USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 651 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 32 TYR OH : rot 30:sc= -0.0371 USER MOD Set 1.2: A 52 LYS NZ :NH3+ 167:sc= 0.652 (180deg=0.491) USER MOD Set 2.1: A 11 ASN : amide:sc= 0.383 K(o=1.2,f=-2.2) USER MOD Set 2.2: A 70 TYR OH : rot -46:sc= 0.834 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl -160:sc= -0.0189 (180deg=-0.31) USER MOD Single : A 3 GLN : amide:sc= -0.0078 K(o=-0.0078,f=-0.76) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl 155:sc= -0.338 (180deg=-2.14) USER MOD Single : A 24 LYS NZ :NH3+ -165:sc= 0.0136 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 1.15 K(o=1.1,f=-1) USER MOD Single : A 38 LYS NZ :NH3+ -161:sc= -0.0229 (180deg=-0.209) USER MOD Single : A 46 HIS : no HD1:sc= -0.0977 K(o=-0.098,f=-0.61) USER MOD Single : A 50 MET CE :methyl -149:sc= 0 (180deg=-0.297) USER MOD Single : A 60 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0351) USER MOD Single : A 69 LYS NZ :NH3+ -145:sc= 1.22 (180deg=-0.14) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.978 K(o=-0.98,f=-4.7!) USER MOD Single : A 82 MET CE :methyl 144:sc= -0.0431 (180deg=-1.09) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.967 5.333 4.173 1.00 3.22 N ATOM 2 CA GLY A 1 -17.623 5.940 4.198 1.00 20.33 C ATOM 3 C GLY A 1 -16.681 5.279 3.206 1.00 64.12 C ATOM 4 O GLY A 1 -15.733 4.597 3.608 1.00 54.45 O ATOM 0 H1 GLY A 1 -19.578 5.813 4.864 1.00 3.22 H new ATOM 0 H2 GLY A 1 -19.375 5.433 3.222 1.00 3.22 H new ATOM 0 H3 GLY A 1 -18.897 4.324 4.415 1.00 3.22 H new ATOM 0 HA2 GLY A 1 -17.701 7.003 3.971 1.00 20.33 H new ATOM 0 HA3 GLY A 1 -17.207 5.859 5.202 1.00 20.33 H new ATOM 8 N MET A 2 -16.923 5.458 1.903 1.00 55.24 N ATOM 9 CA MET A 2 -16.216 4.725 0.861 1.00 44.35 C ATOM 10 C MET A 2 -14.731 5.054 0.874 1.00 22.53 C ATOM 11 O MET A 2 -13.930 4.129 0.914 1.00 35.40 O ATOM 12 CB MET A 2 -16.853 4.956 -0.515 1.00 64.11 C ATOM 13 CG MET A 2 -16.136 4.158 -1.614 1.00 1.40 C ATOM 14 SD MET A 2 -17.175 3.712 -3.029 1.00 13.12 S ATOM 15 CE MET A 2 -18.207 2.455 -2.218 1.00 71.12 C ATOM 0 H MET A 2 -17.616 6.116 1.547 1.00 55.24 H new ATOM 0 HA MET A 2 -16.309 3.660 1.073 1.00 44.35 H new ATOM 0 HB2 MET A 2 -17.904 4.668 -0.483 1.00 64.11 H new ATOM 0 HB3 MET A 2 -16.821 6.018 -0.757 1.00 64.11 H new ATOM 0 HG2 MET A 2 -15.288 4.742 -1.973 1.00 1.40 H new ATOM 0 HG3 MET A 2 -15.732 3.245 -1.176 1.00 1.40 H new ATOM 0 HE1 MET A 2 -18.661 1.814 -2.974 1.00 71.12 H new ATOM 0 HE2 MET A 2 -17.590 1.851 -1.553 1.00 71.12 H new ATOM 0 HE3 MET A 2 -18.991 2.945 -1.640 1.00 71.12 H new ATOM 25 N GLN A 3 -14.355 6.337 0.929 1.00 51.11 N ATOM 26 CA GLN A 3 -12.967 6.812 0.865 1.00 42.34 C ATOM 27 C GLN A 3 -12.023 6.003 1.742 1.00 33.51 C ATOM 28 O GLN A 3 -10.959 5.633 1.281 1.00 62.12 O ATOM 29 CB GLN A 3 -12.871 8.300 1.284 1.00 54.22 C ATOM 30 CG GLN A 3 -12.702 9.273 0.107 1.00 42.33 C ATOM 31 CD GLN A 3 -11.311 9.181 -0.529 1.00 24.51 C ATOM 32 OE1 GLN A 3 -11.028 8.270 -1.312 1.00 63.52 O ATOM 33 NE2 GLN A 3 -10.431 10.118 -0.210 1.00 11.13 N ATOM 0 H GLN A 3 -15.029 7.097 1.022 1.00 51.11 H new ATOM 0 HA GLN A 3 -12.660 6.689 -0.174 1.00 42.34 H new ATOM 0 HB2 GLN A 3 -13.770 8.569 1.838 1.00 54.22 H new ATOM 0 HB3 GLN A 3 -12.029 8.421 1.965 1.00 54.22 H new ATOM 0 HG2 GLN A 3 -13.459 9.061 -0.648 1.00 42.33 H new ATOM 0 HG3 GLN A 3 -12.874 10.292 0.453 1.00 42.33 H new ATOM 0 HE21 GLN A 3 -10.690 10.861 0.440 1.00 11.13 H new ATOM 0 HE22 GLN A 3 -9.495 10.097 -0.614 1.00 11.13 H new ATOM 42 N PHE A 4 -12.463 5.710 2.957 1.00 31.10 N ATOM 43 CA PHE A 4 -11.813 5.095 4.101 1.00 24.34 C ATOM 44 C PHE A 4 -11.747 3.593 3.936 1.00 44.41 C ATOM 45 O PHE A 4 -10.703 2.988 4.151 1.00 64.14 O ATOM 46 CB PHE A 4 -12.645 5.398 5.351 1.00 31.01 C ATOM 47 CG PHE A 4 -12.115 6.449 6.299 1.00 74.12 C ATOM 48 CD1 PHE A 4 -11.270 7.487 5.866 1.00 74.25 C ATOM 49 CD2 PHE A 4 -12.472 6.357 7.654 1.00 61.22 C ATOM 50 CE1 PHE A 4 -10.753 8.404 6.793 1.00 42.51 C ATOM 51 CE2 PHE A 4 -11.993 7.304 8.574 1.00 55.23 C ATOM 52 CZ PHE A 4 -11.120 8.317 8.145 1.00 3.33 C ATOM 0 H PHE A 4 -13.430 5.934 3.194 1.00 31.10 H new ATOM 0 HA PHE A 4 -10.802 5.492 4.187 1.00 24.34 H new ATOM 0 HB2 PHE A 4 -13.639 5.706 5.028 1.00 31.01 H new ATOM 0 HB3 PHE A 4 -12.765 4.470 5.910 1.00 31.01 H new ATOM 0 HD1 PHE A 4 -11.019 7.578 4.819 1.00 74.25 H new ATOM 0 HD2 PHE A 4 -13.116 5.557 7.989 1.00 61.22 H new ATOM 0 HE1 PHE A 4 -10.073 9.177 6.467 1.00 42.51 H new ATOM 0 HE2 PHE A 4 -12.295 7.253 9.610 1.00 55.23 H new ATOM 0 HZ PHE A 4 -10.730 9.030 8.856 1.00 3.33 H new ATOM 62 N LYS A 5 -12.877 2.959 3.617 1.00 52.03 N ATOM 63 CA LYS A 5 -12.874 1.517 3.412 1.00 63.23 C ATOM 64 C LYS A 5 -12.007 1.198 2.198 1.00 23.41 C ATOM 65 O LYS A 5 -11.160 0.307 2.245 1.00 22.30 O ATOM 66 CB LYS A 5 -14.300 0.960 3.262 1.00 71.45 C ATOM 67 CG LYS A 5 -14.821 0.329 4.562 1.00 60.03 C ATOM 68 CD LYS A 5 -13.984 -0.887 5.011 1.00 20.20 C ATOM 69 CE LYS A 5 -13.197 -0.575 6.286 1.00 2.52 C ATOM 70 NZ LYS A 5 -13.967 -0.866 7.510 1.00 40.21 N ATOM 0 H LYS A 5 -13.783 3.411 3.498 1.00 52.03 H new ATOM 0 HA LYS A 5 -12.453 1.028 4.290 1.00 63.23 H new ATOM 0 HB2 LYS A 5 -14.971 1.763 2.957 1.00 71.45 H new ATOM 0 HB3 LYS A 5 -14.314 0.214 2.468 1.00 71.45 H new ATOM 0 HG2 LYS A 5 -14.817 1.080 5.352 1.00 60.03 H new ATOM 0 HG3 LYS A 5 -15.857 0.020 4.421 1.00 60.03 H new ATOM 0 HD2 LYS A 5 -14.640 -1.740 5.185 1.00 20.20 H new ATOM 0 HD3 LYS A 5 -13.295 -1.172 4.216 1.00 20.20 H new ATOM 0 HE2 LYS A 5 -12.276 -1.158 6.293 1.00 2.52 H new ATOM 0 HE3 LYS A 5 -12.909 0.476 6.283 1.00 2.52 H new ATOM 0 HZ1 LYS A 5 -13.391 -0.638 8.345 1.00 40.21 H new ATOM 0 HZ2 LYS A 5 -14.834 -0.291 7.520 1.00 40.21 H new ATOM 0 HZ3 LYS A 5 -14.221 -1.874 7.529 1.00 40.21 H new ATOM 84 N ALA A 6 -12.201 1.970 1.130 1.00 53.03 N ATOM 85 CA ALA A 6 -11.362 1.977 -0.045 1.00 55.12 C ATOM 86 C ALA A 6 -9.917 2.262 0.352 1.00 44.34 C ATOM 87 O ALA A 6 -9.041 1.524 -0.092 1.00 53.41 O ATOM 88 CB ALA A 6 -11.882 2.995 -1.071 1.00 34.50 C ATOM 0 H ALA A 6 -12.978 2.628 1.067 1.00 53.03 H new ATOM 0 HA ALA A 6 -11.394 0.995 -0.517 1.00 55.12 H new ATOM 0 HB1 ALA A 6 -11.238 2.987 -1.950 1.00 34.50 H new ATOM 0 HB2 ALA A 6 -12.898 2.730 -1.363 1.00 34.50 H new ATOM 0 HB3 ALA A 6 -11.880 3.991 -0.629 1.00 34.50 H new ATOM 94 N GLU A 7 -9.653 3.285 1.173 1.00 31.23 N ATOM 95 CA GLU A 7 -8.290 3.653 1.583 1.00 21.44 C ATOM 96 C GLU A 7 -7.626 2.442 2.236 1.00 11.42 C ATOM 97 O GLU A 7 -6.564 2.010 1.808 1.00 41.45 O ATOM 98 CB GLU A 7 -8.300 4.873 2.536 1.00 15.22 C ATOM 99 CG GLU A 7 -8.007 6.216 1.834 1.00 33.10 C ATOM 100 CD GLU A 7 -8.601 7.433 2.561 1.00 2.30 C ATOM 101 OE1 GLU A 7 -8.780 7.384 3.797 1.00 43.51 O ATOM 102 OE2 GLU A 7 -8.950 8.446 1.904 1.00 22.50 O ATOM 0 H GLU A 7 -10.377 3.882 1.573 1.00 31.23 H new ATOM 0 HA GLU A 7 -7.716 3.946 0.704 1.00 21.44 H new ATOM 0 HB2 GLU A 7 -9.273 4.933 3.023 1.00 15.22 H new ATOM 0 HB3 GLU A 7 -7.560 4.715 3.321 1.00 15.22 H new ATOM 0 HG2 GLU A 7 -6.928 6.345 1.750 1.00 33.10 H new ATOM 0 HG3 GLU A 7 -8.404 6.180 0.819 1.00 33.10 H new ATOM 109 N ALA A 8 -8.281 1.837 3.226 1.00 0.31 N ATOM 110 CA ALA A 8 -7.748 0.707 3.963 1.00 43.41 C ATOM 111 C ALA A 8 -7.345 -0.444 3.032 1.00 52.42 C ATOM 112 O ALA A 8 -6.202 -0.893 3.085 1.00 60.43 O ATOM 113 CB ALA A 8 -8.756 0.275 5.026 1.00 33.13 C ATOM 0 H ALA A 8 -9.208 2.126 3.538 1.00 0.31 H new ATOM 0 HA ALA A 8 -6.830 1.012 4.466 1.00 43.41 H new ATOM 0 HB1 ALA A 8 -8.358 -0.574 5.581 1.00 33.13 H new ATOM 0 HB2 ALA A 8 -8.940 1.103 5.711 1.00 33.13 H new ATOM 0 HB3 ALA A 8 -9.691 -0.012 4.545 1.00 33.13 H new ATOM 119 N ARG A 9 -8.239 -0.932 2.159 1.00 42.43 N ATOM 120 CA ARG A 9 -7.891 -2.056 1.276 1.00 22.41 C ATOM 121 C ARG A 9 -6.828 -1.642 0.256 1.00 15.41 C ATOM 122 O ARG A 9 -5.959 -2.446 -0.068 1.00 40.11 O ATOM 123 CB ARG A 9 -9.145 -2.645 0.600 1.00 32.51 C ATOM 124 CG ARG A 9 -8.914 -4.000 -0.113 1.00 60.24 C ATOM 125 CD ARG A 9 -8.709 -5.226 0.794 1.00 32.32 C ATOM 126 NE ARG A 9 -9.878 -5.559 1.646 1.00 42.22 N ATOM 127 CZ ARG A 9 -10.398 -6.782 1.865 1.00 35.22 C ATOM 128 NH1 ARG A 9 -9.847 -7.882 1.369 1.00 55.41 N ATOM 129 NH2 ARG A 9 -11.482 -6.913 2.614 1.00 33.31 N ATOM 0 H ARG A 9 -9.188 -0.576 2.046 1.00 42.43 H new ATOM 0 HA ARG A 9 -7.460 -2.848 1.889 1.00 22.41 H new ATOM 0 HB2 ARG A 9 -9.922 -2.773 1.354 1.00 32.51 H new ATOM 0 HB3 ARG A 9 -9.522 -1.926 -0.127 1.00 32.51 H new ATOM 0 HG2 ARG A 9 -9.768 -4.194 -0.762 1.00 60.24 H new ATOM 0 HG3 ARG A 9 -8.040 -3.902 -0.757 1.00 60.24 H new ATOM 0 HD2 ARG A 9 -8.471 -6.088 0.171 1.00 32.32 H new ATOM 0 HD3 ARG A 9 -7.846 -5.048 1.435 1.00 32.32 H new ATOM 0 HE ARG A 9 -10.336 -4.778 2.116 1.00 42.22 H new ATOM 0 HH11 ARG A 9 -9.002 -7.818 0.801 1.00 55.41 H new ATOM 0 HH12 ARG A 9 -10.268 -8.792 1.555 1.00 55.41 H new ATOM 0 HH21 ARG A 9 -11.921 -6.089 3.024 1.00 33.31 H new ATOM 0 HH22 ARG A 9 -11.878 -7.838 2.781 1.00 33.31 H new ATOM 143 N ARG A 10 -6.866 -0.405 -0.253 1.00 35.41 N ATOM 144 CA ARG A 10 -5.855 0.144 -1.159 1.00 52.21 C ATOM 145 C ARG A 10 -4.494 0.058 -0.488 1.00 64.12 C ATOM 146 