416 -19.834 4.363 14.142 1.00 63.25 C ATOM 0 H PHE A 416 -22.319 4.332 9.816 1.00 30.32 H new ATOM 0 HA PHE A 416 -23.583 6.289 11.461 1.00 74.15 H new ATOM 0 HB2 PHE A 416 -20.946 6.282 9.964 1.00 45.02 H new ATOM 0 HB3 PHE A 416 -21.455 7.554 11.056 1.00 45.02 H new ATOM 0 HD1 PHE A 416 -20.437 4.013 10.853 1.00 4.10 H new ATOM 0 HD2 PHE A 416 -21.328 7.287 13.421 1.00 20.32 H new ATOM 0 HE1 PHE A 416 -19.444 2.802 12.741 1.00 54.32 H new ATOM 0 HE2 PHE A 416 -20.346 6.074 15.312 1.00 5.11 H new ATOM 0 HZ PHE A 416 -19.398 3.829 14.974 1.00 63.25 H new ATOM 238 N GLU A 417 -23.320 6.764 8.252 1.00 12.41 N ATOM 239 CA GLU A 417 -23.686 7.585 7.117 1.00 72.23 C ATOM 240 C GLU A 417 -25.162 7.755 7.002 1.00 2.03 C ATOM 241 O GLU A 417 -25.630 8.756 6.467 1.00 22.32 O ATOM 242 CB GLU A 417 -23.162 6.992 5.856 1.00 14.41 C ATOM 243 CG GLU A 417 -21.663 6.874 5.835 1.00 60.05 C ATOM 244 CD GLU A 417 -21.143 6.365 4.541 1.00 21.32 C ATOM 245 OE1 GLU A 417 -20.111 6.890 4.073 1.00 43.04 O ATOM 246 OE2 GLU A 417 -21.774 5.483 3.960 1.00 20.14 O ATOM 0 H GLU A 417 -22.885 5.878 7.994 1.00 12.41 H new ATOM 0 HA GLU A 417 -23.241 8.567 7.279 1.00 72.23 H new ATOM 0 HB2 GLU A 417 -23.600 6.003 5.718 1.00 14.41 H new ATOM 0 HB3 GLU A 417 -23.484 7.604 5.013 1.00 14.41 H new ATOM 0 HG2 GLU A 417 -21.224 7.850 6.039 1.00 60.05 H new ATOM 0 HG3 GLU A 417 -21.345 6.208 6.637 1.00 60.05 H new ATOM 253 N GLN A 418 -25.900 6.782 7.513 1.00 44.40 N ATOM 254 CA GLN A 418 -27.352 6.822 7.490 1.00 33.23 C ATOM 255 C GLN A 418 -27.850 8.104 8.159 1.00 12.40 C ATOM 256 O GLN A 418 -28.782 8.753 7.695 1.00 23.24 O ATOM 257 CB GLN A 418 -27.938 5.650 8.258 1.00 73.51 C ATOM 258 CG GLN A 418 -27.526 4.279 7.800 1.00 72.34 C ATOM 259 CD GLN A 418 -28.175 3.203 8.642 1.00 34.33 C ATOM 260 OE1 GLN A 418 -28.460 3.416 9.824 1.00 3.30 O ATOM 261 NE2 GLN A 418 -28.411 2.058 8.068 1.00 33.22 N ATOM 0 H GLN A 418 -25.511 5.948 7.953 1.00 44.40 H new ATOM 0 HA GLN A 418 -27.665 6.780 6.447 1.00 33.23 H new ATOM 0 HB2 GLN A 418 -27.663 5.757 9.307 1.00 73.51 H new ATOM 0 HB3 GLN A 418 -29.025 5.716 8.205 1.00 73.51 H new ATOM 0 HG2 GLN A 418 -27.803 4.143 6.755 1.00 72.34 H new ATOM 0 HG3 GLN A 418 -26.442 4.184 7.857 1.00 72.34 H new ATOM 0 HE21 GLN A 418 -28.162 1.917 7.089 1.00 33.22 H new ATOM 0 HE22 GLN A 418 -28.845 1.302 8.598 1.00 33.22 H new ATOM 270 N SER A 419 -27.198 8.447 9.244 1.00 75.44 N ATOM 271 CA SER A 419 -27.536 9.598 10.041 1.00 11.35 C ATOM 272 C SER A 419 -26.728 10.826 9.580 1.00 14.13 C ATOM 273 O SER A 419 -27.091 11.973 9.863 1.00 11.13 O ATOM 274 CB SER A 419 -27.223 9.266 11.518 1.00 63.32 C ATOM 275 OG SER A 419 -27.514 10.338 12.389 1.00 24.00 O ATOM 0 H SER A 419 -26.401 7.922 9.604 1.00 75.44 H new ATOM 0 HA SER A 419 -28.594 9.836 9.928 1.00 11.35 H new ATOM 0 HB2 SER A 419 -27.799 8.391 11.820 1.00 63.32 H new ATOM 0 HB3 SER A 419 -26.170 9.002 11.612 1.00 63.32 H new ATOM 0 HG SER A 419 -27.301 10.079 13.310 1.00 24.00 H new ATOM 281 N GLY A 420 -25.676 10.580 8.817 1.00 45.32 N ATOM 282 CA GLY A 420 -24.756 11.640 8.444 1.00 10.34 C ATOM 283 C GLY A 420 -23.735 11.851 9.539 1.00 72.51 C ATOM 284 O GLY A 420 -22.972 12.813 9.534 1.00 41.02 O ATOM 0 H GLY A 420 -25.439 9.660 8.446 1.00 45.32 H new ATOM 0 HA2 GLY A 420 -24.253 11.384 7.511 1.00 10.34 H new ATOM 0 HA3 GLY A 420 -25.306 12.564 8.266 1.00 10.34 H new ATOM 288 N ALA A 421 -23.696 10.888 10.445 1.00 2.34 N ATOM 289 CA ALA A 421 -22.817 10.877 11.602 1.00 60.41 C ATOM 290 C ALA A 421 -21.374 10.708 11.179 1.00 72.03 C ATOM 291 O ALA A 421 -20.451 11.056 11.905 1.00 51.22 O ATOM 292 CB ALA A 421 -23.218 9.765 12.541 1.00 70.03 C ATOM 0 H ALA A 421 -24.296 10.065 10.393 1.00 2.34 H new ATOM 0 HA ALA A 421 -22.911 11.833 12.118 1.00 60.41 H new ATOM 0 HB1 ALA A 421 -22.555 9.762 13.406 1.00 70.03 H new ATOM 0 HB2 ALA A 421 -24.245 9.920 12.871 1.00 70.03 H new ATOM 0 HB3 ALA A 421 -23.144 8.808 12.024 1.00 70.03 H new ATOM 535 N MET A 437 -14.025 12.249 -10.554 1.00 50.34 N ATOM 536 CA MET A 437 -12.880 12.891 -9.955 1.00 1.52 C ATOM 537 C MET A 437 -11.573 12.280 -10.488 1.00 53.14 C ATOM 538 O MET A 437 -11.243 11.133 -10.164 1.00 64.41 O ATOM 539 CB MET A 437 -12.957 12.756 -8.440 1.00 45.22 C ATOM 540 CG MET A 437 -12.033 13.682 -7.693 1.00 