USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 753 hydrogens (25 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 69 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 82 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 1 MET CE :methyl 177:sc= 0 (180deg=-0.00428) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -111:sc= 0.571 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -167:sc= 0.444 (180deg=0.2) USER MOD Single : A 13 TYR OH : rot 130:sc= -0.0994 USER MOD Single : A 15 MET CE :methyl 140:sc= -0.109 (180deg=-0.705) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 173:sc= 0.702 (180deg=0.592) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.455 USER MOD Single : A 41 ASN : amide:sc= -0.0928 K(o=-0.093,f=-2.4!) USER MOD Single : A 43 MET CE :methyl -176:sc= -0.998 (180deg=-1.04) USER MOD Single : A 44 ASN : amide:sc= 1.14 K(o=1.1,f=-7.2!) USER MOD Single : A 47 LYS NZ :NH3+ 169:sc=-0.00348 (180deg=-0.151) USER MOD Single : A 49 MET CE :methyl -155:sc= -2.35 (180deg=-3.23) USER MOD Single : A 51 TYR OH : rot -135:sc= 0.0635 USER MOD Single : A 56 MET CE :methyl 138:sc= -1.24 (180deg=-3.72!) USER MOD Single : A 59 SER OG : rot 180:sc= -0.29 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -42:sc= 0.0534 USER MOD Single : A 64 HIS : no HD1:sc= -2.01 K(o=-2,f=-5!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.545 X(o=-0.55,f=-0.18) USER MOD Single : A 77 SER OG : rot -19:sc= 0.176 USER MOD Single : A 79 THR OG1 : rot 83:sc= 1.18 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot -22:sc= 0.0813 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.138 16.329 -3.666 1.00 10.41 N ATOM 2 CA MET A 1 5.738 15.400 -2.592 1.00 74.40 C ATOM 3 C MET A 1 4.246 15.618 -2.294 1.00 71.44 C ATOM 4 O MET A 1 3.873 16.419 -1.427 1.00 31.44 O ATOM 5 CB MET A 1 6.644 15.590 -1.345 1.00 34.21 C ATOM 6 CG MET A 1 6.437 14.552 -0.241 1.00 62.54 C ATOM 7 SD MET A 1 6.759 12.871 -0.819 1.00 32.44 S ATOM 8 CE MET A 1 6.529 11.936 0.689 1.00 65.41 C ATOM 0 H1 MET A 1 7.147 16.196 -3.882 1.00 10.41 H new ATOM 0 H2 MET A 1 5.573 16.138 -4.518 1.00 10.41 H new ATOM 0 H3 MET A 1 5.977 17.308 -3.356 1.00 10.41 H new ATOM 0 HA MET A 1 5.873 14.364 -2.904 1.00 74.40 H new ATOM 0 HB2 MET A 1 7.686 15.560 -1.662 1.00 34.21 H new ATOM 0 HB3 MET A 1 6.465 16.582 -0.930 1.00 34.21 H new ATOM 0 HG2 MET A 1 7.096 14.779 0.597 1.00 62.54 H new ATOM 0 HG3 MET A 1 5.414 14.617 0.130 1.00 62.54 H new ATOM 0 HE1 MET A 1 6.643 10.873 0.479 1.00 65.41 H new ATOM 0 HE2 MET A 1 7.273 12.242 1.424 1.00 65.41 H new ATOM 0 HE3 MET A 1 5.531 12.123 1.084 1.00 65.41 H new ATOM 20 N ASP A 2 3.392 14.953 -3.095 1.00 10.02 N ATOM 21 CA ASP A 2 1.924 15.094 -3.037 1.00 24.33 C ATOM 22 C ASP A 2 1.297 13.808 -2.484 1.00 4.12 C ATOM 23 O ASP A 2 1.866 12.723 -2.647 1.00 31.31 O ATOM 24 CB ASP A 2 1.354 15.392 -4.456 1.00 15.53 C ATOM 25 CG ASP A 2 1.895 16.690 -5.082 1.00 15.41 C ATOM 26 OD1 ASP A 2 3.109 16.754 -5.387 1.00 74.11 O ATOM 27 OD2 ASP A 2 1.115 17.645 -5.277 1.00 74.10 O ATOM 0 H ASP A 2 3.705 14.295 -3.809 1.00 10.02 H new ATOM 0 HA ASP A 2 1.678 15.926 -2.377 1.00 24.33 H new ATOM 0 HB2 ASP A 2 1.589 14.556 -5.115 1.00 15.53 H new ATOM 0 HB3 ASP A 2 0.267 15.454 -4.395 1.00 15.53 H new ATOM 32 N GLY A 3 0.114 13.943 -1.868 1.00 70.43 N ATOM 33 CA GLY A 3 -0.601 12.816 -1.262 1.00 11.12 C ATOM 34 C GLY A 3 -1.160 11.832 -2.290 1.00 74.43 C ATOM 35 O GLY A 3 -1.343 10.649 -1.988 1.00 24.25 O ATOM 0 H GLY A 3 -0.371 14.835 -1.777 1.00 70.43 H new ATOM 0 HA2 GLY A 3 0.074 12.285 -0.591 1.00 11.12 H new ATOM 0 HA3 GLY A 3 -1.420 13.199 -0.653 1.00 11.12 H new ATOM 39 N GLU A 4 -1.458 12.325 -3.510 1.00 41.21 N ATOM 40 CA GLU A 4 -1.912 11.475 -4.629 1.00 50.23 C ATOM 41 C GLU A 4 -0.734 10.928 -5.452 1.00 74.45 C ATOM 42 O GLU A 4 -0.846 9.871 -6.085 1.00 31.40 O ATOM 43 CB GLU A 4 -2.923 12.223 -5.536 1.00 73.22 C ATOM 44 CG GLU A 4 -4.247 12.587 -4.821 1.00 15.14 C ATOM 45 CD GLU A 4 -5.390 12.906 -5.801 1.00 62.23 C ATOM 46 OE1 GLU A 4 -6.099 11.964 -6.225 1.00 13.20 O ATOM 47 OE2 GLU A 4 -5.570 14.087 -6.178 1.00 24.15 O ATOM 0 H GLU A 4 -1.391 13.315 -3.746 1.00 41.21 H new ATOM 0 HA GLU A 4 -2.425 10.620 -4.188 1.00 50.23 H new ATOM 0 HB2 GLU A 4 -2.458 13.136 -5.908 1.00 73.22 H new ATOM 0 HB3 GLU A 4 -3.147 11.603 -6.404 1.00 73.22 H new ATOM 0 HG2 GLU A 4 -4.547 11.759 -4.179 1.00 15.14 H new ATOM 0 HG3 GLU A 4 -4.080 13.448 -4.174 1.00 15.14 H new ATOM 54 N GLU A 5 0.382 11.661 -5.438 1.00 33.30 N ATOM 55 CA GLU A 5 1.629 11.257 -6.111 1.00 61.44 C ATOM 56 C GLU A 5 2.222 10.009 -5.444 1.00 43.41 C ATOM 57 O GLU A 5 2.658 9.086 -6.130 1.00 61.24 O ATOM 58 CB GLU A 5 2.634 12.424 -6.060 1.00 54.42 C ATOM 59 CG GLU A 5 4.045 12.109 -6.588 1.00 21.55 C ATOM 60 CD GLU A 5 5.030 13.248 -6.315 1.00 12.31 C ATOM 61 OE1 GLU A 5 5.318 13.501 -5.128 1.00 63.21 O ATOM 62 OE2 GLU A 5 5.511 13.899 -7.265 1.00 53.40 O ATOM 0 H GLU A 5 0.451 12.558 -4.958 1.00 33.30 H new ATOM 0 HA GLU A 5 1.413 11.012 -7.151 1.00 61.44 H new ATOM 0 HB2 GLU A 5 2.227 13.256 -6.635 1.00 54.42 H new ATOM 0 HB3 GLU A 5 2.719 12.762 -5.027 1.00 54.42 H new ATOM 0 HG2 GLU A 5 4.411 11.195 -6.121 1.00 21.55 H new ATOM 0 HG3 GLU A 5 3.997 11.922 -7.661 1.00 21.55 H new ATOM 69 N VAL A 6 2.207 9.983 -4.096 1.00 50.45 N ATOM 70 CA VAL A 6 2.756 8.847 -3.331 1.00 21.24 C ATOM 71 C VAL A 6 1.953 7.570 -3.592 1.00 55.02 C ATOM 72 O VAL A 6 2.530 6.489 -3.565 1.00 3.25 O ATOM 73 CB VAL A 6 2.866 9.116 -1.782 1.00 33.22 C ATOM 74 CG1 VAL A 6 3.792 10.318 -1.482 1.00 4.20 C ATOM 75 CG2 VAL A 6 1.478 9.305 -1.125 1.00 44.30 C ATOM 0 H VAL A 6 1.823 10.731 -3.518 1.00 50.45 H new ATOM 0 HA VAL A 6 3.776 8.716 -3.693 1.00 21.24 H new ATOM 0 HB VAL A 6 3.315 8.228 -1.338 1.00 33.22 H new ATOM 0 HG11 VAL A 6 3.846 10.476 -0.405 1.00 4.20 H new ATOM 0 HG12 VAL A 6 4.790 10.114 -1.869 1.00 4.20 H new ATOM 0 HG13 VAL A 6 3.394 11.213 -1.961 1.00 4.20 H new ATOM 0 HG21 VAL A 6 1.603 