O ARG A 10 -3.601 -0.628 -0.987 1.00 21.33 O ATOM 147 CB ARG A 10 -6.261 1.579 -1.553 1.00 71.54 C ATOM 148 CG ARG A 10 -5.409 2.177 -2.678 1.00 72.25 C ATOM 149 CD ARG A 10 -4.829 3.553 -2.328 1.00 22.22 C ATOM 150 NE ARG A 10 -5.891 4.541 -2.074 1.00 60.34 N ATOM 151 CZ ARG A 10 -5.706 5.762 -1.549 1.00 55.03 C ATOM 152 NH1 ARG A 10 -4.514 6.167 -1.129 1.00 33.14 N ATOM 153 NH2 ARG A 10 -6.730 6.599 -1.454 1.00 14.40 N ATOM 0 H ARG A 10 -7.616 0.254 -0.041 1.00 35.41 H new ATOM 0 HA ARG A 10 -5.788 -0.429 -2.084 1.00 52.21 H new ATOM 0 HB2 ARG A 10 -7.306 1.579 -1.863 1.00 71.54 H new ATOM 0 HB3 ARG A 10 -6.189 2.221 -0.675 1.00 71.54 H new ATOM 0 HG2 ARG A 10 -4.592 1.493 -2.909 1.00 72.25 H new ATOM 0 HG3 ARG A 10 -6.017 2.264 -3.579 1.00 72.25 H new ATOM 0 HD2 ARG A 10 -4.193 3.467 -1.447 1.00 22.22 H new ATOM 0 HD3 ARG A 10 -4.196 3.900 -3.145 1.00 22.22 H new ATOM 0 HE ARG A 10 -6.845 4.276 -2.317 1.00 60.34 H new ATOM 0 HH11 ARG A 10 -3.709 5.544 -1.201 1.00 33.14 H new ATOM 0 HH12 ARG A 10 -4.403 7.101 -0.734 1.00 33.14 H new ATOM 0 HH21 ARG A 10 -7.654 6.314 -1.779 1.00 14.40 H new ATOM 0 HH22 ARG A 10 -6.594 7.528 -1.056 1.00 14.40 H new ATOM 167 N ASN A 11 -4.372 0.677 0.677 1.00 3.00 N ATOM 168 CA ASN A 11 -3.118 0.788 1.392 1.00 0.33 C ATOM 169 C ASN A 11 -2.659 -0.606 1.822 1.00 72.13 C ATOM 170 O ASN A 11 -1.476 -0.922 1.700 1.00 72.23 O ATOM 171 CB ASN A 11 -3.263 1.774 2.565 1.00 32.23 C ATOM 172 CG ASN A 11 -3.684 3.187 2.133 1.00 44.15 C ATOM 173 OD1 ASN A 11 -3.776 3.471 0.940 1.00 42.45 O ATOM 174 ND2 ASN A 11 -3.972 4.086 3.058 1.00 74.13 N ATOM 0 H ASN A 11 -5.155 1.121 1.156 1.00 3.00 H new ATOM 0 HA ASN A 11 -2.341 1.197 0.746 1.00 0.33 H new ATOM 0 HB2 ASN A 11 -3.999 1.384 3.268 1.00 32.23 H new ATOM 0 HB3 ASN A 11 -2.314 1.834 3.098 1.00 32.23 H new ATOM 0 HD21 ASN A 11 -4.273 5.021 2.784 1.00 74.13 H new ATOM 0 HD22 ASN A 11 -3.894 3.844 4.046 1.00 74.13 H new ATOM 181 N LYS A 12 -3.575 -1.496 2.244 1.00 71.15 N ATOM 182 CA LYS A 12 -3.262 -2.893 2.572 1.00 3.20 C ATOM 183 C LYS A 12 -2.679 -3.637 1.370 1.00 2.10 C ATOM 184 O LYS A 12 -1.670 -4.325 1.524 1.00 63.43 O ATOM 185 CB LYS A 12 -4.481 -3.641 3.141 1.00 44.15 C ATOM 186 CG LYS A 12 -4.042 -5.014 3.687 1.00 33.22 C ATOM 187 CD LYS A 12 -5.109 -5.756 4.500 1.00 75.24 C ATOM 188 CE LYS A 12 -6.285 -6.223 3.636 1.00 71.02 C ATOM 189 NZ LYS A 12 -6.964 -7.398 4.222 1.00 53.35 N ATOM 0 H LYS A 12 -4.560 -1.261 2.367 1.00 71.15 H new ATOM 0 HA LYS A 12 -2.501 -2.867 3.352 1.00 3.20 H new ATOM 0 HB2 LYS A 12 -4.941 -3.054 3.935 1.00 44.15 H new ATOM 0 HB3 LYS A 12 -5.234 -3.772 2.364 1.00 44.15 H new ATOM 0 HG2 LYS A 12 -3.742 -5.643 2.849 1.00 33.22 H new ATOM 0 HG3 LYS A 12 -3.160 -4.875 4.313 1.00 33.22 H new ATOM 0 HD2 LYS A 12 -4.655 -6.619 4.987 1.00 75.24 H new ATOM 0 HD3 LYS A 12 -5.479 -5.102 5.290 1.00 75.24 H new ATOM 0 HE2 LYS A 12 -7.000 -5.408 3.524 1.00 71.02 H new ATOM 0 HE3 LYS A 12 -5.926 -6.471 2.637 1.00 71.02 H new ATOM 0 HZ1 LYS A 12 -7.754 -7.684 3.609 1.00 53.35 H new ATOM 0 HZ2 LYS A 12 -6.288 -8.184 4.305 1.00 53.35 H new ATOM 0 HZ3 LYS A 12 -7.329 -7.154 5.165 1.00 53.35 H new ATOM 203 N LEU A 13 -3.257 -3.492 0.178 1.00 75.52 N ATOM 204 CA LEU A 13 -2.755 -4.181 -1.005 1.00 51.41 C ATOM 205 C LEU A 13 -1.315 -3.784 -1.343 1.00 61.45 C ATOM 206 O LEU A 13 -0.585 -4.656 -1.822 1.00 74.32 O ATOM 207 CB LEU A 13 -3.644 -3.930 -2.229 1.00 2.31 C ATOM 208 CG LEU A 13 -4.784 -4.920 -2.476 1.00 74.23 C ATOM 209 CD1 LEU A 13 -5.450 -4.474 -3.785 1.00 3.13 C ATOM 210 CD2 LEU A 13 -4.244 -6.351 -2.615 1.00 65.25 C ATOM 0 H LEU A 13 -4.073 -2.903 0.008 1.00 75.52 H new ATOM 0 HA LEU A 13 -2.774 -5.243 -0.759 1.00 51.41 H new ATOM 0 HB2 LEU A 13 -4.076 -2.933 -2.135 1.00 2.31 H new ATOM 0 HB3 LEU A 13 -3.007 -3.920 -3.114 1.00 2.31 H new ATOM 0 HG LEU A 13 -5.489 -4.926 -1.645 1.00 74.23 H new ATOM 0 HD11 LEU A 13 -6.277 -5.144 -4.019 1.00 3.13 H new ATOM 0 HD12 LEU A 13 -5.827 -3.457 -3.673 1.00 3.13 H new ATOM 0 HD13 LEU A 13 -4.719 -4.503 -4.593 1.00 3.13 H new ATOM 0 HD21 LEU A 13 -5.073 -7.037 -2.790 1.00 65.25 H new ATOM 0 HD22 LEU A 13 -3.550 -6.398 -3.454 1.00 65.25 H new ATOM 0 HD23 LEU A 13 -3.725 -6.635 -1.699 1.00 65.25 H new ATOM 222 N MET A 14 -0.888 -2.523 -1.146 1.00 24.23 N ATOM 223 CA MET A 14 0.463 -2.130 -1.521 1.00 72.22 C ATOM 224 C MET A 14 1.522 -2.914 -0.753 1.00 34.24 C ATOM 225 O MET A 14 2.397 -3.537 -1.354 1.00 35.43 O ATOM 226 CB MET A 14 0.665 -0.623 -1.336 1.00 55.33 C ATOM 227 CG MET A 14 1.935 -0.195 -2.083 1.00 22.43 C ATOM 228 SD MET A 14 2.816 1.254 -1.474 1.00 54.13 S ATOM 229 CE MET A 14 3.974 1.380 -2.860 1.00 21.53 C ATOM 0 H MET A 14 -1.454 -1.779 -0.737 1.00 24.23 H new ATOM 0 HA MET A 14 0.585 -2.369 -2.577 1.00 72.22 H new ATOM 0 HB2 MET A 14 -0.198 -0.078 -1.717 1.00 55.33 H new ATOM 0 HB3 MET A 14 0.752 -0.382 -0.277 1.00 55.33 H new ATOM 0 HG2 MET A 14 2.628 -1.036 -2.076 1.00 22.43 H new ATOM 0 HG3 MET A 14 1.667 -0.012 -3.123 1.00 22.43 H new ATOM 0 HE1 MET A 14 4.320 2.410 -2.953 1.00 21.53 H new ATOM 0 HE2 MET A 14 4.827 0.725 -2.682 1.00 21.53 H new ATOM 0 HE3 MET A 14 3.473 1.081 -3.781 1.00 21.53 H new ATOM 239 N GLY A 15 1.456 -2.899 0.577 1.00 75.34 N ATOM 240 CA GLY A 15 2.468 -3.499 1.429 1.00 32.42 C ATOM 241 C GLY A 15 2.603 -5.002 1.225 1.00 42.41 C ATOM 242 O GLY A 15 3.691 -5.520 1.434 1.00 32.02 O ATOM 0 H GLY A 15 0.690 -2.465 1.093 1.00 75.34 H new ATOM 0 HA2 GLY A 15 3.429 -3.024 1.232 1.00 32.42 H new ATOM 0 HA3 GLY A 15 2.221 -3.300 2.472 1.00 32.42 H new ATOM 246 N LEU A 16 1.557 -5.698 0.764 1.00 20.24 N ATOM 247 CA LEU A 16 1.661 -7.104 0.393 1.00 61.45 C ATOM 248 C LEU A 16 2.643 -7.280 -0.768 1.00 23.51 C ATOM 249 O LEU A 16 3.502 -8.162 -0.712 1.00 52.43 O ATOM 250 CB LEU A 16 0.277 -7.658 0.019 1.00 13.01 C ATOM 251 CG LEU A 16 -0.648 -7.923 1.222 1.00 15.54 C ATOM 252 CD1 LEU A 16 -2.020 -8.388 0.720 1.00 1.00 C ATOM 253 CD2 LEU A 16 -0.053 -8.962 2.186 1.00 14.51 C ATOM 0 H LEU A 16 0.625 -5.302 0.640 1.00 20.24 H new ATOM 0 HA LEU A 16 2.039 -7.664 1.248 1.00 61.45 H new ATOM 0 HB2 LEU A 16 -0.214 -6.954 -0.653 1.00 13.01 H new ATOM 0 HB3 LEU A 16 0.409 -8.588 -0.535 1.00 13.01 H new ATOM 0 HG LEU A 16 -0.755 -6.991 1.777 1.00 15.54 H new ATOM 0 HD11 LEU A 16 -2.674 -8.576 1.571 1.00 1.00 H new ATOM 0 HD12 LEU A 16 -2.458 -7.615 0.089 1.00 1.00 H new ATOM 0 HD13 LEU A 16 -1.904 -9.305 0.142 1.00 1.00 H new ATOM 0 HD21 LEU A 16 -0.737 -9.119 3.020 1.00 14.51 H new ATOM 0 HD22 LEU A 16 0.098 -9.904 1.658 1.00 14.51 H new ATOM 0 HD23 LEU A 16 0.903 -8.601 2.565 1.00 14.51 H new ATOM 265 N TRP A 17 2.551 -6.442 -1.802 1.00 5.43 N ATOM 266 CA TRP A 17 3.510 -6.461 -2.897 1.00 3.21 C ATOM 267 C TRP A 17 4.903 -6.050 -2.398 1.00 72.53 C ATOM 268 O TRP A 17 5.890 -6.722 -2.689 1.00 24.42 O ATOM 269 CB TRP A 17 3.038 -5.551 -4.037 1.00 13.31 C ATOM 270 CG TRP A 17 4.095 -5.375 -5.073 1.00 64.41 C ATOM 271 CD1 TRP A 17 4.510 -6.312 -5.950 1.00 45.15 C ATOM 272 CD2 TRP A 17 5.026 -4.270 -5.219 1.00 24.21 C ATOM 273 NE1 TRP A 17 5.640 -5.879 -6.610 1.00 10.43 N ATOM 274 CE2 TRP A 17 5.996 -4.616 -6.194 1.00 63.42 C ATOM 275 CE3 TRP A 17 5.136 -2.993 -4.637 1.00 72.53 C ATOM 276 CZ2 TRP A 17 7.018 -3.738 -6.558 1.00 44.45 C ATOM 277 CZ3 TRP A 17 6.177 -2.108 -4.976 1.00 31.53 C ATOM 278 CH2 TRP A 17 7.135 -2.488 -5.930 1.00 74.43 C ATOM 0 H TRP A 17 1.817 -5.740 -1.900 1.00 5.43 H new ATOM 0 HA TRP A 17 3.579 -7.477 -3.285 1.00 3.21 H new ATOM 0 HB2 TRP A 17 2.145 -5.975 -4.496 1.00 13.31 H new ATOM 0 HB3 TRP A 17 2.757 -4.578 -3.634 1.00 13.31 H new ATOM 0 HD1 TRP A 17 4.027 -7.264 -6.112 1.00 45.15 H new ATOM 0 HE1 TRP A 17 6.144 -6.421 -7.312 1.00 10.43 H new ATOM 0 HE3 TRP A 17 4.400 -2.683 -3.909 1.00 72.53 H new ATOM 0 HZ2 TRP A 17 7.722 -4.022 -7.326 1.00 44.45 H new ATOM 0 HZ3 TRP A 17 6.239 -1.139 -4.503 1.00 31.53 H new ATOM 0 HH2 TRP A 17 7.952 -1.826 -6.178 1.00 74.43 H new ATOM 289 N VAL A 18 4.997 -4.973 -1.616 1.00 42.24 N ATOM 290 CA VAL A 18 6.285 -4.506 -1.105 1.00 13.12 C ATOM 291 C VAL A 18 6.963 -5.600 -0.263 1.00 20.11 C ATOM 292 O VAL A 18 8.171 -5.781 -0.364 1.00 11.41 O ATOM 293 CB VAL A 18 6.087 -3.223 -0.288 1.00 23.22 C ATOM 294 CG1 VAL A 18 7.406 -2.723 0.298 1.00 74.42 C ATOM 295 CG2 VAL A 18 5.475 -2.044 -1.058 1.00 72.42 C ATOM 0 H VAL A 18 4.198 -4.410 -1.324 1.00 42.24 H new ATOM 0 HA VAL A 18 6.941 -4.282 -1.947 1.00 13.12 H new ATOM 0 HB VAL A 18 5.382 -3.530 0.484 1.00 23.22 H new ATOM 0 HG11 VAL A 18 7.228 -1.813 0.870 1.00 74.42 H new ATOM 0 HG12 VAL A 18 7.826 -3.487 0.952 1.00 74.42 H new ATOM 0 HG13 VAL A 18 8.106 -2.512 -0.510 1.00 74.42 H new ATOM 0 HG21 VAL A 18 5.376 -1.187 -0.392 1.00 72.42 H new ATOM 0 HG22 VAL A 18 6.122 -1.781 -1.895 1.00 72.42 H new ATOM 0 HG23 VAL A 18 4.492 -2.326 -1.434 1.00 72.42 H new ATOM 305 N ALA A 19 6.210 -6.352 0.542 1.00 55.42 N ATOM 306 CA ALA A 19 6.711 -7.450 1.352 1.00 63.42 C ATOM 307 C ALA A 19 7.382 -8.514 0.472 1.00 44.34 C ATOM 308 O ALA A 19 8.464 -8.994 0.801 1.00 41.31 O ATOM 309 CB ALA A 19 5.546 -8.010 2.173 1.00 31.20 C ATOM 0 H ALA A 19 5.206 -6.205 0.647 1.00 55.42 H new ATOM 0 HA ALA A 19 7.482 -7.100 2.038 