54.51 C ATOM 541 SD MET A 437 -12.423 15.419 -8.010 1.00 2.22 S ATOM 542 CE MET A 437 -14.146 15.496 -7.469 1.00 24.44 C ATOM 0 HA MET A 437 -12.886 13.948 -10.220 1.00 1.52 H new ATOM 0 HB2 MET A 437 -13.982 12.947 -8.120 1.00 45.22 H new ATOM 0 HB3 MET A 437 -12.724 11.727 -8.165 1.00 45.22 H new ATOM 0 HG2 MET A 437 -12.105 13.483 -6.624 1.00 54.51 H new ATOM 0 HG3 MET A 437 -11.002 13.481 -7.986 1.00 54.51 H new ATOM 0 HE1 MET A 437 -14.342 16.468 -7.016 1.00 24.44 H new ATOM 0 HE2 MET A 437 -14.803 15.357 -8.327 1.00 24.44 H new ATOM 0 HE3 MET A 437 -14.333 14.710 -6.737 1.00 24.44 H new ATOM 552 N PRO A 438 -10.814 13.049 -11.311 1.00 75.05 N ATOM 553 CA PRO A 438 -9.575 12.578 -11.971 1.00 43.21 C ATOM 554 C PRO A 438 -8.563 11.938 -11.019 1.00 3.34 C ATOM 555 O PRO A 438 -7.961 10.911 -11.346 1.00 62.14 O ATOM 556 CB PRO A 438 -8.988 13.854 -12.569 1.00 54.20 C ATOM 557 CG PRO A 438 -10.162 14.733 -12.798 1.00 13.12 C ATOM 558 CD PRO A 438 -11.116 14.450 -11.676 1.00 64.45 C ATOM 0 HA PRO A 438 -9.798 11.793 -12.693 1.00 43.21 H new ATOM 0 HB2 PRO A 438 -8.272 14.317 -11.890 1.00 54.20 H new ATOM 0 HB3 PRO A 438 -8.458 13.649 -13.499 1.00 54.20 H new ATOM 0 HG2 PRO A 438 -9.868 15.783 -12.805 1.00 13.12 H new ATOM 0 HG3 PRO A 438 -10.623 14.525 -13.764 1.00 13.12 H new ATOM 0 HD2 PRO A 438 -10.959 15.126 -10.836 1.00 64.45 H new ATOM 0 HD3 PRO A 438 -12.153 14.568 -11.991 1.00 64.45 H new ATOM 566 N GLN A 439 -8.379 12.532 -9.845 1.00 0.22 N ATOM 567 CA GLN A 439 -7.423 12.002 -8.882 1.00 22.45 C ATOM 568 C GLN A 439 -7.837 10.625 -8.378 1.00 1.44 C ATOM 569 O GLN A 439 -7.015 9.719 -8.302 1.00 13.41 O ATOM 570 CB GLN A 439 -7.159 12.981 -7.724 1.00 22.54 C ATOM 571 CG GLN A 439 -8.374 13.356 -6.892 1.00 43.54 C ATOM 572 CD GLN A 439 -8.044 14.373 -5.823 1.00 11.21 C ATOM 573 OE1 GLN A 439 -7.149 15.201 -5.991 1.00 50.34 O ATOM 574 NE2 GLN A 439 -8.743 14.317 -4.728 1.00 74.32 N ATOM 0 H GLN A 439 -8.873 13.371 -9.540 1.00 0.22 H new ATOM 0 HA GLN A 439 -6.477 11.882 -9.410 1.00 22.45 H new ATOM 0 HB2 GLN A 439 -6.411 12.542 -7.064 1.00 22.54 H new ATOM 0 HB3 GLN A 439 -6.726 13.893 -8.135 1.00 22.54 H new ATOM 0 HG2 GLN A 439 -9.149 13.757 -7.545 1.00 43.54 H new ATOM 0 HG3 GLN A 439 -8.782 12.460 -6.425 1.00 43.54 H new ATOM 0 HE21 GLN A 439 -9.477 13.616 -4.627 1.00 74.32 H new ATOM 0 HE22 GLN A 439 -8.558 14.974 -3.970 1.00 74.32 H new ATOM 583 N VAL A 440 -9.126 10.455 -8.106 1.00 52.42 N ATOM 584 CA VAL A 440 -9.643 9.188 -7.610 1.00 72.54 C ATOM 585 C VAL A 440 -9.491 8.125 -8.673 1.00 61.22 C ATOM 586 O VAL A 440 -9.161 6.985 -8.379 1.00 72.03 O ATOM 587 CB VAL A 440 -11.125 9.286 -7.189 1.00 41.52 C ATOM 588 CG1 VAL A 440 -11.612 7.952 -6.641 1.00 71.23 C ATOM 589 CG2 VAL A 440 -11.307 10.379 -6.159 1.00 51.13 C ATOM 0 H VAL A 440 -9.833 11.182 -8.221 1.00 52.42 H new ATOM 0 HA VAL A 440 -9.065 8.924 -6.725 1.00 72.54 H new ATOM 0 HB VAL A 440 -11.720 9.535 -8.068 1.00 41.52 H new ATOM 0 HG11 VAL A 440 -12.659 8.039 -6.349 1.00 71.23 H new ATOM 0 HG12 VAL A 440 -11.512 7.185 -7.409 1.00 71.23 H new ATOM 0 HG13 VAL A 440 -11.015 7.676 -5.772 1.00 71.23 H new ATOM 0 HG21 VAL A 440 -12.357 10.437 -5.871 1.00 51.13 H new ATOM 0 HG22 VAL A 440 -10.702 10.155 -5.280 1.00 51.13 H new ATOM 0 HG23 VAL A 440 -10.994 11.333 -6.582 1.00 51.13 H new ATOM 599 N LEU A 441 -9.698 8.524 -9.914 1.00 0.12 N ATOM 600 CA LEU A 441 -9.543 7.639 -11.059 1.00 64.10 C ATOM 601 C LEU A 441 -8.125 7.085 -11.137 1.00 34.40 C ATOM 602 O LEU A 441 -7.912 5.962 -11.595 1.00 23.54 O ATOM 603 CB LEU A 441 -9.912 8.360 -12.350 1.00 44.53 C ATOM 604 CG LEU A 441 -11.354 8.861 -12.442 1.00 4.43 C ATOM 605 CD1 LEU A 441 -11.568 9.618 -13.734 1.00 4.11 C ATOM 606 CD2 LEU A 441 -12.329 7.698 -12.337 1.00 43.32 C ATOM 0 H LEU A 441 -9.979 9.473 -10.160 1.00 0.12 H new ATOM 0 HA LEU A 441 -10.224 6.798 -10.928 1.00 64.10 H new ATOM 0 HB2 LEU A 441 -9.243 9.211 -12.473 1.00 44.53 H new ATOM 0 HB3 LEU A 441 -9.727 7.686 -13.186 1.00 44.53 H new ATOM 0 HG LEU A 441 -11.538 9.540 -11.610 1.00 4.43 H new ATOM 0 HD11 LEU A 441 -12.599 9.968 -13.784 1.00 4.11 H new ATOM 0 HD12 LEU A 441 -10.893 10.473 -13.771 1.00 4.11 H new ATOM 0 HD13 LEU A 441 -11.367 8.960 -14.579 1.00 4.11 H new ATOM 0 HD21 LEU A 441 -13.350 8.072 -12.404 