USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 418 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 418 GLN : amide:sc= -0.364 K(o=0.24,f=-0.53) USER MOD Set 1.2: A 419 SER OG : rot 94:sc= 0.608 USER MOD Single : A 404 SER OG : rot 37:sc= 0.0936 USER MOD Single : A 405 LYS NZ :NH3+ 180:sc= 0 (180deg=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=-0.54) USER MOD Single : A 442 HIS : no HD1:sc= -0.738 K(o=-0.74,f=-0.23) USER MOD Single : A 443 TYR OH : rot 180:sc= 0 USER MOD Single : A 445 GLN : amide:sc= -1.08 K(o=-1.1,f=-5.5!) USER MOD Single : A 446 TYR OH : rot 180:sc= 0 USER MOD Single : A 462 CYS SG : rot 54:sc= 1.29 USER MOD Single : A 463 GLN : amide:sc= -2.44! K(o=-2.4!,f=-0.77) USER MOD Single : A 466 SER OG : rot 180:sc= 0 USER MOD Single : A 467 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD ----------------------------------------------------------------- ATOM 10 N SER A 404 -3.823 40.055 5.288 1.00 72.52 N ATOM 11 CA SER A 404 -4.723 40.951 5.974 1.00 64.10 C ATOM 12 C SER A 404 -5.834 41.443 5.048 1.00 70.31 C ATOM 13 O SER A 404 -6.870 41.896 5.507 1.00 32.32 O ATOM 14 CB SER A 404 -3.951 42.133 6.565 1.00 0.42 C ATOM 15 OG SER A 404 -2.913 41.680 7.432 1.00 12.05 O ATOM 0 HA SER A 404 -5.192 40.397 6.787 1.00 64.10 H new ATOM 0 HB2 SER A 404 -3.523 42.732 5.761 1.00 0.42 H new ATOM 0 HB3 SER A 404 -4.634 42.780 7.116 1.00 0.42 H new ATOM 0 HG SER A 404 -2.513 40.865 7.065 1.00 12.05 H new ATOM 21 N LYS A 405 -5.624 41.340 3.744 1.00 34.02 N ATOM 22 CA LYS A 405 -6.638 41.772 2.787 1.00 75.42 C ATOM 23 C LYS A 405 -7.730 40.719 2.673 1.00 23.32 C ATOM 24 O LYS A 405 -8.893 41.029 2.444 1.00 11.43 O ATOM 25 CB LYS A 405 -6.026 42.042 1.403 1.00 51.21 C ATOM 26 CG LYS A 405 -4.971 43.145 1.367 1.00 1.03 C ATOM 27 CD LYS A 405 -5.551 44.497 1.758 1.00 11.30 C ATOM 28 CE LYS A 405 -4.498 45.591 1.679 1.00 13.04 C ATOM 29 NZ LYS A 405 -5.051 46.915 2.030 1.00 75.15 N ATOM 0 H LYS A 405 -4.772 40.966 3.326 1.00 34.02 H new ATOM 0 HA LYS A 405 -7.068 42.704 3.154 1.00 75.42 H new ATOM 0 HB2 LYS A 405 -5.578 41.119 1.035 1.00 51.21 H new ATOM 0 HB3 LYS A 405 -6.828 42.305 0.713 1.00 51.21 H new ATOM 0 HG2 LYS A 405 -4.156 42.890 2.044 1.00 1.03 H new ATOM 0 HG3 LYS A 405 -4.546 43.208 0.365 1.00 1.03 H new ATOM 0 HD2 LYS A 405 -6.384 44.742 1.099 1.00 11.30 H new ATOM 0 HD3 LYS A 405 -5.950 44.445 2.771 1.00 11.30 H new ATOM 0 HE2 LYS A 405 -3.675 45.352 2.352 1.00 13.04 H new ATOM 0 HE3 LYS A 405 -4.086 45.626 0.671 1.00 13.04 H new ATOM 0 HZ1 LYS A 405 -4.301 47.633 1.964 1.00 75.15 H new ATOM 0 HZ2 LYS A 405 -5.820 47.156 1.372 1.00 75.15 H new ATOM 0 HZ3 LYS A 405 -5.422 46.890 3.001 1.00 75.15 H new ATOM 43 N ILE A 406 -7.344 39.483 2.863 1.00 13.10 N ATOM 44 CA ILE A 406 -8.263 38.362 2.743 1.00 31.10 C ATOM 45 C ILE A 406 -8.916 38.033 4.106 1.00 51.50 C ATOM 46 O ILE A 406 -9.923 37.332 4.177 1.00 54.22 O ATOM 47 CB ILE A 406 -7.516 37.114 2.179 1.00 12.34 C ATOM 48 CG1 ILE A 406 -8.480 35.938 1.942 1.00 2.05 C ATOM 49 CG2 ILE A 406 -6.378 36.705 3.113 1.00 1.33 C ATOM 50 CD1 ILE A 406 -7.828 34.719 1.321 1.00 42.20 C ATOM 0 H ILE A 406 -6.389 39.218 3.105 1.00 13.10 H new ATOM 0 HA ILE A 406 -9.056 38.641 2.049 1.00 31.10 H new ATOM 0 HB ILE A 406 -7.091 37.387 1.213 1.00 12.34 H new ATOM 0 HG12 ILE A 406 -8.928 35.652 2.894 1.00 2.05 H new ATOM 0 HG13 ILE A 406 -9.291 36.272 1.295 1.00 2.05 H new ATOM 0 HG21 ILE A 406 -5.868 35.833 2.704 1.00 1.33 H new ATOM 0 HG22 ILE A 406 -5.670 37.529 3.207 1.00 1.33 H new ATOM 0 HG23 ILE A 406 -6.783 36.461 4.095 1.00 1.33 H new ATOM 0 HD11 ILE A 406 -8.574 33.936 1.187 1.00 42.20 H new ATOM 0 HD12 ILE A 406 -7.405 34.986 0.353 1.00 42.20 H new ATOM 0 HD13 ILE A 406 -7.036 34.357 1.976 1.00 42.20 H new ATOM 62 N GLU A 407 -8.364 38.585 5.168 1.00 51.12 N ATOM 63 CA GLU A 407 -8.840 38.302 6.511 1.00 55.21 C ATOM 64 C GLU A 407 -10.310 38.757 6.739 1.00 52.32 C ATOM 65 O GLU A 407 -11.117 37.969 7.225 1.00 13.55 O ATOM 66 CB GLU A 407 -7.887 38.855 7.568 1.00 71.02 C ATOM 67 CG GLU A 407 -8.280 38.517 8.985 1.00 11.40 C ATOM 68 CD GLU A 407 -7.275 38.993 9.977 1.00 61.13 C ATOM 69 OE1 GLU A 407 -6.306 38.240 10.270 1.00 63.22 O ATOM 70 OE2 GLU A 407 -7.413 40.117 10.486 1.00 72.34 O ATOM 0 H GLU A 407 -7.580 39.237 5.128 1.00 51.12 H new ATOM 0 HA GLU A 407 -8.849 37.218 6.620 1.00 55.21 H new ATOM 0 HB2 GLU A 407 -6.886 38.469 7.377 1.00 71.02 H new ATOM 0 HB3 GLU A 407 -7.836 39.939 7.465 1.00 71.02 H new ATOM 0 HG2 GLU A 407 -9.248 38.965 9.208 1.00 11.40 H new ATOM 0 HG3 GLU A 407 -8.398 37.438 9.080 1.00 11.40 H new ATOM 77 N PRO A 408 -10.703 40.024 6.371 1.00 34.23 N ATOM 78 CA PRO A 408 -12.101 40.482 6.498 1.00 4.22 C ATOM 79 C PRO A 408 -13.070 39.632 5.670 1.00 45.25 C ATOM 80 O PRO A 408 -14.269 39.626 5.920 1.00 42.32 O ATOM 81 CB PRO A 408 -12.071 41.915 5.954 1.00 42.51 C ATOM 82 CG PRO A 408 -10.814 41.990 5.169 1.00 22.33 C ATOM 83 CD PRO A 408 -9.846 41.107 5.870 1.00 44.12 C ATOM 0 HA PRO A 408 -12.451 40.409 7.528 1.00 4.22 H new ATOM 0 HB2 PRO A 408 -12.941 42.121 5.330 1.00 42.51 H new ATOM 0 HB3 PRO A 408 -12.078 42.646 6.762 1.00 42.51 H new ATOM 0 HG2 PRO A 408 -10.973 41.659 4.143 1.00 22.33 H new ATOM 0 HG3 PRO A 408 -10.444 43.014 5.120 1.00 22.33 H new ATOM 0 HD2 PRO A 408 -9.075 40.735 5.195 1.00 44.12 H new ATOM 0 HD3 PRO A 408 -9.336 41.628 6.680 1.00 44.12 H new ATOM 91 N VAL A 409 -12.525 38.910 4.702 1.00 44.21 N ATOM 92 CA VAL A 409 -13.298 38.041 3.828 1.00 52.41 C ATOM 93 C VAL A 409 -13.666 36.750 4.579 1.00 73.31 C ATOM 94 O VAL A 409 -14.683 36.109 4.287 1.00 62.20 O ATOM 95 CB VAL A 409 -12.483 37.686 2.539 1.00 51.42 C ATOM 96 CG1 VAL A 409 -13.270 36.790 1.596 1.00 22.54 C ATOM 97 CG2 VAL A 409 -12.027 38.949 1.817 1.00 13.34 C ATOM 0 H VAL A 409 -11.525 38.911 4.500 1.00 44.21 H new ATOM 0 HA VAL A 409 -14.206 38.565 3.531 1.00 52.41 H new ATOM 0 HB VAL A 409 -11.602 37.131 2.862 1.00 51.42 H new ATOM 0 HG11 