1.00 63.42 H new ATOM 0 HB1 ALA A 19 5.899 -8.837 2.789 1.00 31.20 H new ATOM 0 HB2 ALA A 19 5.143 -7.226 2.814 1.00 31.20 H new ATOM 0 HB3 ALA A 19 4.766 -8.367 1.501 1.00 31.20 H new ATOM 315 N GLU A 20 6.779 -8.857 -0.668 1.00 53.44 N ATOM 316 CA GLU A 20 7.373 -9.719 -1.689 1.00 11.35 C ATOM 317 C GLU A 20 8.699 -9.143 -2.213 1.00 61.30 C ATOM 318 O GLU A 20 9.680 -9.885 -2.345 1.00 44.20 O ATOM 319 CB GLU A 20 6.305 -9.967 -2.772 1.00 2.45 C ATOM 320 CG GLU A 20 6.814 -10.315 -4.176 1.00 53.34 C ATOM 321 CD GLU A 20 5.640 -10.439 -5.154 1.00 31.35 C ATOM 322 OE1 GLU A 20 4.931 -11.470 -5.125 1.00 13.32 O ATOM 323 OE2 GLU A 20 5.377 -9.495 -5.945 1.00 21.44 O ATOM 0 H GLU A 20 5.842 -8.535 -0.912 1.00 53.44 H new ATOM 0 HA GLU A 20 7.658 -10.686 -1.273 1.00 11.35 H new ATOM 0 HB2 GLU A 20 5.660 -10.778 -2.434 1.00 2.45 H new ATOM 0 HB3 GLU A 20 5.683 -9.075 -2.847 1.00 2.45 H new ATOM 0 HG2 GLU A 20 7.503 -9.545 -4.521 1.00 53.34 H new ATOM 0 HG3 GLU A 20 7.371 -11.251 -4.146 1.00 53.34 H new ATOM 330 N VAL A 21 8.765 -7.841 -2.496 1.00 51.31 N ATOM 331 CA VAL A 21 10.011 -7.183 -2.892 1.00 72.15 C ATOM 332 C VAL A 21 11.043 -7.241 -1.758 1.00 61.32 C ATOM 333 O VAL A 21 12.229 -7.394 -2.035 1.00 14.45 O ATOM 334 CB VAL A 21 9.723 -5.749 -3.384 1.00 30.50 C ATOM 335 CG1 VAL A 21 10.998 -4.963 -3.722 1.00 30.21 C ATOM 336 CG2 VAL A 21 8.860 -5.796 -4.648 1.00 11.13 C ATOM 0 H VAL A 21 7.960 -7.215 -2.457 1.00 51.31 H new ATOM 0 HA VAL A 21 10.455 -7.720 -3.731 1.00 72.15 H new ATOM 0 HB VAL A 21 9.212 -5.244 -2.565 1.00 30.50 H new ATOM 0 HG11 VAL A 21 10.729 -3.963 -4.062 1.00 30.21 H new ATOM 0 HG12 VAL A 21 11.625 -4.888 -2.834 1.00 30.21 H new ATOM 0 HG13 VAL A 21 11.545 -5.479 -4.510 1.00 30.21 H new ATOM 0 HG21 VAL A 21 8.660 -4.781 -4.990 1.00 11.13 H new ATOM 0 HG22 VAL A 21 9.387 -6.345 -5.428 1.00 11.13 H new ATOM 0 HG23 VAL A 21 7.917 -6.296 -4.426 1.00 11.13 H new ATOM 346 N LEU A 22 10.615 -7.150 -0.496 1.00 23.41 N ATOM 347 CA LEU A 22 11.477 -7.212 0.685 1.00 54.21 C ATOM 348 C LEU A 22 11.913 -8.630 1.052 1.00 34.11 C ATOM 349 O LEU A 22 12.781 -8.772 1.913 1.00 14.32 O ATOM 350 CB LEU A 22 10.764 -6.575 1.895 1.00 72.25 C ATOM 351 CG LEU A 22 10.831 -5.041 1.913 1.00 44.15 C ATOM 352 CD1 LEU A 22 9.857 -4.496 2.962 1.00 33.11 C ATOM 353 CD2 LEU A 22 12.253 -4.560 2.233 1.00 3.50 C ATOM 0 H LEU A 22 9.630 -7.028 -0.262 1.00 23.41 H new ATOM 0 HA LEU A 22 12.379 -6.656 0.429 1.00 54.21 H new ATOM 0 HB2 LEU A 22 9.719 -6.884 1.894 1.00 72.25 H new ATOM 0 HB3 LEU A 22 11.209 -6.960 2.812 1.00 72.25 H new ATOM 0 HG LEU A 22 10.554 -4.672 0.926 1.00 44.15 H new ATOM 0 HD11 LEU A 22 9.906 -3.407 2.973 1.00 33.11 H new ATOM 0 HD12 LEU A 22 8.843 -4.811 2.715 1.00 33.11 H new ATOM 0 HD13 LEU A 22 10.128 -4.881 3.945 1.00 33.11 H new ATOM 0 HD21 LEU A 22 12.276 -3.470 2.240 1.00 3.50 H new ATOM 0 HD22 LEU A 22 12.553 -4.936 3.211 1.00 3.50 H new ATOM 0 HD23 LEU A 22 12.942 -4.932 1.475 1.00 3.50 H new ATOM 365 N GLY A 23 11.322 -9.666 0.448 1.00 4.15 N ATOM 366 CA GLY A 23 11.634 -11.038 0.826 1.00 70.30 C ATOM 367 C GLY A 23 11.061 -11.405 2.197 1.00 60.34 C ATOM 368 O GLY A 23 11.587 -12.283 2.893 1.00 31.43 O ATOM 0 H GLY A 23 10.632 -9.577 -0.298 1.00 4.15 H new ATOM 0 HA2 GLY A 23 11.237 -11.720 0.074 1.00 70.30 H new ATOM 0 HA3 GLY A 23 12.716 -11.173 0.838 1.00 70.30 H new ATOM 372 N LYS A 24 9.978 -10.738 2.606 1.00 61.14 N ATOM 373 CA LYS A 24 9.099 -11.228 3.663 1.00 12.15 C ATOM 374 C LYS A 24 8.358 -12.470 3.164 1.00 42.11 C ATOM 375 O LYS A 24 8.484 -12.869 1.999 1.00 54.52 O ATOM 376 CB LYS A 24 8.120 -10.118 4.070 1.00 22.05 C ATOM 377 CG LYS A 24 8.782 -9.040 4.934 1.00 43.31 C ATOM 378 CD LYS A 24 7.765 -7.997 5.431 1.00 71.31 C ATOM 379 CE LYS A 24 8.158 -7.525 6.838 1.00 34.13 C ATOM 380 NZ LYS A 24 9.046 -6.348 6.831 1.00 42.13 N ATOM 0 H LYS A 24 9.689 -9.843 2.211 1.00 61.14 H new ATOM 0 HA LYS A 24 9.681 -11.505 4.542 1.00 12.15 H new ATOM 0 HB2 LYS A 24 7.706 -9.657 3.174 1.00 22.05 H new ATOM 0 HB3 LYS A 24 7.286 -10.556 4.618 1.00 22.05 H new ATOM 0 HG2 LYS A 24 9.269 -9.509 5.789 1.00 43.31 H new ATOM 0 HG3 LYS A 24 9.561 -8.541 4.358 1.00 43.31 H new ATOM 0 HD2 LYS A 24 7.735 -7.149 4.747 1.00 71.31 H new ATOM 0 HD3 LYS A 24 6.764 -8.429 5.447 1.00 71.31 H new ATOM 0 HE2 LYS A 24 7.255 -7.287 7.399 1.00 34.13 H new ATOM 0 HE3 LYS A 24 8.653 -8.342 7.363 1.00 34.13 H new ATOM 0 HZ1 LYS A 24 9.476 -6.232 7.771 1.00 42.13 H new ATOM 0 HZ2 LYS A 24 9.795 -6.482 6.122 1.00 42.13 H new ATOM 0 HZ3 LYS A 24 8.494 -5.498 6.596 1.00 42.13 H new ATOM 394 N SER A 25 7.591 -13.102 4.049 1.00 53.12 N ATOM 395 CA SER A 25 6.735 -14.219 3.693 1.00 21.44 C ATOM 396 C SER A 25 5.736 -14.498 4.811 1.00 53.33 C ATOM 397 O SER A 25 5.893 -13.999 5.930 1.00 74.30 O ATOM 398 CB SER A 25 7.594 -15.461 3.427 1.00 22.31 C ATOM 399 OG SER A 25 8.617 -15.639 4.396 1.00 41.13 O ATOM 0 H SER A 25 7.549 -12.849 5.036 1.00 53.12 H new ATOM 0 HA SER A 25 6.179 -13.968 2.789 1.00 21.44 H new ATOM 0 HB2 SER A 25 6.955 -16.344 3.414 1.00 22.31 H new ATOM 0 HB3 SER A 25 8.046 -15.380 2.438 1.00 22.31 H new ATOM 0 HG SER A 25 9.134 -16.444 4.182 1.00 41.13 H new ATOM 405 N GLY A 26 4.752 -15.359 4.538 1.00 42.41 N ATOM 406 CA GLY A 26 3.790 -15.808 5.529 1.00 32.25 C ATOM 407 C GLY A 26 3.030 -14.616 6.085 1.00 64.14 C ATOM 408 O GLY A 26 2.480 -13.825 5.316 1.00 51.51 O ATOM 0 H GLY A 26 4.606 -15.763 3.613 1.00 42.41 H new ATOM 0 HA2 GLY A 26 3.095 -16.517 5.079 1.00 32.25 H new ATOM 0 HA3 GLY A 26 4.303 -16.332 6.335 1.00 32.25 H new ATOM 412 N ASP A 27 2.993 -14.488 7.407 1.00 42.21 N ATOM 413 CA ASP A 27 2.268 -13.410 8.067 1.00 51.44 C ATOM 414 C ASP A 27 3.127 -12.178 8.274 1.00 63.34 C ATOM 415 O ASP A 27 2.567 -11.116 8.511 1.00 22.02 O ATOM 416 CB ASP A 27 1.695 -13.852 9.411 1.00 0.51 C ATOM 417 CG ASP A 27 0.206 -14.178 9.264 1.00 24.41 C ATOM 418 OD1 ASP A 27 -0.583 -13.230 9.027 1.00 41.22 O ATOM 419 OD2 ASP A 27 -0.170 -15.367 9.309 1.00 14.13 O ATOM 0 H ASP A 27 3.463 -15.126 8.049 1.00 42.21 H new ATOM 0 HA ASP A 27 1.449 -13.152 7.396 1.00 51.44 H new ATOM 0 HB2 ASP A 27 2.233 -14.727 9.775 1.00 0.51 H new ATOM 0 HB3 ASP A 27 1.832 -13.063 10.151 1.00 0.51 H new ATOM 424 N GLU A 28 4.451 -12.258 8.129 1.00 75.24 N ATOM 425 CA GLU A 28 5.295 -11.071 8.137 1.00 61.02 C ATOM 426 C GLU A 28 4.829 -10.088 7.054 1.00 0.34 C ATOM 427 O GLU A 28 4.773 -8.875 7.251 1.00 72.44 O ATOM 428 CB GLU A 28 6.760 -11.482 7.901 1.00 24.14 C ATOM 429 CG GLU A 28 7.633 -11.311 9.137 1.00 0.22 C ATOM 430 CD GLU A 28 8.040 -9.856 9.370 1.00 41.51 C ATOM 431 OE1 GLU A 28 7.137 -8.998 9.404 1.00 24.04 O ATOM 432 OE2 GLU A 28 9.250 -9.552 9.504 1.00 20.32 O ATOM 0 H GLU A 28 4.958 -13.134 8.005 1.00 75.24 H new ATOM 0 HA GLU A 28 5.218 -10.576 9.105 1.00 61.02 H new ATOM 0 HB2 GLU A 28 6.792 -12.524 7.582 1.00 24.14 H new ATOM 0 HB3 GLU A 28 7.172 -10.886 7.087 1.00 24.14 H new ATOM 0 HG2 GLU A 28 7.096 -11.679 10.011 1.00 0.22 H new ATOM 0 HG3 GLU A 28 8.529 -11.923 9.033 1.00 0.22 H new ATOM 439 N ALA A 29 4.416 -10.624 5.904 1.00 0.52 N ATOM 440 CA ALA A 29 3.853 -9.845 4.816 1.00 63.02 C ATOM 441 C ALA A 29 2.548 -9.137 5.220 1.00 14.43 C ATOM 442 O ALA A 29 2.286 -8.019 4.776 1.00 42.33 O ATOM 443 CB ALA A 29 3.652 -10.790 3.628 1.00 24.43 C ATOM 0 H ALA A 29 4.467 -11.623 5.706 1.00 0.52 H new ATOM 0 HA ALA A 29 4.538 -9.042 4.543 1.00 63.02 H new ATOM 0 HB1 ALA A 29 3.229 -10.236 2.790 1.00 24.43 H new ATOM 0 HB2 ALA A 29 4.612 -11.215 3.335 1.00 24.43 H new ATOM 0 HB3 ALA A 29 2.972 -11.593 3.913 1.00 24.43 H new ATOM 449 N ASN A 30 1.747 -9.755 6.094 1.00 24.31 N ATOM 450 CA ASN A 30 0.476 -9.219 6.586 1.00 20.11 C ATOM 451 C ASN A 30 0.745 -8.176 7.660 1.00 33.23 C ATOM 452 O ASN A 30 0.077 -7.136 7.715 1.00 64.32 O ATOM 453 CB ASN A 30 -0.400 -10.312 7.227 1.00 13.41 C ATOM 454 CG ASN A 30 -1.290 -11.073 6.265 1.00 3.51 C ATOM 455 OD1 ASN A 30 -1.802 -10.501 5.308 1.00 11.21 O ATOM 456 ND2 ASN A 30 -1.622 -12.306 6.604 1.00 40.21 N ATOM 0 H ASN A 30 1.972 -10.668 6.489 1.00 24.31 H new ATOM 0 HA ASN A 30 -0.044 -8.793 5.728 1.00 20.11 H new ATOM 0 HB2 ASN A 30 0.250 -11.024 7.736 1.00 13.41 H new ATOM 0 HB3 ASN A 30 -1.027 -9.851 7.990 1.00 13.41 H new ATOM 0 HD21 ASN A 30 -2.324 -12.812 6.064 1.00 40.21 H new ATOM 0 HD22 ASN A 30 -1.176 -12.752 7.406 1.00 40.21 H new ATOM 463 N ALA A 31 1.695 -8.477 8.546 1.00 33.31 N ATOM 464 CA ALA A 31 2.147 -7.613 9.614 1.00 40.13 C ATOM 465 C ALA A 31 2.640 -6.305 9.008 1.00 72.35 C ATOM 466 O ALA A 31 2.157 -5.242 9.402 1.00 72.44 O ATOM 467 CB ALA A 31 3.240 -8.317 10.422 1.00 21.12 C ATOM 0 H ALA A 31 2.186 -9.371 8.530 1.00 33.31 H new ATOM 0 HA ALA A 31 1.330 -7.389 10.300 1.00 40.13 H new ATOM 0 HB1 ALA A 31 3.577 -7.662 11.225 1.00 21.12 H new ATOM 0 HB2 ALA A 31 2.842 -9.238 10.848 1.00 21.12 H new ATOM 0 HB3 ALA A 31 4.080 -8.553 9.769 1.00 21.12 H new ATOM 473 N TYR A 32 3.518 -6.393 8.006 1.00 21.24 N ATOM 474 CA TYR A 32 4.032 -5.228 7.301 1.00 51.11 C ATOM 475 C TYR A 32 2.921 -4.506 6.543 1.00 43.52 C ATOM 476 O TYR A 32 2.897 -3.276 6.504 1.00 14.41 O ATOM 477 CB TYR A 32 5.152 -5.645 6.354 1.00 53.14 C ATOM 478 