1.00 43.32 H new ATOM 0 HD22 LEU A 441 -12.146 6.995 -13.150 1.00 43.32 H new ATOM 0 HD23 LEU A 441 -12.190 7.192 -11.382 1.00 43.32 H new ATOM 618 N HIS A 442 -7.165 7.866 -10.681 1.00 14.14 N ATOM 619 CA HIS A 442 -5.780 7.431 -10.675 1.00 52.15 C ATOM 620 C HIS A 442 -5.579 6.358 -9.617 1.00 45.51 C ATOM 621 O HIS A 442 -4.864 5.383 -9.841 1.00 73.43 O ATOM 622 CB HIS A 442 -4.811 8.599 -10.460 1.00 70.13 C ATOM 623 CG HIS A 442 -4.909 9.674 -11.504 1.00 21.22 C ATOM 624 ND1 HIS A 442 -4.652 10.997 -11.243 1.00 72.23 N ATOM 625 CD2 HIS A 442 -5.231 9.613 -12.819 1.00 12.41 C ATOM 626 CE1 HIS A 442 -4.811 11.701 -12.341 1.00 2.44 C ATOM 627 NE2 HIS A 442 -5.162 10.884 -13.313 1.00 73.10 N ATOM 0 H HIS A 442 -7.317 8.804 -10.310 1.00 14.14 H new ATOM 0 HA HIS A 442 -5.556 7.012 -11.656 1.00 52.15 H new ATOM 0 HB2 HIS A 442 -5.000 9.039 -9.481 1.00 70.13 H new ATOM 0 HB3 HIS A 442 -3.791 8.214 -10.444 1.00 70.13 H new ATOM 0 HD2 HIS A 442 -5.493 8.724 -13.373 1.00 12.41 H new ATOM 0 HE1 HIS A 442 -4.677 12.769 -12.431 1.00 2.44 H new ATOM 0 HE2 HIS A 442 -5.351 11.157 -14.278 1.00 73.10 H new ATOM 636 N TYR A 443 -6.237 6.526 -8.474 1.00 13.41 N ATOM 637 CA TYR A 443 -6.190 5.531 -7.404 1.00 55.53 C ATOM 638 C TYR A 443 -6.950 4.284 -7.814 1.00 45.11 C ATOM 639 O TYR A 443 -6.593 3.181 -7.443 1.00 35.13 O ATOM 640 CB TYR A 443 -6.773 6.075 -6.095 1.00 52.14 C ATOM 641 CG TYR A 443 -5.972 7.185 -5.451 1.00 10.41 C ATOM 642 CD1 TYR A 443 -4.886 6.894 -4.643 1.00 41.42 C ATOM 643 CD2 TYR A 443 -6.312 8.513 -5.629 1.00 73.44 C ATOM 644 CE1 TYR A 443 -4.162 7.898 -4.032 1.00 40.00 C ATOM 645 CE2 TYR A 443 -5.593 9.525 -5.029 1.00 14.24 C ATOM 646 CZ TYR A 443 -4.521 9.213 -4.232 1.00 65.35 C ATOM 647 OH TYR A 443 -3.805 10.223 -3.617 1.00 5.31 O ATOM 0 H TYR A 443 -6.810 7.343 -8.263 1.00 13.41 H new ATOM 0 HA TYR A 443 -5.142 5.286 -7.234 1.00 55.53 H new ATOM 0 HB2 TYR A 443 -7.782 6.440 -6.288 1.00 52.14 H new ATOM 0 HB3 TYR A 443 -6.862 5.253 -5.385 1.00 52.14 H new ATOM 0 HD1 TYR A 443 -4.600 5.864 -4.488 1.00 41.42 H new ATOM 0 HD2 TYR A 443 -7.159 8.763 -6.251 1.00 73.44 H new ATOM 0 HE1 TYR A 443 -3.320 7.654 -3.401 1.00 40.00 H new ATOM 0 HE2 TYR A 443 -5.872 10.557 -5.185 1.00 14.24 H new ATOM 0 HH TYR A 443 -4.187 11.091 -3.863 1.00 5.31 H new ATOM 657 N ALA A 444 -7.993 4.481 -8.595 1.00 31.21 N ATOM 658 CA ALA A 444 -8.825 3.393 -9.112 1.00 34.42 C ATOM 659 C ALA A 444 -7.992 2.443 -9.958 1.00 33.11 C ATOM 660 O ALA A 444 -8.232 1.240 -9.979 1.00 75.21 O ATOM 661 CB ALA A 444 -9.995 3.941 -9.914 1.00 11.03 C ATOM 0 H ALA A 444 -8.297 5.407 -8.896 1.00 31.21 H new ATOM 0 HA ALA A 444 -9.227 2.838 -8.265 1.00 34.42 H new ATOM 0 HB1 ALA A 444 -10.599 3.114 -10.288 1.00 11.03 H new ATOM 0 HB2 ALA A 444 -10.607 4.578 -9.276 1.00 11.03 H new ATOM 0 HB3 ALA A 444 -9.619 4.524 -10.754 1.00 11.03 H new ATOM 667 N GLN A 445 -7.008 2.999 -10.651 1.00 15.41 N ATOM 668 CA GLN A 445 -6.066 2.206 -11.425 1.00 51.01 C ATOM 669 C GLN A 445 -5.278 1.302 -10.476 1.00 1.43 C ATOM 670 O GLN A 445 -5.106 0.125 -10.728 1.00 31.51 O ATOM 671 CB GLN A 445 -5.125 3.123 -12.198 1.00 55.14 C ATOM 672 CG GLN A 445 -5.833 4.014 -13.206 1.00 32.23 C ATOM 673 CD GLN A 445 -4.908 5.022 -13.843 1.00 4.11 C ATOM 674 OE1 GLN A 445 -4.748 6.137 -13.341 1.00 33.44 O ATOM 675 NE2 GLN A 445 -4.286 4.653 -14.922 1.00 44.41 N ATOM 0 H GLN A 445 -6.842 4.004 -10.692 1.00 15.41 H new ATOM 0 HA GLN A 445 -6.605 1.588 -12.143 1.00 51.01 H new ATOM 0 HB2 GLN A 445 -4.581 3.750 -11.492 1.00 55.14 H new ATOM 0 HB3 GLN A 445 -4.386 2.515 -12.720 1.00 55.14 H new ATOM 0 HG2 GLN A 445 -6.278 3.393 -13.984 1.00 32.23 H new ATOM 0 HG3 GLN A 445 -6.650 4.539 -12.710 1.00 32.23 H new ATOM 0 HE21 GLN A 445 -4.444 3.722 -15.309 1.00 44.41 H new ATOM 0 HE22 GLN A 445 -3.640 5.294 -15.383 1.00 44.41 H new ATOM 684 N TYR A 446 -4.851 1.867 -9.360 1.00 1.25 N ATOM 685 CA TYR A 446 -4.142 1.121 -8.325 1.00 11.34 C ATOM 686 C TYR A 446 -5.031 0.049 -7.699 1.00 33.45 C ATOM 687 O TYR A 446 -4.576 -1.064 -7.403 1.00 71.10 O ATOM 688 CB TYR A 446 -3.580 2.067 -7.258 1.00 40.21 C ATOM 689 CG TYR A 446 -2.381 2.860 -7.724 1.00 22.01 C ATOM 690 CD1 TYR A 446 -2.521 4.103 -8.316 1.00 32.04 C ATOM 691 CD2 TYR A 446 -1.102 2.350 -7.571 1.00 64.04 C ATOM 692 CE1 