VAL A 409 -12.666 36.569 0.716 1.00 22.54 H new ATOM 0 HG12 VAL A 409 -13.524 35.860 2.105 1.00 22.54 H new ATOM 0 HG13 VAL A 409 -14.185 37.298 1.291 1.00 22.54 H new ATOM 0 HG21 VAL A 409 -11.463 38.675 0.925 1.00 13.34 H new ATOM 0 HG22 VAL A 409 -12.898 39.538 1.529 1.00 13.34 H new ATOM 0 HG23 VAL A 409 -11.394 39.538 2.480 1.00 13.34 H new ATOM 107 N VAL A 410 -12.853 36.401 5.565 1.00 71.44 N ATOM 108 CA VAL A 410 -13.044 35.184 6.349 1.00 13.03 C ATOM 109 C VAL A 410 -14.243 35.324 7.294 1.00 2.23 C ATOM 110 O VAL A 410 -14.975 34.354 7.529 1.00 4.01 O ATOM 111 CB VAL A 410 -11.758 34.824 7.165 1.00 11.11 C ATOM 112 CG1 VAL A 410 -11.944 33.544 7.972 1.00 72.14 C ATOM 113 CG2 VAL A 410 -10.558 34.691 6.241 1.00 72.24 C ATOM 0 H VAL A 410 -12.042 36.952 5.846 1.00 71.44 H new ATOM 0 HA VAL A 410 -13.243 34.373 5.648 1.00 13.03 H new ATOM 0 HB VAL A 410 -11.577 35.639 7.866 1.00 11.11 H new ATOM 0 HG11 VAL A 410 -11.030 33.327 8.525 1.00 72.14 H new ATOM 0 HG12 VAL A 410 -12.770 33.672 8.672 1.00 72.14 H new ATOM 0 HG13 VAL A 410 -12.165 32.717 7.297 1.00 72.14 H new ATOM 0 HG21 VAL A 410 -9.674 34.440 6.827 1.00 72.24 H new ATOM 0 HG22 VAL A 410 -10.746 33.903 5.512 1.00 72.24 H new ATOM 0 HG23 VAL A 410 -10.393 35.634 5.721 1.00 72.24 H new ATOM 123 N LEU A 411 -14.458 36.536 7.803 1.00 61.44 N ATOM 124 CA LEU A 411 -15.565 36.806 8.734 1.00 52.21 C ATOM 125 C LEU A 411 -16.957 36.411 8.211 1.00 23.42 C ATOM 126 O LEU A 411 -17.671 35.671 8.901 1.00 42.24 O ATOM 127 CB LEU A 411 -15.569 38.239 9.288 1.00 13.31 C ATOM 128 CG LEU A 411 -14.512 38.591 10.354 1.00 23.24 C ATOM 129 CD1 LEU A 411 -13.095 38.516 9.818 1.00 43.11 C ATOM 130 CD2 LEU A 411 -14.797 39.953 10.938 1.00 22.50 C ATOM 0 H LEU A 411 -13.883 37.351 7.589 1.00 61.44 H new ATOM 0 HA LEU A 411 -15.354 36.136 9.567 1.00 52.21 H new ATOM 0 HB2 LEU A 411 -15.443 38.924 8.450 1.00 13.31 H new ATOM 0 HB3 LEU A 411 -16.554 38.433 9.713 1.00 13.31 H new ATOM 0 HG LEU A 411 -14.584 37.842 11.143 1.00 23.24 H new ATOM 0 HD11 LEU A 411 -12.392 38.773 10.610 1.00 43.11 H new ATOM 0 HD12 LEU A 411 -12.892 37.504 9.467 1.00 43.11 H new ATOM 0 HD13 LEU A 411 -12.981 39.217 8.991 1.00 43.11 H new ATOM 0 HD21 LEU A 411 -14.044 40.191 11.690 1.00 22.50 H new ATOM 0 HD22 LEU A 411 -14.769 40.702 10.146 1.00 22.50 H new ATOM 0 HD23 LEU A 411 -15.784 39.951 11.401 1.00 22.50 H new ATOM 142 N PRO A 412 -17.399 36.893 7.008 1.00 73.15 N ATOM 143 CA PRO A 412 -18.702 36.515 6.472 1.00 33.41 C ATOM 144 C PRO A 412 -18.804 35.006 6.271 1.00 55.51 C ATOM 145 O PRO A 412 -19.831 34.402 6.569 1.00 74.22 O ATOM 146 CB PRO A 412 -18.783 37.243 5.129 1.00 32.43 C ATOM 147 CG PRO A 412 -17.824 38.364 5.257 1.00 53.51 C ATOM 148 CD PRO A 412 -16.714 37.844 6.114 1.00 3.31 C ATOM 0 HA PRO A 412 -19.515 36.782 7.147 1.00 33.41 H new ATOM 0 HB2 PRO A 412 -18.515 36.584 4.303 1.00 32.43 H new ATOM 0 HB3 PRO A 412 -19.793 37.605 4.934 1.00 32.43 H new ATOM 0 HG2 PRO A 412 -17.453 38.676 4.281 1.00 53.51 H new ATOM 0 HG3 PRO A 412 -18.296 39.235 5.712 1.00 53.51 H new ATOM 0 HD2 PRO A 412 -15.942 37.355 5.520 1.00 3.31 H new ATOM 0 HD3 PRO A 412 -16.228 38.644 6.673 1.00 3.31 H new ATOM 156 N LEU A 413 -17.713 34.401 5.797 1.00 41.22 N ATOM 157 CA LEU A 413 -17.663 32.963 5.577 1.00 1.15 C ATOM 158 C LEU A 413 -17.908 32.213 6.866 1.00 42.32 C ATOM 159 O LEU A 413 -18.708 31.293 6.907 1.00 52.40 O ATOM 160 CB LEU A 413 -16.326 32.551 4.987 1.00 40.10 C ATOM 161 CG LEU A 413 -15.998 33.140 3.621 1.00 34.23 C ATOM 162 CD1 LEU A 413 -14.667 32.634 3.160 1.00 11.05 C ATOM 163 CD2 LEU A 413 -17.078 32.796 2.603 1.00 4.22 C ATOM 0 H LEU A 413 -16.851 34.891 5.559 1.00 41.22 H new ATOM 0 HA LEU A 413 -18.451 32.709 4.868 1.00 1.15 H new ATOM 0 HB2 LEU A 413 -15.538 32.837 5.684 1.00 40.10 H new ATOM 0 HB3 LEU A 413 -16.304 31.464 4.909 1.00 40.10 H new ATOM 0 HG LEU A 413 -15.958 34.225 3.712 1.00 34.23 H new ATOM 0 HD11 LEU A 413 -14.435 33.057 2.183 1.00 11.05 H new ATOM 0 HD12 LEU A 413 -13.898 32.929 3.874 1.00 11.05 H new ATOM 0 HD13 LEU A 413 -14.696 31.547 3.087 1.00 11.05 H new ATOM 0 HD21 LEU A 413 -16.818 33.229 1.637 1.00 4.22 H new ATOM 0 HD22 LEU A 413 -17.155 31.713 2.506 1.00 4.22 H new ATOM 0 HD23 LEU A 413 -18.034 33.200 2.936 1.00 4.22 H new ATOM 175 N LEU A 414 -17.248 32.660 7.933 1.00 13.34 N ATOM 176 CA LEU A 414 -17.393 32.063 9.253 1.00 13.44 C ATOM 177 C LEU A 414 -18.847 32.113 9.699 1.00 64.23 C ATOM 178 O LEU A 414 -19.368 31.151 10.268 1.00 14.33 O ATOM 179 CB LEU A 414 -16.501 32.801 10.266 1.00 61.02 C ATOM 180 CG LEU A 414 -16.539 32.299 11.714 1.00 71.52 C ATOM 181 CD1 LEU A 414 -16.091 30.847 11.806 1.00 31.12 C ATOM 182 CD2 LEU A 414 -15.687 33.181 12.605 1.00 41.20 C ATOM 0 H LEU A 414 -16.599 33.446 7.903 1.00 13.34 H new ATOM 0 HA LEU A 414 -17.081 31.020 9.202 1.00 13.44 H new ATOM 0 HB2 LEU A 414 -15.471 32.747 9.914 1.00 61.02 H new ATOM 0 HB3 LEU A 414 -16.783 33.854 10.264 1.00 61.02 H new ATOM 0 HG LEU A 414 -17.571 32.351 12.061 1.00 71.52 H new ATOM 0 HD11 LEU A 414 -16.129 30.520 12.845 1.00 31.12 H new ATOM 0 HD12 LEU A 414 -16.753 30.223 11.205 1.00 31.12 H new ATOM 0 HD13 LEU A 414 -15.070 30.757 11.434 1.00 31.12 H new ATOM 0 HD21 LEU A 414 -15.726 32.810 13.629 1.00 41.20 H new ATOM 0 HD22 LEU A 414 -14.656 33.166 12.253 1.00 41.20 H new ATOM 0 HD23 LEU A 414 -16.066 34.203 12.575 1.00 41.20 H new ATOM 194 N TRP A 415 -19.503 33.220 9.398 1.00 23.25 N ATOM 195 CA TRP A 415 -20.892 33.418 9.746 1.00 40.22 C ATOM 196 C TRP A 415 -21.772 32.383 9.031 1.00 74.52 C ATOM 197 O TRP A 415 -22.682 31.786 9.636 1.00 71.23 O ATOM 198 CB TRP A 415 -21.331 34.845 9.385 1.00 64.41 C ATOM 199 CG TRP A 415 -22.732 35.173 9.802 1.00 73.30 C ATOM 200 CD1 TRP A 415 -23.870 35.035 9.062 1.00 24.13 C ATOM 201 CD2 TRP A 415 -23.137 35.701 11.067 1.00 25.21 C ATOM 202 NE1 TRP A 415 -24.952 35.437 9.797 1.00 22.31 N ATOM 203 CE2 TRP A 415 -24.531 35.852 11.028 1.00 32.01 C ATOM 204 