CG TYR A 32 5.707 -4.500 5.531 1.00 52.53 C ATOM 479 CD1 TYR A 32 6.653 -3.611 6.082 1.00 62.22 C ATOM 480 CD2 TYR A 32 5.209 -4.274 4.234 1.00 11.13 C ATOM 481 CE1 TYR A 32 7.146 -2.538 5.319 1.00 21.04 C ATOM 482 CE2 TYR A 32 5.656 -3.165 3.496 1.00 4.13 C ATOM 483 CZ TYR A 32 6.645 -2.311 4.024 1.00 40.34 C ATOM 484 OH TYR A 32 7.036 -1.227 3.302 1.00 40.11 O ATOM 0 H TYR A 32 3.890 -7.279 7.664 1.00 21.24 H new ATOM 0 HA TYR A 32 4.434 -4.531 8.036 1.00 51.11 H new ATOM 0 HB2 TYR A 32 5.960 -6.090 6.934 1.00 53.14 H new ATOM 0 HB3 TYR A 32 4.779 -6.418 5.682 1.00 53.14 H new ATOM 0 HD1 TYR A 32 7.000 -3.755 7.094 1.00 62.22 H new ATOM 0 HD2 TYR A 32 4.485 -4.952 3.807 1.00 11.13 H new ATOM 0 HE1 TYR A 32 7.908 -1.889 5.726 1.00 21.04 H new ATOM 0 HE2 TYR A 32 5.240 -2.966 2.520 1.00 4.13 H new ATOM 0 HH TYR A 32 7.949 -0.978 3.555 1.00 40.11 H new ATOM 494 N ALA A 33 1.959 -5.234 5.968 1.00 14.33 N ATOM 495 CA ALA A 33 0.837 -4.602 5.287 1.00 33.10 C ATOM 496 C ALA A 33 -0.040 -3.751 6.228 1.00 0.53 C ATOM 497 O ALA A 33 -0.846 -2.944 5.760 1.00 20.43 O ATOM 498 CB ALA A 33 0.006 -5.659 4.550 1.00 61.22 C ATOM 0 H ALA A 33 1.939 -6.254 5.963 1.00 14.33 H new ATOM 0 HA ALA A 33 1.252 -3.905 4.559 1.00 33.10 H new ATOM 0 HB1 ALA A 33 -0.830 -5.177 4.044 1.00 61.22 H new ATOM 0 HB2 ALA A 33 0.631 -6.166 3.815 1.00 61.22 H new ATOM 0 HB3 ALA A 33 -0.374 -6.387 5.266 1.00 61.22 H new ATOM 504 N ALA A 34 0.105 -3.881 7.555 1.00 41.35 N ATOM 505 CA ALA A 34 -0.521 -2.942 8.476 1.00 15.10 C ATOM 506 C ALA A 34 0.244 -1.615 8.520 1.00 34.00 C ATOM 507 O ALA A 34 -0.388 -0.578 8.723 1.00 15.11 O ATOM 508 CB ALA A 34 -0.619 -3.541 9.879 1.00 53.23 C ATOM 0 H ALA A 34 0.645 -4.621 8.003 1.00 41.35 H new ATOM 0 HA ALA A 34 -1.528 -2.743 8.110 1.00 15.10 H new ATOM 0 HB1 ALA A 34 -1.090 -2.822 10.550 1.00 53.23 H new ATOM 0 HB2 ALA A 34 -1.218 -4.451 9.845 1.00 53.23 H new ATOM 0 HB3 ALA A 34 0.380 -3.777 10.244 1.00 53.23 H new ATOM 514 N GLU A 35 1.566 -1.610 8.314 1.00 23.02 N ATOM 515 CA GLU A 35 2.359 -0.385 8.369 1.00 53.12 C ATOM 516 C GLU A 35 1.942 0.583 7.267 1.00 4.20 C ATOM 517 O GLU A 35 1.973 1.787 7.480 1.00 1.50 O ATOM 518 CB GLU A 35 3.862 -0.608 8.172 1.00 12.50 C ATOM 519 CG GLU A 35 4.639 -1.538 9.106 1.00 4.20 C ATOM 520 CD GLU A 35 6.155 -1.378 8.870 1.00 1.51 C ATOM 521 OE1 GLU A 35 6.579 -0.762 7.869 1.00 52.51 O ATOM 522 OE2 GLU A 35 6.943 -1.876 9.708 1.00 23.24 O ATOM 0 H GLU A 35 2.108 -2.449 8.107 1.00 23.02 H new ATOM 0 HA GLU A 35 2.174 0.008 9.369 1.00 53.12 H new ATOM 0 HB2 GLU A 35 4.001 -0.981 7.158 1.00 12.50 H new ATOM 0 HB3 GLU A 35 4.341 0.370 8.220 1.00 12.50 H new ATOM 0 HG2 GLU A 35 4.398 -1.308 10.144 1.00 4.20 H new ATOM 0 HG3 GLU A 35 4.343 -2.572 8.931 1.00 4.20 H new ATOM 529 N VAL A 36 1.599 0.077 6.080 1.00 32.03 N ATOM 530 CA VAL A 36 1.299 0.924 4.925 1.00 21.41 C ATOM 531 C VAL A 36 -0.132 1.470 5.007 1.00 1.51 C ATOM 532 O VAL A 36 -0.438 2.500 4.408 1.00 12.44 O ATOM 533 CB VAL A 36 1.530 0.130 3.623 1.00 40.51 C ATOM 534 CG1 VAL A 36 1.498 1.046 2.390 1.00 14.40 C ATOM 535 CG2 VAL A 36 2.840 -0.676 3.666 1.00 40.22 C ATOM 0 H VAL A 36 1.522 -0.923 5.894 1.00 32.03 H new ATOM 0 HA VAL A 36 1.971 1.782 4.927 1.00 21.41 H new ATOM 0 HB VAL A 36 0.707 -0.580 3.539 1.00 40.51 H new ATOM 0 HG11 VAL A 36 1.664 0.452 1.491 1.00 14.40 H new ATOM 0 HG12 VAL A 36 0.527 1.537 2.326 1.00 14.40 H new ATOM 0 HG13 VAL A 36 2.280 1.800 2.477 1.00 14.40 H new ATOM 0 HG21 VAL A 36 2.963 -1.220 2.730 1.00 40.22 H new ATOM 0 HG22 VAL A 36 3.681 0.004 3.804 1.00 40.22 H new ATOM 0 HG23 VAL A 36 2.805 -1.383 4.495 1.00 40.22 H new ATOM 545 N VAL A 37 -1.017 0.793 5.746 1.00 71.15 N ATOM 546 CA VAL A 37 -2.289 1.364 6.174 1.00 4.32 C ATOM 547 C VAL A 37 -2.019 2.449 7.203 1.00 72.41 C ATOM 548 O VAL A 37 -2.756 3.424 7.252 1.00 35.10 O ATOM 549 CB VAL A 37 -3.187 0.266 6.771 1.00 73.03 C ATOM 550 CG1 VAL A 37 -4.461 0.836 7.418 1.00 32.03 C ATOM 551 CG2 VAL A 37 -3.563 -0.786 5.718 1.00 32.14 C ATOM 0 H VAL A 37 -0.868 -0.165 6.062 1.00 71.15 H new ATOM 0 HA VAL A 37 -2.806 1.798 5.318 1.00 4.32 H new ATOM 0 HB VAL A 37 -2.600 -0.212 7.555 1.00 73.03 H new ATOM 0 HG11 VAL A 37 -5.059 0.020 7.824 1.00 32.03 H new ATOM 0 HG12 VAL A 37 -4.187 1.519 8.222 1.00 32.03 H new ATOM 0 HG13 VAL A 37 -5.041 1.373 6.668 1.00 32.03 H new ATOM 0 HG21 VAL A 37 -4.197 -1.546 6.174 1.00 32.14 H new ATOM 0 HG22 VAL A 37 -4.101 -0.306 4.901 1.00 32.14 H new ATOM 0 HG23 VAL A 37 -2.657 -1.253 5.331 1.00 32.14 H new ATOM 561 N LYS A 38 -1.020 2.259 8.065 1.00 40.44 N ATOM 562 CA LYS A 38 -0.508 3.330 8.873 1.00 71.32 C ATOM 563 C LYS A 38 0.194 4.341 7.979 1.00 44.32 C ATOM 564 O LYS A 38 0.354 4.135 6.773 1.00 33.24 O ATOM 565 CB LYS A 38 0.431 2.758 9.946 1.00 0.42 C ATOM 566 CG LYS A 38 -0.011 3.278 11.307 1.00 71.42 C ATOM 567 CD LYS A 38 0.937 2.802 12.415 1.00 51.51 C ATOM 568 CE LYS A 38 0.452 1.526 13.111 1.00 55.13 C ATOM 569 NZ LYS A 38 -0.771 1.773 13.905 1.00 61.41 N ATOM 0 H LYS A 38 -0.557 1.362 8.211 1.00 40.44 H new ATOM 0 HA LYS A 38 -1.321 3.845 9.386 1.00 71.32 H new ATOM 0 HB2 LYS A 38 0.404 1.668 9.930 1.00 0.42 H new ATOM 0 HB3 LYS A 38 1.460 3.054 9.744 1.00 0.42 H new ATOM 0 HG2 LYS A 38 -0.039 4.368 11.292 1.00 71.42 H new ATOM 0 HG3 LYS A 38 -1.024 2.936 11.519 1.00 71.42 H new ATOM 0 HD2 LYS A 38 1.924 2.624 11.989 1.00 51.51 H new ATOM 0 HD3 LYS A 38 1.048 3.594 13.156 1.00 51.51 H new ATOM 0 HE2 LYS A 38 0.253 0.756 12.365 1.00 55.13 H new ATOM 0 HE3 LYS A 38 1.239 1.144 13.762 1.00 55.13 H new ATOM 0 HZ1 LYS A 38 -0.892 1.011 14.602 1.00 61.41 H new ATOM 0 HZ2 LYS A 38 -0.686 2.684 14.399 1.00 61.41 H new ATOM 0 HZ3 LYS A 38 -1.596 1.798 13.273 1.00 61.41 H new ATOM 583 N ALA A 39 0.650 5.416 8.615 1.00 74.15 N ATOM 584 CA ALA A 39 1.392 6.486 7.991 1.00 31.11 C ATOM 585 C ALA A 39 0.770 6.950 6.667 1.00 2.11 C ATOM 586 O ALA A 39 1.489 7.149 5.687 1.00 34.22 O ATOM 587 CB ALA A 39 2.854 6.057 7.845 1.00 40.23 C ATOM 0 H ALA A 39 0.503 5.563 9.614 1.00 74.15 H new ATOM 0 HA ALA A 39 1.348 7.365 8.634 1.00 31.11 H new ATOM 0 HB1 ALA A 39 3.423 6.859 7.374 1.00 40.23 H new ATOM 0 HB2 ALA A 39 3.271 5.845 8.830 1.00 40.23 H new ATOM 0 HB3 ALA A 39 2.910 5.161 7.227 1.00 40.23 H new ATOM 593 N ASP A 40 -0.560 7.042 6.630 1.00 4.33 N ATOM 594 CA ASP A 40 -1.366 7.705 5.609 1.00 34.44 C ATOM 595 C ASP A 40 -2.056 8.952 6.193 1.00 40.24 C ATOM 596 O ASP A 40 -2.747 9.687 5.481 1.00 52.53 O ATOM 597 CB ASP A 40 -2.399 6.709 5.046 1.00 53.13 C ATOM 598 CG ASP A 40 -3.506 6.320 6.038 1.00 35.32 C ATOM 599 OD1 ASP A 40 -3.342 6.518 7.264 1.00 44.24 O ATOM 600 OD2 ASP A 40 -4.564 5.806 5.597 1.00 72.45 O ATOM 0 H ASP A 40 -1.139 6.628 7.361 1.00 4.33 H new ATOM 0 HA ASP A 40 -0.720 8.036 4.796 1.00 34.44 H new ATOM 0 HB2 ASP A 40 -2.859 7.143 4.158 1.00 53.13 H new ATOM 0 HB3 ASP A 40 -1.879 5.806 4.727 1.00 53.13 H new ATOM 605 N PHE A 41 -1.872 9.198 7.492 1.00 72.33 N ATOM 606 CA PHE A 41 -2.543 10.214 8.280 1.00 52.11 C ATOM 607 C PHE A 41 -1.899 11.585 8.073 1.00 42.12 C ATOM 608 O PHE A 41 -0.708 11.676 7.765 1.00 11.52 O ATOM 609 CB PHE A 41 -2.464 9.839 9.765 1.00 12.43 C ATOM 610 CG PHE A 41 -3.066 8.492 10.105 1.00 35.32 C ATOM 611 CD1 PHE A 41 -4.443 8.380 10.383 1.00 62.11 C ATOM 612 CD2 PHE A 41 -2.244 7.351 10.172 1.00 0.33 C ATOM 613 CE1 PHE A 41 -4.995 7.128 10.708 1.00 55.12 C ATOM 614 CE2 PHE A 41 -2.807 6.102 10.481 1.00 20.12 C ATOM 615 CZ PHE A 41 -4.180 5.986 10.746 1.00 21.12 C ATOM 0 H PHE A 41 -1.210 8.657 8.048 1.00 72.33 H new ATOM 0 HA PHE A 41 -3.583 10.268 7.958 1.00 52.11 H new ATOM 0 HB2 PHE A 41 -1.418 9.844 10.073 1.00 12.43 H new ATOM 0 HB3 PHE A 41 -2.971 10.607 10.348 1.00 12.43 H new ATOM 0 HD1 PHE A 41 -5.074 9.256 10.346 1.00 62.11 H new ATOM 0 HD2 PHE A 41 -1.183 7.436 9.986 1.00 0.33 H new ATOM 0 HE1 PHE A 41 -6.049 7.045 10.929 1.00 55.12 H new ATOM 0 HE2 PHE A 41 -2.179 5.224 10.515 1.00 20.12 H new ATOM 0 HZ PHE A 41 -4.608 5.022 10.978 1.00 21.12 H new ATOM 625 N GLU A 42 -2.654 12.634 8.402 1.00 32.40 N ATOM 626 CA GLU A 42 -2.244 14.025 8.593 1.00 51.11 C ATOM 627 C GLU A 42 -1.751 14.731 7.322 1.00 51.32 C ATOM 628 O GLU A 42 -2.254 15.819 7.027 1.00 13.24 O ATOM 629 CB GLU A 42 -1.268 14.170 9.779 1.00 1.40 C ATOM 630 CG GLU A 42 -1.868 13.581 11.070 1.00 53.12 C ATOM 631 CD GLU A 42 -1.246 14.121 12.360 1.00 61.44 C ATOM 632 OE1 GLU A 42 -1.262 15.358 12.574 1.00 64.32 O ATOM 633 OE2 GLU A 42 -0.845 13.303 13.223 1.00 55.53 O ATOM 0 H GLU A 42 -3.656 12.521 8.555 1.00 32.40 H new ATOM 0 HA GLU A 42 -3.156 14.563 8.850 1.00 51.11 H new ATOM 0 HB2 GLU A 42 -0.331 13.664 9.546 1.00 1.40 H new ATOM 0 HB3 GLU A 42 -1.032 15.223 9.932 1.00 1.40 H new ATOM 0 HG2 GLU A 42 -2.939 13.785 11.084 1.00 53.12 H new ATOM 0 HG3 GLU A 42 -1.750 12.498 11.050 1.00 53.12 H new ATOM 640 N GLU A 43 -0.812 14.164 6.562 1.00 12.30 N ATOM 641 CA GLU A 43 -0.339 14.666 5.288 1.00 13.33 C ATOM 642 C GLU A 43 -1.475 14.647 4.245 1.00 53.42 C ATOM 643 O GLU A 43 -2.558 14.099 4.483 1.00 53.32 O ATOM 644 CB GLU A 43 0.836 13.754 4.883 1.00 71.05 C ATOM 645 CG GLU A 43 1.876 14.457 4.005 1.00 43.33 C ATOM 646 CD GLU A 43 3.032 