TYR A 446 -1.419 4.816 -8.744 1.00 4.02 C ATOM 693 CE2 TYR A 446 0.001 3.055 -7.993 1.00 53.53 C ATOM 694 CZ TYR A 446 -0.161 4.285 -8.579 1.00 54.43 C ATOM 695 OH TYR A 446 0.947 4.990 -9.008 1.00 44.55 O ATOM 0 H TYR A 446 -4.984 2.855 -9.142 1.00 1.25 H new ATOM 0 HA TYR A 446 -3.304 0.611 -8.800 1.00 11.34 H new ATOM 0 HB2 TYR A 446 -4.364 2.758 -6.948 1.00 40.21 H new ATOM 0 HB3 TYR A 446 -3.301 1.486 -6.379 1.00 40.21 H new ATOM 0 HD1 TYR A 446 -3.508 4.522 -8.445 1.00 32.04 H new ATOM 0 HD2 TYR A 446 -0.969 1.381 -7.112 1.00 64.04 H new ATOM 0 HE1 TYR A 446 -1.544 5.784 -9.205 1.00 4.02 H new ATOM 0 HE2 TYR A 446 0.991 2.642 -7.864 1.00 53.53 H new ATOM 0 HH TYR A 446 1.758 4.474 -8.815 1.00 44.55 H new ATOM 705 N VAL A 447 -6.292 0.382 -7.503 1.00 24.35 N ATOM 706 CA VAL A 447 -7.267 -0.567 -6.975 1.00 4.44 C ATOM 707 C VAL A 447 -7.473 -1.708 -7.967 1.00 4.13 C ATOM 708 O VAL A 447 -7.621 -2.857 -7.576 1.00 15.35 O ATOM 709 CB VAL A 447 -8.629 0.116 -6.657 1.00 22.15 C ATOM 710 CG1 VAL A 447 -9.643 -0.889 -6.113 1.00 22.43 C ATOM 711 CG2 VAL A 447 -8.431 1.244 -5.662 1.00 22.01 C ATOM 0 H VAL A 447 -6.672 1.307 -7.701 1.00 24.35 H new ATOM 0 HA VAL A 447 -6.871 -0.962 -6.040 1.00 4.44 H new ATOM 0 HB VAL A 447 -9.023 0.523 -7.588 1.00 22.15 H new ATOM 0 HG11 VAL A 447 -10.583 -0.379 -5.901 1.00 22.43 H new ATOM 0 HG12 VAL A 447 -9.813 -1.671 -6.853 1.00 22.43 H new ATOM 0 HG13 VAL A 447 -9.258 -1.335 -5.196 1.00 22.43 H new ATOM 0 HG21 VAL A 447 -9.391 1.713 -5.448 1.00 22.01 H new ATOM 0 HG22 VAL A 447 -8.008 0.846 -4.740 1.00 22.01 H new ATOM 0 HG23 VAL A 447 -7.751 1.985 -6.082 1.00 22.01 H new ATOM 721 N LEU A 448 -7.433 -1.378 -9.250 1.00 62.31 N ATOM 722 CA LEU A 448 -7.601 -2.330 -10.317 1.00 53.44 C ATOM 723 C LEU A 448 -6.501 -3.398 -10.272 1.00 51.33 C ATOM 724 O LEU A 448 -6.778 -4.585 -10.421 1.00 1.21 O ATOM 725 CB LEU A 448 -7.585 -1.605 -11.653 1.00 20.50 C ATOM 726 CG LEU A 448 -7.723 -2.479 -12.871 1.00 1.40 C ATOM 727 CD1 LEU A 448 -9.084 -3.170 -12.899 1.00 40.33 C ATOM 728 CD2 LEU A 448 -7.469 -1.689 -14.138 1.00 44.22 C ATOM 0 H LEU A 448 -7.280 -0.423 -9.575 1.00 62.31 H new ATOM 0 HA LEU A 448 -8.561 -2.832 -10.194 1.00 53.44 H new ATOM 0 HB2 LEU A 448 -8.394 -0.874 -11.659 1.00 20.50 H new ATOM 0 HB3 LEU A 448 -6.652 -1.048 -11.732 1.00 20.50 H new ATOM 0 HG LEU A 448 -6.964 -3.259 -12.816 1.00 1.40 H new ATOM 0 HD11 LEU A 448 -9.157 -3.795 -13.789 1.00 40.33 H new ATOM 0 HD12 LEU A 448 -9.195 -3.791 -12.010 1.00 40.33 H new ATOM 0 HD13 LEU A 448 -9.873 -2.418 -12.918 1.00 40.33 H new ATOM 0 HD21 LEU A 448 -7.575 -2.344 -15.003 1.00 44.22 H new ATOM 0 HD22 LEU A 448 -8.190 -0.874 -14.209 1.00 44.22 H new ATOM 0 HD23 LEU A 448 -6.459 -1.279 -14.115 1.00 44.22 H new ATOM 740 N LEU A 449 -5.262 -2.972 -10.052 1.00 70.20 N ATOM 741 CA LEU A 449 -4.147 -3.912 -9.919 1.00 63.25 C ATOM 742 C LEU A 449 -4.345 -4.829 -8.715 1.00 73.31 C ATOM 743 O LEU A 449 -4.048 -6.027 -8.776 1.00 54.42 O ATOM 744 CB LEU A 449 -2.774 -3.197 -9.856 1.00 3.42 C ATOM 745 CG LEU A 449 -2.148 -2.706 -11.194 1.00 53.24 C ATOM 746 CD1 LEU A 449 -3.061 -1.771 -11.959 1.00 25.52 C ATOM 747 CD2 LEU A 449 -0.813 -2.025 -10.929 1.00 33.14 C ATOM 0 H LEU A 449 -5.002 -1.990 -9.962 1.00 70.20 H new ATOM 0 HA LEU A 449 -4.141 -4.525 -10.820 1.00 63.25 H new ATOM 0 HB2 LEU A 449 -2.876 -2.334 -9.198 1.00 3.42 H new ATOM 0 HB3 LEU A 449 -2.064 -3.876 -9.384 1.00 3.42 H new ATOM 0 HG LEU A 449 -1.997 -3.588 -11.816 1.00 53.24 H new ATOM 0 HD11 LEU A 449 -2.573 -1.461 -12.883 1.00 25.52 H new ATOM 0 HD12 LEU A 449 -3.993 -2.285 -12.196 1.00 25.52 H new ATOM 0 HD13 LEU A 449 -3.276 -0.893 -11.350 1.00 25.52 H new ATOM 0 HD21 LEU A 449 -0.384 -1.686 -11.872 1.00 33.14 H new ATOM 0 HD22 LEU A 449 -0.965 -1.170 -10.271 1.00 33.14 H new ATOM 0 HD23 LEU A 449 -0.132 -2.731 -10.454 1.00 33.14 H new ATOM 759 N GLY A 450 -4.871 -4.271 -7.637 1.00 15.22 N ATOM 760 CA GLY A 450 -5.162 -5.062 -6.458 1.00 72.30 C ATOM 761 C GLY A 450 -6.295 -6.036 -6.724 1.00 75.32 C ATOM 762 O GLY A 450 -6.220 -7.213 -6.361 1.00 74.12 O ATOM 0 H GLY A 450 -5.103 -3.281 -7.556 1.00 15.22 H new ATOM 0 HA2 GLY A 450 -4.270 -5.610 -6.154 1.00 72.30 H new ATOM 0 HA3 GLY A 450 -5.429 -4.404 -5.631 1.00 72.30 H new ATOM 766 N LEU A 451 -7.332 -5.541 -7.382 1.00 14.15 N ATOM 767 CA LEU A 451 -8.496 -6.334 -7.760 1.00 51.10 C ATOM 768 C LEU A 451 -8.084 -7.483 -8.677 1.00 63.52 C ATOM 769 O LEU A 451 -8.617 -8.588 -8.582 1.00 2.24 O ATOM 770 CB LEU A 451 -9.525 -5.439 -8.463 1.00 53.05 C ATOM 771 CG LEU A 451 -10.813 -6.112 -8.941 1.00 5.13 C ATOM 772 CD1 LEU A 451 -11.596 -6.691 -7.768 1.00 24.51 C ATOM 773 CD2 LEU A 451 -11.657 -5.125 -9.722 1.00 11.21 C ATOM 0 H LEU A 451 -7.391 -4.565 -7.673 1.00 14.15 H new ATOM 0 HA LEU A 451 -8.943 -6.756 -6.860 1.00 51.10 H new ATOM 0 HB2 LEU A 451 -9.796 -4.633 -7.781 1.00 53.05 H new ATOM 0 HB3 LEU A 451 -9.042 -4.979 -9.325 1.00 53.05 H new ATOM 0 HG LEU A 451 -10.547 -6.939 -9.599 1.00 5.13 H new ATOM 0 HD11 LEU A 451 -12.507 -7.163 -8.136 1.00 24.51 H new ATOM 0 HD12 LEU A 451 -10.985 -7.433 -7.253 1.00 24.51 H new ATOM 0 HD13 LEU A 451 -11.857 -5.891 -7.075 1.00 24.51 H new ATOM 0 HD21 LEU A 451 -12.571 -5.614 -10.058 1.00 11.21 H new ATOM 0 HD22 LEU A 451 -11.911 -4.279 -9.084 1.00 11.21 H new ATOM 0 HD23 LEU A 451 -11.096 -4.771 -10.587 1.00 11.21 H new ATOM 785 N GLY A 452 -7.121 -7.209 -9.550 1.00 14.24 N ATOM 786 CA GLY A 452 -6.594 -8.218 -10.437 1.00 35.25 C ATOM 787 C GLY A 452 -6.001 -9.381 -9.676 1.00 2.13 C ATOM 788 O GLY A 452 -6.154 -10.523 -10.072 1.00 3.54 O ATOM 0 H GLY A 452 -6.693 -6.289 -9.656 1.00 14.24 H new ATOM 0 HA2 GLY A 452 -7.389 -8.579 -11.090 1.00 35.25 H new ATOM 0 HA3 GLY A 452 -5.831 -7.776 -11.078 1.00 35.25 H new ATOM 792 N GLY A 453 -5.333 -9.082 -8.569 1.00 54.42 N ATOM 793 CA GLY A 453 -4.754 -10.118 -7.732 1.00 72.15 C ATOM 794 C GLY A 453 -5.818 -10.832 -6.927 1.00 11.14 C ATOM 795 O GLY A 453 -5.730 -12.040 -6.691 1.00 4.20 O ATOM 0 H GLY A 453 -5.180 -8.131 -8.233 1.00 54.42 H new ATOM 0 HA2 GLY A 453 -4.222 -10.837 -8.355 1.00 72.15 H new ATOM 0 HA3 GLY A 453 -4.020 -9.676 -7.058 1.00 72.15 H new ATOM 799 N LEU A 454 -6.833 -10.072 -6.533 1.00 14.43 N ATOM 800 CA LEU A 454 -7.973 -10.565 -5.752 1.00 40.23 C ATOM 801 C LEU A 454 -8.754 -11.593 -6.580 1.00 53.22 C ATOM 802 O LEU A 454 -9.285 -12.574 -6.045 1.00 23.52 O ATOM 803 CB LEU A 454 -8.859 -9.335 -5.334 1.00 23.13 C ATOM 804 CG LEU A 454 -10.113 -9.545 -4.425 1.00 55.43 C ATOM 805 CD1 LEU A 454 -10.617 -8.195 -3.942 1.00 53.00 C ATOM 806 CD2 LEU A 454 -11.251 -10.237 -5.169 1.00 62.34 C ATOM 0 H LEU A 454 -6.893 -9.077 -6.749 1.00 14.43 H new ATOM 0 HA LEU A 454 -7.640 -11.069 -4.845 1.00 40.23 H new ATOM 0 HB2 LEU A 454 -8.207 -8.624 -4.827 1.00 23.13 H new ATOM 0 HB3 LEU A 454 -9.201 -8.856 -6.251 1.00 23.13 H new ATOM 0 HG LEU A 454 -9.807 -10.177 -3.591 1.00 55.43 H new ATOM 0 HD11 LEU A 454 -11.492 -8.339 -3.308 1.00 53.00 H new ATOM 0 HD12 LEU A 454 -9.833 -7.697 -3.372 1.00 53.00 H new ATOM 0 HD13 LEU A 454 -10.888 -7.580 -4.800 1.00 53.00 H new ATOM 0 HD21 LEU A 454 -12.101 -10.362 -4.498 1.00 62.34 H new ATOM 0 HD22 LEU A 454 -11.549 -9.630 -6.024 1.00 62.34 H new ATOM 0 HD23 LEU A 454 -10.917 -11.214 -5.517 1.00 62.34 H new ATOM 818 N LEU A 455 -8.765 -11.381 -7.891 1.00 50.24 N ATOM 819 CA LEU A 455 -9.479 -12.233 -8.838 1.00 50.21 C ATOM 820 C LEU A 455 -8.983 -13.685 -8.735 1.00 1.10 C ATOM 821 O LEU A 455 -9.764 -14.622 -8.875 1.00 2.23 O ATOM 822 CB LEU A 455 -9.313 -11.638 -10.280 1.00 71.43 C ATOM 823 CG LEU A 455 -10.063 -12.300 -11.476 1.00 3.21 C ATOM 824 CD1 LEU A 455 -9.993 -11.383 -12.685 1.00 74.21 C ATOM 825 CD2 LEU A 455 -9.450 -13.640 -11.859 1.00 42.42 C ATOM 0 H LEU A 455 -8.273 -10.604 -8.332 1.00 50.24 H new ATOM 0 HA LEU A 455 -10.543 -12.254 -8.602 1.00 50.21 H new ATOM 0 HB2 LEU A 455 -9.621 -10.593 -10.239 1.00 71.43 H new ATOM 0 HB3 LEU A 455 -8.249 -11.647 -10.516 1.00 71.43 H new ATOM 0 HG LEU A 455 -11.095 -12.464 -11.165 1.00 3.21 H new ATOM 0 HD11 LEU A 455 -10.517 -11.844 -13.522 1.00 74.21 H new ATOM 0 HD12 LEU A 455 -10.461 -10.428 -12.445 1.00 74.21 H new ATOM 0 HD13 LEU A 455 -8.950 -11.217 -12.956 1.00 74.21 H new ATOM 0 HD21 LEU A 455 -10.002 -14.067 -12.696 1.00 42.42 H new ATOM 0 HD22 LEU A 455 -8.409 -13.495 -12.148 1.00 42.42 H new ATOM 0 HD23 LEU A 455 -9.499 -14.319 -11.008 1.00 42.42 H new ATOM 837 N LEU A 456 -7.706 -13.856 -8.433 1.00 35.11 N ATOM 838 CA LEU A 456 -7.118 -15.183 -8.306 1.00 2.52 C ATOM 839 C LEU A 456 -7.712 -15.965 -7.137 