CE3 TRP A 415 -22.455 36.058 12.228 1.00 13.43 C ATOM 205 CZ2 TRP A 415 -25.258 36.345 12.104 1.00 42.53 C ATOM 206 CZ3 TRP A 415 -23.174 36.548 13.297 1.00 32.25 C ATOM 207 CH2 TRP A 415 -24.563 36.688 13.230 1.00 65.34 C ATOM 0 H TRP A 415 -19.083 34.007 8.904 1.00 23.25 H new ATOM 0 HA TRP A 415 -21.008 33.283 10.821 1.00 40.22 H new ATOM 0 HB2 TRP A 415 -20.648 35.554 9.853 1.00 64.41 H new ATOM 0 HB3 TRP A 415 -21.242 34.980 8.307 1.00 64.41 H new ATOM 0 HD1 TRP A 415 -23.911 34.664 8.048 1.00 24.13 H new ATOM 0 HE1 TRP A 415 -25.920 35.428 9.476 1.00 22.31 H new ATOM 0 HE3 TRP A 415 -21.382 35.953 12.289 1.00 13.43 H new ATOM 0 HZ2 TRP A 415 -26.331 36.453 12.053 1.00 42.53 H new ATOM 0 HZ3 TRP A 415 -22.655 36.829 14.202 1.00 32.25 H new ATOM 0 HH2 TRP A 415 -25.098 37.075 14.085 1.00 65.34 H new ATOM 218 N PHE A 416 -21.495 32.152 7.764 1.00 54.13 N ATOM 219 CA PHE A 416 -22.258 31.187 6.998 1.00 3.12 C ATOM 220 C PHE A 416 -21.903 29.763 7.394 1.00 31.03 C ATOM 221 O PHE A 416 -22.741 28.859 7.312 1.00 71.53 O ATOM 222 CB PHE A 416 -22.124 31.394 5.485 1.00 21.42 C ATOM 223 CG PHE A 416 -22.667 32.707 5.001 1.00 22.21 C ATOM 224 CD1 PHE A 416 -24.026 32.970 5.058 1.00 41.43 C ATOM 225 CD2 PHE A 416 -21.827 33.676 4.481 1.00 42.15 C ATOM 226 CE1 PHE A 416 -24.535 34.171 4.611 1.00 33.11 C ATOM 227 CE2 PHE A 416 -22.328 34.879 4.033 1.00 23.34 C ATOM 228 CZ PHE A 416 -23.681 35.127 4.099 1.00 5.31 C ATOM 0 H PHE A 416 -20.751 32.617 7.244 1.00 54.13 H new ATOM 0 HA PHE A 416 -23.307 31.355 7.243 1.00 3.12 H new ATOM 0 HB2 PHE A 416 -21.072 31.324 5.210 1.00 21.42 H new ATOM 0 HB3 PHE A 416 -22.643 30.585 4.970 1.00 21.42 H new ATOM 0 HD1 PHE A 416 -24.696 32.224 5.458 1.00 41.43 H new ATOM 0 HD2 PHE A 416 -20.765 33.487 4.426 1.00 42.15 H new ATOM 0 HE1 PHE A 416 -25.597 34.363 4.661 1.00 33.11 H new ATOM 0 HE2 PHE A 416 -21.660 35.626 3.631 1.00 23.34 H new ATOM 0 HZ PHE A 416 -24.074 36.070 3.750 1.00 5.31 H new ATOM 238 N GLU A 417 -20.684 29.569 7.855 1.00 50.33 N ATOM 239 CA GLU A 417 -20.229 28.273 8.275 1.00 4.55 C ATOM 240 C GLU A 417 -20.888 27.874 9.550 1.00 22.03 C ATOM 241 O GLU A 417 -21.394 26.774 9.665 1.00 33.15 O ATOM 242 CB GLU A 417 -18.729 28.240 8.467 1.00 41.44 C ATOM 243 CG GLU A 417 -17.912 28.297 7.207 1.00 14.53 C ATOM 244 CD GLU A 417 -16.454 28.151 7.519 1.00 35.34 C ATOM 245 OE1 GLU A 417 -15.679 29.077 7.267 1.00 62.32 O ATOM 246 OE2 GLU A 417 -16.067 27.084 8.065 1.00 14.24 O ATOM 0 H GLU A 417 -19.987 30.308 7.946 1.00 50.33 H new ATOM 0 HA GLU A 417 -20.495 27.571 7.484 1.00 4.55 H new ATOM 0 HB2 GLU A 417 -18.443 29.078 9.102 1.00 41.44 H new ATOM 0 HB3 GLU A 417 -18.470 27.329 9.006 1.00 41.44 H new ATOM 0 HG2 GLU A 417 -18.225 27.505 6.527 1.00 14.53 H new ATOM 0 HG3 GLU A 417 -18.087 29.243 6.696 1.00 14.53 H new ATOM 253 N GLN A 418 -20.911 28.782 10.503 1.00 3.12 N ATOM 254 CA GLN A 418 -21.468 28.488 11.801 1.00 2.24 C ATOM 255 C GLN A 418 -22.984 28.283 11.740 1.00 60.14 C ATOM 256 O GLN A 418 -23.580 27.678 12.626 1.00 25.24 O ATOM 257 CB GLN A 418 -20.996 29.519 12.867 1.00 60.14 C ATOM 258 CG GLN A 418 -21.428 30.990 12.687 1.00 73.00 C ATOM 259 CD GLN A 418 -22.887 31.257 13.002 1.00 75.03 C ATOM 260 OE1 GLN A 418 -23.487 30.584 13.827 1.00 23.01 O ATOM 261 NE2 GLN A 418 -23.456 32.257 12.376 1.00 21.51 N ATOM 0 H GLN A 418 -20.549 29.730 10.400 1.00 3.12 H new ATOM 0 HA GLN A 418 -21.074 27.528 12.135 1.00 2.24 H new ATOM 0 HB2 GLN A 418 -21.353 29.182 13.840 1.00 60.14 H new ATOM 0 HB3 GLN A 418 -19.907 29.492 12.900 1.00 60.14 H new ATOM 0 HG2 GLN A 418 -20.810 31.619 13.328 1.00 73.00 H new ATOM 0 HG3 GLN A 418 -21.230 31.291 11.658 1.00 73.00 H new ATOM 0 HE21 GLN A 418 -22.926 32.799 11.693 1.00 21.51 H new ATOM 0 HE22 GLN A 418 -24.429 32.494 12.572 1.00 21.51 H new ATOM 270 N SER A 419 -23.589 28.761 10.667 1.00 25.12 N ATOM 271 CA SER A 419 -25.007 28.583 10.449 1.00 71.23 C ATOM 272 C SER A 419 -25.268 27.334 9.585 1.00 1.42 C ATOM 273 O SER A 419 -26.402 26.895 9.443 1.00 62.14 O ATOM 274 CB SER A 419 -25.588 29.829 9.774 1.00 3.25 C ATOM 275 OG SER A 419 -25.335 30.992 10.557 1.00 15.24 O ATOM 0 H SER A 419 -23.112 29.279 9.929 1.00 25.12 H new ATOM 0 HA SER A 419 -25.496 28.440 11.412 1.00 71.23 H new ATOM 0 HB2 SER A 419 -25.150 29.949 8.783 1.00 3.25 H new ATOM 0 HB3 SER A 419 -26.662 29.705 9.634 1.00 3.25 H new ATOM 0 HG SER A 419 -24.514 31.425 10.243 1.00 15.24 H new ATOM 281 N GLY A 420 -24.200 26.774 9.011 1.00 21.54 N ATOM 282 CA GLY A 420 -24.324 25.618 8.134 1.00 2.30 C ATOM 283 C GLY A 420 -24.925 25.992 6.790 1.00 63.54 C ATOM 284 O GLY A 420 -25.329 25.126 6.017 1.00 60.51 O ATOM 0 H GLY A 420 -23.244 27.105 9.140 1.00 21.54 H new ATOM 0 HA2 GLY A 420 -23.342 25.171 7.981 1.00 2.30 H new ATOM 0 HA3 GLY A 420 -24.947 24.863 8.613 1.00 2.30 H new ATOM 288 N ALA A 421 -24.916 27.287 6.500 1.00 14.54 N ATOM 289 CA ALA A 421 -25.550 27.856 5.314 1.00 71.35 C ATOM 290 C ALA A 421 -24.819 27.476 4.038 1.00 42.43 C ATOM 291 O ALA A 421 -25.405 27.450 2.959 1.00 52.31 O ATOM 292 CB ALA A 421 -25.626 29.368 5.451 1.00 21.21 C ATOM 0 H ALA A 421 -24.461 27.984 7.090 1.00 14.54 H new ATOM 0 HA ALA A 421 -26.556 27.443 5.242 1.00 71.35 H new ATOM 0 HB1 ALA A 421 -26.099 29.790 4.565 1.00 21.21 H new ATOM 0 HB2 ALA A 421 -26.213 29.624 6.333 1.00 21.21 H new ATOM 0 HB3 ALA A 421 -24.620 29.775 5.554 1.00 21.21 H new ATOM 535 N MET A 437 -12.124 14.359 -9.978 1.00 63.44 N ATOM 536 CA MET A 437 -10.791 14.678 -10.482 1.00 53.30 C ATOM 537 C MET A 437 -10.041 13.427 -10.921 1.00 60.25 C ATOM 538 O MET A 437 -10.145 12.378 -10.284 1.00 74.24 O ATOM 539 CB MET A 437 -9.957 15.441 -9.437 1.00 71.14 C ATOM 540 CG MET A 437 -10.517 16.794 -9.048 1.00 23.34 C ATOM 541 SD MET A 437 -10.662 17.930 -10.442 1.00 4.44 S ATOM 542 CE MET A 437 -11.389 19.346 -9.617 1.00 12.14 C ATOM 0 HA MET A 437 -10.934 15.320 -11.351 1.00 53.30 H new ATOM 0 HB2 MET A 437 -9.872 14.827 -8.541 1.00 