9.488 -0.058 1.00 44.30 H new ATOM 0 HG22 VAL A 6 0.972 10.155 -1.582 1.00 44.30 H new ATOM 0 HG23 VAL A 6 0.880 8.405 -1.272 1.00 44.30 H new ATOM 85 N LYS A 7 0.639 7.731 -3.899 1.00 41.03 N ATOM 86 CA LYS A 7 -0.266 6.607 -4.212 1.00 74.25 C ATOM 87 C LYS A 7 0.296 5.710 -5.337 1.00 24.43 C ATOM 88 O LYS A 7 0.470 4.498 -5.146 1.00 72.30 O ATOM 89 CB LYS A 7 -1.678 7.118 -4.620 1.00 31.41 C ATOM 90 CG LYS A 7 -2.537 7.735 -3.496 1.00 4.32 C ATOM 91 CD LYS A 7 -4.015 7.943 -3.942 1.00 63.25 C ATOM 92 CE LYS A 7 -4.152 8.745 -5.255 1.00 53.42 C ATOM 93 NZ LYS A 7 -5.561 9.056 -5.607 1.00 22.51 N ATOM 0 H LYS A 7 0.184 8.643 -3.935 1.00 41.03 H new ATOM 0 HA LYS A 7 -0.347 6.012 -3.302 1.00 74.25 H new ATOM 0 HB2 LYS A 7 -1.557 7.864 -5.406 1.00 31.41 H new ATOM 0 HB3 LYS A 7 -2.231 6.285 -5.054 1.00 31.41 H new ATOM 0 HG2 LYS A 7 -2.510 7.086 -2.621 1.00 4.32 H new ATOM 0 HG3 LYS A 7 -2.110 8.692 -3.197 1.00 4.32 H new ATOM 0 HD2 LYS A 7 -4.489 6.970 -4.068 1.00 63.25 H new ATOM 0 HD3 LYS A 7 -4.556 8.461 -3.150 1.00 63.25 H new ATOM 0 HE2 LYS A 7 -3.593 9.676 -5.164 1.00 53.42 H new ATOM 0 HE3 LYS A 7 -3.698 8.179 -6.068 1.00 53.42 H new ATOM 0 HZ1 LYS A 7 -5.836 8.513 -6.451 1.00 22.51 H new ATOM 0 HZ2 LYS A 7 -6.182 8.800 -4.813 1.00 22.51 H new ATOM 0 HZ3 LYS A 7 -5.653 10.073 -5.804 1.00 22.51 H new ATOM 107 N GLU A 8 0.565 6.320 -6.506 1.00 63.23 N ATOM 108 CA GLU A 8 1.089 5.593 -7.676 1.00 33.30 C ATOM 109 C GLU A 8 2.496 5.043 -7.389 1.00 11.42 C ATOM 110 O GLU A 8 2.824 3.958 -7.854 1.00 5.34 O ATOM 111 CB GLU A 8 1.070 6.479 -8.956 1.00 12.13 C ATOM 112 CG GLU A 8 1.996 7.714 -8.918 1.00 34.13 C ATOM 113 CD GLU A 8 1.926 8.586 -10.186 1.00 73.35 C ATOM 114 OE1 GLU A 8 2.531 8.213 -11.220 1.00 52.53 O ATOM 115 OE2 GLU A 8 1.229 9.626 -10.169 1.00 34.24 O ATOM 0 H GLU A 8 0.427 7.318 -6.665 1.00 63.23 H new ATOM 0 HA GLU A 8 0.431 4.745 -7.866 1.00 33.30 H new ATOM 0 HB2 GLU A 8 1.350 5.862 -9.809 1.00 12.13 H new ATOM 0 HB3 GLU A 8 0.048 6.817 -9.129 1.00 12.13 H new ATOM 0 HG2 GLU A 8 1.735 8.325 -8.054 1.00 34.13 H new ATOM 0 HG3 GLU A 8 3.024 7.381 -8.774 1.00 34.13 H new ATOM 122 N LYS A 9 3.300 5.769 -6.568 1.00 22.24 N ATOM 123 CA LYS A 9 4.667 5.325 -6.199 1.00 71.14 C ATOM 124 C LYS A 9 4.634 4.038 -5.350 1.00 41.00 C ATOM 125 O LYS A 9 5.569 3.234 -5.420 1.00 41.54 O ATOM 126 CB LYS A 9 5.454 6.440 -5.461 1.00 10.32 C ATOM 127 CG LYS A 9 5.651 7.759 -6.255 1.00 55.02 C ATOM 128 CD LYS A 9 6.661 8.723 -5.566 1.00 71.52 C ATOM 129 CE LYS A 9 6.311 9.037 -4.099 1.00 31.33 C ATOM 130 NZ LYS A 9 7.410 9.736 -3.387 1.00 51.10 N ATOM 0 H LYS A 9 3.025 6.659 -6.152 1.00 22.24 H new ATOM 0 HA LYS A 9 5.189 5.105 -7.131 1.00 71.14 H new ATOM 0 HB2 LYS A 9 4.935 6.671 -4.530 1.00 10.32 H new ATOM 0 HB3 LYS A 9 6.435 6.050 -5.191 1.00 10.32 H new ATOM 0 HG2 LYS A 9 6.004 7.526 -7.260 1.00 55.02 H new ATOM 0 HG3 LYS A 9 4.690 8.261 -6.363 1.00 55.02 H new ATOM 0 HD2 LYS A 9 7.657 8.282 -5.607 1.00 71.52 H new ATOM 0 HD3 LYS A 9 6.702 9.656 -6.129 1.00 71.52 H new ATOM 0 HE2 LYS A 9 5.413 9.654 -4.068 1.00 31.33 H new ATOM 0 HE3 LYS A 9 6.078 8.108 -3.578 1.00 31.33 H new ATOM 0 HZ1 LYS A 9 7.221 9.728 -2.364 1.00 51.10 H new ATOM 0 HZ2 LYS A 9 8.310 9.251 -3.576 1.00 51.10 H new ATOM 0 HZ3 LYS A 9 7.470 10.719 -3.721 1.00 51.10 H new ATOM 144 N ILE A 10 3.546 3.852 -4.567 1.00 43.03 N ATOM 145 CA ILE A 10 3.304 2.600 -3.816 1.00 52.31 C ATOM 146 C ILE A 10 3.104 1.454 -4.817 1.00 70.41 C ATOM 147 O ILE A 10 3.721 0.397 -4.697 1.00 2.42 O ATOM 148 CB ILE A 10 2.040 2.693 -2.868 1.00 65.12 C ATOM 149 CG1 ILE A 10 2.145 3.892 -1.870 1.00 21.33 C ATOM 150 CG2 ILE A 10 1.787 1.370 -2.102 1.00 43.41 C ATOM 151 CD1 ILE A 10 3.391 3.916 -0.991 1.00 64.13 C ATOM 0 H ILE A 10 2.820 4.557 -4.439 1.00 43.03 H new ATOM 0 HA ILE A 10 4.171 2.421 -3.181 1.00 52.31 H new ATOM 0 HB ILE A 10 1.184 2.871 -3.519 1.00 65.12 H new ATOM 0 HG12 ILE A 10 2.108 4.820 -2.441 1.00 21.33 H new ATOM 0 HG13 ILE A 10 1.267 3.880 -1.224 1.00 21.33 H new ATOM 0 HG21 ILE A 10 0.910 1.481 -1.464 1.00 43.41 H new ATOM 0 HG22 ILE A 10 1.617 0.563 -2.815 1.00 43.41 H new ATOM 0 HG23 ILE A 10 2.655 1.134 -1.487 1.00 43.41 H new ATOM 0 HD11 ILE A 10 3.360 4.789 -0.339 1.00 64.13 H new ATOM 0 HD12 ILE A 10 3.426 3.011 -0.384 1.00 64.13 H new ATOM 0 HD13 ILE A 10 4.279 3.965 -1.621 1.00 64.13 H new ATOM 163 N ARG A 11 2.265 1.710 -5.835 1.00 73.34 N ATOM 164 CA ARG A 11 1.886 0.692 -6.840 1.00 51.15 C ATOM 165 C ARG A 11 3.042 0.372 -7.799 1.00 30.10 C ATOM 166 O ARG A 11 3.134 -0.755 -8.292 1.00 31.53 O ATOM 167 CB ARG A 11 0.634 1.117 -7.645 1.00 72.11 C ATOM 168 CG ARG A 11 -0.600 1.522 -6.812 1.00 64.03 C ATOM 169 CD ARG A 11 -0.889 0.619 -5.596 1.00 55.43 C ATOM 170 NE ARG A 11 -0.903 -0.827 -5.905 1.00 5.42 N ATOM 171 CZ ARG A 11 -0.496 -1.788 -5.054 1.00 21.14 C ATOM 172 NH1 ARG A 11 -0.054 -1.476 -3.840 1.00 45.30 N ATOM 173 NH2 ARG A 11 -0.563 -3.063 -5.409 1.00 31.23 N ATOM 0 H ARG A 11 1.831 2.620 -5.987 1.00 73.34 H new ATOM 0 HA ARG A 11 1.646 -0.213 -6.282 1.00 51.15 H new ATOM 0 HB2 ARG A 11 0.906 1.955 -8.286 1.00 72.11 H new ATOM 0 HB3 ARG A 11 0.351 0.293 -8.300 1.00 72.11 H new ATOM 0 HG2 ARG A 11 -0.464 2.545 -6.462 1.00 64.03 H new ATOM 0 HG3 ARG A 11 -1.475 1.522 -7.462 1.00 64.03 H new ATOM 0 HD2 ARG A 11 -0.137 0.808 -4.830 1.00 55.43 H new ATOM 0 HD3 ARG A 11 -1.853 0.898 -5.171 1.00 55.43 H new ATOM 0 HE ARG A 11 -1.243 -1.115 -6.822 1.00 5.42 H new ATOM 0 HH11 ARG A 11 -0.021 -0.500 -3.545 1.00 45.30 H new ATOM 0 HH12 ARG A 11 0.252 -2.212 -3.204 1.00 45.30 H new ATOM 0 HH21 ARG A 11 -0.923 -3.318 -6.328 1.00 31.23 H new ATOM 0 HH22 ARG A 11 -0.254 -3.789 -4.763 1.00 31.23 H new ATOM 187 N ARG A 12 3.908 1.369 -8.050 1.00 42.43 N ATOM 188 CA ARG A 12 5.097 1.212 -8.914 1.00 3.02 C ATOM 189 C ARG A 12 6.126 0.349 -8.194 1.00 53.42 C ATOM 190 O ARG A 12 6.697 -0.561 -8.785 1.00 52.52 O ATOM 191 CB ARG A 12 5.700 2.604 -9.315 1.00 74.20 C ATOM 192 