1.00 60.34 C ATOM 840 O LEU A 456 -7.865 -17.183 -7.221 1.00 54.44 O ATOM 841 CB LEU A 456 -5.574 -15.143 -8.205 1.00 33.30 C ATOM 842 CG LEU A 456 -4.781 -14.785 -9.488 1.00 32.50 C ATOM 843 CD1 LEU A 456 -5.095 -13.400 -10.001 1.00 73.15 C ATOM 844 CD2 LEU A 456 -3.294 -14.930 -9.259 1.00 63.24 C ATOM 0 H LEU A 456 -7.053 -13.090 -8.270 1.00 35.11 H new ATOM 0 HA LEU A 456 -7.372 -15.708 -9.227 1.00 2.52 H new ATOM 0 HB2 LEU A 456 -5.306 -14.422 -7.432 1.00 33.30 H new ATOM 0 HB3 LEU A 456 -5.234 -16.120 -7.861 1.00 33.30 H new ATOM 0 HG LEU A 456 -5.098 -15.493 -10.254 1.00 32.50 H new ATOM 0 HD11 LEU A 456 -4.511 -13.204 -10.900 1.00 73.15 H new ATOM 0 HD12 LEU A 456 -6.157 -13.331 -10.236 1.00 73.15 H new ATOM 0 HD13 LEU A 456 -4.844 -12.664 -9.238 1.00 73.15 H new ATOM 0 HD21 LEU A 456 -2.758 -14.674 -10.173 1.00 63.24 H new ATOM 0 HD22 LEU A 456 -2.983 -14.262 -8.456 1.00 63.24 H new ATOM 0 HD23 LEU A 456 -3.067 -15.960 -8.982 1.00 63.24 H new ATOM 856 N LEU A 457 -8.073 -15.265 -6.071 1.00 31.14 N ATOM 857 CA LEU A 457 -8.639 -15.907 -4.884 1.00 52.13 C ATOM 858 C LEU A 457 -10.080 -16.327 -5.100 1.00 72.22 C ATOM 859 O LEU A 457 -10.541 -17.285 -4.486 1.00 65.51 O ATOM 860 CB LEU A 457 -8.533 -15.040 -3.605 1.00 31.31 C ATOM 861 CG LEU A 457 -7.129 -14.760 -3.032 1.00 75.04 C ATOM 862 CD1 LEU A 457 -6.303 -13.862 -3.935 1.00 61.42 C ATOM 863 CD2 LEU A 457 -7.235 -14.178 -1.635 1.00 51.12 C ATOM 0 H LEU A 457 -7.986 -14.251 -6.000 1.00 31.14 H new ATOM 0 HA LEU A 457 -8.029 -16.796 -4.727 1.00 52.13 H new ATOM 0 HB2 LEU A 457 -9.006 -14.080 -3.813 1.00 31.31 H new ATOM 0 HB3 LEU A 457 -9.121 -15.523 -2.825 1.00 31.31 H new ATOM 0 HG LEU A 457 -6.605 -15.714 -2.977 1.00 75.04 H new ATOM 0 HD11 LEU A 457 -5.324 -13.696 -3.486 1.00 61.42 H new ATOM 0 HD12 LEU A 457 -6.180 -14.338 -4.908 1.00 61.42 H new ATOM 0 HD13 LEU A 457 -6.811 -12.906 -4.061 1.00 61.42 H new ATOM 0 HD21 LEU A 457 -6.236 -13.986 -1.244 1.00 51.12 H new ATOM 0 HD22 LEU A 457 -7.796 -13.244 -1.671 1.00 51.12 H new ATOM 0 HD23 LEU A 457 -7.749 -14.885 -0.984 1.00 51.12 H new ATOM 875 N VAL A 458 -10.781 -15.606 -5.969 1.00 35.23 N ATOM 876 CA VAL A 458 -12.207 -15.835 -6.229 1.00 62.14 C ATOM 877 C VAL A 458 -12.566 -17.337 -6.478 1.00 11.24 C ATOM 878 O VAL A 458 -13.433 -17.870 -5.777 1.00 31.23 O ATOM 879 CB VAL A 458 -12.769 -14.909 -7.356 1.00 40.01 C ATOM 880 CG1 VAL A 458 -14.240 -15.177 -7.598 1.00 33.43 C ATOM 881 CG2 VAL A 458 -12.563 -13.447 -6.987 1.00 72.44 C ATOM 0 H VAL A 458 -10.380 -14.844 -6.516 1.00 35.23 H new ATOM 0 HA VAL A 458 -12.711 -15.556 -5.304 1.00 62.14 H new ATOM 0 HB VAL A 458 -12.225 -15.128 -8.275 1.00 40.01 H new ATOM 0 HG11 VAL A 458 -14.605 -14.519 -8.387 1.00 33.43 H new ATOM 0 HG12 VAL A 458 -14.376 -16.215 -7.900 1.00 33.43 H new ATOM 0 HG13 VAL A 458 -14.800 -14.990 -6.682 1.00 33.43 H new ATOM 0 HG21 VAL A 458 -12.959 -12.812 -7.780 1.00 72.44 H new ATOM 0 HG22 VAL A 458 -13.084 -13.230 -6.055 1.00 72.44 H new ATOM 0 HG23 VAL A 458 -11.498 -13.250 -6.862 1.00 72.44 H new ATOM 891 N PRO A 459 -11.918 -18.054 -7.451 1.00 13.15 N ATOM 892 CA PRO A 459 -12.191 -19.485 -7.661 1.00 13.14 C ATOM 893 C PRO A 459 -11.758 -20.324 -6.450 1.00 41.05 C ATOM 894 O PRO A 459 -12.413 -21.303 -6.092 1.00 60.14 O ATOM 895 CB PRO A 459 -11.337 -19.844 -8.889 1.00 34.41 C ATOM 896 CG PRO A 459 -11.051 -18.540 -9.540 1.00 3.22 C ATOM 897 CD PRO A 459 -10.925 -17.556 -8.423 1.00 33.42 C ATOM 0 HA PRO A 459 -13.254 -19.685 -7.799 1.00 13.14 H new ATOM 0 HB2 PRO A 459 -10.418 -20.352 -8.598 1.00 34.41 H new ATOM 0 HB3 PRO A 459 -11.872 -20.514 -9.562 1.00 34.41 H new ATOM 0 HG2 PRO A 459 -10.134 -18.587 -10.127 1.00 3.22 H new ATOM 0 HG3 PRO A 459 -11.852 -18.258 -10.223 1.00 3.22 H new ATOM 0 HD2 PRO A 459 -9.918 -17.542 -8.005 1.00 33.42 H new ATOM 0 HD3 PRO A 459 -11.149 -16.540 -8.749 1.00 33.42 H new ATOM 905 N ILE A 460 -10.680 -19.896 -5.803 1.00 54.21 N ATOM 906 CA ILE A 460 -10.097 -20.599 -4.655 1.00 63.43 C ATOM 907 C ILE A 460 -11.087 -20.660 -3.483 1.00 2.24 C ATOM 908 O ILE A 460 -11.179 -21.666 -2.785 1.00 52.21 O ATOM 909 CB ILE A 460 -8.762 -19.932 -4.208 1.00 74.24 C ATOM 910 CG1 ILE A 460 -7.736 -19.979 -5.355 1.00 1.41 C ATOM 911 CG2 ILE A 460 -8.203 -20.598 -2.957 1.00 44.33 C ATOM 912 