15.088 4.795 1.00 74.04 C ATOM 647 OE1 GLU A 43 2.751 15.876 5.726 1.00 1.44 O ATOM 648 OE2 GLU A 43 4.219 14.808 4.491 1.00 51.12 O ATOM 0 H GLU A 43 -0.344 13.301 6.839 1.00 12.30 H new ATOM 0 HA GLU A 43 -0.011 15.703 5.353 1.00 13.33 H new ATOM 0 HB2 GLU A 43 1.324 13.381 5.783 1.00 71.05 H new ATOM 0 HB3 GLU A 43 0.446 12.887 4.349 1.00 71.05 H new ATOM 0 HG2 GLU A 43 2.284 13.738 3.295 1.00 43.33 H new ATOM 0 HG3 GLU A 43 1.380 15.234 3.422 1.00 43.33 H new ATOM 655 N ALA A 44 -1.226 15.197 3.052 1.00 52.41 N ATOM 656 CA ALA A 44 -1.999 14.850 1.867 1.00 24.04 C ATOM 657 C ALA A 44 -1.935 13.332 1.718 1.00 44.32 C ATOM 658 O ALA A 44 -0.829 12.800 1.719 1.00 13.34 O ATOM 659 CB ALA A 44 -1.393 15.523 0.635 1.00 43.14 C ATOM 0 H ALA A 44 -0.492 15.886 2.887 1.00 52.41 H new ATOM 0 HA ALA A 44 -3.031 15.187 1.963 1.00 24.04 H new ATOM 0 HB1 ALA A 44 -1.976 15.259 -0.247 1.00 43.14 H new ATOM 0 HB2 ALA A 44 -1.406 16.605 0.768 1.00 43.14 H new ATOM 0 HB3 ALA A 44 -0.365 15.185 0.505 1.00 43.14 H new ATOM 665 N GLY A 45 -3.086 12.671 1.573 1.00 23.43 N ATOM 666 CA GLY A 45 -3.338 11.248 1.824 1.00 53.21 C ATOM 667 C GLY A 45 -2.531 10.190 1.058 1.00 31.14 C ATOM 668 O GLY A 45 -2.924 9.024 1.082 1.00 4.21 O ATOM 0 H GLY A 45 -3.928 13.150 1.254 1.00 23.43 H new ATOM 0 HA2 GLY A 45 -3.181 11.071 2.888 1.00 53.21 H new ATOM 0 HA3 GLY A 45 -4.393 11.063 1.623 1.00 53.21 H new ATOM 672 N HIS A 46 -1.456 10.541 0.359 1.00 44.04 N ATOM 673 CA HIS A 46 -0.450 9.605 -0.133 1.00 4.31 C ATOM 674 C HIS A 46 0.951 10.231 -0.224 1.00 44.31 C ATOM 675 O HIS A 46 1.829 9.666 -0.877 1.00 24.42 O ATOM 676 CB HIS A 46 -0.891 9.040 -1.489 1.00 34.44 C ATOM 677 CG HIS A 46 -1.132 10.085 -2.544 1.00 33.40 C ATOM 678 ND1 HIS A 46 -0.197 10.941 -3.074 1.00 61.32 N ATOM 679 CD2 HIS A 46 -2.336 10.378 -3.117 1.00 11.24 C ATOM 680 CE1 HIS A 46 -0.822 11.755 -3.930 1.00 60.15 C ATOM 681 NE2 HIS A 46 -2.132 11.462 -3.982 1.00 42.25 N ATOM 0 H HIS A 46 -1.255 11.510 0.112 1.00 44.04 H new ATOM 0 HA HIS A 46 -0.372 8.793 0.590 1.00 4.31 H new ATOM 0 HB2 HIS A 46 -0.129 8.348 -1.847 1.00 34.44 H new ATOM 0 HB3 HIS A 46 -1.805 8.463 -1.350 1.00 34.44 H new ATOM 0 HD2 HIS A 46 -3.272 9.869 -2.937 1.00 11.24 H new ATOM 0 HE1 HIS A 46 -0.342 12.537 -4.499 1.00 60.15 H new ATOM 0 HE2 HIS A 46 -2.840 11.936 -4.542 1.00 42.25 H new ATOM 689 N GLU A 47 1.196 11.415 0.338 1.00 60.31 N ATOM 690 CA GLU A 47 2.485 12.077 0.200 1.00 3.31 C ATOM 691 C GLU A 47 3.526 11.397 1.087 1.00 51.32 C ATOM 692 O GLU A 47 4.542 10.893 0.592 1.00 14.21 O ATOM 693 CB GLU A 47 2.360 13.590 0.479 1.00 52.14 C ATOM 694 CG GLU A 47 2.241 14.408 -0.817 1.00 41.15 C ATOM 695 CD GLU A 47 3.462 14.164 -1.707 1.00 72.32 C ATOM 696 OE1 GLU A 47 4.597 14.434 -1.251 1.00 0.00 O ATOM 697 OE2 GLU A 47 3.319 13.514 -2.771 1.00 43.41 O ATOM 0 H GLU A 47 0.515 11.933 0.893 1.00 60.31 H new ATOM 0 HA GLU A 47 2.828 11.981 -0.830 1.00 3.31 H new ATOM 0 HB2 GLU A 47 1.486 13.772 1.104 1.00 52.14 H new ATOM 0 HB3 GLU A 47 3.230 13.928 1.042 1.00 52.14 H new ATOM 0 HG2 GLU A 47 1.332 14.130 -1.350 1.00 41.15 H new ATOM 0 HG3 GLU A 47 2.160 15.469 -0.580 1.00 41.15 H new ATOM 704 N ASP A 48 3.268 11.368 2.391 1.00 33.42 N ATOM 705 CA ASP A 48 4.178 10.816 3.388 1.00 72.41 C ATOM 706 C ASP A 48 4.278 9.289 3.262 1.00 1.50 C ATOM 707 O ASP A 48 5.351 8.732 3.507 1.00 43.13 O ATOM 708 CB ASP A 48 3.749 11.263 4.791 1.00 34.11 C ATOM 709 CG ASP A 48 2.597 10.441 5.341 1.00 11.44 C ATOM 710 OD1 ASP A 48 1.562 10.351 4.651 1.00 3.53 O ATOM 711 OD2 ASP A 48 2.751 9.936 6.474 1.00 62.25 O ATOM 0 H ASP A 48 2.404 11.734 2.791 1.00 33.42 H new ATOM 0 HA ASP A 48 5.181 11.204 3.210 1.00 72.41 H new ATOM 0 HB2 ASP A 48 4.600 11.187 5.468 1.00 34.11 H new ATOM 0 HB3 ASP A 48 3.459 12.313 4.760 1.00 34.11 H new ATOM 716 N VAL A 49 3.230 8.627 2.764 1.00 60.23 N ATOM 717 CA VAL A 49 3.206 7.211 2.404 1.00 32.41 C ATOM 718 C VAL A 49 4.400 6.856 1.516 1.00 35.31 C ATOM 719 O VAL A 49 5.042 5.823 1.733 1.00 0.11 O ATOM 720 CB VAL A 49 1.873 6.892 1.693 1.00 63.41 C ATOM 721 CG1 VAL A 49 1.831 5.480 1.088 1.00 0.50 C ATOM 722 CG2 VAL A 49 0.684 7.057 2.647 1.00 1.22 C ATOM 0 H VAL A 49 2.336 9.087 2.594 1.00 60.23 H new ATOM 0 HA VAL A 49 3.282 6.607 3.308 1.00 32.41 H new ATOM 0 HB VAL A 49 1.801 7.609 0.876 1.00 63.41 H new ATOM 0 HG11 VAL A 49 0.868 5.320 0.604 1.00 0.50 H new ATOM 0 HG12 VAL A 49 2.629 5.375 0.353 1.00 0.50 H new ATOM 0 HG13 VAL A 49 1.967 4.741 1.878 1.00 0.50 H new ATOM 0 HG21 VAL A 49 -0.241 6.826 2.119 1.00 1.22 H new ATOM 0 HG22 VAL A 49 0.799 6.378 3.492 1.00 1.22 H new ATOM 0 HG23 VAL A 49 0.648 8.084 3.009 1.00 1.22 H new ATOM 732 N MET A 50 4.704 7.674 0.498 1.00 24.31 N ATOM 733 CA MET A 50 5.734 7.271 -0.452 1.00 2.20 C ATOM 734 C MET A 50 7.098 7.250 0.230 1.00 11.12 C ATOM 735 O MET A 50 7.883 6.340 0.008 1.00 15.24 O ATOM 736 CB MET A 50 5.779 8.134 -1.715 1.00 15.42 C ATOM 737 CG MET A 50 4.429 8.414 -2.376 1.00 35.23 C ATOM 738 SD MET A 50 3.128 7.128 -2.431 1.00 44.03 S ATOM 739 CE MET A 50 3.901 5.687 -3.202 1.00 32.33 C ATOM 0 H MET A 50 4.269 8.579 0.320 1.00 24.31 H new ATOM 0 HA MET A 50 5.470 6.267 -0.784 1.00 2.20 H new ATOM 0 HB2 MET A 50 6.245 9.087 -1.465 1.00 15.42 H new ATOM 0 HB3 MET A 50 6.425 7.645 -2.444 1.00 15.42 H new ATOM 0 HG2 MET A 50 4.001 9.282 -1.874 1.00 35.23 H new ATOM 0 HG3 MET A 50 4.632 8.709 -3.406 1.00 35.23 H new ATOM 0 HE1 MET A 50 3.150 5.124 -3.756 1.00 32.33 H new ATOM 0 HE2 MET A 50 4.685 6.016 -3.884 1.00 32.33 H new ATOM 0 HE3 MET A 50 4.335 5.051 -2.431 1.00 32.33 H new ATOM 749 N ARG A 51 7.389 8.208 1.103 1.00 23.00 N ATOM 750 CA ARG A 51 8.595 8.199 1.912 1.00 3.52 C ATOM 751 C ARG A 51 8.613 6.946 2.785 1.00 1.23 C ATOM 752 O ARG A 51 9.635 6.265 2.824 1.00 3.13 O ATOM 753 CB ARG A 51 8.633 9.476 2.752 1.00 23.11 C ATOM 754 CG ARG A 51 9.199 10.683 2.001 1.00 33.01 C ATOM 755 CD ARG A 51 8.285 11.163 0.859 1.00 22.11 C ATOM 756 NE ARG A 51 8.151 12.623 0.843 1.00 15.10 N ATOM 757 CZ ARG A 51 9.049 13.505 0.404 1.00 33.01 C ATOM 758 NH1 ARG A 51 10.228 13.122 -0.070 1.00 61.02 N ATOM 759 NH2 ARG A 51 8.753 14.795 0.453 1.00 43.21 N ATOM 0 H ARG A 51 6.789 9.016 1.268 1.00 23.00 H new ATOM 0 HA ARG A 51 9.483 8.176 1.281 1.00 3.52 H new ATOM 0 HB2 ARG A 51 7.623 9.709 3.090 1.00 23.11 H new ATOM 0 HB3 ARG A 51 9.235 9.298 3.643 1.00 23.11 H new ATOM 0 HG2 ARG A 51 9.353 11.502 2.704 1.00 33.01 H new ATOM 0 HG3 ARG A 51 10.176 10.425 1.593 1.00 33.01 H new ATOM 0 HD2 ARG A 51 8.689 10.825 -0.095 1.00 22.11 H new ATOM 0 HD3 ARG A 51 7.300 10.709 0.967 1.00 22.11 H new ATOM 0 HE ARG A 51 7.278 13.004 1.206 1.00 15.10 H new ATOM 0 HH11 ARG A 51 10.466 12.131 -0.105 1.00 61.02 H new ATOM 0 HH12 ARG A 51 10.896 13.819 -0.399 1.00 61.02 H new ATOM 0 HH21 ARG A 51 7.851 15.098 0.822 1.00 43.21 H new ATOM 0 HH22 ARG A 51 9.427 15.486 0.122 1.00 43.21 H new ATOM 773 N LYS A 52 7.490 6.613 3.435 1.00 34.30 N ATOM 774 CA LYS A 52 7.402 5.447 4.310 1.00 24.01 C ATOM 775 C LYS A 52 7.796 4.170 3.570 1.00 12.24 C ATOM 776 O LYS A 52 8.569 3.396 4.133 1.00 32.13 O ATOM 777 CB LYS A 52 6.015 5.362 4.982 1.00 63.33 C ATOM 778 CG LYS A 52 5.971 4.324 6.125 1.00 20.23 C ATOM 779 CD LYS A 52 5.079 3.113 5.813 1.00 64.25 C ATOM 780 CE LYS A 52 5.531 1.824 6.520 1.00 0.32 C ATOM 781 NZ LYS A 52 6.791 1.267 5.997 1.00 52.25 N ATOM 0 H LYS A 52 6.622 7.145 3.367 1.00 34.30 H new ATOM 0 HA LYS A 52 8.125 5.562 5.117 1.00 24.01 H new ATOM 0 HB2 LYS A 52 5.746 6.342 5.376 1.00 63.33 H new ATOM 0 HB3 LYS A 52 5.267 5.103 4.232 1.00 63.33 H new ATOM 0 HG2 LYS A 52 6.984 3.977 6.330 1.00 20.23 H new ATOM 0 HG3 LYS A 52 5.610 4.808 7.032 1.00 20.23 H new ATOM 0 HD2 LYS A 52 4.054 3.340 6.108 1.00 64.25 H new ATOM 0 HD3 LYS A 52 5.071 2.945 4.736 1.00 64.25 H new ATOM 0 HE2 LYS A 52 5.649 2.027 7.584 1.00 0.32 H new ATOM 0 HE3 LYS A 52 4.746 1.074 6.424 1.00 0.32 H new ATOM 0 HZ1 LYS A 52 7.147 0.540 6.650 1.00 52.25 H new ATOM 0 HZ2 LYS A 52 6.621 0.841 5.064 1.00 52.25 H new ATOM 0 HZ3 LYS A 52 7.496 2.027 5.907 1.00 52.25 H new ATOM 795 N VAL A 53 7.311 3.943 2.346 1.00 54.35 N ATOM 796 CA VAL A 53 7.633 2.739 1.579 1.00 74.33 C ATOM 797 C VAL A 53 9.015 2.825 0.943 1.00 64.21 C ATOM 798 O VAL A 53 9.690 1.801 0.882 1.00 63.41 O ATOM 799 CB VAL A 53 6.517 2.452 0.550 1.00 23.12 C ATOM 800 CG1 VAL A 53 6.552 3.349 -0.691 1.00 42.52 C ATOM 801 CG2 VAL A 53 6.564 1.000 0.074 1.00 73.02 C ATOM 0 H VAL A 53 6.686 4.587 1.861 1.00 54.35 H new ATOM 0 HA VAL A 53 7.676 1.891 2.263 1.00 74.33 H new ATOM 0 HB VAL A 53 5.595 2.664 1.091 1.00 23.12 H new ATOM 0 HG11 VAL A 53 5.734 3.078 -1.359 1.00 42.52 H new ATOM 0 HG12 VAL A 53 6.445 4.391 -0.390 1.00 42.52 H new ATOM 0 HG13 VAL A 53 7.502 3.217 -1.209 1.00 42.52 H new ATOM 0 HG21 VAL A 53 5.767 0.828 -0.649 1.00 73.02 H new ATOM 0 HG22 VAL A 53 7.528 0.802 -0.395 1.00 73.02 H new ATOM 0 HG23 VAL A 53 6.431 0.333 0.926 1.00 73.02 H new ATOM 811 N LEU A 54 9.434 3.995 0.447 1.00 63.24 N ATOM 812 CA LEU A 54 10.682 4.121 -0.296 1.00 1.24 C ATOM 813 C LEU A 54 11.869 3.991 0.650 1.00 23.21 C ATOM 814 O LEU A 54 12.829 3.300 0.309 1.00 1.20 O ATOM 815 CB LEU A 54 10.764 5.450 -1.076 1.00 13.50 C ATOM 816 CG LEU A 54 10.291 5.427 -2.549 1.00 11.34 C ATOM 817 CD1 LEU A 54 10.802 4.219 -3.342 1.00 11.31 C ATOM 818 CD2 LEU A 54 8.786 5.582 -2.754 1.00 52.12 C ATOM 0 H LEU A 54 8.920 4.870 0.551 1.00 63.24 H new ATOM 0 HA LEU A 54 10.710 3.314 -1.028 1.00 1.24 H new ATOM 0 HB2 LEU A 54 10.173 6.194 -0.542 1.00 13.50 H new ATOM 0 HB3 LEU A 54 11.799 5.791 -1.057 1.00 13.50 H new ATOM 0 HG LEU A 54 10.756 6.327 -2.951 1.00 11.34 H new ATOM 0 HD11 LEU A 54 10.430 4.271 -4.365 1.00 11.31 H new ATOM 0 HD12 LEU A 54 11.892 4.225 -3.352 1.00 11.31 H new ATOM 0 HD13 LEU A 54 10.448 3.300 -2.874 1.00 11.31 H new ATOM 0 HD21 LEU A 54 8.559 5.553 -3.820 1.00 52.12 H new ATOM 0 HD22 LEU A 54 8.264 4.769 -2.249 1.00 52.12 H new ATOM 0 HD23 LEU A 54 8.459 6.535 -2.339 1.00 52.12 H new ATOM 830 N GLY A 55 11.798 4.615 1.830 1.00 55.44 N ATOM 831 CA GLY A 55 12.782 4.436 2.885 1.00 73.41 C ATOM 832 C GLY A 55 12.853 2.959 3.247 1.00 63.43 C ATOM 833 O GLY A 55 13.927 2.363 3.205 1.00 32.04 O ATOM 0 H GLY A 55 11.048 5.262 2.075 1.00 55.44 H new ATOM 0 HA2 GLY A 55 13.758 4.790 2.554 1.00 73.41 H new ATOM 0 HA3 GLY A 55 12.508 5.026 3.760 1.00 73.41 H new ATOM 837 N ASP A 56 11.701 2.339 3.518 1.00 60.15 N ATOM 838 CA ASP A 56 11.638 0.940 3.944 1.00 43.45 C ATOM 839 C ASP A 56 11.917 -0.025 2.790 1.00 44.13 C ATOM 840 O ASP A 56 11.873 -1.236 2.989 1.00 61.14 O ATOM 841 CB ASP A 56 10.252 0.627 4.541 1.00 64.04 C ATOM 842 CG ASP A 56 10.119 0.973 6.019 1.00 31.24 C ATOM 843 OD1 ASP A 56 10.826 1.875 6.525 1.00 0.13 O ATOM 844 OD2 ASP A 56 9.248 0.364 6.670 1.00 31.23 O ATOM 0 H ASP A 56 10.790 2.792 3.448 1.00 60.15 H new ATOM 0 HA ASP A 56 12.411 0.800 4.699 1.00 43.45 H new ATOM 0 HB2 ASP A 56 9.495 1.175 3.981 1.00 64.04 H new ATOM 0 HB3 ASP A 56 10.042 -0.434 4.407 1.00 64.04 H new ATOM 849 N LEU A 57 12.081 0.441 1.545 1.00 60.23 N ATOM 850 CA LEU A 57 12.556 -0.414 0.461 1.00 1.20 C ATOM 851 C LEU A 57 14.072 -0.482 0.483 1.00 31.22 C ATOM 852 O LEU A 57 14.616 -1.390 -0.136 1.00 62.45 O ATOM 853 CB LEU A 57 12.078 0.071 -0.922 1.00 61.03 C ATOM 854 CG LEU A 57 10.763 -0.579 -1.384 1.00 12.34 C ATOM 855 CD1 LEU A 57 10.331 0.059 -2.706 1.00 61.21 C ATOM 856 CD2 LEU A 57 10.874 -2.092 -1.619 1.00 22.24 C ATOM 0 H LEU A 57 11.891 1.404 1.269 1.00 60.23 H new ATOM 0 HA LEU A 57 12.134 -1.406 0.624 1.00 1.20 H new ATOM 0 HB2 LEU A 57 11.948 1.153 -0.893 1.00 61.03 H new ATOM 0 HB3 LEU A 57 12.854 -0.137 -1.658 1.00 61.03 H new ATOM 0 HG LEU A 57 10.042 -0.416 -0.583 1.00 12.34 H new ATOM 0 HD11 LEU A 57 9.399 -0.396 -3.042 1.00 61.21 H new ATOM 0 HD12 LEU A 57 10.182 1.129 -2.562 1.00 61.21 H new ATOM 0 HD13 LEU A 57 11.104 -0.101 -3.457 1.00 61.21 H new ATOM 0 HD21 LEU A 57 9.909 -2.482 -1.943 1.00 22.24 H new ATOM 0 HD22 LEU A 57 11.621 -2.287 -2.389 1.00 22.24 H new ATOM 0 HD23 LEU A 57 11.171 -2.583 -0.693 1.00 22.24 H new ATOM 868 N ASP A 58 14.757 0.440 1.164 1.00 42.55 N ATOM 869 CA ASP A 58 16.209 0.440 1.308 1.00 73.23 C ATOM 870 C ASP A 58 16.870 0.414 -0.077 1.00 63.05 C ATOM 871 O ASP A 58 17.821 -0.320 -0.333 1.00 44.54 O ATOM 872 CB ASP A 58 16.575 -0.717 2.244 1.00 61.05 C ATOM 873 CG ASP A 58 18.069 -0.903 2.461 1.00 3.53 C ATOM 874 OD1 ASP A 58 18.726 -0.022 3.060 1.00 72.34 O ATOM 875 OD2 ASP A 58 18.563 -2.004 2.121 1.00 44.33 O ATOM 0 H ASP A 58 14.306 1.222 1.639 1.00 42.55 H new ATOM 0 HA ASP A 58 16.593 1.350 1.768 1.00 73.23 H new ATOM 0 HB2 ASP A 58 16.098 -0.551 3.210 1.00 61.05 H new ATOM 0 HB3 ASP A 58 16.162 -1.641 1.839 1.00 61.05 H new ATOM 880 N GLY A 59 16.284 1.171 -1.013 1.00 31.02 N ATOM 881 CA GLY A 59 16.769 1.304 -2.377 1.00 74.14 C ATOM 882 C GLY A 59 16.559 0.063 -3.241 1.00 2.40 C ATOM 883 O GLY A 59 17.149 -0.010 -4.319 1.00 42.35 O ATOM 0 H GLY A 59 15.442 1.717 -0.831 1.00 31.02 H new ATOM 0 HA2 GLY A 59 16.268 2.150 -2.848 1.00 74.14 H new ATOM 0 HA3 GLY A 59 17.833 1.539 -2.351 1.00 74.14 H new ATOM 887 N LYS A 60 15.755 -0.919 -2.809 1.00 12.52 N ATOM 888 CA LYS A 60 15.604 -2.177 -3.522 1.00 63.32 C ATOM 889 C LYS A 60 15.066 -2.017 -4.944 1.00 73.43 C ATOM 890 O LYS A 60 15.405 -2.838 -5.803 1.00 64.14 O ATOM 891 CB LYS A 60 14.685 -3.099 -2.739 1.00 0.13 C ATOM 892 CG LYS A 60 15.389 -4.091 -1.797 1.00 72.45 C ATOM 893 CD LYS A 60 14.385 -5.169 -1.370 1.00 15.24 C ATOM 894 CE LYS A 60 15.012 -6.423 -0.749 1.00 31.01 C ATOM 895 NZ LYS A 60 15.567 -6.197 0.600 1.00 54.41 N ATOM 0 H LYS A 60 15.197 -0.856 -1.958 1.00 12.52 H new ATOM 0 HA LYS A 60 16.604 -2.602 -3.611 1.00 63.32 H new ATOM 0 HB2 LYS A 60 14.002 -2.488 -2.150 1.00 0.13 H new ATOM 0 HB3 LYS A 60 14.078 -3.664 -3.446 1.00 0.13 H new ATOM 0 HG2 LYS A 60 16.241 -4.548 -2.300 1.00 72.45 H new ATOM 0 HG3 LYS A 60 15.777 -3.569 -0.922 1.00 72.45 H new ATOM 0 HD2 LYS A 60 13.690 -4.734 -0.652 1.00 15.24 H new ATOM 0 HD3 LYS A 60 13.800 -5.466 -2.240 1.00 15.24 H new ATOM 0 HE2 LYS A 60 14.258 -7.208 -0.696 1.00 31.01 H new ATOM 0 HE3 LYS A 60 15.805 -6.785 -1.403 1.00 31.01 H new ATOM 0 HZ1 LYS A 60 16.121 -7.028 0.891 1.00 54.41 H new ATOM 0 HZ2 LYS A 60 16.182 -5.359 0.586 1.00 54.41 H new ATOM 0 HZ3 LYS A 60 14.790 -6.045 1.274 1.00 54.41 H new ATOM 909 N ARG A 61 14.172 -1.051 -5.181 1.00 72.25 N ATOM 910 CA ARG A 61 13.481 -0.863 -6.454 1.00 11.43 C ATOM 911 C ARG A 61 13.350 0.622 -6.760 1.00 1.44 C ATOM 912 O ARG A 61 13.335 1.415 -5.817 1.00 54.14 O ATOM 913 CB ARG A 61 12.086 -1.520 -6.432 1.00 3.00 C ATOM 914 CG ARG A 61 12.119 -3.050 -6.588 1.00 10.44 C ATOM 915 CD ARG A 61 12.562 -3.468 -7.997 1.00 14.30 C ATOM 916 NE ARG A 61 12.564 -4.927 -8.162 1.00 71.22 N ATOM 917 CZ ARG A 61 12.207 -5.599 -9.260 1.00 64.42 C ATOM 918 NH1 ARG A 61 11.889 -4.977 -10.395 1.00 3.40 N ATOM 919 NH2 ARG A 61 12.143 -6.923 -9.202 1.00 14.04 N ATOM 0 H ARG A 61 13.905 -0.365 -4.475 1.00 72.25 H new ATOM 0 HA ARG A 61 14.071 -1.343 -7.235 1.00 11.43 H new ATOM 0 HB2 ARG A 61 11.592 -1.270 -5.493 1.00 3.00 H new ATOM 0 HB3 ARG A 61 11.482 -1.095 -7.233 1.00 3.00 H new ATOM 0 HG2 ARG A 61 12.800 -3.476 -5.851 1.00 10.44 H new ATOM 0 HG3 ARG A 61 11.130 -3.458 -6.382 1.00 10.44 H new ATOM 0 HD2 ARG A 61 11.896 -3.021 -8.734 1.00 14.30 H new ATOM 0 HD3 ARG A 61 13.561 -3.079 -8.193 1.00 14.30 H new ATOM 0 HE ARG A 61 12.867 -5.481 -7.361 1.00 71.22 H new ATOM 0 HH11 ARG A 61 11.914 -3.958 -10.443 1.00 3.40 H new ATOM 0 HH12 ARG A 61 11.621 -5.520 -11.216 1.00 3.40 H new ATOM 0 HH21 ARG A 61 12.364 -7.407 -8.332 1.00 14.04 H new ATOM 0 HH22 ARG A 61 11.873 -7.457 -10.028 1.00 14.04 H new ATOM 933 N PRO A 62 13.210 0.985 -8.046 1.00 43.34 N ATOM 934 CA PRO A 62 13.014 2.363 -8.458 1.00 62.33 C ATOM 935 C PRO A 62 11.667 2.872 -7.963 1.00 32.22 C ATOM 936 O PRO A 62 10.668 2.145 -7.975 1.00 62.42 O ATOM 937 CB PRO A 62 13.046 2.348 -9.990 1.00 74.42 C ATOM 938 CG PRO A 62 12.681 0.919 -10.364 1.00 4.31 C ATOM 939 CD PRO A 62 13.229 0.103 -9.206 1.00 24.33 C ATOM 0 HA PRO A 62 13.780 3.020 -8.047 1.00 62.33 H new ATOM 0 HB2 PRO A 62 12.337 3.062 -10.409 1.00 74.42 H new ATOM 0 HB3 PRO A 62 14.032 2.618 -10.369 1.00 74.42 H new ATOM 0 HG2 PRO A 62 11.603 0.794 -10.470 1.00 4.31 H new ATOM 0 HG3 PRO A 62 13.131 0.624 -11.312 1.00 4.31 H new ATOM 0 HD2 PRO A 62 12.620 -0.784 -9.031 1.00 24.33 H new ATOM 0 HD3 PRO A 62 14.241 -0.242 -9.417 1.00 24.33 H new ATOM 947 N GLU A 63 11.613 4.163 -7.639 1.00 20.34 N ATOM 948 CA GLU A 63 10.380 4.853 -7.306 1.00 52.33 C ATOM 949 C GLU A 63 9.317 4.628 -8.377 1.00 73.55 C ATOM 950 O GLU A 63 8.171 4.358 -8.025 1.00 72.14 O ATOM 951 CB GLU A 63 10.644 6.356 -7.119 1.00 32.33 C ATOM 952 CG GLU A 63 9.386 7.076 -6.597 1.00 44.02 C ATOM 953 CD GLU A 63 9.195 8.485 -7.152 1.00 20.20 C ATOM 954 OE1 GLU A 63 9.114 8.646 -8.392 1.00 72.13 O ATOM 955 OE2 GLU A 63 8.981 9.393 -6.319 1.00 2.34 O ATOM 0 H GLU A 63 12.438 4.762 -7.602 1.00 20.34 H new ATOM 0 HA GLU A 63 10.005 4.442 -6.369 1.00 52.33 H new ATOM 0 HB2 GLU A 63 11.467 6.500 -6.419 1.00 32.33 H new ATOM 0 HB3 GLU A 63 10.952 6.796 -8.068 1.00 32.33 H new ATOM 0 HG2 GLU A 63 8.509 6.478 -6.846 1.00 44.02 H new ATOM 0 HG3 GLU A 63 9.437 7.130 -5.510 1.00 44.02 H new ATOM 962 N ALA A 64 9.661 4.722 -9.663 1.00 73.22 N ATOM 963 CA ALA A 64 8.652 4.635 -10.709 1.00 73.44 C ATOM 964 C ALA A 64 7.888 3.304 -10.638 1.00 53.41 C ATOM 965 O ALA A 64 6.653 3.316 -10.658 1.00 70.53 O ATOM 966 CB ALA A 64 9.293 4.851 -12.081 1.00 13.32 C ATOM 0 H ALA A 64 10.615 4.856 -9.997 1.00 73.22 H new ATOM 0 HA ALA A 64 7.920 5.427 -10.552 1.00 73.44 H new ATOM 0 HB1 ALA A 64 8.528 4.783 -12.855 1.00 13.32 H new ATOM 0 HB2 ALA A 64 9.757 5.837 -12.115 1.00 13.32 H new ATOM 0 HB3 ALA A 64 10.051 4.087 -12.253 1.00 13.32 H new ATOM 972 N GLU A 65 8.581 2.166 -10.507 1.00 45.42 N ATOM 973 CA GLU A 65 7.940 0.851 -10.455 1.00 14.14 C ATOM 974 C GLU A 65 7.040 0.721 -9.209 1.00 63.15 C ATOM 975 O GLU A 65 6.059 -0.028 -9.220 1.00 53.33 O ATOM 976 CB GLU A 65 9.025 -0.246 -10.516 1.00 52.12 C ATOM 977 CG GLU A 65 8.472 -1.626 -10.925 1.00 34.12 C ATOM 978 CD GLU A 65 9.536 -2.680 -11.304 1.00 1.10 C ATOM 979 OE1 GLU A 65 10.754 -2.495 -11.073 1.00 73.42 O ATOM 980 OE2 GLU A 65 9.150 -3.781 -11.771 1.00 50.04 O