CG ARG A 12 5.196 3.157 -10.678 1.00 52.34 C ATOM 193 CD ARG A 12 3.664 3.244 -10.753 1.00 35.23 C ATOM 194 NE ARG A 12 3.155 3.793 -12.017 1.00 14.55 N ATOM 195 CZ ARG A 12 1.854 3.938 -12.291 1.00 43.25 C ATOM 196 NH1 ARG A 12 0.928 3.582 -11.403 1.00 12.04 N ATOM 197 NH2 ARG A 12 1.488 4.456 -13.448 1.00 52.22 N ATOM 0 H ARG A 12 3.806 2.307 -7.661 1.00 42.43 H new ATOM 0 HA ARG A 12 4.802 0.719 -9.840 1.00 3.02 H new ATOM 0 HB2 ARG A 12 5.463 3.327 -8.534 1.00 74.20 H new ATOM 0 HB3 ARG A 12 6.786 2.518 -9.351 1.00 74.20 H new ATOM 0 HG2 ARG A 12 5.620 4.147 -10.843 1.00 52.34 H new ATOM 0 HG3 ARG A 12 5.559 2.517 -11.482 1.00 52.34 H new ATOM 0 HD2 ARG A 12 3.247 2.247 -10.608 1.00 35.23 H new ATOM 0 HD3 ARG A 12 3.305 3.862 -9.930 1.00 35.23 H new ATOM 0 HE ARG A 12 3.831 4.079 -12.725 1.00 14.55 H new ATOM 0 HH11 ARG A 12 1.208 3.194 -10.502 1.00 12.04 H new ATOM 0 HH12 ARG A 12 -0.061 3.697 -11.624 1.00 12.04 H new ATOM 0 HH21 ARG A 12 2.195 4.742 -14.125 1.00 52.22 H new ATOM 0 HH22 ARG A 12 0.498 4.570 -13.665 1.00 52.22 H new ATOM 211 N TYR A 13 6.309 0.631 -6.896 1.00 44.44 N ATOM 212 CA TYR A 13 7.156 -0.181 -6.006 1.00 32.41 C ATOM 213 C TYR A 13 6.697 -1.657 -6.016 1.00 12.13 C ATOM 214 O TYR A 13 7.521 -2.560 -6.047 1.00 51.01 O ATOM 215 CB TYR A 13 7.146 0.415 -4.574 1.00 74.54 C ATOM 216 CG TYR A 13 7.996 -0.375 -3.555 1.00 71.30 C ATOM 217 CD1 TYR A 13 9.382 -0.508 -3.730 1.00 70.43 C ATOM 218 CD2 TYR A 13 7.422 -0.986 -2.436 1.00 73.20 C ATOM 219 CE1 TYR A 13 10.147 -1.221 -2.834 1.00 32.32 C ATOM 220 CE2 TYR A 13 8.192 -1.695 -1.540 1.00 32.31 C ATOM 221 CZ TYR A 13 9.551 -1.807 -1.743 1.00 15.10 C ATOM 222 OH TYR A 13 10.318 -2.529 -0.869 1.00 72.02 O ATOM 0 H TYR A 13 5.874 1.429 -6.432 1.00 44.44 H new ATOM 0 HA TYR A 13 8.183 -0.158 -6.371 1.00 32.41 H new ATOM 0 HB2 TYR A 13 7.511 1.441 -4.617 1.00 74.54 H new ATOM 0 HB3 TYR A 13 6.117 0.457 -4.217 1.00 74.54 H new ATOM 0 HD1 TYR A 13 9.857 -0.043 -4.582 1.00 70.43 H new ATOM 0 HD2 TYR A 13 6.358 -0.901 -2.271 1.00 73.20 H new ATOM 0 HE1 TYR A 13 11.211 -1.319 -2.988 1.00 32.32 H new ATOM 0 HE2 TYR A 13 7.732 -2.162 -0.681 1.00 32.31 H new ATOM 0 HH TYR A 13 10.139 -2.230 0.047 1.00 72.02 H new ATOM 232 N ILE A 14 5.376 -1.874 -6.042 1.00 24.55 N ATOM 233 CA ILE A 14 4.790 -3.223 -6.087 1.00 63.10 C ATOM 234 C ILE A 14 5.105 -3.925 -7.426 1.00 51.33 C ATOM 235 O ILE A 14 5.794 -4.943 -7.426 1.00 3.12 O ATOM 236 CB ILE A 14 3.247 -3.170 -5.799 1.00 63.30 C ATOM 237 CG1 ILE A 14 2.974 -2.660 -4.351 1.00 61.22 C ATOM 238 CG2 ILE A 14 2.569 -4.537 -6.018 1.00 61.53 C ATOM 239 CD1 ILE A 14 3.527 -3.553 -3.253 1.00 2.04 C ATOM 0 H ILE A 14 4.685 -1.124 -6.033 1.00 24.55 H new ATOM 0 HA ILE A 14 5.249 -3.821 -5.299 1.00 63.10 H new ATOM 0 HB ILE A 14 2.813 -2.469 -6.512 1.00 63.30 H new ATOM 0 HG12 ILE A 14 3.404 -1.664 -4.243 1.00 61.22 H new ATOM 0 HG13 ILE A 14 1.898 -2.559 -4.212 1.00 61.22 H new ATOM 0 HG21 ILE A 14 1.503 -4.452 -5.807 1.00 61.53 H new ATOM 0 HG22 ILE A 14 2.710 -4.852 -7.052 1.00 61.53 H new ATOM 0 HG23 ILE A 14 3.014 -5.275 -5.350 1.00 61.53 H new ATOM 0 HD11 ILE A 14 3.291 -3.122 -2.280 1.00 2.04 H new ATOM 0 HD12 ILE A 14 3.079 -4.544 -3.329 1.00 2.04 H new ATOM 0 HD13 ILE A 14 4.609 -3.635 -3.361 1.00 2.04 H new ATOM 251 N MET A 15 4.639 -3.343 -8.547 1.00 41.15 N ATOM 252 CA MET A 15 4.783 -3.944 -9.903 1.00 61.51 C ATOM 253 C MET A 15 6.264 -4.231 -10.235 1.00 52.21 C ATOM 254 O MET A 15 6.617 -5.360 -10.568 1.00 0.00 O ATOM 255 CB MET A 15 4.209 -2.985 -10.998 1.00 24.40 C ATOM 256 CG MET A 15 2.709 -2.629 -10.898 1.00 23.25 C ATOM 257 SD MET A 15 1.646 -3.570 -12.031 1.00 70.01 S ATOM 258 CE MET A 15 1.665 -5.230 -11.356 1.00 13.33 C ATOM 0 H MET A 15 4.153 -2.446 -8.548 1.00 41.15 H new ATOM 0 HA MET A 15 4.225 -4.880 -9.898 1.00 61.51 H new ATOM 0 HB2 MET A 15 4.781 -2.057 -10.970 1.00 24.40 H new ATOM 0 HB3 MET A 15 4.386 -3.439 -11.973 1.00 24.40 H new ATOM 0 HG2 MET A 15 2.373 -2.801 -9.875 1.00 23.25 H new ATOM 0 HG3 MET A 15 2.585 -1.565 -11.100 1.00 23.25 H new ATOM 0 HE1 MET A 15 0.667 -5.662 -11.425 1.00 13.33 H new ATOM 0 HE2 MET A 15 2.366 -5.844 -11.921 1.00 13.33 H new ATOM 0 HE3 MET A 15 1.973 -5.194 -10.311 1.00 13.33 H new ATOM 268 N GLU A 16 7.108 -3.195 -10.088 1.00 51.22 N ATOM 269 CA GLU A 16 8.516 -3.215 -10.539 1.00 55.43 C ATOM 270 C GLU A 16 9.407 -4.064 -9.611 1.00 14.43 C ATOM 271 O GLU A 16 10.261 -4.798 -10.094 1.00 64.32 O ATOM 272 CB GLU A 16 9.058 -1.761 -10.633 1.00 15.13 C ATOM 273 CG GLU A 16 8.232 -0.834 -11.554 1.00 12.42 C ATOM 274 CD GLU A 16 8.663 0.651 -11.484 1.00 54.03 C ATOM 275 OE1 GLU A 16 8.580 1.245 -10.391 1.00 10.12 O ATOM 276 OE2 GLU A 16 9.068 1.234 -12.517 1.00 4.05 O ATOM 0 H GLU A 16 6.834 -2.315 -9.651 1.00 51.22 H new ATOM 0 HA GLU A 16 8.546 -3.679 -11.525 1.00 55.43 H new ATOM 0 HB2 GLU A 16 9.085 -1.330 -9.632 1.00 15.13 H new ATOM 0 HB3 GLU A 16 10.086 -1.791 -10.994 1.00 15.13 H new ATOM 0 HG2 GLU A 16 8.323 -1.182 -12.583 1.00 12.42 H new ATOM 0 HG3 GLU A 16 7.179 -0.911 -11.284 1.00 12.42 H new ATOM 283 N ASP A 17 9.206 -3.953 -8.282 1.00 3.40 N ATOM 284 CA ASP A 17 10.064 -4.651 -7.277 1.00 13.13 C ATOM 285 C ASP A 17 9.430 -5.972 -6.801 1.00 32.11 C ATOM 286 O ASP A 17 10.021 -7.041 -6.989 1.00 40.24 O ATOM 287 CB ASP A 17 10.374 -3.707 -6.074 1.00 15.10 C ATOM 288 CG ASP A 17 11.136 -4.388 -4.914 1.00 44.23 C ATOM 289 OD1 ASP A 17 12.322 -4.738 -5.097 1.00 61.50 O ATOM 290 OD2 ASP A 17 10.562 -4.563 -3.813 1.00 5.04 O ATOM 0 H ASP A 17 8.461 -3.390 -7.871 1.00 3.40 H new ATOM 0 HA ASP A 17 11.005 -4.908 -7.764 1.00 13.13 H new ATOM 0 HB2 ASP A 17 10.961 -2.861 -6.432 1.00 15.10 H new ATOM 0 HB3 ASP A 17 9.436 -3.305 -5.691 1.00 15.10 H new ATOM 295 N LEU A 18 8.220 -5.896 -6.212 1.00 63.30 N ATOM 296 CA LEU A 18 7.565 -7.072 -5.573 1.00 42.34 C ATOM 297 C LEU A 18 7.138 -8.147 -6.593 1.00 54.02 C ATOM 298 O LEU A 18 7.155 -9.343 -6.271 1.00 52.44 O ATOM 299 CB LEU A 18 6.362 -6.642 -4.684 1.00 1.10 C ATOM 300 CG LEU A 18 6.720 -5.952 -3.321 1.00 3.41 C ATOM 301 CD1 LEU A 18 7.748 -6.780 -2.512 1.00 71.21 C ATOM 302 CD2 LEU A 18 7.207 -4.496 -3.489 1.00 72.45 C ATOM 0 H LEU A 18 7.671 -5.038 -6.162 1.00 63.30 H new ATOM 0 HA LEU A 18 8.319 -7.527 -4.931 1.00 42.34 H new ATOM 0 HB2 LEU A 18 5.737 -5.959 -5.260 1.00 1.10 H new ATOM 0 HB3 LEU A 18 5.759 -7.525 -4.473 1.00 1.10 H new ATOM 0 HG LEU A 18 5.788 -5.913 -2.757 1.00 3.41 H new ATOM 0 HD11 LEU A 18 7.970 -6.269 -1.575 1.00 71.21 H new ATOM 0 HD12 LEU A 18 7.334 -7.766 -2.299 1.00 71.21 H new ATOM 0 HD13 LEU A 18 8.665 -6.889 -3.092 1.00 71.21 H new ATOM 0 HD21 LEU A 18 7.438 -4.075 -2.511 1.00 72.45 H new ATOM 0 HD22 LEU A 18 8.102 -4.481 -4.111 1.00 72.45 H new ATOM 0 HD23 LEU A 18 6.425 -3.903 -3.964 1.00 72.45 H new ATOM 314 N ILE A 19 6.721 -7.723 -7.801 1.00 41.32 N ATOM 315 CA ILE A 19 6.426 -8.656 -8.912 1.00 40.32 C ATOM 316 C ILE A 19 7.702 -8.855 -9.755 1.00 52.24 C ATOM 317 O ILE A 19 8.122 -9.992 -10.029 1.00 22.21 O ATOM 318 CB ILE A 19 5.232 -8.180 -9.853 1.00 55.32 C ATOM 319 CG1 ILE A 19 3.830 -8.154 -9.139 1.00 21.40 C ATOM 320 CG2 ILE A 19 5.135 -9.091 -11.109 1.00 21.42 C ATOM 321 CD1 ILE A 19 3.696 -7.309 -7.896 1.00 44.45 C ATOM 0 H ILE A 19 6.580 -6.740 -8.035 1.00 41.32 H new ATOM 0 HA ILE A 19 6.101 -9.593 -8.459 1.00 40.32 H new ATOM 0 HB ILE A 19 5.473 -7.154 -10.132 1.00 55.32 H new ATOM 0 HG12 ILE A 19 3.091 -7.808 -9.862 1.00 21.40 H new ATOM 0 HG13 ILE A 19 3.566 -9.179 -8.879 1.00 21.40 H new ATOM 0 HG21 ILE A 19 4.314 -8.752 -11.742 1.00 21.42 H new ATOM 0 HG22 ILE A 19 6.069 -9.040 -11.668 1.00 21.42 H new ATOM 0 HG23 ILE A 19 4.953 -10.120 -10.799 1.00 21.42 H new ATOM 0 HD11 ILE A 19 2.679 -7.386 -7.512 1.00 44.45 H new ATOM 0 HD12 ILE A 19 4.397 -7.661 -7.139 1.00 44.45 H new ATOM 0 HD13 ILE A 19 3.915 -6.269 -8.138 1.00 44.45 H new ATOM 333 N GLY A 20 8.326 -7.732 -10.140 1.00 10.24 N ATOM 334 CA GLY A 20 9.505 -7.729 -11.021 1.00 33.33 C ATOM 335 C GLY A 20 9.199 -7.099 -12.385 1.00 54.33 C ATOM 336 O GLY A 20 8.146 -6.465 -12.547 1.00 70.22 O ATOM 0 H GLY A 20 8.028 -6.800 -9.850 1.00 10.24 H new ATOM 0 HA2 GLY A 20 10.315 -7.180 -10.541 1.00 33.33 H new ATOM 0 HA3 GLY A 20 9.854 -8.752 -11.164 1.00 33.33 H new ATOM 340 N PRO A 21 10.099 -7.272 -13.408 1.00 14.43 N ATOM 341 CA PRO A 21 9.877 -6.738 -14.781 1.00 53.41 C ATOM 342 C PRO A 21 8.705 -7.446 -15.501 1.00 60.24 C ATOM 343 O PRO A 21 8.171 -6.945 -16.490 1.00 20.33 O ATOM 344 CB PRO A 21 11.231 -7.008 -15.488 1.00 32.52 C ATOM 345 CG PRO A 21 11.810 -8.179 -14.763 1.00 73.13 C ATOM 346 CD PRO A 21 11.393 -8.004 -13.317 1.00 32.51 C ATOM 0 HA PRO A 21 9.596 -5.685 -14.781 1.00 53.41 H new ATOM 0 HB2 PRO A 21 11.088 -7.228 -16.546 1.00 32.52 H new ATOM 0 HB3 PRO A 21 11.889 -6.141 -15.429 1.00 32.52 H new ATOM 0 HG2 PRO A 21 11.434 -9.118 -15.169 1.00 73.13 H new ATOM 0 HG3 PRO A 21 12.896 -8.203 -14.859 1.00 73.13 H new ATOM 0 HD2 PRO A 21 11.275 -8.964 -12.815 1.00 32.51 H new ATOM 0 HD3 PRO A 21 12.134 -7.438 -12.752 1.00 32.51 H new ATOM 354 N SER A 22 8.301 -8.605 -14.961 1.00 52.54 N ATOM 355 CA SER A 22 7.183 -9.418 -15.463 1.00 64.52 C ATOM 356 C SER A 22 5.818 -8.930 -14.892 1.00 33.01 C ATOM 357 O SER A 22 4.871 -9.722 -14.765 1.00 64.32 O ATOM 358 CB SER A 22 7.466 -10.880 -15.053 1.00 73.22 C ATOM 359 OG SER A 22 8.735 -11.310 -15.536 1.00 14.34 O ATOM 0 H SER A 22 8.754 -9.013 -14.143 1.00 52.54 H new ATOM 0 HA SER A 22 7.108 -9.328 -16.547 1.00 64.52 H new ATOM 0 HB2 SER A 22 7.437 -10.969 -13.967 1.00 73.22 H new ATOM 0 HB3 SER A 22 6.684 -11.530 -15.447 1.00 73.22 H new ATOM 0 HG SER A 22 8.892 -12.238 -15.262 1.00 14.34 H new ATOM 365 N ALA A 23 5.735 -7.613 -14.572 1.00 64.30 N ATOM 366 CA ALA A 23 4.559 -6.978 -13.956 1.00 73.13 C ATOM 367 C ALA A 23 3.301 -7.083 -14.838 1.00 44.41 C ATOM 368 O ALA A 23 3.330 -6.707 -16.017 1.00 73.31 O ATOM 369 CB ALA A 23 4.879 -5.511 -13.648 1.00 73.33 C ATOM 0 H ALA A 23 6.500 -6.959 -14.741 1.00 64.30 H new ATOM 0 HA ALA A 23 4.336 -7.512 -13.033 1.00 73.13 H new ATOM 0 HB1 ALA A 23 4.010 -5.037 -13.191 1.00 73.33 H new ATOM 0 HB2 ALA A 23 5.723 -5.459 -12.961 1.00 73.33 H new ATOM 0 HB3 ALA A 23 5.131 -4.992 -14.573 1.00 73.33 H new ATOM 375 N LYS A 24 2.204 -7.607 -14.244 1.00 54.23 N ATOM 376 CA LYS A 24 0.876 -7.679 -14.883 1.00 31.31 C ATOM 377 C LYS A 24 0.069 -6.444 -14.468 1.00 54.44 C ATOM 378 O LYS A 24 -0.663 -6.457 -13.463 1.00 52.24 O ATOM 379 CB LYS A 24 0.101 -8.967 -14.517 1.00 53.22 C ATOM 380 CG LYS A 24 0.796 -10.289 -14.899 1.00 72.52 C ATOM 381 CD LYS A 24 1.860 -10.730 -13.875 1.00 40.23 C ATOM 382 CE LYS A 24 2.511 -12.063 -14.248 1.00 51.12 C ATOM 383 NZ LYS A 24 3.216 -11.998 -15.545 1.00 34.23 N ATOM 0 H LYS A 24 2.219 -7.994 -13.300 1.00 54.23 H new ATOM 0 HA LYS A 24 1.022 -7.704 -15.963 1.00 31.31 H new ATOM 0 HB2 LYS A 24 -0.080 -8.969 -13.442 1.00 53.22 H new ATOM 0 HB3 LYS A 24 -0.874 -8.935 -15.004 1.00 53.22 H new ATOM 0 HG2 LYS A 24 0.045 -11.073 -14.994 1.00 72.52 H new ATOM 0 HG3 LYS A 24 1.265 -10.177 -15.876 1.00 72.52 H new ATOM 0 HD2 LYS A 24 2.629 -9.961 -13.801 1.00 40.23 H new ATOM 0 HD3 LYS A 24 1.399 -10.816 -12.891 1.00 40.23 H new ATOM 0 HE2 LYS A 24 3.215 -12.352 -13.468 1.00 51.12 H new ATOM 0 HE3 LYS A 24 1.747 -12.839 -14.291 1.00 51.12 H new ATOM 0 HZ1 LYS A 24 3.739 -12.883 -15.700 1.00 34.23 H new ATOM 0 HZ2 LYS A 24 2.524 -11.866 -16.310 1.00 34.23 H new ATOM 0 HZ3 LYS A 24 3.882 -11.199 -15.539 1.00 34.23 H new ATOM 397 N GLU A 25 0.250 -5.377 -15.241 1.00 42.12 N ATOM 398 CA GLU A 25 -0.307 -4.039 -14.957 1.00 44.12 C ATOM 399 C GLU A 25 -1.835 -4.001 -15.186 1.00 71.52 C ATOM 400 O GLU A 25 -2.523 -3.090 -14.714 1.00 71.12 O ATOM 401 CB GLU A 25 0.420 -2.996 -15.852 1.00 3.22 C ATOM 402 CG GLU A 25 1.959 -3.041 -15.726 1.00 43.53 C ATOM 403 CD GLU A 25 2.687 -2.112 -16.717 1.00 63.41 C ATOM 404 OE1 GLU A 25 2.921 -2.524 -17.879 1.00 52.12 O