CD1 ILE A 460 -6.397 -19.337 -5.029 1.00 54.23 C ATOM 0 H ILE A 460 -10.179 -19.045 -6.059 1.00 54.21 H new ATOM 0 HA ILE A 460 -9.879 -21.620 -4.970 1.00 63.43 H new ATOM 0 HB ILE A 460 -8.967 -18.890 -3.963 1.00 74.24 H new ATOM 0 HG12 ILE A 460 -7.568 -21.019 -5.633 1.00 1.41 H new ATOM 0 HG13 ILE A 460 -8.161 -19.481 -6.227 1.00 1.41 H new ATOM 0 HG21 ILE A 460 -7.271 -20.110 -2.670 1.00 44.33 H new ATOM 0 HG22 ILE A 460 -8.924 -20.509 -2.144 1.00 44.33 H new ATOM 0 HG23 ILE A 460 -8.013 -21.652 -3.160 1.00 44.33 H new ATOM 0 HD11 ILE A 460 -5.736 -19.415 -5.892 1.00 54.23 H new ATOM 0 HD12 ILE A 460 -6.548 -18.286 -4.782 1.00 54.23 H new ATOM 0 HD13 ILE A 460 -5.946 -19.849 -4.179 1.00 54.23 H new ATOM 924 N ILE A 461 -11.854 -19.598 -3.308 1.00 65.21 N ATOM 925 CA ILE A 461 -12.892 -19.530 -2.267 1.00 53.45 C ATOM 926 C ILE A 461 -13.913 -20.688 -2.442 1.00 11.22 C ATOM 927 O ILE A 461 -14.530 -21.164 -1.483 1.00 50.21 O ATOM 928 CB ILE A 461 -13.636 -18.153 -2.305 1.00 24.10 C ATOM 929 CG1 ILE A 461 -12.638 -17.001 -2.102 1.00 51.45 C ATOM 930 CG2 ILE A 461 -14.738 -18.089 -1.242 1.00 33.04 C ATOM 931 CD1 ILE A 461 -13.254 -15.616 -2.206 1.00 33.01 C ATOM 0 H ILE A 461 -11.783 -18.754 -3.877 1.00 65.21 H new ATOM 0 HA ILE A 461 -12.402 -19.631 -1.299 1.00 53.45 H new ATOM 0 HB ILE A 461 -14.103 -18.051 -3.285 1.00 24.10 H new ATOM 0 HG12 ILE A 461 -12.173 -17.107 -1.122 1.00 51.45 H new ATOM 0 HG13 ILE A 461 -11.843 -17.089 -2.843 1.00 51.45 H new ATOM 0 HG21 ILE A 461 -15.237 -17.121 -1.293 1.00 33.04 H new ATOM 0 HG22 ILE A 461 -15.464 -18.881 -1.423 1.00 33.04 H new ATOM 0 HG23 ILE A 461 -14.298 -18.219 -0.253 1.00 33.04 H new ATOM 0 HD11 ILE A 461 -12.482 -14.862 -2.050 1.00 33.01 H new ATOM 0 HD12 ILE A 461 -13.694 -15.487 -3.195 1.00 33.01 H new ATOM 0 HD13 ILE A 461 -14.029 -15.504 -1.447 1.00 33.01 H new ATOM 943 N CYS A 462 -14.054 -21.157 -3.657 1.00 41.03 N ATOM 944 CA CYS A 462 -15.009 -22.185 -3.966 1.00 21.21 C ATOM 945 C CYS A 462 -14.458 -23.594 -3.640 1.00 70.01 C ATOM 946 O CYS A 462 -15.226 -24.547 -3.554 1.00 72.42 O ATOM 947 CB CYS A 462 -15.391 -22.101 -5.443 1.00 0.51 C ATOM 948 SG CYS A 462 -15.947 -20.468 -5.973 1.00 22.34 S ATOM 0 H CYS A 462 -13.509 -20.835 -4.457 1.00 41.03 H new ATOM 0 HA CYS A 462 -15.891 -22.025 -3.347 1.00 21.21 H new ATOM 0 HB2 CYS A 462 -14.531 -22.393 -6.046 1.00 0.51 H new ATOM 0 HB3 CYS A 462 -16.181 -22.824 -5.644 1.00 0.51 H new ATOM 0 HG CYS A 462 -14.969 -19.619 -5.859 1.00 22.34 H new ATOM 954 N GLN A 463 -13.135 -23.716 -3.373 1.00 70.22 N ATOM 955 CA GLN A 463 -12.524 -25.076 -3.216 1.00 70.52 C ATOM 956 C GLN A 463 -12.880 -25.592 -1.857 1.00 31.43 C ATOM 957 O GLN A 463 -12.843 -26.788 -1.569 1.00 71.50 O ATOM 958 CB GLN A 463 -10.991 -25.089 -3.392 1.00 2.50 C ATOM 959 CG GLN A 463 -10.201 -24.494 -2.232 1.00 24.21 C ATOM 960 CD GLN A 463 -8.708 -24.635 -2.411 1.00 71.01 C ATOM 961 OE1 GLN A 463 -8.226 -25.577 -3.043 1.00 34.33 O ATOM 962 NE2 GLN A 463 -7.970 -23.727 -1.852 1.00 32.34 N ATOM 0 H GLN A 463 -12.489 -22.934 -3.264 1.00 70.22 H new ATOM 0 HA GLN A 463 -12.923 -25.711 -4.007 1.00 70.52 H new ATOM 0 HB2 GLN A 463 -10.667 -26.119 -3.541 1.00 2.50 H new ATOM 0 HB3 GLN A 463 -10.741 -24.541 -4.300 1.00 2.50 H new ATOM 0 HG2 GLN A 463 -10.453 -23.438 -2.130 1.00 24.21 H new ATOM 0 HG3 GLN A 463 -10.500 -24.984 -1.305 1.00 24.21 H new ATOM 0 HE21 GLN A 463 -8.405 -22.962 -1.337 1.00 32.34 H new ATOM 0 HE22 GLN A 463 -6.954 -23.778 -1.927 1.00 32.34 H new ATOM 971 N LEU A 464 -13.208 -24.643 -1.041 1.00 54.24 N ATOM 972 CA LEU A 464 -13.667 -24.776 0.281 1.00 44.54 C ATOM 973 C LEU A 464 -14.895 -25.706 0.299 1.00 5.34 C ATOM 974 O LEU A 464 -15.083 -26.497 1.218 1.00 53.12 O ATOM 975 CB LEU A 464 -14.017 -23.344 0.637 1.00 1.43 C ATOM 976 CG LEU A 464 -14.338 -22.937 2.037 1.00 64.30 C ATOM 977 CD1 LEU A 464 -14.405 -21.431 2.032 1.00 13.12 C ATOM 978 CD2 LEU A 464 -15.659 -23.505 2.509 1.00 54.34 C ATOM 0 H LEU A 464 -13.151 -23.665 -1.323 1.00 54.24 H new ATOM 0 HA LEU A 464 -12.958 -25.216 0.982 1.00 44.54 H new ATOM 0 HB2 LEU A 464 -13.180 -22.725 0.313 1.00 1.43 H new ATOM 0 HB3 LEU A 464 -14.875 -23.067 0.024 1.00 1.43 H new ATOM 0 HG LEU A 464 -13.577 -23.317 2.719 1.00 64.30 H new ATOM 0 HD11 LEU A 464 -14.638 -21.074 