ATOM 0 H GLU A 65 9.598 2.133 -10.435 1.00 45.42 H new ATOM 0 HA GLU A 65 7.284 0.729 -11.317 1.00 14.14 H new ATOM 0 HB2 GLU A 65 9.796 0.054 -11.226 1.00 52.12 H new ATOM 0 HB3 GLU A 65 9.504 -0.328 -9.540 1.00 52.12 H new ATOM 0 HG2 GLU A 65 7.874 -2.018 -10.102 1.00 34.12 H new ATOM 0 HG3 GLU A 65 7.799 -1.493 -11.772 1.00 34.12 H new ATOM 987 N VAL A 66 7.353 1.466 -8.147 1.00 30.24 N ATOM 988 CA VAL A 66 6.609 1.548 -6.892 1.00 72.32 C ATOM 989 C VAL A 66 5.386 2.472 -7.058 1.00 14.04 C ATOM 990 O VAL A 66 4.294 2.134 -6.592 1.00 3.34 O ATOM 991 CB VAL A 66 7.583 2.011 -5.776 1.00 24.41 C ATOM 992 CG1 VAL A 66 6.912 2.167 -4.406 1.00 55.43 C ATOM 993 CG2 VAL A 66 8.759 1.033 -5.600 1.00 75.22 C ATOM 0 H VAL A 66 8.181 2.062 -8.141 1.00 30.24 H new ATOM 0 HA VAL A 66 6.212 0.574 -6.606 1.00 72.32 H new ATOM 0 HB VAL A 66 7.936 2.985 -6.114 1.00 24.41 H new ATOM 0 HG11 VAL A 66 7.651 2.493 -3.674 1.00 55.43 H new ATOM 0 HG12 VAL A 66 6.116 2.909 -4.473 1.00 55.43 H new ATOM 0 HG13 VAL A 66 6.491 1.210 -4.096 1.00 55.43 H new ATOM 0 HG21 VAL A 66 9.417 1.394 -4.809 1.00 75.22 H new ATOM 0 HG22 VAL A 66 8.376 0.048 -5.332 1.00 75.22 H new ATOM 0 HG23 VAL A 66 9.317 0.964 -6.534 1.00 75.22 H new ATOM 1003 N ARG A 67 5.526 3.627 -7.725 1.00 62.53 N ATOM 1004 CA ARG A 67 4.442 4.590 -7.958 1.00 51.43 C ATOM 1005 C ARG A 67 3.327 3.923 -8.730 1.00 71.54 C ATOM 1006 O ARG A 67 2.165 4.058 -8.353 1.00 53.23 O ATOM 1007 CB ARG A 67 4.902 5.820 -8.766 1.00 44.32 C ATOM 1008 CG ARG A 67 6.036 6.616 -8.116 1.00 35.31 C ATOM 1009 CD ARG A 67 5.665 8.064 -7.765 1.00 53.35 C ATOM 1010 NE ARG A 67 4.808 8.139 -6.567 1.00 73.11 N ATOM 1011 CZ ARG A 67 3.919 9.107 -6.284 1.00 73.34 C ATOM 1012 NH1 ARG A 67 3.879 10.233 -6.984 1.00 64.44 N ATOM 1013 NH2 ARG A 67 3.057 8.952 -5.285 1.00 22.34 N ATOM 0 H ARG A 67 6.416 3.923 -8.126 1.00 62.53 H new ATOM 0 HA ARG A 67 4.107 4.925 -6.976 1.00 51.43 H new ATOM 0 HB2 ARG A 67 5.225 5.491 -9.753 1.00 44.32 H new ATOM 0 HB3 ARG A 67 4.049 6.482 -8.914 1.00 44.32 H new ATOM 0 HG2 ARG A 67 6.351 6.103 -7.208 1.00 35.31 H new ATOM 0 HG3 ARG A 67 6.892 6.625 -8.791 1.00 35.31 H new ATOM 0 HD2 ARG A 67 6.574 8.641 -7.597 1.00 53.35 H new ATOM 0 HD3 ARG A 67 5.149 8.521 -8.609 1.00 53.35 H new ATOM 0 HE ARG A 67 4.899 7.384 -5.888 1.00 73.11 H new ATOM 0 HH11 ARG A 67 4.531 10.378 -7.755 1.00 64.44 H new ATOM 0 HH12 ARG A 67 3.196 10.954 -6.752 1.00 64.44 H new ATOM 0 HH21 ARG A 67 3.068 8.096 -4.730 1.00 22.34 H new ATOM 0 HH22 ARG A 67 2.384 9.689 -5.073 1.00 22.34 H new ATOM 1027 N ALA A 68 3.693 3.214 -9.798 1.00 62.32 N ATOM 1028 CA ALA A 68 2.758 2.471 -10.633 1.00 64.54 C ATOM 1029 C ALA A 68 1.896 1.577 -9.751 1.00 63.11 C ATOM 1030 O ALA A 68 0.668 1.665 -9.778 1.00 45.41 O ATOM 1031 CB ALA A 68 3.516 1.638 -11.675 1.00 4.23 C ATOM 0 H ALA A 68 4.662 3.141 -10.109 1.00 62.32 H new ATOM 0 HA ALA A 68 2.115 3.171 -11.167 1.00 64.54 H new ATOM 0 HB1 ALA A 68 2.803 1.089 -12.290 1.00 4.23 H new ATOM 0 HB2 ALA A 68 4.109 2.299 -12.308 1.00 4.23 H new ATOM 0 HB3 ALA A 68 4.175 0.934 -11.168 1.00 4.23 H new ATOM 1037 N LYS A 69 2.556 0.753 -8.931 1.00 5.31 N ATOM 1038 CA LYS A 69 1.914 -0.178 -8.042 1.00 25.31 C ATOM 1039 C LYS A 69 0.885 0.474 -7.127 1.00 31.42 C ATOM 1040 O LYS A 69 -0.154 -0.136 -6.869 1.00 54.03 O ATOM 1041 CB LYS A 69 3.010 -0.857 -7.221 1.00 33.20 C ATOM 1042 CG LYS A 69 2.673 -2.337 -7.112 1.00 52.43 C ATOM 1043 CD LYS A 69 3.055 -3.094 -8.370 1.00 45.05 C ATOM 1044 CE LYS A 69 4.556 -3.218 -8.542 1.00 10.43 C ATOM 1045 NZ LYS A 69 5.091 -2.621 -9.780 1.00 30.41 N ATOM 0 H LYS A 69 3.574 0.726 -8.877 1.00 5.31 H new ATOM 0 HA LYS A 69 1.355 -0.900 -8.637 1.00 25.31 H new ATOM 0 HB2 LYS A 69 3.981 -0.722 -7.698 1.00 33.20 H new ATOM 0 HB3 LYS A 69 3.076 -0.408 -6.230 1.00 33.20 H new ATOM 0 HG2 LYS A 69 3.194 -2.767 -6.256 1.00 52.43 H new ATOM 0 HG3 LYS A 69 1.605 -2.454 -6.927 1.00 52.43 H new ATOM 0 HD2 LYS A 69 2.613 -4.090 -8.339 1.00 45.05 H new ATOM 0 HD3 LYS A 69 2.634 -2.586 -9.238 1.00 45.05 H new ATOM 0 HE2 LYS A 69 5.045 -2.748 -7.689 1.00 10.43 H new ATOM 0 HE3 LYS A 69 4.823 -4.274 -8.520 1.00 10.43 H new ATOM 0 HZ1 LYS A 69 5.887 -3.194 -10.126 1.00 30.41 H new ATOM 0 HZ2 LYS A 69 4.344 -2.594 -10.503 1.00 30.41 H new ATOM 0 HZ3 LYS A 69 5.419 -1.654 -9.585 1.00 30.41 H new ATOM 1059 N TYR A 70 1.192 1.643 -6.559 1.00 62.35 N ATOM 1060 CA TYR A 70 0.295 2.283 -5.610 1.00 15.30 C ATOM 1061 C TYR A 70 -0.876 2.933 -6.348 1.00 60.54 C ATOM 1062 O TYR A 70 -2.028 2.687 -5.991 1.00 1.13 O ATOM 1063 CB TYR A 70 1.051 3.289 -4.737 1.00 51.22 C ATOM 1064 CG TYR A 70 0.252 3.801 -3.551 1.00 31.53 C ATOM 1065 CD1 TYR A 70 0.028 2.976 -2.427 1.00 22.21 C ATOM 1066 CD2 TYR A 70 -0.258 5.113 -3.559 1.00 4.04 C ATOM 1067 CE1 TYR A 70 -0.635 3.481 -1.299 1.00 22.12 C ATOM 1068 CE2 TYR A 70 -0.989 5.596 -2.460 1.00 33.21 C ATOM 1069 CZ TYR A 70 -1.146 4.796 -1.305 1.00 33.24 C ATOM 1070 OH TYR A 70 -1.790 5.279 -0.208 1.00 2.02 O ATOM 0 H TYR A 70 2.052 2.159 -6.743 1.00 62.35 H new ATOM 0 HA TYR A 70 -0.112 1.524 -4.942 1.00 15.30 H new ATOM 0 HB2 TYR A 70 1.966 2.822 -4.371 1.00 51.22 H new ATOM 0 HB3 TYR A 70 1.350 4.137 -5.353 1.00 51.22 H new ATOM 0 HD1 TYR A 70 0.369 1.951 -2.436 1.00 22.21 H new ATOM 0 HD2 TYR A 70 -0.087 5.751 -4.413 1.00 4.04 H new ATOM 0 HE1 TYR A 70 -0.755 2.861 -0.423 1.00 22.12 H new ATOM 0 HE2 TYR A 70 -1.432 6.580 -2.498 1.00 33.21 H new ATOM 0 HH TYR A 70 -2.424 4.608 0.121 1.00 2.02 H new ATOM 1080 N GLU A 71 -0.601 3.743 -7.373 1.00 1.01 N ATOM 1081 CA GLU A 71 -1.631 4.493 -8.088 1.00 31.53 C ATOM 1082 C GLU A 71 -2.606 3.533 -8.791 1.00 23.31 C ATOM 1083 O GLU A 71 -3.826 3.722 -8.722 1.00 44.45 O ATOM 1084 CB GLU A 71 -0.973 5.467 -9.081 1.00 64.11 C ATOM 1085 CG GLU A 71 -0.156 6.585 -8.396 1.00 0.30 C ATOM 1086 CD GLU A 71 -0.642 7.997 -8.755 1.00 54.13 C ATOM 1087 OE1 GLU A 71 -1.841 8.294 -8.533 1.00 71.54 O ATOM 1088 OE2 GLU A 71 0.155 8.825 -9.249 1.00 64.44 O ATOM 0 H GLU A 71 0.343 3.896 -7.729 1.00 1.01 H new ATOM 0 HA GLU A 71 -2.211 5.079 -7.375 1.00 31.53 H new ATOM 0 HB2 GLU A 71 -0.319 4.906 -9.748 1.00 64.11 H new ATOM 0 HB3 GLU A 71 -1.747 5.920 -9.700 1.00 64.11 H new ATOM 0 HG2 GLU A 71 -0.208 6.454 -7.315 1.00 0.30 H new ATOM 0 HG3 GLU A 71 0.892 6.486 -8.679 1.00 0.30 H new ATOM 1095 N GLY A 72 -2.100 2.469 -9.426 1.00 72.44 N ATOM 1096 CA GLY A 72 -2.923 1.492 -10.139 1.00 44.33 C ATOM 1097 C GLY A 72 -3.884 0.745 -9.219 1.00 50.31 C ATOM 1098 O GLY A 72 -4.972 0.340 -9.646 1.00 42.01 O ATOM 0 H GLY A 72 -1.102 2.263 -9.458 1.00 72.44 H new ATOM 0 HA2 GLY A 72 -3.493 2.002 -10.916 1.00 44.33 H new ATOM 0 HA3 GLY A 72 -2.274 0.773 -10.640 1.00 44.33 H new ATOM 1102 N LEU A 73 -3.523 0.601 -7.943 1.00 32.12 N ATOM 1103 CA LEU A 73 -4.292 -0.165 -6.976 1.00 11.14 C ATOM 1104 C LEU A 73 -5.619 0.471 -6.619 1.00 4.42 C ATOM 1105 O LEU A 73 -6.450 -0.207 -6.023 1.00 73.11 O ATOM 1106 CB LEU A 73 -3.488 -0.347 -5.682 1.00 44.31 C ATOM 1107 CG LEU A 73 -3.238 -1.801 -5.249 1.00 63.21 C ATOM 1108 CD1 LEU A 73 -2.687 -2.704 -6.367 1.00 5.32 C ATOM 1109 CD2 LEU A 73 -2.169 -1.723 -4.148 1.00 41.03 C ATOM 0 H LEU A 73 -2.678 1.020 -7.553 1.00 32.12 H new ATOM 0 HA LEU A 73 -4.496 -1.123 -7.455 1.00 11.14 H new ATOM 0 HB2 LEU A 73 -2.524 0.147 -5.803 1.00 44.31 H new ATOM 0 HB3 LEU A 73 -4.011 0.168 -4.876 1.00 44.31 H new ATOM 0 HG LEU A 73 -4.187 -2.237 -4.938 1.00 63.21 H new ATOM 0 HD11 LEU A 73 -2.538 -3.712 -5.980 1.00 5.32 H new ATOM 0 HD12 LEU A 73 -3.397 -2.733 -7.194 1.00 5.32 H new ATOM 0 HD13 LEU A 73 -1.735 -2.307 -6.720 1.00 5.32 H new ATOM 0 HD21 LEU A 73 -1.941 -2.727 -3.791 1.00 41.03 H new ATOM 0 HD22 LEU A 73 -1.265 -1.266 -4.551 1.00 41.03 H new ATOM 0 HD23 LEU A 73 -2.542 -1.120 -3.320 1.00 41.03 H new ATOM 1121 N MET A 74 -5.842 1.747 -6.941 1.00 25.50 N ATOM 1122 CA MET A 74 -7.085 2.404 -6.568 1.00 3.44 C ATOM 1123 C MET A 74 -8.288 1.663 -7.154 1.00 34.50 C ATOM 1124 O MET A 74 -9.267 1.440 -6.439 1.00 74.25 O ATOM 1125 CB MET A 74 -7.026 3.878 -6.976 1.00 1.04 C ATOM 1126 CG MET A 74 -8.246 4.650 -6.470 1.00 34.23 C ATOM 1127 SD MET A 74 -7.979 6.442 -6.456 1.00 43.14 S ATOM 1128 CE MET A 74 -8.241 6.831 -4.707 1.00 33.12 C ATOM 0 H MET A 74 -5.184 2.335 -7.453 1.00 25.50 H new ATOM 0 HA MET A 74 -7.212 2.372 -5.486 1.00 3.44 H new ATOM 0 HB2 MET A 74 -6.118 4.330 -6.578 1.00 1.04 H new ATOM 0 HB3 MET A 74 -6.971 3.954 -8.062 1.00 1.04 H new ATOM 0 HG2 MET A 74 -9.105 4.419 -7.100 1.00 34.23 H new ATOM 0 HG3 MET A 74 -8.491 4.315 -5.462 1.00 34.23 H new ATOM 0 HE1 MET A 74 -8.109 7.901 -4.549 1.00 33.12 H new ATOM 0 HE2 MET A 74 -9.252 6.543 -4.418 1.00 33.12 H new ATOM 0 HE3 MET A 74 -7.520 6.283 -4.100 1.00 33.12 H new ATOM 1138 N ALA A 75 -8.190 1.222 -8.413 1.00 72.45 N ATOM 1139 CA ALA A 75 -9.215 0.392 -9.029 1.00 65.11 C ATOM 1140 C ALA A 75 -9.216 -1.013 -8.415 1.00 70.44 C ATOM 1141 O ALA A 75 -10.269 -1.483 -7.986 1.00 3.40 O ATOM 1142 CB ALA A 75 -9.001 0.335 -10.546 1.00 5.12 C ATOM 0 H ALA A 75 -7.401 1.432 -9.025 1.00 72.45 H new ATOM 0 HA ALA A 75 -10.192 0.836 -8.837 1.00 65.11 H new ATOM 0 HB1 ALA A 75 -9.772 -0.288 -10.999 1.00 5.12 H