ATOM 405 OE2 GLU A 25 2.995 -0.955 -16.353 1.00 4.14 O ATOM 0 H GLU A 25 0.797 -5.409 -16.101 1.00 42.12 H new ATOM 0 HA GLU A 25 -0.142 -3.798 -13.907 1.00 44.12 H new ATOM 0 HB2 GLU A 25 0.144 -3.167 -16.892 1.00 3.22 H new ATOM 0 HB3 GLU A 25 0.071 -1.997 -15.589 1.00 3.22 H new ATOM 0 HG2 GLU A 25 2.240 -2.766 -14.709 1.00 43.53 H new ATOM 0 HG3 GLU A 25 2.298 -4.065 -15.884 1.00 43.53 H new ATOM 412 N ASP A 26 -2.328 -5.002 -15.930 1.00 52.00 N ATOM 413 CA ASP A 26 -3.757 -5.212 -16.216 1.00 14.51 C ATOM 414 C ASP A 26 -4.511 -5.713 -14.970 1.00 44.14 C ATOM 415 O ASP A 26 -5.704 -5.457 -14.817 1.00 52.41 O ATOM 416 CB ASP A 26 -3.897 -6.243 -17.370 1.00 65.12 C ATOM 417 CG ASP A 26 -5.344 -6.448 -17.834 1.00 23.11 C ATOM 418 OD1 ASP A 26 -5.917 -5.493 -18.406 1.00 72.52 O ATOM 419 OD2 ASP A 26 -5.924 -7.539 -17.613 1.00 62.11 O ATOM 0 H ASP A 26 -1.729 -5.707 -16.361 1.00 52.00 H new ATOM 0 HA ASP A 26 -4.197 -4.259 -16.509 1.00 14.51 H new ATOM 0 HB2 ASP A 26 -3.296 -5.913 -18.217 1.00 65.12 H new ATOM 0 HB3 ASP A 26 -3.489 -7.200 -17.043 1.00 65.12 H new ATOM 424 N GLU A 27 -3.797 -6.448 -14.101 1.00 50.14 N ATOM 425 CA GLU A 27 -4.374 -7.042 -12.878 1.00 12.43 C ATOM 426 C GLU A 27 -4.412 -6.024 -11.735 1.00 0.40 C ATOM 427 O GLU A 27 -5.305 -6.071 -10.879 1.00 63.34 O ATOM 428 CB GLU A 27 -3.585 -8.314 -12.473 1.00 62.34 C ATOM 429 CG GLU A 27 -3.667 -9.449 -13.517 1.00 51.45 C ATOM 430 CD GLU A 27 -3.076 -10.771 -13.002 1.00 33.43 C ATOM 431 OE1 GLU A 27 -3.656 -11.350 -12.070 1.00 30.51 O ATOM 432 OE2 GLU A 27 -2.032 -11.232 -13.498 1.00 71.12 O ATOM 0 H GLU A 27 -2.804 -6.648 -14.224 1.00 50.14 H new ATOM 0 HA GLU A 27 -5.403 -7.332 -13.089 1.00 12.43 H new ATOM 0 HB2 GLU A 27 -2.539 -8.049 -12.318 1.00 62.34 H new ATOM 0 HB3 GLU A 27 -3.966 -8.680 -11.520 1.00 62.34 H new ATOM 0 HG2 GLU A 27 -4.709 -9.606 -13.796 1.00 51.45 H new ATOM 0 HG3 GLU A 27 -3.137 -9.146 -14.420 1.00 51.45 H new ATOM 439 N LEU A 28 -3.433 -5.111 -11.719 1.00 23.13 N ATOM 440 CA LEU A 28 -3.366 -4.051 -10.718 1.00 53.14 C ATOM 441 C LEU A 28 -4.228 -2.850 -11.162 1.00 64.03 C ATOM 442 O LEU A 28 -4.290 -2.513 -12.348 1.00 14.00 O ATOM 443 CB LEU A 28 -1.881 -3.653 -10.474 1.00 74.35 C ATOM 444 CG LEU A 28 -1.576 -2.762 -9.204 1.00 13.22 C ATOM 445 CD1 LEU A 28 -0.150 -3.011 -8.674 1.00 12.10 C ATOM 446 CD2 LEU A 28 -1.769 -1.252 -9.485 1.00 62.12 C ATOM 0 H LEU A 28 -2.672 -5.090 -12.397 1.00 23.13 H new ATOM 0 HA LEU A 28 -3.771 -4.407 -9.771 1.00 53.14 H new ATOM 0 HB2 LEU A 28 -1.294 -4.568 -10.395 1.00 74.35 H new ATOM 0 HB3 LEU A 28 -1.524 -3.120 -11.355 1.00 74.35 H new ATOM 0 HG LEU A 28 -2.297 -3.059 -8.443 1.00 13.22 H new ATOM 0 HD11 LEU A 28 0.028 -2.383 -7.801 1.00 12.10 H new ATOM 0 HD12 LEU A 28 -0.043 -4.059 -8.395 1.00 12.10 H new ATOM 0 HD13 LEU A 28 0.575 -2.767 -9.451 1.00 12.10 H new ATOM 0 HD21 LEU A 28 -1.548 -0.683 -8.582 1.00 62.12 H new ATOM 0 HD22 LEU A 28 -1.096 -0.942 -10.284 1.00 62.12 H new ATOM 0 HD23 LEU A 28 -2.800 -1.067 -9.787 1.00 62.12 H new ATOM 458 N ASP A 29 -4.896 -2.245 -10.178 1.00 31.43 N ATOM 459 CA ASP A 29 -5.646 -0.984 -10.317 1.00 43.41 C ATOM 460 C ASP A 29 -5.705 -0.325 -8.931 1.00 74.44 C ATOM 461 O ASP A 29 -5.310 -0.953 -7.927 1.00 71.32 O ATOM 462 CB ASP A 29 -7.081 -1.264 -10.849 1.00 42.03 C ATOM 463 CG ASP A 29 -7.819 -0.020 -11.387 1.00 71.43 C ATOM 464 OD1 ASP A 29 -8.505 0.677 -10.607 1.00 31.15 O ATOM 465 OD2 ASP A 29 -7.743 0.246 -12.603 1.00 72.15 O ATOM 0 H ASP A 29 -4.934 -2.626 -9.233 1.00 31.43 H new ATOM 0 HA ASP A 29 -5.154 -0.323 -11.030 1.00 43.41 H new ATOM 0 HB2 ASP A 29 -7.021 -2.007 -11.644 1.00 42.03 H new ATOM 0 HB3 ASP A 29 -7.673 -1.703 -10.046 1.00 42.03 H new ATOM 470 N ASP A 30 -6.199 0.922 -8.859 1.00 30.44 N ATOM 471 CA ASP A 30 -6.318 1.629 -7.583 1.00 22.11 C ATOM 472 C ASP A 30 -7.577 1.194 -6.819 1.00 62.42 C ATOM 473 O ASP A 30 -7.608 1.294 -5.593 1.00 54.04 O ATOM 474 CB ASP A 30 -6.282 3.169 -7.767 1.00 63.21 C ATOM 475 CG ASP A 30 -7.483 3.740 -8.523 1.00 54.15 C ATOM 476 OD1 ASP A 30 -7.521 3.600 -9.760 1.00 21.40 O ATOM 477 OD2 ASP A 30 -8.389 4.329 -7.887 1.00 25.11 O ATOM 0 H ASP A 30 -6.520 1.455 -9.667 1.00 30.44 H new ATOM 0 HA ASP A 30 -5.449 1.354 -6.985 1.00 22.11 H new ATOM 0 HB2 ASP A 30 -6.228 3.639 -6.785 1.00 63.21 H new ATOM 0 HB3 ASP A 30 -5.370 3.438 -8.300 1.00 63.21 H new ATOM 482 N GLN A 31 -8.607 0.720 -7.546 1.00 41.11 N ATOM 483 CA GLN A 31 -9.880 0.250 -6.954 1.00 44.02 C ATOM 484 C GLN A 31 -9.968 -1.295 -6.899 1.00 34.33 C ATOM 485 O GLN A 31 -10.896 -1.836 -6.281 1.00 41.31 O ATOM 486 CB GLN A 31 -11.093 0.825 -7.744 1.00 75.24 C ATOM 487 CG GLN A 31 -11.208 2.363 -7.733 1.00 10.20 C ATOM 488 CD GLN A 31 -12.457 2.896 -8.448 1.00 34.33 C ATOM 489 OE1 GLN A 31 -12.954 2.283 -9.396 1.00 75.15 O ATOM 490 NE2 GLN A 31 -12.977 4.032 -7.998 1.00 74.22 N ATOM 0 H GLN A 31 -8.582 0.651 -8.563 1.00 41.11 H new ATOM 0 HA GLN A 31 -9.909 0.616 -5.928 1.00 44.02 H new ATOM 0 HB2 GLN A 31 -11.026 0.488 -8.778 1.00 75.24 H new ATOM 0 HB3 GLN A 31 -12.009 0.404 -7.330 1.00 75.24 H new ATOM 0 HG2 GLN A 31 -11.216 2.710 -6.700 1.00 10.20 H new ATOM 0 HG3 GLN A 31 -10.322 2.788 -8.205 1.00 10.20 H new ATOM 0 HE21 GLN A 31 -12.543 4.516 -7.212 1.00 74.22 H new ATOM 0 HE22 GLN A 31 -13.811 4.421 -8.438 1.00 74.22 H new ATOM 499 N THR A 32 -9.019 -2.001 -7.547 1.00 0.31 N ATOM 500 CA THR A 32 -8.977 -3.480 -7.547 1.00 61.14 C ATOM 501 C THR A 32 -8.419 -4.002 -6.203 1.00 60.23 C ATOM 502 O THR A 32 -7.358 -3.532 -5.769 1.00 11.22 O ATOM 503 CB THR A 32 -8.107 -4.007 -8.739 1.00 34.54 C ATOM 504 OG1 THR A 32 -8.795 -3.752 -9.969 1.00 42.43 O ATOM 505 CG2 THR A 32 -7.770 -5.504 -8.654 1.00 25.21 C ATOM 0 H THR A 32 -8.266 -1.568 -8.081 1.00 0.31 H new ATOM 0 HA THR A 32 -9.994 -3.853 -7.671 1.00 61.14 H new ATOM 0 HB THR A 32 -7.158 -3.473 -8.689 1.00 34.54 H new ATOM 0 HG1 THR A 32 -8.255 -4.078 -10.719 1.00 42.43 H new ATOM 0 HG21 THR A 32 -7.166 -5.790 -9.515 1.00 25.21 H new ATOM 0 HG22 THR A 32 -7.212 -5.700 -7.738 1.00 25.21 H new ATOM 0 HG23 THR A 32 -8.692 -6.085 -8.648 1.00 25.21 H new ATOM 513 N PRO A 33 -9.137 -4.971 -5.520 1.00 54.21 N ATOM 514 CA PRO A 33 -8.664 -5.564 -4.252 1.00 23.13 C ATOM 515 C PRO A 33 -7.351 -6.370 -4.450 1.00 60.41 C ATOM 516 O PRO A 33 -7.332 -7.487 -4.967 1.00 22.24 O ATOM 517 CB PRO A 33 -9.853 -6.449 -3.793 1.00 3.51 C ATOM 518 CG PRO A 33 -10.651 -6.720 -5.034 1.00 72.25 C ATOM 519 CD PRO A 33 -10.472 -5.509 -5.919 1.00 54.21 C ATOM 0 HA PRO A 33 -8.402 -4.817 -3.503 1.00 23.13 H new ATOM 0 HB2 PRO A 33 -9.501 -7.377 -3.342 1.00 3.51 H new ATOM 0 HB3 PRO A 33 -10.456 -5.938 -3.042 1.00 3.51 H new ATOM 0 HG2 PRO A 33 -10.300 -7.623 -5.533 1.00 72.25 H new ATOM 0 HG3 PRO A 33 -11.703 -6.876 -4.795 1.00 72.25 H new ATOM 0 HD2 PRO A 33 -10.496 -5.778 -6.975 1.00 54.21 H new ATOM 0 HD3 PRO A 33 -11.263 -4.776 -5.759 1.00 54.21 H new ATOM 527 N LEU A 34 -6.264 -5.746 -4.007 1.00 53.12 N ATOM 528 CA LEU A 34 -4.887 -6.223 -4.127 1.00 14.24 C ATOM 529 C LEU A 34 -4.657 -7.539 -3.351 1.00 54.34 C ATOM 530 O LEU A 34 -4.062 -8.470 -3.897 1.00 53.50 O ATOM 531 CB LEU A 34 -3.949 -5.097 -3.616 1.00 74.40 C ATOM 532 CG LEU A 34 -4.214 -3.667 -4.213 1.00 14.14 C ATOM 533 CD1 LEU A 34 -3.448 -2.579 -3.436 1.00 33.33 C ATOM 534 CD2 LEU A 34 -3.897 -3.601 -5.733 1.00 23.10 C ATOM 0 H LEU A 34 -6.321 -4.847 -3.529 1.00 53.12 H new ATOM 0 HA LEU A 34 -4.672 -6.451 -5.171 1.00 14.24 H new ATOM 0 HB2 LEU A 34 -4.037 -5.040 -2.531 1.00 74.40 H new ATOM 0 HB3 LEU A 34 -2.919 -5.378 -3.838 1.00 74.40 H new ATOM 0 HG LEU A 34 -5.280 -3.470 -4.098 1.00 14.14 H new ATOM 0 HD11 LEU A 34 -3.655 -1.604 -3.876 1.00 33.33 H new ATOM 0 HD12 LEU A 34 -3.768 -2.582 -2.394 1.00 33.33 H new ATOM 0 HD13 LEU A 34 -2.378 -2.781 -3.487 1.00 33.33 H new ATOM 0 HD21 LEU A 34 -4.095 -2.595 -6.103 1.00 23.10 H new ATOM 0 HD22 LEU A 34 -2.848 -3.848 -5.897 1.00 23.10 H new ATOM 0 HD23 LEU A 34 -4.526 -4.314 -6.267 1.00 23.10 H new ATOM 546 N LEU A 35 -5.129 -7.607 -2.081 1.00 41.10 N ATOM 547 CA LEU A 35 -5.067 -8.855 -1.250 1.00 13.10 C ATOM 548 C LEU A 35 -5.793 -10.006 -1.955 1.00 2.31 C ATOM 549 O LEU A 35 -5.308 -11.143 -1.992 1.00 23.22 O ATOM 550 CB LEU A 35 -5.711 -8.654 0.161 1.00 74.24 C ATOM 551 CG LEU A 35 -4.860 -7.932 1.256 1.00 73.53 C ATOM 552 CD1 LEU A 35 -3.612 -8.752 1.678 1.00 12.54 C ATOM 553 CD2 LEU A 35 -4.483 -6.506 0.832 1.00 11.52 C ATOM 0 H LEU A 35 -5.559 -6.816 -1.602 1.00 41.10 H new ATOM 0 HA LEU A 35 -4.011 -9.093 -1.123 1.00 13.10 H new ATOM 0 HB2 LEU A 35 -6.635 -8.091 0.030 1.00 74.24 H new ATOM 0 HB3 LEU A 35 -5.988 -9.636 0.545 1.00 74.24 H new ATOM 0 HG LEU A 35 -5.494 -7.855 2.139 1.00 73.53 H new ATOM 0 HD11 LEU A 35 -3.057 -8.204 2.440 1.00 12.54 H new ATOM 0 HD12 LEU A 35 -3.928 -9.714 2.080 1.00 12.54 H new ATOM 0 HD13 LEU A 35 -2.973 -8.914 0.810 1.00 12.54 H new ATOM 0 HD21 LEU A 35 -3.892 -6.037 1.619 1.00 11.52 H new ATOM 0 HD22 LEU A 35 -3.899 -6.542 -0.088 1.00 11.52 H new ATOM 0 HD23 LEU A 35 -5.390 -5.925 0.664 1.00 11.52 H new ATOM 565 N GLU A 36 -6.957 -9.666 -2.521 1.00 64.13 N ATOM 566 CA GLU A 36 -7.864 -10.630 -3.147 1.00 74.11 C ATOM 567 C GLU A 36 -7.259 -11.204 -4.440 1.00 73.21 C ATOM 568 O GLU A 36 -7.515 -12.357 -4.797 1.00 53.25 O ATOM 569 CB GLU A 36 -9.214 -9.942 -3.443 1.00 1.40 C ATOM 570 CG GLU A 36 -10.368 -10.875 -3.844 1.00 21.54 C ATOM 571 CD GLU A 36 -10.778 -11.851 -2.723 1.00 13.35 C ATOM 572 OE1 GLU A 36 -11.624 -11.480 -1.881 1.00 0.10 O ATOM 573 OE2 GLU A 36 -10.248 -12.980 -2.667 1.00 42.04 O ATOM 0 H GLU A 36 -7.297 -8.705 -2.557 1.00 64.13 H new ATOM 0 HA GLU A 36 -8.021 -11.461 -2.460 1.00 74.11 H new ATOM 0 HB2 GLU A 36 -9.516 -9.381 -2.558 1.00 1.40 H new ATOM 0 HB3 GLU A 36 -9.063 -9.217 -4.243 1.00 1.40 H new ATOM 0 HG2 GLU A 36 -11.232 -10.273 -4.127 1.00 21.54 H new ATOM 0 HG3 GLU A 36 -10.075 -11.446 -4.725 1.00 21.54 H new ATOM 580 N TRP A 37 -6.446 -10.385 -5.126 1.00 23.11 N ATOM 581 CA TRP A 37 -5.774 -10.789 -6.384 1.00 42.10 C ATOM 582 C TRP A 37 -4.357 -11.331 -6.115 1.00 15.15 C ATOM 583 O TRP A 37 -3.612 -11.601 -7.056 1.00 63.24 O ATOM 584 CB TRP A 37 -5.760 -9.595 -7.377 1.00 73.51 C ATOM 585 CG TRP A 37 -7.116 -9.299 -8.001 1.00 64.35 C ATOM 586 CD1 TRP A 37 -8.302 -9.069 -7.353 1.00 23.40 C ATOM 587 CD2 TRP A 37 -7.417 -9.202 -9.402 1.00 35.05 C ATOM 588 NE1 TRP A 37 -9.299 -8.832 -8.251 1.00 4.34 N ATOM 589 CE2 TRP A 37 -8.788 -8.902 -9.516 1.00 42.41 C ATOM 590 CE3 TRP A 37 -6.660 -9.328 -10.565 1.00 43.52 C ATOM 591 CZ2 TRP A 37 -9.417 -8.739 -10.744 1.00 41.45 C ATOM 592 CZ3 TRP A 37 -7.286 -9.165 -11.785 1.00 54.01 C ATOM 593 CH2 TRP A 37 -8.650 -8.862 -11.867 1.00 1.23 C ATOM 0 H TRP A 37 -6.233 -9.431 -4.833 1.00 23.11 H new ATOM 0 HA TRP A 37 -6.336 -11.605 -6.838 1.00 42.10 H new ATOM 0 HB2 TRP A 37 -5.408 -8.705 -6.855 1.00 73.51 H new ATOM 0 HB3 TRP A 37 -5.043 -9.803 -8.171 1.00 73.51 H new ATOM 0 HD1 TRP A 37 -8.428 -9.075 -6.280 1.00 23.40 H new ATOM 0 HE1 TRP A 37 -10.272 -8.634 -8.016 1.00 4.34 H new ATOM 0 HE3 TRP A 37 -5.604 -9.549 -10.513 1.00 43.52 H new ATOM 0 HZ2 TRP A 37 -10.473 -8.523 -10.808 1.00 41.45 H new ATOM 0 HZ3 TRP A 37 -6.712 -9.273 -12.693 1.00 54.01 H new ATOM 0 HH2 TRP A 37 -9.104 -8.723 -12.837 1.00 1.23 H new ATOM 604 N GLY A 38 -4.008 -11.509 -4.825 1.00 61.30 N ATOM 605 CA GLY A 38 -2.711 -12.076 -4.430 1.00 41.41 C ATOM 606 C GLY A 38 -1.518 -11.166 -4.742 1.00 23.44 C ATOM 607 O GLY A 38 -0.374 -11.629 -4.780 1.00 24.44 O ATOM 0 H GLY A 38 -4.611 -11.266 -4.039 1.00 61.30 H new ATOM 0 HA2 GLY A 38 -2.727 -12.285 -3.360 1.00 41.41 H new ATOM 0 HA3 GLY A 38 -2.572 -13.030 -4.939 1.00 41.41 H new ATOM 611 N ILE A 39 -1.803 -9.866 -4.952 1.00 15.42 N ATOM 612 CA ILE A 39 -0.803 -8.825 -5.225 1.00 31.04 C ATOM 613 C ILE A 39 -0.071 -8.488 -3.915 1.00 62.24 C ATOM 614 O ILE A 39 1.113 -8.151 -3.920 1.00 53.30 O ATOM 615 CB ILE A 39 -1.510 -7.540 -5.837 