71.14 H new ATOM 0 HB3 MET A 437 -8.948 15.578 -9.827 1.00 71.14 H new ATOM 0 HG2 MET A 437 -11.499 16.657 -8.595 1.00 23.34 H new ATOM 0 HG3 MET A 437 -9.875 17.241 -8.289 1.00 23.34 H new ATOM 0 HE1 MET A 437 -11.547 20.147 -10.340 1.00 12.14 H new ATOM 0 HE2 MET A 437 -12.345 19.060 -9.178 1.00 12.14 H new ATOM 0 HE3 MET A 437 -10.718 19.693 -8.831 1.00 12.14 H new ATOM 552 N PRO A 438 -9.239 13.544 -12.011 1.00 74.34 N ATOM 553 CA PRO A 438 -8.433 12.436 -12.583 1.00 15.40 C ATOM 554 C PRO A 438 -7.549 11.751 -11.545 1.00 40.13 C ATOM 555 O PRO A 438 -7.197 10.578 -11.686 1.00 20.23 O ATOM 556 CB PRO A 438 -7.565 13.128 -13.651 1.00 60.33 C ATOM 557 CG PRO A 438 -7.677 14.583 -13.353 1.00 11.04 C ATOM 558 CD PRO A 438 -9.046 14.775 -12.790 1.00 51.55 C ATOM 0 HA PRO A 438 -9.069 11.644 -12.978 1.00 15.40 H new ATOM 0 HB2 PRO A 438 -6.529 12.792 -13.597 1.00 60.33 H new ATOM 0 HB3 PRO A 438 -7.921 12.902 -14.656 1.00 60.33 H new ATOM 0 HG2 PRO A 438 -6.913 14.897 -12.641 1.00 11.04 H new ATOM 0 HG3 PRO A 438 -7.537 15.179 -14.255 1.00 11.04 H new ATOM 0 HD2 PRO A 438 -9.107 15.666 -12.165 1.00 51.55 H new ATOM 0 HD3 PRO A 438 -9.796 14.883 -13.573 1.00 51.55 H new ATOM 566 N GLN A 439 -7.203 12.503 -10.513 1.00 24.32 N ATOM 567 CA GLN A 439 -6.330 12.062 -9.438 1.00 33.20 C ATOM 568 C GLN A 439 -6.843 10.759 -8.812 1.00 62.21 C ATOM 569 O GLN A 439 -6.083 9.809 -8.638 1.00 71.11 O ATOM 570 CB GLN A 439 -6.288 13.143 -8.359 1.00 63.54 C ATOM 571 CG GLN A 439 -5.921 14.524 -8.883 1.00 72.03 C ATOM 572 CD GLN A 439 -5.903 15.574 -7.797 1.00 35.51 C ATOM 573 OE1 GLN A 439 -5.601 15.290 -6.636 1.00 35.24 O ATOM 574 NE2 GLN A 439 -6.243 16.783 -8.153 1.00 21.12 N ATOM 0 H GLN A 439 -7.530 13.462 -10.397 1.00 24.32 H new ATOM 0 HA GLN A 439 -5.336 11.885 -9.848 1.00 33.20 H new ATOM 0 HB2 GLN A 439 -7.263 13.196 -7.874 1.00 63.54 H new ATOM 0 HB3 GLN A 439 -5.567 12.852 -7.595 1.00 63.54 H new ATOM 0 HG2 GLN A 439 -4.940 14.480 -9.356 1.00 72.03 H new ATOM 0 HG3 GLN A 439 -6.634 14.817 -9.654 1.00 72.03 H new ATOM 0 HE21 GLN A 439 -6.486 16.979 -9.124 1.00 21.12 H new ATOM 0 HE22 GLN A 439 -6.265 17.531 -7.460 1.00 21.12 H new ATOM 583 N VAL A 440 -8.140 10.695 -8.529 1.00 43.05 N ATOM 584 CA VAL A 440 -8.698 9.512 -7.898 1.00 72.30 C ATOM 585 C VAL A 440 -8.754 8.343 -8.903 1.00 3.12 C ATOM 586 O VAL A 440 -8.580 7.178 -8.533 1.00 64.54 O ATOM 587 CB VAL A 440 -10.087 9.784 -7.229 1.00 2.33 C ATOM 588 CG1 VAL A 440 -11.157 10.130 -8.240 1.00 75.21 C ATOM 589 CG2 VAL A 440 -10.517 8.624 -6.348 1.00 53.20 C ATOM 0 H VAL A 440 -8.812 11.437 -8.724 1.00 43.05 H new ATOM 0 HA VAL A 440 -8.031 9.227 -7.084 1.00 72.30 H new ATOM 0 HB VAL A 440 -9.959 10.659 -6.592 1.00 2.33 H new ATOM 0 HG11 VAL A 440 -12.100 10.309 -7.724 1.00 75.21 H new ATOM 0 HG12 VAL A 440 -10.865 11.027 -8.786 1.00 75.21 H new ATOM 0 HG13 VAL A 440 -11.277 9.303 -8.940 1.00 75.21 H new ATOM 0 HG21 VAL A 440 -11.485 8.847 -5.900 1.00 53.20 H new ATOM 0 HG22 VAL A 440 -10.596 7.719 -6.951 1.00 53.20 H new ATOM 0 HG23 VAL A 440 -9.779 8.472 -5.560 1.00 53.20 H new ATOM 599 N LEU A 441 -8.934 8.677 -10.185 1.00 55.14 N ATOM 600 CA LEU A 441 -8.943 7.678 -11.257 1.00 62.21 C ATOM 601 C LEU A 441 -7.559 7.067 -11.428 1.00 74.44 C ATOM 602 O LEU A 441 -7.420 5.902 -11.818 1.00 63.52 O ATOM 603 CB LEU A 441 -9.460 8.237 -12.617 1.00 41.22 C ATOM 604 CG LEU A 441 -10.961 8.619 -12.730 1.00 62.32 C ATOM 605 CD1 LEU A 441 -11.865 7.455 -12.358 1.00 21.23 C ATOM 606 CD2 LEU A 441 -11.307 9.863 -11.933 1.00 0.33 C ATOM 0 H LEU A 441 -9.076 9.635 -10.506 1.00 55.14 H new ATOM 0 HA LEU A 441 -9.648 6.905 -10.951 1.00 62.21 H new ATOM 0 HB2 LEU A 441 -8.872 9.122 -12.858 1.00 41.22 H new ATOM 0 HB3 LEU A 441 -9.247 7.494 -13.385 1.00 41.22 H new ATOM 0 HG LEU A 441 -11.140 8.858 -13.778 1.00 62.32 H new ATOM 0 HD11 LEU A 441 -12.907 7.760 -12.449 1.00 21.23 H new ATOM 0 HD12 LEU A 441 -11.673 6.617 -13.027 1.00 21.23 H new ATOM 0 HD13 LEU A 441 -11.664 7.152 -11.330 1.00 21.23 H new ATOM 0 HD21 LEU A 441 -12.368 10.085 -12.047 1.00 0.33 H new ATOM 0 HD22 LEU A 441 -11.083 9.694 -10.880 1.00 0.33 H new ATOM 0 HD23 LEU A 441 -10.719 10.705 -12.299 1.00 0.33 H new ATOM 618 N HIS A 442 -6.537 7.860 -11.142 1.00 12.15 N ATOM 619 CA HIS A 442 -5.161 7.398 -11.207 1.00 53.44 C ATOM 620 C HIS A 442 -4.972 6.248 -10.219 1.00 24.21 C ATOM 621 O HIS A 442 -4.484 5.187 -10.584 1.00 10.12 O ATOM 622 CB HIS A 442 -4.198 8.557 -10.875 1.00 12.42 C ATOM 623 CG HIS A 442 -2.738 8.234 -11.051 1.00 4.21 C ATOM 624 ND1 HIS A 442 -1.830 8.169 -10.009 1.00 73.21 N ATOM 625 CD2 HIS A 442 -2.024 8.006 -12.174 1.00 14.20 C ATOM 626 CE1 HIS A 442 -0.634 7.920 -10.497 1.00 14.12 C ATOM 627 NE2 HIS A 442 -0.728 7.815 -11.800 1.00 0.51 N ATOM 0 H HIS A 442 -6.638 8.835 -10.860 1.00 12.15 H new ATOM 0 HA HIS A 442 -4.940 7.046 -12.215 1.00 53.44 H new ATOM 0 HB2 HIS A 442 -4.446 9.409 -11.507 1.00 12.42 H new ATOM 0 HB3 HIS A 442 -4.366 8.866 -9.843 1.00 12.42 H new ATOM 0 HD2 HIS A 442 -2.409 7.980 -13.183 1.00 14.20 H new ATOM 0 HE1 HIS A 442 0.274 7.819 -9.920 1.00 14.12 H new ATOM 0 HE2 HIS A 442 0.047 7.621 -12.434 1.00 0.51 H new ATOM 636 N TYR A 443 -5.430 6.454 -8.983 1.00 72.15 N ATOM 637 CA TYR A 443 -5.352 5.427 -7.933 1.00 62.11 C ATOM 638 C TYR A 443 -6.266 4.266 -8.250 1.00 71.21 C ATOM 639 O TYR A 443 -6.005 3.131 -7.855 1.00 75.05 O ATOM 640 CB TYR A 443 -5.697 5.997 -6.556 1.00 32.32 C ATOM 641 CG TYR A 443 -4.729 7.037 -6.054 1.00 2.33 C ATOM 642 CD1 TYR A 443 -3.582 6.670 -5.370 1.00 45.34 C ATOM 643 CD2 TYR A 443 -4.964 8.383 -6.258 1.00 22.43 C ATOM 644 CE1 TYR A 443 -2.694 7.622 -4.905 1.00 60.03 C ATOM 645 CE2 TYR A 443 -4.088 9.341 -5.802 1.00 34.32 C ATOM 646 CZ TYR A 443 -2.955 8.959 -5.127 1.00 22.42 C ATOM 647 OH TYR A 443 -2.075 9.920 -4.667 1.00 65.45 O ATOM 0 H TYR A 443 -5.862 7.327 -8.680 1.00 72.15 H new ATOM 0 HA TYR A 443 -4.321 5.074 -7.906 1.00 62.11 H new ATOM 0 HB2 TYR A 443 -6.694 