new ATOM 0 HB2 ALA A 75 -9.058 1.342 -10.960 1.00 5.12 H new ATOM 0 HB3 ALA A 75 -8.020 -0.089 -10.759 1.00 5.12 H new ATOM 1148 N VAL A 76 -8.049 -1.672 -8.353 1.00 72.45 N ATOM 1149 CA VAL A 76 -7.922 -3.065 -7.907 1.00 33.13 C ATOM 1150 C VAL A 76 -8.545 -3.227 -6.527 1.00 12.33 C ATOM 1151 O VAL A 76 -9.407 -4.077 -6.320 1.00 65.45 O ATOM 1152 CB VAL A 76 -6.443 -3.518 -7.881 1.00 73.32 C ATOM 1153 CG1 VAL A 76 -6.297 -5.005 -7.522 1.00 12.14 C ATOM 1154 CG2 VAL A 76 -5.738 -3.288 -9.220 1.00 14.32 C ATOM 0 H VAL A 76 -7.159 -1.247 -8.614 1.00 72.45 H new ATOM 0 HA VAL A 76 -8.452 -3.697 -8.620 1.00 33.13 H new ATOM 0 HB VAL A 76 -5.975 -2.904 -7.111 1.00 73.32 H new ATOM 0 HG11 VAL A 76 -5.241 -5.276 -7.516 1.00 12.14 H new ATOM 0 HG12 VAL A 76 -6.723 -5.184 -6.535 1.00 12.14 H new ATOM 0 HG13 VAL A 76 -6.823 -5.611 -8.260 1.00 12.14 H new ATOM 0 HG21 VAL A 76 -4.703 -3.623 -9.148 1.00 14.32 H new ATOM 0 HG22 VAL A 76 -6.248 -3.851 -10.001 1.00 14.32 H new ATOM 0 HG23 VAL A 76 -5.760 -2.226 -9.465 1.00 14.32 H new ATOM 1164 N ALA A 77 -8.120 -2.391 -5.580 1.00 51.12 N ATOM 1165 CA ALA A 77 -8.522 -2.487 -4.193 1.00 42.12 C ATOM 1166 C ALA A 77 -10.048 -2.378 -4.051 1.00 43.11 C ATOM 1167 O ALA A 77 -10.666 -3.068 -3.239 1.00 13.30 O ATOM 1168 CB ALA A 77 -7.849 -1.358 -3.436 1.00 21.53 C ATOM 0 H ALA A 77 -7.478 -1.620 -5.766 1.00 51.12 H new ATOM 0 HA ALA A 77 -8.224 -3.455 -3.790 1.00 42.12 H new ATOM 0 HB1 ALA A 77 -8.134 -1.404 -2.385 1.00 21.53 H new ATOM 0 HB2 ALA A 77 -6.767 -1.456 -3.524 1.00 21.53 H new ATOM 0 HB3 ALA A 77 -8.162 -0.402 -3.855 1.00 21.53 H new ATOM 1174 N LYS A 78 -10.655 -1.498 -4.856 1.00 32.52 N ATOM 1175 CA LYS A 78 -12.094 -1.302 -4.883 1.00 34.44 C ATOM 1176 C LYS A 78 -12.810 -2.469 -5.539 1.00 21.30 C ATOM 1177 O LYS A 78 -13.904 -2.792 -5.076 1.00 51.24 O ATOM 1178 CB LYS A 78 -12.430 -0.003 -5.628 1.00 51.02 C ATOM 1179 CG LYS A 78 -12.384 1.240 -4.725 1.00 40.15 C ATOM 1180 CD LYS A 78 -13.170 2.392 -5.361 1.00 21.24 C ATOM 1181 CE LYS A 78 -14.683 2.132 -5.279 1.00 22.32 C ATOM 1182 NZ LYS A 78 -15.410 2.843 -6.341 1.00 41.01 N ATOM 0 H LYS A 78 -10.149 -0.901 -5.510 1.00 32.52 H new ATOM 0 HA LYS A 78 -12.439 -1.236 -3.851 1.00 34.44 H new ATOM 0 HB2 LYS A 78 -11.729 0.128 -6.452 1.00 51.02 H new ATOM 0 HB3 LYS A 78 -13.424 -0.090 -6.066 1.00 51.02 H new ATOM 0 HG2 LYS A 78 -12.802 1.002 -3.747 1.00 40.15 H new ATOM 0 HG3 LYS A 78 -11.349 1.542 -4.564 1.00 40.15 H new ATOM 0 HD2 LYS A 78 -12.929 3.326 -4.854 1.00 21.24 H new ATOM 0 HD3 LYS A 78 -12.873 2.509 -6.403 1.00 21.24 H new ATOM 0 HE2 LYS A 78 -14.874 1.062 -5.359 1.00 22.32 H new ATOM 0 HE3 LYS A 78 -15.056 2.450 -4.305 1.00 22.32 H new ATOM 0 HZ1 LYS A 78 -16.428 2.646 -6.257 1.00 41.01 H new ATOM 0 HZ2 LYS A 78 -15.246 3.866 -6.249 1.00 41.01 H new ATOM 0 HZ3 LYS A 78 -15.071 2.521 -7.270 1.00 41.01 H new ATOM 1196 N ALA A 79 -12.264 -3.076 -6.594 1.00 11.20 N ATOM 1197 CA ALA A 79 -12.834 -4.294 -7.156 1.00 2.04 C ATOM 1198 C ALA A 79 -12.841 -5.362 -6.062 1.00 74.54 C ATOM 1199 O ALA A 79 -13.903 -5.877 -5.718 1.00 73.24 O ATOM 1200 CB ALA A 79 -12.051 -4.740 -8.397 1.00 13.22 C ATOM 0 H ALA A 79 -11.428 -2.742 -7.074 1.00 11.20 H new ATOM 0 HA ALA A 79 -13.857 -4.119 -7.489 1.00 2.04 H new ATOM 0 HB1 ALA A 79 -12.495 -5.651 -8.799 1.00 13.22 H new ATOM 0 HB2 ALA A 79 -12.088 -3.955 -9.152 1.00 13.22 H new ATOM 0 HB3 ALA A 79 -11.014 -4.932 -8.123 1.00 13.22 H new ATOM 1206 N GLN A 80 -11.679 -5.608 -5.450 1.00 42.02 N ATOM 1207 CA GLN A 80 -11.504 -6.598 -4.400 1.00 53.35 C ATOM 1208 C GLN A 80 -12.501 -6.431 -3.258 1.00 70.45 C ATOM 1209 O GLN A 80 -12.945 -7.433 -2.724 1.00 61.52 O ATOM 1210 CB GLN A 80 -10.088 -6.550 -3.821 1.00 44.14 C ATOM 1211 CG GLN A 80 -9.007 -7.055 -4.783 1.00 34.20 C ATOM 1212 CD GLN A 80 -7.708 -7.360 -4.050 1.00 44.13 C ATOM 1213 OE1 GLN A 80 -7.477 -6.899 -2.938 1.00 34.11 O ATOM 1214 NE2 GLN A 80 -6.804 -8.102 -4.669 1.00 11.23 N ATOM 0 H GLN A 80 -10.819 -5.110 -5.681 1.00 42.02 H new ATOM 0 HA GLN A 80 -11.681 -7.563 -4.875 1.00 53.35 H new ATOM 0 HB2 GLN A 80 -9.857 -5.523 -3.537 1.00 44.14 H new ATOM 0 HB3 GLN A 80 -10.058 -7.148 -2.910 1.00 44.14 H new ATOM 0 HG2 GLN A 80 -9.360 -7.953 -5.290 1.00 34.20 H new ATOM 0 HG3 GLN A 80 -8.824 -6.305 -5.553 1.00 34.20 H new ATOM 0 HE21 GLN A 80 -7.003 -8.482 -5.594 1.00 11.23 H new ATOM 0 HE22 GLN A 80 -5.908 -8.294 -4.221 1.00 11.23 H new ATOM 1223 N LEU A 81 -12.862 -5.211 -2.855 1.00 52.33 N ATOM 1224 CA LEU A 81 -13.742 -5.012 -1.706 1.00 13.22 C ATOM 1225 C LEU A 81 -15.172 -5.432 -2.009 1.00 53.15 C ATOM 1226 O LEU A 81 -15.893 -5.843 -1.101 1.00 0.23 O ATOM 1227 CB LEU A 81 -13.782 -3.528 -1.306 1.00 13.04 C ATOM 1228 CG LEU A 81 -12.675 -3.103 -0.341 1.00 34.54 C ATOM 1229 CD1 LEU A 81 -12.592 -1.577 -0.288 1.00 23.20 C ATOM 1230 CD2 LEU A 81 -12.919 -3.648 1.071 1.00 53.45 C ATOM 0 H LEU A 81 -12.558 -4.349 -3.307 1.00 52.33 H new ATOM 0 HA LEU A 81 -13.338 -5.626 -0.901 1.00 13.22 H new ATOM 0 HB2 LEU A 81 -13.714 -2.919 -2.208 1.00 13.04 H new ATOM 0 HB3 LEU A 81 -14.748 -3.314 -0.849 1.00 13.04 H new ATOM 0 HG LEU A 81 -11.736 -3.516 -0.709 1.00 34.54 H new ATOM 0 HD11 LEU A 81 -11.802 -1.279 0.401 1.00 23.20 H new ATOM 0 HD12 LEU A 81 -12.371 -1.190 -1.283 1.00 23.20 H new ATOM 0 HD13 LEU A 81 -13.544 -1.173 0.055 1.00 23.20 H new ATOM 0 HD21 LEU A 81 -12.112 -3.326 1.730 1.00 53.45 H new ATOM 0 HD22 LEU A 81 -13.869 -3.269 1.448 1.00 53.45 H new ATOM 0 HD23 LEU A 81 -12.950 -4.737 1.040 1.00 53.45 H new ATOM 1242 N MET A 82 -15.615 -5.239 -3.249 1.00 64.25 N ATOM 1243 CA MET A 82 -16.942 -5.676 -3.675 1.00 70.33 C ATOM 1244 C MET A 82 -16.945 -7.196 -3.800 1.00 23.44 C ATOM 1245 O MET A 82 -17.905 -7.852 -3.400 1.00 34.50 O ATOM 1246 CB MET A 82 -17.312 -5.020 -5.011 1.00 2.22 C ATOM 1247 CG MET A 82 -17.164 -3.495 -4.983 1.00 11.10 C ATOM 1248 SD MET A 82 -18.330 -2.533 -3.982 1.00 73.32 S ATOM 1249 CE MET A 82 -17.532 -2.580 -2.357 1.00 60.53 C ATOM 0 H MET A 82 -15.071 -4.780 -3.980 1.00 64.25 H new ATOM 0 HA MET A 82 -17.685 -5.375 -2.936 1.00 70.33 H new ATOM 0 HB2 MET A 82 -16.679 -5.428 -5.799 1.00 2.22 H new ATOM 0 HB3 MET A 82 -18.341 -5.276 -5.264 1.00 2.22 H new ATOM 0 HG2 MET A 82 -16.158 -3.266 -4.632 1.00 11.10 H new ATOM 0 HG3 MET A 82 -17.233 -3.136 -6.010 1.00 11.10 H new ATOM 0 HE1 MET A 82 -17.689 -1.630 -1.847 1.00 60.53 H new ATOM 0 HE2 MET A 82 -17.963 -3.386 -1.763 1.00 60.53 H new ATOM 0 HE3 MET A 82 -16.463 -2.753 -2.481 1.00 60.53 H new ATOM 1259 N ASP A 83 -15.849 -7.728 -4.333 1.00 14.31 N ATOM 1260 CA ASP A 83 -15.600 -9.127 -4.630 1.00 1.42 C ATOM 1261 C ASP A 83 -15.359 -9.953 -3.358 1.00 5.44 C ATOM 1262 O ASP A 83 -15.643 -11.149 -3.354 1.00 4.04 O ATOM 1263 CB ASP A 83 -14.388 -9.134 -5.573 1.00 44.02 C ATOM 1264 CG ASP A 83 -13.978 -10.497 -6.118 1.00 41.14 C ATOM 1265 OD1 ASP A 83 -14.424 -10.870 -7.230 1.00 45.04 O ATOM 1266 OD2 ASP A 83 -13.056 -11.108 -5.528 1.00 25.14 O ATOM 0 H ASP A 83 -15.053 -7.143 -4.586 1.00 14.31 H new ATOM 0 HA ASP A 83 -16.465 -9.597 -5.098 1.00 1.42 H new ATOM 0 HB2 ASP A 83 -14.604 -8.477 -6.416 1.00 44.02 H new ATOM 0 HB3 ASP A 83 -13.537 -8.705 -5.044 1.00 44.02 H new ATOM 1271 N GLU A 84 -14.887 -9.343 -2.262 1.00 54.45 N ATOM 1272 CA GLU A 84 -14.538 -10.035 -1.013 1.00 10.04 C ATOM 1273 C GLU A 84 -15.741 -10.525 -0.197 1.00 5.43 C ATOM 1274 O GLU A 84 -15.598 -11.365 0.693 1.00 1.23 O ATOM 1275 CB GLU A 84 -13.626 -9.157 -0.137 1.00 53.22 C ATOM 1276 CG GLU A 84 -14.332 -8.048 0.645 1.00 73.32 C ATOM 1277 CD GLU A 84 -14.261 -8.118 2.173 1.00 20.13 C ATOM 1278 OE1 GLU A 84 -13.478 -8.872 2.785 1.00 43.03 O ATOM 1279 OE2 GLU A 84 -14.910 -7.286 2.840 1.00 2.43 O ATOM 0 H GLU A 84 -14.734 -8.336 -2.218 1.00 54.45 H new ATOM 0 HA GLU A 84 -14.004 -10.932 -1.325 1.00 10.04 H new ATOM 0 HB2 GLU A 84 -13.103 -9.800 0.571 1.00 53.22 H new ATOM 0 HB3 GLU A 84 -12.868 -8.702 -0.775 1.00 53.22 H new ATOM 0 HG2 GLU A 84 -13.912 -7.092 0.330 1.00 73.32 H new ATOM 0 HG3 GLU A 84 -15.383 -8.046 0.355 1.00 73.32 H new ATOM 1286 N LEU A 85 -16.914 -9.949 -0.462 1.00 24.12 N ATOM 1287 CA LEU A 85 -18.124 -10.182 0.315 1.00 53.13 C ATOM 1288 C LEU A 85 -18.754 -11.462 -0.184 1.00 44.12 C ATOM 1289 O LEU A 85 -19.164 -11.505 -1.365 1.00 13.41 O ATOM 1290 CB LEU A 85 -19.062 -8.965 0.210 1.00 34.40 C ATOM 1291 CG LEU A 85 -20.118 -8.914 1.334 1.00 24.12 C ATOM 1292 CD1 LEU A 85 -20.795 -7.542 1.313 1.00 23.21 C ATOM 1293 CD2 LEU A 85 -21.198 -9.989 1.253 1.00 55.41 C ATOM 0 H LEU A 85 -17.048 -9.298 -1.235 1.00 24.12 H new ATOM 0 HA LEU A 85 -17.902 -10.300 1.376 1.00 53.13 H new ATOM 0 HB2 LEU A 85 -18.467 -8.052 0.237 1.00 34.40 H new ATOM 0 HB3 LEU A 85 -19.568 -8.987 -0.755 1.00 34.40 H new ATOM 0 HG LEU A 85 -19.575 -9.099 2.261 1.00 24.12 H new ATOM 0 HD11 LEU A 85 -21.544 -7.494 2.103 1.00 23.21 H new ATOM 0 HD12 LEU A 85 -20.048 -6.765 1.473 1.00 23.21 H new ATOM 0 HD13 LEU A 85 -21.276 -7.389 0.347 1.00 23.21 H new ATOM 0 HD21 LEU A 85 -21.892 -9.871 2.085 1.00 55.41 H new ATOM 0 HD22 LEU A 85 -21.739 -9.891 0.312 1.00 55.41 H new ATOM 0 HD23 LEU A 85 -20.735 -10.974 1.304 1.00 55.41 H new TER 1305 LEU A 85