1.00 23.31 C ATOM 616 CG1 ILE A 39 -2.269 -7.897 -7.171 1.00 73.24 C ATOM 617 CG2 ILE A 39 -0.515 -6.375 -6.055 1.00 61.55 C ATOM 618 CD1 ILE A 39 -3.067 -6.754 -7.793 1.00 11.41 C ATOM 0 H ILE A 39 -2.757 -9.506 -4.935 1.00 15.42 H new ATOM 0 HA ILE A 39 -0.076 -9.182 -5.955 1.00 31.04 H new ATOM 0 HB ILE A 39 -2.244 -7.198 -5.107 1.00 23.31 H new ATOM 0 HG12 ILE A 39 -1.540 -8.249 -7.901 1.00 73.24 H new ATOM 0 HG13 ILE A 39 -2.948 -8.726 -6.973 1.00 73.24 H new ATOM 0 HG21 ILE A 39 -1.043 -5.519 -6.475 1.00 61.55 H new ATOM 0 HG22 ILE A 39 -0.069 -6.094 -5.101 1.00 61.55 H new ATOM 0 HG23 ILE A 39 0.269 -6.690 -6.743 1.00 61.55 H new ATOM 0 HD11 ILE A 39 -3.551 -7.102 -8.705 1.00 11.41 H new ATOM 0 HD12 ILE A 39 -3.825 -6.413 -7.088 1.00 11.41 H new ATOM 0 HD13 ILE A 39 -2.396 -5.929 -8.031 1.00 11.41 H new ATOM 630 N LEU A 40 -0.818 -8.593 -2.793 1.00 72.41 N ATOM 631 CA LEU A 40 -0.296 -8.400 -1.429 1.00 63.43 C ATOM 632 C LEU A 40 -0.600 -9.646 -0.584 1.00 13.42 C ATOM 633 O LEU A 40 -1.716 -10.177 -0.667 1.00 65.42 O ATOM 634 CB LEU A 40 -0.971 -7.168 -0.776 1.00 1.23 C ATOM 635 CG LEU A 40 -0.925 -5.830 -1.580 1.00 45.42 C ATOM 636 CD1 LEU A 40 -1.661 -4.701 -0.828 1.00 72.33 C ATOM 637 CD2 LEU A 40 0.520 -5.428 -1.924 1.00 20.12 C ATOM 0 H LEU A 40 -1.813 -8.817 -2.814 1.00 72.41 H new ATOM 0 HA LEU A 40 0.781 -8.240 -1.479 1.00 63.43 H new ATOM 0 HB2 LEU A 40 -2.016 -7.414 -0.586 1.00 1.23 H new ATOM 0 HB3 LEU A 40 -0.502 -6.998 0.193 1.00 1.23 H new ATOM 0 HG LEU A 40 -1.448 -5.995 -2.522 1.00 45.42 H new ATOM 0 HD11 LEU A 40 -1.612 -3.782 -1.412 1.00 72.33 H new ATOM 0 HD12 LEU A 40 -2.704 -4.982 -0.680 1.00 72.33 H new ATOM 0 HD13 LEU A 40 -1.188 -4.540 0.141 1.00 72.33 H new ATOM 0 HD21 LEU A 40 0.514 -4.493 -2.483 1.00 20.12 H new ATOM 0 HD22 LEU A 40 1.090 -5.297 -1.004 1.00 20.12 H new ATOM 0 HD23 LEU A 40 0.981 -6.209 -2.528 1.00 20.12 H new ATOM 649 N ASN A 41 0.396 -10.088 0.219 1.00 51.44 N ATOM 650 CA ASN A 41 0.257 -11.195 1.191 1.00 3.43 C ATOM 651 C ASN A 41 1.586 -11.329 1.962 1.00 41.22 C ATOM 652 O ASN A 41 2.596 -11.680 1.349 1.00 11.35 O ATOM 653 CB ASN A 41 -0.088 -12.556 0.488 1.00 1.31 C ATOM 654 CG ASN A 41 -0.477 -13.703 1.440 1.00 35.34 C ATOM 655 OD1 ASN A 41 -0.053 -13.767 2.593 1.00 34.32 O ATOM 656 ND2 ASN A 41 -1.290 -14.630 0.956 1.00 52.32 N ATOM 0 H ASN A 41 1.331 -9.680 0.209 1.00 51.44 H new ATOM 0 HA ASN A 41 -0.566 -10.965 1.867 1.00 3.43 H new ATOM 0 HB2 ASN A 41 -0.909 -12.389 -0.209 1.00 1.31 H new ATOM 0 HB3 ASN A 41 0.773 -12.871 -0.102 1.00 1.31 H new ATOM 0 HD21 ASN A 41 -1.575 -15.415 1.542 1.00 52.32 H new ATOM 0 HD22 ASN A 41 -1.631 -14.559 -0.003 1.00 52.32 H new ATOM 663 N SER A 42 1.547 -11.021 3.287 1.00 63.14 N ATOM 664 CA SER A 42 2.631 -11.242 4.277 1.00 54.43 C ATOM 665 C SER A 42 4.077 -11.007 3.748 1.00 1.25 C ATOM 666 O SER A 42 4.633 -9.921 3.921 1.00 14.43 O ATOM 667 CB SER A 42 2.493 -12.625 4.946 1.00 64.21 C ATOM 668 OG SER A 42 3.419 -12.733 6.016 1.00 62.25 O ATOM 0 H SER A 42 0.723 -10.594 3.710 1.00 63.14 H new ATOM 0 HA SER A 42 2.489 -10.462 5.025 1.00 54.43 H new ATOM 0 HB2 SER A 42 1.477 -12.761 5.317 1.00 64.21 H new ATOM 0 HB3 SER A 42 2.674 -13.413 4.215 1.00 64.21 H new ATOM 673 N MET A 43 4.641 -12.042 3.093 1.00 60.02 N ATOM 674 CA MET A 43 6.039 -12.105 2.609 1.00 62.33 C ATOM 675 C MET A 43 6.479 -10.828 1.845 1.00 73.50 C ATOM 676 O MET A 43 7.622 -10.403 1.957 1.00 13.03 O ATOM 677 CB MET A 43 6.186 -13.363 1.708 1.00 13.43 C ATOM 678 CG MET A 43 5.294 -13.356 0.432 1.00 42.11 C ATOM 679 SD MET A 43 4.372 -14.894 0.182 1.00 65.44 S ATOM 680 CE MET A 43 3.195 -14.860 1.546 1.00 34.23 C ATOM 0 H MET A 43 4.117 -12.890 2.877 1.00 60.02 H new ATOM 0 HA MET A 43 6.697 -12.170 3.475 1.00 62.33 H new ATOM 0 HB2 MET A 43 7.229 -13.457 1.405 1.00 13.43 H new ATOM 0 HB3 MET A 43 5.945 -14.247 2.299 1.00 13.43 H new ATOM 0 HG2 MET A 43 4.590 -12.527 0.496 1.00 42.11 H new ATOM 0 HG3 MET A 43 5.923 -13.174 -0.439 1.00 42.11 H new ATOM 0 HE1 MET A 43 2.616 -15.783 1.550 1.00 34.23 H new ATOM 0 HE2 MET A 43 3.734 -14.766 2.489 1.00 34.23 H new ATOM 0 HE3 MET A 43 2.523 -14.010 1.426 1.00 34.23 H new ATOM 690 N ASN A 44 5.546 -10.203 1.101 1.00 5.10 N ATOM 691 CA ASN A 44 5.829 -8.988 0.305 1.00 54.44 C ATOM 692 C ASN A 44 5.124 -7.742 0.893 1.00 63.01 C ATOM 693 O ASN A 44 5.458 -6.608 0.539 1.00 2.44 O ATOM 694 CB ASN A 44 5.432 -9.227 -1.178 1.00 43.42 C ATOM 695 CG ASN A 44 3.928 -9.358 -1.431 1.00 1.53 C ATOM 696 OD1 ASN A 44 3.178 -9.802 -0.570 1.00 4.50 O ATOM 697 ND2 ASN A 44 3.479 -8.971 -2.612 1.00 63.21 N ATOM 0 H ASN A 44 4.580 -10.522 1.033 1.00 5.10 H new ATOM 0 HA ASN A 44 6.899 -8.787 0.348 1.00 54.44 H new ATOM 0 HB2 ASN A 44 5.816 -8.403 -1.779 1.00 43.42 H new ATOM 0 HB3 ASN A 44 5.925 -10.134 -1.529 1.00 43.42 H new ATOM 0 HD21 ASN A 44 2.484 -9.038 -2.826 1.00 63.21 H new ATOM 0 HD22 ASN A 44 4.127 -8.605 -3.309 1.00 63.21 H new ATOM 704 N ILE A 45 4.174 -7.971 1.825 1.00 3.20 N ATOM 705 CA ILE A 45 3.385 -6.895 2.474 1.00 14.41 C ATOM 706 C ILE A 45 4.245 -6.130 3.514 1.00 32.11 C ATOM 707 O ILE A 45 3.957 -4.973 3.837 1.00 23.50 O ATOM 708 CB ILE A 45 2.037 -7.467 3.126 1.00 52.34 C ATOM 709 CG1 ILE A 45 0.819 -6.509 2.870 1.00 53.20 C ATOM 710 CG2 ILE A 45 2.176 -7.763 4.654 1.00 41.23 C ATOM 711 CD1 ILE A 45 -0.524 -7.063 3.330 1.00 34.23 C ATOM 0 H ILE A 45 3.930 -8.906 2.151 1.00 3.20 H new ATOM 0 HA ILE A 45 3.089 -6.185 1.702 1.00 14.41 H new ATOM 0 HB ILE A 45 1.848 -8.418 2.627 1.00 52.34 H new ATOM 0 HG12 ILE A 45 1.002 -5.563 3.380 1.00 53.20 H new ATOM 0 HG13 ILE A 45 0.762 -6.290 1.804 1.00 53.20 H new ATOM 0 HG21 ILE A 45 1.231 -8.148 5.038 1.00 41.23 H new ATOM 0 HG22 ILE A 45 2.960 -8.504 4.811 1.00 41.23 H new ATOM 0 HG23 ILE A 45 2.434 -6.844 5.181 1.00 41.23 H new ATOM 0 HD11 ILE A 45 -1.309 -6.338 3.116 1.00 34.23 H new ATOM 0 HD12 ILE A 45 -0.734 -7.993 2.802 1.00 34.23 H new ATOM 0 HD13 ILE A 45 -0.490 -7.255 4.402 1.00 