6.436 -6.597 1.00 32.32 H new ATOM 0 HB3 TYR A 443 -5.738 5.179 -5.837 1.00 32.32 H new ATOM 0 HD1 TYR A 443 -3.378 5.624 -5.197 1.00 45.34 H new ATOM 0 HD2 TYR A 443 -5.854 8.690 -6.787 1.00 22.43 H new ATOM 0 HE1 TYR A 443 -1.804 7.322 -4.373 1.00 60.03 H new ATOM 0 HE2 TYR A 443 -4.290 10.388 -5.974 1.00 34.32 H new ATOM 0 HH TYR A 443 -2.407 10.810 -4.908 1.00 65.45 H new ATOM 657 N ALA A 444 -7.323 4.564 -8.973 1.00 14.12 N ATOM 658 CA ALA A 444 -8.326 3.590 -9.361 1.00 51.33 C ATOM 659 C ALA A 444 -7.736 2.503 -10.248 1.00 40.12 C ATOM 660 O ALA A 444 -8.154 1.345 -10.192 1.00 73.21 O ATOM 661 CB ALA A 444 -9.496 4.270 -10.042 1.00 53.40 C ATOM 0 H ALA A 444 -7.515 5.506 -9.315 1.00 14.12 H new ATOM 0 HA ALA A 444 -8.690 3.108 -8.453 1.00 51.33 H new ATOM 0 HB1 ALA A 444 -10.237 3.522 -10.325 1.00 53.40 H new ATOM 0 HB2 ALA A 444 -9.948 4.988 -9.358 1.00 53.40 H new ATOM 0 HB3 ALA A 444 -9.146 4.790 -10.934 1.00 53.40 H new ATOM 667 N GLN A 445 -6.768 2.873 -11.063 1.00 72.45 N ATOM 668 CA GLN A 445 -6.087 1.910 -11.911 1.00 34.54 C ATOM 669 C GLN A 445 -5.172 1.028 -11.069 1.00 53.20 C ATOM 670 O GLN A 445 -4.964 -0.140 -11.374 1.00 4.31 O ATOM 671 CB GLN A 445 -5.280 2.614 -13.004 1.00 2.24 C ATOM 672 CG GLN A 445 -6.104 3.454 -13.979 1.00 11.22 C ATOM 673 CD GLN A 445 -7.075 2.645 -14.852 1.00 74.34 C ATOM 674 OE1 GLN A 445 -7.601 1.596 -14.455 1.00 44.42 O ATOM 675 NE2 GLN A 445 -7.300 3.123 -16.046 1.00 74.33 N ATOM 0 H GLN A 445 -6.434 3.832 -11.157 1.00 72.45 H new ATOM 0 HA GLN A 445 -6.840 1.287 -12.393 1.00 34.54 H new ATOM 0 HB2 GLN A 445 -4.540 3.258 -12.529 1.00 2.24 H new ATOM 0 HB3 GLN A 445 -4.731 1.862 -13.571 1.00 2.24 H new ATOM 0 HG2 GLN A 445 -6.673 4.192 -13.413 1.00 11.22 H new ATOM 0 HG3 GLN A 445 -5.424 4.005 -14.629 1.00 11.22 H new ATOM 0 HE21 GLN A 445 -6.851 3.990 -16.341 1.00 74.33 H new ATOM 0 HE22 GLN A 445 -7.925 2.630 -16.683 1.00 74.33 H new ATOM 684 N TYR A 446 -4.638 1.603 -10.006 1.00 4.05 N ATOM 685 CA TYR A 446 -3.759 0.895 -9.089 1.00 12.52 C ATOM 686 C TYR A 446 -4.520 -0.062 -8.171 1.00 24.40 C ATOM 687 O TYR A 446 -4.127 -1.223 -7.998 1.00 0.43 O ATOM 688 CB TYR A 446 -2.897 1.872 -8.296 1.00 72.41 C ATOM 689 CG TYR A 446 -1.867 2.579 -9.150 1.00 64.21 C ATOM 690 CD1 TYR A 446 -0.740 1.908 -9.607 1.00 61.51 C ATOM 691 CD2 TYR A 446 -2.013 3.902 -9.495 1.00 40.42 C ATOM 692 CE1 TYR A 446 0.207 2.545 -10.378 1.00 31.43 C ATOM 693 CE2 TYR A 446 -1.075 4.547 -10.267 1.00 33.41 C ATOM 694 CZ TYR A 446 0.030 3.868 -10.706 1.00 51.45 C ATOM 695 OH TYR A 446 0.967 4.518 -11.470 1.00 52.25 O ATOM 0 H TYR A 446 -4.802 2.577 -9.753 1.00 4.05 H new ATOM 0 HA TYR A 446 -3.096 0.276 -9.694 1.00 12.52 H new ATOM 0 HB2 TYR A 446 -3.540 2.614 -7.823 1.00 72.41 H new ATOM 0 HB3 TYR A 446 -2.390 1.333 -7.496 1.00 72.41 H new ATOM 0 HD1 TYR A 446 -0.604 0.867 -9.353 1.00 61.51 H new ATOM 0 HD2 TYR A 446 -2.881 4.445 -9.153 1.00 40.42 H new ATOM 0 HE1 TYR A 446 1.080 2.010 -10.721 1.00 31.43 H new ATOM 0 HE2 TYR A 446 -1.210 5.587 -10.526 1.00 33.41 H new ATOM 0 HH TYR A 446 0.688 5.447 -11.610 1.00 52.25 H new ATOM 705 N VAL A 447 -5.617 0.420 -7.601 1.00 64.32 N ATOM 706 CA VAL A 447 -6.457 -0.379 -6.696 1.00 10.35 C ATOM 707 C VAL A 447 -7.072 -1.562 -7.459 1.00 12.51 C ATOM 708 O VAL A 447 -7.365 -2.616 -6.885 1.00 44.43 O ATOM 709 CB VAL A 447 -7.561 0.481 -5.996 1.00 21.01 C ATOM 710 CG1 VAL A 447 -8.582 0.998 -6.980 1.00 15.23 C ATOM 711 CG2 VAL A 447 -8.232 -0.276 -4.861 1.00 64.24 C ATOM 0 H VAL A 447 -5.955 1.371 -7.747 1.00 64.32 H new ATOM 0 HA VAL A 447 -5.818 -0.765 -5.902 1.00 10.35 H new ATOM 0 HB VAL A 447 -7.056 1.345 -5.564 1.00 21.01 H new ATOM 0 HG11 VAL A 447 -9.330 1.590 -6.452 1.00 15.23 H new ATOM 0 HG12 VAL A 447 -8.087 1.621 -7.725 1.00 15.23 H new ATOM 0 HG13 VAL A 447 -9.068 0.157 -7.475 1.00 15.23 H new ATOM 0 HG21 VAL A 447 -8.992 0.356 -4.401 1.00 64.24 H new ATOM 0 HG22 VAL A 447 -8.700 -1.179 -5.253 1.00 64.24 H new ATOM 0 HG23 VAL A 447 -7.486 -0.548 -4.114 1.00 64.24 H new ATOM 721 N LEU A 448 -7.257 -1.360 -8.762 1.00 73.41 N ATOM 722 CA LEU A 448 -7.792 -2.341 -9.666 1.00 52.41 C ATOM 723 C LEU A 448 -7.046 -3.685 -9.558 1.00 33.50 C ATOM 724 O LEU A 448 -7.673 -4.744 -9.577 1.00 50.03 O ATOM 725 CB LEU A 448 -7.675 -1.794 -11.077 1.00 14.35 C ATOM 726 CG LEU A 448 -8.115 -2.703 -12.187 1.00 32.53 C ATOM 727 CD1 LEU A 448 -9.612 -2.985 -12.113 1.00 11.51 C ATOM 728 CD2 LEU A 448 -7.710 -2.144 -13.533 1.00 74.53 C ATOM 0 H LEU A 448 -7.027 -0.477 -9.219 1.00 73.41 H new ATOM 0 HA LEU A 448 -8.834 -2.532 -9.409 1.00 52.41 H new ATOM 0 HB2 LEU A 448 -8.259 -0.876 -11.136 1.00 14.35 H new ATOM 0 HB3 LEU A 448 -6.634 -1.521 -11.252 1.00 14.35 H new ATOM 0 HG LEU A 448 -7.606 -3.659 -12.064 1.00 32.53 H new ATOM 0 HD11 LEU A 448 -9.899 -3.646 -12.931 1.00 11.51 H new ATOM 0 HD12 LEU A 448 -9.846 -3.462 -11.161 1.00 11.51 H new ATOM 0 HD13 LEU A 448 -10.163 -2.048 -12.194 1.00 11.51 H new ATOM 0 HD21 LEU A 448 -8.040 -2.820 -14.322 1.00 74.53 H new ATOM 0 HD22 LEU A 448 -8.172 -1.167 -13.675 1.00 74.53 H new ATOM 0 HD23 LEU A 448 -6.626 -2.041 -13.573 1.00 74.53 H new ATOM 740 N LEU A 449 -5.718 -3.641 -9.413 1.00 2.21 N ATOM 741 CA LEU A 449 -4.926 -4.877 -9.280 1.00 71.23 C ATOM 742 C LEU A 449 -5.296 -5.621 -8.006 1.00 30.41 C ATOM 743 O LEU A 449 -5.285 -6.849 -7.967 1.00 14.44 O ATOM 744 CB LEU A 449 -3.397 -4.640 -9.334 1.00 63.12 C ATOM 745 CG LEU A 449 -2.776 -4.186 -10.677 1.00 65.03 C ATOM 746 CD1 LEU A 449 -3.243 -2.808 -11.090 1.00 13.02 C ATOM 747 CD2 LEU A 449 -1.260 -4.237 -10.607 1.00 65.25 C ATOM 0 H LEU A 449 -5.172 -2.780 -9.384 1.00 2.21 H new ATOM 0 HA LEU A 449 -5.178 -5.488 -10.147 1.00 71.23 H new ATOM 0 HB2 LEU A 449 -3.149 -3.891 -8.582 1.00 63.12 H new ATOM 0 HB3 LEU A 449 -2.905 -5.566 -9.036 1.00 63.12 H new ATOM 0 HG LEU A 449 -3.120 -4.883 -11.441 1.00 65.03 H new ATOM 0 HD11 LEU A 449 -2.779 -2.536 -12.038 1.00 13.02 H new ATOM 0 HD12 LEU A 