3.035 1.00 13.12 H new ATOM 0 HD12 LEU A 464 -13.444 -21.025 1.716 1.00 13.12 H new ATOM 0 HD13 LEU A 464 -15.182 -21.104 1.341 1.00 13.12 H new ATOM 0 HD21 LEU A 464 -15.849 -23.182 3.532 1.00 54.34 H new ATOM 0 HD22 LEU A 464 -16.460 -23.149 1.861 1.00 54.34 H new ATOM 0 HD23 LEU A 464 -15.620 -24.594 2.474 1.00 54.34 H new ATOM 990 N ARG A 465 -15.691 -25.641 -0.761 1.00 24.13 N ATOM 991 CA ARG A 465 -16.879 -26.460 -0.881 1.00 11.14 C ATOM 992 C ARG A 465 -16.551 -27.927 -1.095 1.00 33.11 C ATOM 993 O ARG A 465 -17.345 -28.795 -0.780 1.00 65.52 O ATOM 994 CB ARG A 465 -17.860 -25.924 -1.932 1.00 51.01 C ATOM 995 CG ARG A 465 -18.707 -24.735 -1.462 1.00 34.43 C ATOM 996 CD ARG A 465 -17.888 -23.512 -1.094 1.00 21.53 C ATOM 997 NE ARG A 465 -18.724 -22.494 -0.470 1.00 24.11 N ATOM 998 CZ ARG A 465 -18.328 -21.289 -0.062 1.00 33.34 C ATOM 999 NH1 ARG A 465 -17.087 -20.863 -0.284 1.00 60.40 N ATOM 1000 NH2 ARG A 465 -19.185 -20.499 0.562 1.00 61.15 N ATOM 0 H ARG A 465 -15.528 -25.021 -1.555 1.00 24.13 H new ATOM 0 HA ARG A 465 -17.392 -26.394 0.079 1.00 11.14 H new ATOM 0 HB2 ARG A 465 -17.298 -25.626 -2.817 1.00 51.01 H new ATOM 0 HB3 ARG A 465 -18.526 -26.732 -2.234 1.00 51.01 H new ATOM 0 HG2 ARG A 465 -19.410 -24.467 -2.250 1.00 34.43 H new ATOM 0 HG3 ARG A 465 -19.298 -25.040 -0.598 1.00 34.43 H new ATOM 0 HD2 ARG A 465 -17.087 -23.798 -0.413 1.00 21.53 H new ATOM 0 HD3 ARG A 465 -17.416 -23.103 -1.987 1.00 21.53 H new ATOM 0 HE ARG A 465 -19.708 -22.727 -0.332 1.00 24.11 H new ATOM 0 HH11 ARG A 465 -16.422 -21.462 -0.773 1.00 60.40 H new ATOM 0 HH12 ARG A 465 -16.801 -19.938 0.035 1.00 60.40 H new ATOM 0 HH21 ARG A 465 -20.141 -20.814 0.728 1.00 61.15 H new ATOM 0 HH22 ARG A 465 -18.890 -19.575 0.878 1.00 61.15 H new ATOM 1014 N SER A 466 -15.358 -28.203 -1.577 1.00 41.31 N ATOM 1015 CA SER A 466 -14.911 -29.567 -1.761 1.00 11.23 C ATOM 1016 C SER A 466 -14.631 -30.193 -0.374 1.00 5.54 C ATOM 1017 O SER A 466 -14.688 -31.412 -0.194 1.00 33.42 O ATOM 1018 CB SER A 466 -13.655 -29.587 -2.655 1.00 15.42 C ATOM 1019 OG SER A 466 -13.194 -30.903 -2.905 1.00 73.14 O ATOM 0 H SER A 466 -14.676 -27.495 -1.850 1.00 41.31 H new ATOM 0 HA SER A 466 -15.681 -30.156 -2.259 1.00 11.23 H new ATOM 0 HB2 SER A 466 -13.878 -29.097 -3.602 1.00 15.42 H new ATOM 0 HB3 SER A 466 -12.862 -29.011 -2.177 1.00 15.42 H new ATOM 0 HG SER A 466 -12.398 -30.868 -3.476 1.00 73.14 H new ATOM 1025 N GLN A 467 -14.358 -29.332 0.605 1.00 3.43 N ATOM 1026 CA GLN A 467 -14.119 -29.761 1.971 1.00 2.42 C ATOM 1027 C GLN A 467 -15.458 -29.847 2.704 1.00 55.14 C ATOM 1028 O GLN A 467 -15.647 -30.662 3.612 1.00 41.05 O ATOM 1029 CB GLN A 467 -13.183 -28.778 2.670 1.00 13.35 C ATOM 1030 CG GLN A 467 -12.803 -29.175 4.084 1.00 40.15 C ATOM 1031 CD GLN A 467 -11.861 -28.190 4.727 1.00 34.42 C ATOM 1032 OE1 GLN A 467 -12.281 -27.240 5.376 1.00 41.31 O ATOM 1033 NE2 GLN A 467 -10.590 -28.400 4.542 1.00 22.32 N ATOM 0 H GLN A 467 -14.298 -28.323 0.469 1.00 3.43 H new ATOM 0 HA GLN A 467 -13.644 -30.742 1.975 1.00 2.42 H new ATOM 0 HB2 GLN A 467 -12.274 -28.676 2.077 1.00 13.35 H new ATOM 0 HB3 GLN A 467 -13.658 -27.798 2.696 1.00 13.35 H new ATOM 0 HG2 GLN A 467 -13.706 -29.258 4.690 1.00 40.15 H new ATOM 0 HG3 GLN A 467 -12.338 -30.161 4.069 1.00 40.15 H new ATOM 0 HE21 GLN A 467 -10.280 -29.203 3.995 1.00 22.32 H new ATOM 0 HE22 GLN A 467 -9.904 -27.761 4.944 1.00 22.32 H new ATOM 1042 N GLU A 468 -16.380 -28.996 2.293 1.00 51.34 N ATOM 1043 CA GLU A 468 -17.737 -28.979 2.827 1.00 33.14 C ATOM 1044 C GLU A 468 -18.544 -30.130 2.273 1.00 41.24 C ATOM 1045 O GLU A 468 -19.579 -30.510 2.839 1.00 41.14 O ATOM 1046 CB GLU A 468 -18.412 -27.658 2.502 1.00 23.34 C ATOM 1047 CG GLU A 468 -17.803 -26.480 3.218 1.00 34.23 C ATOM 1048 CD GLU A 468 -18.018 -26.567 4.701 1.00 1.14 C ATOM 1049 OE1 GLU A 468 -17.237 -27.255 5.398 1.00 42.54 O ATOM 1050 OE2 GLU A 468 -18.990 -25.963 5.198 1.00 35.51 O ATOM 0 H GLU A 468 -16.211 -28.291 1.575 1.00 51.34 H new ATOM 0 HA GLU A 468 -17.682 -29.089 3.910 1.00 33.14 H new ATOM 0 HB2 GLU A 468 -18.359 -27.487 1.427 1.00 23.34 H new ATOM 0 HB3 GLU A 468 -19.468 -27.725 2.762 1.00 23.34 H new ATOM 0 HG2 GLU A 468 -16.735 -26.437 3.006 1.00 34.23 H new ATOM 0 HG3 GLU A 468 -18.241 -25.556 2.839 1.00 34.23 H new