449 -4.327 -2.810 -11.204 1.00 13.02 H new ATOM 0 HD13 LEU A 449 -2.960 -2.084 -10.326 1.00 13.02 H new ATOM 0 HD21 LEU A 449 -0.841 -3.914 -11.560 1.00 65.25 H new ATOM 0 HD22 LEU A 449 -0.910 -3.576 -9.814 1.00 65.25 H new ATOM 0 HD23 LEU A 449 -0.940 -5.257 -10.396 1.00 65.25 H new ATOM 759 N GLY A 450 -5.652 -4.868 -6.976 1.00 1.44 N ATOM 760 CA GLY A 450 -6.063 -5.456 -5.720 1.00 54.52 C ATOM 761 C GLY A 450 -7.409 -6.129 -5.844 1.00 61.21 C ATOM 762 O GLY A 450 -7.655 -7.174 -5.234 1.00 40.23 O ATOM 0 H GLY A 450 -5.663 -3.848 -6.990 1.00 1.44 H new ATOM 0 HA2 GLY A 450 -5.319 -6.183 -5.396 1.00 54.52 H new ATOM 0 HA3 GLY A 450 -6.109 -4.684 -4.952 1.00 54.52 H new ATOM 766 N LEU A 451 -8.285 -5.533 -6.631 1.00 32.03 N ATOM 767 CA LEU A 451 -9.589 -6.118 -6.903 1.00 30.41 C ATOM 768 C LEU A 451 -9.406 -7.354 -7.780 1.00 34.42 C ATOM 769 O LEU A 451 -10.074 -8.372 -7.598 1.00 53.32 O ATOM 770 CB LEU A 451 -10.506 -5.101 -7.598 1.00 41.13 C ATOM 771 CG LEU A 451 -11.923 -5.590 -7.939 1.00 14.21 C ATOM 772 CD1 LEU A 451 -12.693 -5.964 -6.678 1.00 51.34 C ATOM 773 CD2 LEU A 451 -12.672 -4.539 -8.732 1.00 70.23 C ATOM 0 H LEU A 451 -8.118 -4.641 -7.096 1.00 32.03 H new ATOM 0 HA LEU A 451 -10.059 -6.403 -5.962 1.00 30.41 H new ATOM 0 HB2 LEU A 451 -10.591 -4.223 -6.958 1.00 41.13 H new ATOM 0 HB3 LEU A 451 -10.023 -4.778 -8.520 1.00 41.13 H new ATOM 0 HG LEU A 451 -11.832 -6.486 -8.553 1.00 14.21 H new ATOM 0 HD11 LEU A 451 -13.692 -6.306 -6.950 1.00 51.34 H new ATOM 0 HD12 LEU A 451 -12.166 -6.761 -6.153 1.00 51.34 H new ATOM 0 HD13 LEU A 451 -12.772 -5.092 -6.028 1.00 51.34 H new ATOM 0 HD21 LEU A 451 -13.673 -4.903 -8.964 1.00 70.23 H new ATOM 0 HD22 LEU A 451 -12.746 -3.624 -8.144 1.00 70.23 H new ATOM 0 HD23 LEU A 451 -12.137 -4.333 -9.659 1.00 70.23 H new ATOM 785 N GLY A 452 -8.471 -7.254 -8.717 1.00 23.33 N ATOM 786 CA GLY A 452 -8.158 -8.362 -9.601 1.00 11.34 C ATOM 787 C GLY A 452 -7.581 -9.529 -8.836 1.00 72.12 C ATOM 788 O GLY A 452 -7.838 -10.691 -9.160 1.00 35.02 O ATOM 0 H GLY A 452 -7.917 -6.414 -8.882 1.00 23.33 H new ATOM 0 HA2 GLY A 452 -9.060 -8.678 -10.125 1.00 11.34 H new ATOM 0 HA3 GLY A 452 -7.447 -8.035 -10.360 1.00 11.34 H new ATOM 792 N GLY A 453 -6.800 -9.215 -7.819 1.00 24.34 N ATOM 793 CA GLY A 453 -6.242 -10.226 -6.964 1.00 53.44 C ATOM 794 C GLY A 453 -7.323 -10.952 -6.208 1.00 42.43 C ATOM 795 O GLY A 453 -7.355 -12.173 -6.183 1.00 4.11 O ATOM 0 H GLY A 453 -6.541 -8.260 -7.571 1.00 24.34 H new ATOM 0 HA2 GLY A 453 -5.671 -10.937 -7.561 1.00 53.44 H new ATOM 0 HA3 GLY A 453 -5.546 -9.769 -6.261 1.00 53.44 H new ATOM 799 N LEU A 454 -8.240 -10.185 -5.623 1.00 10.43 N ATOM 800 CA LEU A 454 -9.375 -10.737 -4.878 1.00 43.51 C ATOM 801 C LEU A 454 -10.211 -11.629 -5.816 1.00 13.31 C ATOM 802 O LEU A 454 -10.682 -12.697 -5.424 1.00 40.02 O ATOM 803 CB LEU A 454 -10.213 -9.558 -4.269 1.00 2.14 C ATOM 804 CG LEU A 454 -11.401 -9.873 -3.302 1.00 45.04 C ATOM 805 CD1 LEU A 454 -12.581 -10.545 -3.998 1.00 33.53 C ATOM 806 CD2 LEU A 454 -10.927 -10.713 -2.122 1.00 43.31 C ATOM 0 H LEU A 454 -8.220 -9.166 -5.650 1.00 10.43 H new ATOM 0 HA LEU A 454 -9.033 -11.359 -4.051 1.00 43.51 H new ATOM 0 HB2 LEU A 454 -9.521 -8.908 -3.734 1.00 2.14 H new ATOM 0 HB3 LEU A 454 -10.614 -8.980 -5.101 1.00 2.14 H new ATOM 0 HG LEU A 454 -11.763 -8.912 -2.937 1.00 45.04 H new ATOM 0 HD11 LEU A 454 -13.371 -10.736 -3.272 1.00 33.53 H new ATOM 0 HD12 LEU A 454 -12.961 -9.891 -4.783 1.00 33.53 H new ATOM 0 HD13 LEU A 454 -12.255 -11.488 -4.437 1.00 33.53 H new ATOM 0 HD21 LEU A 454 -11.769 -10.921 -1.462 1.00 43.31 H new ATOM 0 HD22 LEU A 454 -10.512 -11.652 -2.487 1.00 43.31 H new ATOM 0 HD23 LEU A 454 -10.160 -10.167 -1.572 1.00 43.31 H new ATOM 818 N LEU A 455 -10.336 -11.189 -7.060 1.00 52.51 N ATOM 819 CA LEU A 455 -11.063 -11.905 -8.102 1.00 73.22 C ATOM 820 C LEU A 455 -10.453 -13.307 -8.335 1.00 34.40 C ATOM 821 O LEU A 455 -11.160 -14.250 -8.712 1.00 41.52 O ATOM 822 CB LEU A 455 -11.013 -11.083 -9.403 1.00 31.45 C ATOM 823 CG LEU A 455 -11.795 -11.619 -10.603 1.00 73.20 C ATOM 824 CD1 LEU A 455 -13.283 -11.626 -10.311 1.00 1.14 C ATOM 825 CD2 LEU A 455 -11.497 -10.789 -11.841 1.00 50.10 C ATOM 0 H LEU A 455 -9.929 -10.310 -7.380 1.00 52.51 H new ATOM 0 HA LEU A 455 -12.098 -12.037 -7.788 1.00 73.22 H new ATOM 0 HB2 LEU A 455 -11.379 -10.080 -9.183 1.00 31.45 H new ATOM 0 HB3 LEU A 455 -9.969 -10.983 -9.699 1.00 31.45 H new ATOM 0 HG LEU A 455 -11.480 -12.645 -10.790 1.00 73.20 H new ATOM 0 HD11 LEU A 455 -13.822 -12.011 -11.177 1.00 1.14 H new ATOM 0 HD12 LEU A 455 -13.481 -12.262 -9.448 1.00 1.14 H new ATOM 0 HD13 LEU A 455 -13.617 -10.610 -10.098 1.00 1.14 H new ATOM 0 HD21 LEU A 455 -12.061 -11.182 -12.687 1.00 50.10 H new ATOM 0 HD22 LEU A 455 -11.786 -9.753 -11.663 1.00 50.10 H new ATOM 0 HD23 LEU A 455 -10.431 -10.836 -12.062 1.00 50.10 H new ATOM 837 N LEU A 456 -9.150 -13.433 -8.084 1.00 52.23 N ATOM 838 CA LEU A 456 -8.431 -14.690 -8.259 1.00 62.33 C ATOM 839 C LEU A 456 -8.659 -15.621 -7.061 1.00 42.54 C ATOM 840 O LEU A 456 -8.613 -16.845 -7.194 1.00 61.21 O ATOM 841 CB LEU A 456 -6.930 -14.424 -8.456 1.00 34.14 C ATOM 842 CG LEU A 456 -6.038 -15.651 -8.669 1.00 74.33 C ATOM 843 CD1 LEU A 456 -6.425 -16.397 -9.940 1.00 43.13 C ATOM 844 CD2 LEU A 456 -4.577 -15.248 -8.704 1.00 14.33 C ATOM 0 H LEU A 456 -8.565 -12.665 -7.754 1.00 52.23 H new ATOM 0 HA LEU A 456 -8.818 -15.184 -9.151 1.00 62.33 H new ATOM 0 HB2 LEU A 456 -6.811 -13.763 -9.315 1.00 34.14 H new ATOM 0 HB3 LEU A 456 -6.563 -13.883 -7.584 1.00 34.14 H new ATOM 0 HG LEU A 456 -6.187 -16.327 -7.827 1.00 74.33 H new ATOM 0 HD11 LEU A 456 -5.775 -17.263 -10.066 1.00 43.13 H new ATOM 0 HD12 LEU A 456 -7.461 -16.728 -9.866 1.00 43.13 H new ATOM 0 HD13 LEU A 456 -6.316 -15.734 -10.798 1.00 43.13 H new ATOM 0 HD21 LEU A 456 -3.959 -16.133 -8.856 1.00 14.33 H new ATOM 0 HD22 LEU A 456 -4.413 -14.546 -9.521 1.00 14.33 H new ATOM 0 HD23 LEU A 456 -4.307 -14.775 -7.760 1.00 14.33 H new ATOM 856 N LEU A 457 -8.914 -15.043 -5.901 1.00 15.31 N ATOM 857 CA LEU A 457 -9.204 -15.836 -4.710 1.00 32.33 C ATOM 858 C LEU A 457 -10.575 -16.485 -4.789 1.00 65.44 C ATOM 859 O LEU A 457 -10.782 -17.552 -4.234 1.00 35.11 O ATOM 860 CB LEU A 457 -9.045 -15.045 -3.385 1.00 21.21 C ATOM 861 CG LEU A 457 -7.608 -14.810 -2.851 1.00 45.51 C ATOM 862 CD1 LEU A 457 -6.742 -14.028 -3.815 1.00 33.05 C ATOM 863 CD2 LEU A 457 -7.651 -14.122 -1.494 1.00 10.21 C ATOM 0 H LEU A 457 -8.927 -14.034 -5.754 1.00 15.31 H new ATOM 0 HA LEU A 457 -8.449 -16.622 -4.693 1.00 32.33 H new ATOM 0 HB2 LEU A 457 -9.516 -14.071 -3.518 1.00 21.21 H new ATOM 0 HB3 LEU A 457 -9.608 -15.569 -2.613 1.00 21.21 H new ATOM 0 HG LEU A 457 -7.148 -15.792 -2.743 1.00 45.51 H new ATOM 0 HD11 LEU A 457 -5.749 -13.895 -3.386 1.00 33.05 H new ATOM 0 HD12 LEU A 457 -6.661 -14.573 -4.756 1.00 33.05 H new ATOM 0 HD13 LEU A 457 -7.191 -13.052 -3.998 1.00 33.05 H new ATOM 0 HD21 LEU A 457 -6.634 -13.965 -1.134 1.00 10.21 H new ATOM 0 HD22 LEU A 457 -8.155 -13.160 -1.589 1.00 10.21 H new ATOM 0 HD23 LEU A 457 -8.194 -14.748 -0.786 1.00 10.21 H new ATOM 875 N VAL A 458 -11.497 -15.839 -5.499 1.00 43.42 N ATOM 876 CA VAL A 458 -12.867 -16.349 -5.661 1.00 2.35 C ATOM 877 C VAL A 458 -12.915 -17.847 -6.123 1.00 63.43 C ATOM 878 O VAL A 458 -13.559 -18.665 -5.458 1.00 14.24 O ATOM 879 CB VAL A 458 -13.737 -15.435 -6.582 1.00 33.21 C ATOM 880 CG1 VAL A 458 -15.138 -16.003 -6.754 1.00 4.41 C ATOM 881 CG2 VAL A 458 -13.809 -14.026 -6.006 1.00 64.52 C ATOM 0 H VAL A 458 -11.324 -14.955 -5.977 1.00 43.42 H new ATOM 0 HA VAL A 458 -13.309 -16.319 -4.665 1.00 2.35 H new ATOM 0 HB VAL A 458 -13.265 -15.396 -7.564 1.00 33.21 H new ATOM 0 HG11 VAL A 458 -15.720 -15.346 -7.400 1.00 4.41 H new ATOM 0 HG12 VAL A 458 -15.076 -16.993 -7.205 1.00 4.41 H new ATOM 0 HG13 VAL A 458 -15.622 -16.077 -5.780 1.00 4.41 H new ATOM 0 HG21 VAL A 458 -14.418 -13.398 -6.656 1.00 64.52 H new ATOM 0 HG22 VAL A 458 -14.257 -14.061 -5.013 1.00 64.52 H new ATOM 0 HG23 VAL A 458 -12.804 -13.610 -5.936 1.00 64.52 H new ATOM 891 N PRO A 459 -12.233 -18.250 -7.252 1.00 64.11 N ATOM 892 CA PRO A 459 -12.192 -19.661 -7.676 1.00 3.02 C ATOM 893 C PRO A 459 -11.562 -20.555 -6.601 1.00 51.42 C ATOM 894 O PRO A 459 -11.978 -21.699 -6.405 1.00 75.12 O ATOM 895 CB PRO A 459 -11.310 -19.646 -8.930 1.00 10.33 C ATOM 896 CG PRO A 459 -11.381 -18.249 -9.424 1.00 23.32 C ATOM 897 CD PRO A 459 -11.503 -17.389 -8.204 1.00 24.42 C ATOM 0 HA PRO A 459 -13.190 -20.061 -7.854 1.00 3.02 H new ATOM 0 HB2 PRO A 459 -10.284 -19.932 -8.696 1.00 10.33 H new ATOM 0 HB3 PRO A 459 -11.674 -20.350 -9.679 1.00 10.33 H new ATOM 0 HG2 PRO A 459 -10.490 -17.991 -9.996 1.00 23.32 H new ATOM 0 HG3 PRO A 459 -12.236 -18.112 -10.086 1.00 23.32 H new ATOM 0 HD2 PRO A 459 -10.526 -17.100 -7.817 1.00 24.42 H new ATOM 0 HD3 PRO A 459 -12.048 -16.469 -8.414 1.00 24.42 H new ATOM 905 N ILE A 460 -10.584 -20.010 -5.886 1.00 50.15 N ATOM 906 CA ILE A 460 -9.918 -20.740 -4.824 1.00 62.25 C ATOM 907 C ILE A 460 -10.904 -21.022 -3.691 1.00 64.30 C ATOM 908 O ILE A 460 -10.977 -22.136 -3.187 1.00 32.12 O ATOM 909 CB ILE A 460 -8.678 -19.977 -4.279 1.00 41.32 C ATOM 910 CG1 ILE A 460 -7.658 -19.751 -5.411 1.00 62.43 C ATOM 911 CG2 ILE A 460 -8.043 -20.750 -3.122 1.00 13.33 C ATOM 912 CD1 ILE A 460 -6.415 -18.986 -4.992 1.00 52.43 C ATOM 0 H ILE A 460 -10.237 -19.061 -6.027 1.00 50.15 H new ATOM 0 HA ILE A 460 -9.561 -21.681 -5.242 1.00 62.25 H new ATOM 0 HB ILE A 460 -8.998 -19.005 -3.903 1.00 41.32 H new ATOM 0 HG12 ILE A 460 -7.356 -20.719 -5.810 1.00 62.43 H new ATOM 0 HG13 ILE A 460 -8.147 -19.210 -6.221 1.00 62.43 H new ATOM 0 HG21 ILE A 460 -7.176 -20.203 -2.751 1.00 13.33 H new ATOM 0 HG22 ILE A 460 -8.770 -20.865 -2.318 1.00 13.33 H new ATOM 0 HG23 ILE A 460 -7.729 -21.734 -3.471 1.00 13.33 H new ATOM 0 HD11 ILE A 460 -5.752 -18.872 -5.849 1.00 52.43 H new ATOM 0 HD12 ILE A 460 -6.701 -18.002 -4.621 1.00 52.43 H new ATOM 0 HD13 ILE A 460 -5.899 -19.534 -4.204 1.00 52.43 H new ATOM 924 N ILE A 461 -11.691 -20.018 -3.339 1.00 33.40 N ATOM 925 CA ILE A 461 -12.711 -20.152 -2.299 1.00 40.22 C ATOM 926 C ILE A 461 -13.740 -21.224 -2.702 1.00 53.31 C ATOM 927 O ILE A 461 -14.293 -21.925 -1.860 1.00 54.22 O ATOM 928 CB ILE A 461 -13.436 -18.786 -2.025 1.00 64.12 C ATOM 929 CG1 ILE A 461 -12.418 -17.726 -1.561 1.00 52.13 C ATOM 930 CG2 ILE A 461 -14.549 -18.949 -0.981 1.00 33.14 C ATOM 931 CD1 ILE A 461 -13.017 -16.349 -1.318 1.00 62.15 C ATOM 0 H ILE A 461 -11.645 -19.090 -3.760 1.00 33.40 H new ATOM 0 HA ILE A 461 -12.212 -20.457 -1.379 1.00 40.22 H new ATOM 0 HB ILE A 461 -13.894 -18.453 -2.956 1.00 64.12 H new ATOM 0 HG12 ILE A 461 -11.945 -18.071 -0.642 1.00 52.13 H new ATOM 0 HG13 ILE A 461 -11.632 -17.641 -2.311 1.00 52.13 H new ATOM 0 HG21 ILE A 461 -15.033 -17.987 -0.812 1.00 33.14 H new ATOM 0 HG22 ILE A 461 -15.285 -19.667 -1.343 1.00 33.14 H new ATOM 0 HG23 ILE A 461 -14.121 -19.309 -0.046 1.00 33.14 H new ATOM 0 HD11 ILE A 461 -12.234 -15.663 -0.995 1.00 62.15 H new ATOM 0 HD12 ILE A 461 -13.465 -15.979 -2.240 1.00 62.15 H new ATOM 0 HD13 ILE A 461 -13.782 -16.416 -0.545 1.00 62.15 H new ATOM 943 N CYS A 462 -13.925 -21.397 -3.990 1.00 25.55 N ATOM 944 CA CYS A 462 -14.891 -22.342 -4.489 1.00 61.12 C ATOM 945 C CYS A 462 -14.359 -23.768 -4.389 1.00 75.12 C ATOM 946 O CYS A 462 -15.120 -24.702 -4.132 1.00 44.51 O ATOM 947 CB CYS A 462 -15.252 -22.013 -5.935 1.00 70.32 C ATOM 948 SG CYS A 462 -15.899 -20.343 -6.168 1.00 42.12 S ATOM 0 H CYS A 462 -13.415 -20.891 -4.714 1.00 25.55 H new ATOM 0 HA CYS A 462 -15.789 -22.269 -3.875 1.00 61.12 H new ATOM 0 HB2 CYS A 462 -14.366 -22.139 -6.558 1.00 70.32 H new ATOM 0 HB3 CYS A 462 -15.993 -22.731 -6.286 1.00 70.32 H new ATOM 0 HG CYS A 462 -15.063 -19.480 -5.671 1.00 42.12 H new ATOM 954 N GLN A 463 -13.038 -23.930 -4.531 1.00 12.04 N ATOM 955 CA GLN A 463 -12.449 -25.273 -4.560 1.00 74.50 C ATOM 956 C GLN A 463 -12.342 -25.759 -3.140 1.00 3.31 C ATOM 957 O GLN A 463 -12.440 -26.944 -2.826 1.00 13.14 O ATOM 958 CB GLN A 463 -11.070 -25.279 -5.263 1.00 55.21 C ATOM 959 CG GLN A 463 -9.925 -24.649 -4.489 1.00 2.23 C ATOM 960 CD GLN A 463 -8.611 -24.724 -5.231 1.00 25.44 C ATOM 961 OE1 GLN A 463 -8.369 -25.643 -6.016 1.00 54.44 O ATOM 962 NE2 GLN A 463 -7.746 -23.795 -4.978 1.00 23.32 N ATOM 0 H GLN A 463 -12.369 -23.166 -4.626 1.00 12.04 H new ATOM 0 HA GLN A 463 -13.086 -25.942 -5.139 1.00 74.50 H new ATOM 0 HB2 GLN A 463 -10.804 -26.312 -5.489 1.00 55.21 H new ATOM 0 HB3 GLN A 463 -11.168 -24.759 -6.216 1.00 55.21 H new ATOM 0 HG2 GLN A 463 -10.162 -23.605 -4.282 1.00 2.23 H new ATOM 0 HG3 GLN A 463 -9.823 -25.150 -3.526 1.00 2.23 H new ATOM 0 HE21 GLN A 463 -7.977 -23.048 -4.323 1.00 23.32 H new ATOM 0 HE22 GLN A 463 -6.833 -23.810 -5.433 1.00 23.32 H new ATOM 971 N LEU A 464 -12.145 -24.795 -2.304 1.00 53.23 N ATOM 972 CA LEU A 464 -12.019 -24.898 -0.916 1.00 64.35 C ATOM 973 C LEU A 464 -13.319 -25.433 -0.333 1.00 2.03 C ATOM 974 O LEU A 464 -13.307 -26.311 0.529 1.00 34.11 O ATOM 975 CB LEU A 464 -11.733 -23.472 -0.497 1.00 43.11 C ATOM 976 CG LEU A 464 -11.318 -23.146 0.893 1.00 74.55 C ATOM 977 CD1 LEU A 464 -10.882 -21.701 0.879 1.00 41.43 C ATOM 978 CD2 LEU A 464 -12.456 -23.323 1.874 1.00 75.14 C ATOM 0 H LEU A 464 -12.063 -23.829 -2.622 1.00 53.23 H new ATOM 0 HA LEU A 464 -11.242 -25.581 -0.573 1.00 64.35 H new ATOM 0 HB2 LEU A 464 -10.952 -23.096 -1.159 1.00 43.11 H new ATOM 0 HB3 LEU A 464 -12.633 -22.893 -0.705 1.00 43.11 H new ATOM 0 HG LEU A 464 -10.518 -23.815 1.211 1.00 74.55 H new ATOM 0 HD11 LEU A 464 -10.565 -21.407 1.880 1.00 41.43 H new ATOM 0 HD12 LEU A 464 -10.051 -21.578 0.185 1.00 41.43 H new ATOM 0 HD13 LEU A 464 -11.715 -21.073 0.563 1.00 41.43 H new ATOM 0 HD21 LEU A 464 -12.113 -23.075 2.878 1.00 75.14 H new ATOM 0 HD22 LEU A 464 -13.279 -22.664 1.599 1.00 75.14 H new ATOM 0 HD23 LEU A 464 -12.797 -24.358 1.852 1.00 75.14 H new ATOM 990 N ARG A 465 -14.436 -24.932 -0.847 1.00 62.41 N ATOM 991 CA ARG A 465 -15.755 -25.346 -0.385 1.00 44.42 C ATOM 992 C ARG A 465 -16.077 -26.793 -0.738 1.00 52.41 C ATOM 993 O ARG A 465 -17.008 -27.374 -0.201 1.00 33.34 O ATOM 994 CB ARG A 465 -16.843 -24.382 -0.855 1.00 14.03 C ATOM 995 CG ARG A 465 -16.735 -23.014 -0.211 1.00 45.35 C ATOM 996 CD ARG A 465 -17.823 -22.069 -0.677 1.00 53.23 C ATOM 997 NE ARG A 465 -17.729 -20.785 0.017 1.00 43.43 N ATOM 998 CZ ARG A 465 -18.522 -19.727 -0.175 1.00 11.53 C ATOM 999 NH1 ARG A 465 -19.468 -19.745 -1.109 1.00 24.24 N ATOM 1000 NH2 ARG A 465 -18.346 -18.640 0.565 1.00 34.43 N ATOM 0 H ARG A 465 -14.454 -24.233 -1.590 1.00 62.41 H new ATOM 0 HA ARG A 465 -15.731 -25.302 0.704 1.00 44.42 H new ATOM 0 HB2 ARG A 465 -16.783 -24.274 -1.938 1.00 14.03 H new ATOM 0 HB3 ARG A 465 -17.821 -24.808 -0.631 1.00 14.03 H new ATOM 0 HG2 ARG A 465 -16.789 -23.120 0.872 1.00 45.35 H new ATOM 0 HG3 ARG A 465 -15.760 -22.583 -0.441 1.00 45.35 H new ATOM 0 HD2 ARG A 465 -17.739 -21.913 -1.753 1.00 53.23 H new ATOM 0 HD3 ARG A 465 -18.801 -22.515 -0.495 1.00 53.23 H new ATOM 0 HE ARG A 465 -16.989 -20.688 0.712 1.00 43.43 H new ATOM 0 HH11 ARG A 465 -19.595 -20.574 -1.690 1.00 24.24 H new ATOM 0 HH12 ARG A 465 -20.066 -18.930 -1.245 1.00 24.24 H new ATOM 0 HH21 ARG A 465 -17.611 -18.618 1.272 1.00 34.43 H new ATOM 0 HH22 ARG A 465 -18.946 -17.826 0.427 1.00 34.43 H new ATOM 1014 N SER A 466 -15.296 -27.371 -1.621 1.00 45.31 N ATOM 1015 CA SER A 466 -15.448 -28.759 -1.963 1.00 51.51 C ATOM 1016 C SER A 466 -14.807 -29.629 -0.874 1.00 1.34 C ATOM 1017 O SER A 466 -15.267 -30.732 -0.589 1.00 25.01 O ATOM 1018 CB SER A 466 -14.809 -29.018 -3.314 1.00 32.50 C ATOM 1019 OG SER A 466 -15.384 -28.174 -4.300 1.00 4.12 O ATOM 0 H SER A 466 -14.544 -26.893 -2.117 1.00 45.31 H new ATOM 0 HA SER A 466 -16.506 -29.014 -2.027 1.00 51.51 H new ATOM 0 HB2 SER A 466 -13.735 -28.842 -3.256 1.00 32.50 H new ATOM 0 HB3 SER A 466 -14.946 -30.062 -3.595 1.00 32.50 H new ATOM 0 HG SER A 466 -14.962 -28.349 -5.167 1.00 4.12 H new ATOM 1025 N GLN A 467 -13.767 -29.092 -0.243 1.00 53.31 N ATOM 1026 CA GLN A 467 -13.060 -29.777 0.834 1.00 41.41 C ATOM 1027 C GLN A 467 -13.844 -29.630 2.141 1.00 12.34 C ATOM 1028 O GLN A 467 -13.680 -30.409 3.088 1.00 64.24 O ATOM 1029 CB GLN A 467 -11.633 -29.222 0.968 1.00 21.30 C ATOM 1030 CG GLN A 467 -10.808 -29.859 2.077 1.00 12.51 C ATOM 1031 CD GLN A 467 -9.387 -29.352 2.111 1.00 65.01 C ATOM 1032 OE1 GLN A 467 -9.107 -28.213 1.733 1.00 45.21 O ATOM 1033 NE2 GLN A 467 -8.489 -30.174 2.574 1.00 74.31 N ATOM 0 H GLN A 467 -13.391 -28.170 -0.464 1.00 53.31 H new ATOM 0 HA GLN A 467 -12.982 -30.839 0.602 1.00 41.41 H new ATOM 0 HB2 GLN A 467 -11.113 -29.361 0.020 1.00 21.30 H new ATOM 0 HB3 GLN A 467 -11.690 -28.148 1.146 1.00 21.30 H new ATOM 0 HG2 GLN A 467 -11.283 -29.660 3.038 1.00 12.51 H new ATOM 0 HG3 GLN A 467 -10.800 -30.941 1.943 1.00 12.51 H new ATOM 0 HE21 GLN A 467 -8.761 -31.109 2.877 1.00 74.31 H new ATOM 0 HE22 GLN A 467 -7.513 -29.883 2.634 1.00 74.31 H new ATOM 1042 N GLU A 468 -14.715 -28.632 2.165 1.00 22.03 N ATOM 1043 CA GLU A 468 -15.616 -28.397 3.294 1.00 43.44 C ATOM 1044 C GLU A 468 -16.697 -29.494 3.312 1.00 15.31 C ATOM 1045 O GLU A 468 -17.439 -29.653 4.279 1.00 72.14 O ATOM 1046 CB GLU A 468 -16.283 -27.023 3.141 1.00 62.10 C ATOM 1047 CG GLU A 468 -15.310 -25.850 3.036 1.00 3.54 C ATOM 1048 CD GLU A 468 -14.523 -25.584 4.293 1.00 31.12 C ATOM 1049 OE1 GLU A 468 -14.813 -24.586 4.983 1.00 65.52 O ATOM 1050 OE2 GLU A 468 -13.605 -26.349 4.610 1.00 43.14 O ATOM 0 H GLU A 468 -14.821 -27.960 1.405 1.00 22.03 H new ATOM 0 HA GLU A 468 -15.051 -28.421 4.226 1.00 43.44 H new ATOM 0 HB2 GLU A 468 -16.912 -27.037 2.251 1.00 62.10 H new ATOM 0 HB3 GLU A 468 -16.941 -26.857 3.994 1.00 62.10 H new ATOM 0 HG2 GLU A 468 -14.614 -26.042 2.219 1.00 3.54 H new ATOM 0 HG3 GLU A 468 -15.869 -24.952 2.774 1.00 3.54 H new