34.23 H new ATOM 723 N VAL A 46 5.315 -6.796 4.017 1.00 14.44 N ATOM 724 CA VAL A 46 6.266 -6.211 4.995 1.00 41.44 C ATOM 725 C VAL A 46 7.107 -5.086 4.345 1.00 64.35 C ATOM 726 O VAL A 46 7.568 -4.154 5.021 1.00 74.35 O ATOM 727 CB VAL A 46 7.205 -7.317 5.616 1.00 23.45 C ATOM 728 CG1 VAL A 46 8.081 -6.748 6.747 1.00 12.31 C ATOM 729 CG2 VAL A 46 6.399 -8.517 6.151 1.00 4.41 C ATOM 0 H VAL A 46 5.543 -7.755 3.755 1.00 14.44 H new ATOM 0 HA VAL A 46 5.679 -5.777 5.804 1.00 41.44 H new ATOM 0 HB VAL A 46 7.850 -7.660 4.807 1.00 23.45 H new ATOM 0 HG11 VAL A 46 8.714 -7.539 7.150 1.00 12.31 H new ATOM 0 HG12 VAL A 46 8.707 -5.947 6.354 1.00 12.31 H new ATOM 0 HG13 VAL A 46 7.443 -6.355 7.539 1.00 12.31 H new ATOM 0 HG21 VAL A 46 7.082 -9.256 6.570 1.00 4.41 H new ATOM 0 HG22 VAL A 46 5.712 -8.177 6.926 1.00 4.41 H new ATOM 0 HG23 VAL A 46 5.833 -8.967 5.336 1.00 4.41 H new ATOM 739 N LYS A 47 7.248 -5.172 3.014 1.00 63.25 N ATOM 740 CA LYS A 47 7.991 -4.183 2.208 1.00 62.12 C ATOM 741 C LYS A 47 7.271 -2.827 2.215 1.00 52.22 C ATOM 742 O LYS A 47 7.912 -1.798 2.056 1.00 11.23 O ATOM 743 CB LYS A 47 8.210 -4.679 0.749 1.00 0.34 C ATOM 744 CG LYS A 47 9.302 -5.757 0.594 1.00 1.14 C ATOM 745 CD LYS A 47 8.973 -7.073 1.333 1.00 2.13 C ATOM 746 CE LYS A 47 10.086 -8.116 1.210 1.00 75.31 C ATOM 747 NZ LYS A 47 11.360 -7.642 1.798 1.00 23.03 N ATOM 0 H LYS A 47 6.850 -5.931 2.461 1.00 63.25 H new ATOM 0 HA LYS A 47 8.973 -4.059 2.665 1.00 62.12 H new ATOM 0 HB2 LYS A 47 7.269 -5.077 0.369 1.00 0.34 H new ATOM 0 HB3 LYS A 47 8.470 -3.825 0.124 1.00 0.34 H new ATOM 0 HG2 LYS A 47 9.445 -5.970 -0.466 1.00 1.14 H new ATOM 0 HG3 LYS A 47 10.246 -5.364 0.970 1.00 1.14 H new ATOM 0 HD2 LYS A 47 8.797 -6.858 2.387 1.00 2.13 H new ATOM 0 HD3 LYS A 47 8.047 -7.487 0.933 1.00 2.13 H new ATOM 0 HE2 LYS A 47 9.777 -9.035 1.707 1.00 75.31 H new ATOM 0 HE3 LYS A 47 10.240 -8.359 0.159 1.00 75.31 H new ATOM 0 HZ1 LYS A 47 12.029 -8.436 1.863 1.00 23.03 H new ATOM 0 HZ2 LYS A 47 11.764 -6.897 1.196 1.00 23.03 H new ATOM 0 HZ3 LYS A 47 11.183 -7.260 2.749 1.00 23.03 H new ATOM 761 N LEU A 48 5.936 -2.854 2.412 1.00 14.32 N ATOM 762 CA LEU A 48 5.101 -1.636 2.511 1.00 64.11 C ATOM 763 C LEU A 48 5.250 -0.984 3.893 1.00 3.22 C ATOM 764 O LEU A 48 5.277 0.240 3.995 1.00 71.22 O ATOM 765 CB LEU A 48 3.598 -1.937 2.223 1.00 62.31 C ATOM 766 CG LEU A 48 3.233 -2.325 0.744 1.00 73.21 C ATOM 767 CD1 LEU A 48 3.743 -1.257 -0.271 1.00 5.42 C ATOM 768 CD2 LEU A 48 3.735 -3.746 0.370 1.00 11.20 C ATOM 0 H LEU A 48 5.406 -3.720 2.507 1.00 14.32 H new ATOM 0 HA LEU A 48 5.456 -0.942 1.749 1.00 64.11 H new ATOM 0 HB2 LEU A 48 3.281 -2.749 2.877 1.00 62.31 H new ATOM 0 HB3 LEU A 48 3.015 -1.059 2.500 1.00 62.31 H new ATOM 0 HG LEU A 48 2.145 -2.346 0.684 1.00 73.21 H new ATOM 0 HD11 LEU A 48 3.473 -1.559 -1.283 1.00 5.42 H new ATOM 0 HD12 LEU A 48 3.286 -0.293 -0.045 1.00 5.42 H new ATOM 0 HD13 LEU A 48 4.827 -1.171 -0.195 1.00 5.42 H new ATOM 0 HD21 LEU A 48 3.460 -3.970 -0.661 1.00 11.20 H new ATOM 0 HD22 LEU A 48 4.819 -3.788 0.473 1.00 11.20 H new ATOM 0 HD23 LEU A 48 3.279 -4.480 1.035 1.00 11.20 H new ATOM 780 N MET A 49 5.374 -1.827 4.938 1.00 61.34 N ATOM 781 CA MET A 49 5.485 -1.372 6.348 1.00 14.23 C ATOM 782 C MET A 49 6.727 -0.476 6.521 1.00 43.55 C ATOM 783 O MET A 49 6.655 0.603 7.120 1.00 45.14 O ATOM 784 CB MET A 49 5.579 -2.585 7.321 1.00 41.31 C ATOM 785 CG MET A 49 4.465 -3.636 7.185 1.00 32.13 C ATOM 786 SD MET A 49 4.750 -5.053 8.279 1.00 2.32 S ATOM 787 CE MET A 49 3.673 -6.308 7.591 1.00 64.03 C ATOM 0 H MET A 49 5.400 -2.841 4.834 1.00 61.34 H new ATOM 0 HA MET A 49 4.588 -0.801 6.588 1.00 14.23 H new ATOM 0 HB2 MET A 49 6.539 -3.078 7.167 1.00 41.31 H new ATOM 0 HB3 MET A 49 5.575 -2.208 8.344 1.00 41.31 H new ATOM 0 HG2 MET A 49 3.503 -3.181 7.421 1.00 32.13 H new ATOM 0 HG3 MET A 49 4.411 -3.978 6.152 1.00 32.13 H new ATOM 0 HE1 MET A 49 3.409 -7.027 8.367 1.00 64.03 H new ATOM 0 HE2 MET A 49 2.767 -5.839 7.207 1.00 64.03 H new ATOM 0 HE3 MET A 49 4.187 -6.823 6.779 1.00 64.03 H new ATOM 797 N VAL A 50 7.858 -0.946 5.963 1.00 12.21 N ATOM 798 CA VAL A 50 9.144 -0.219 5.994 1.00 22.20 C ATOM 799 C VAL A 50 9.170 0.925 4.945 1.00 53.04 C ATOM 800 O VAL A 50 9.813 1.961 5.175 1.00 71.11 O ATOM 801 CB VAL A 50 10.366 -1.199 5.772 1.00 60.21 C ATOM 802 CG1 VAL A 50 10.338 -1.858 4.370 1.00 41.02 C ATOM 803 CG2 VAL A 50 11.729 -0.501 6.024 1.00 11.42 C ATOM 0 H VAL A 50 7.908 -1.841 5.477 1.00 12.21 H new ATOM 0 HA VAL A 50 9.240 0.224 6.985 1.00 22.20 H new ATOM 0 HB VAL A 50 10.258 -1.991 6.513 1.00 60.21 H new ATOM 0 HG11 VAL A 50 11.196 -2.522 4.263 1.00 41.02 H new ATOM 0 HG12 VAL A 50 9.418 -2.432 4.256 1.00 41.02 H new ATOM 0 HG13 VAL A 50 10.380 -1.084 3.603 1.00 41.02 H new ATOM 0 HG21 VAL A 50 12.538 -1.213 5.860 1.00 11.42 H new ATOM 0 HG22 VAL A 50 11.840 0.339 5.338 1.00 11.42 H new ATOM 0 HG23 VAL A 50 11.768 -0.139 7.051 1.00 11.42 H new ATOM 813 N TYR A 51 8.438 0.734 3.813 1.00 20.44 N ATOM 814 CA TYR A 51 8.421 1.706 2.690 1.00 70.42 C ATOM 815 C TYR A 51 7.868 3.038 3.172 1.00 14.32 C ATOM 816 O TYR A 51 8.550 4.036 3.136 1.00 10.24 O ATOM 817 CB TYR A 51 7.561 1.215 1.486 1.00 21.21 C ATOM 818 CG TYR A 51 7.739 2.072 0.209 1.00 35.40 C ATOM 819 CD1 TYR A 51 8.822 1.863 -0.652 1.00 0.40 C ATOM 820 CD2 TYR A 51 6.841 3.093 -0.121 1.00 34.44 C ATOM 821 CE1 TYR A 51 8.994 2.634 -1.790 1.00 53.34 C ATOM 822 CE2 TYR A 51 7.011 3.860 -1.255 1.00 3.12 C ATOM 823 CZ TYR A 51 8.083 3.632 -2.086 1.00 2.32 C ATOM 824 OH TYR A 51 8.245 4.407 -3.214 1.00 43.21 O ATOM 0 H TYR A 51 7.852 -0.086 3.657 1.00 20.44 H new ATOM 0 HA TYR A 51 9.450 1.812 2.348 1.00 70.42 H new ATOM 0 HB2 TYR A 51 7.824 0.182 1.260 1.00 21.21 H new ATOM 0 HB3 TYR A 51 6.510 1.221 1.774 1.00 21.21 H new ATOM 0 HD1 TYR A 51 9.537 1.086 -0.425 1.00 0.40 H new ATOM 0 HD2 TYR A 51 5.997 3.285 0.525 1.00 34.44 H new ATOM 0 HE1 TYR A 51 9.836 2.457 -2.443 1.00 53.34 H new ATOM 0 HE2 TYR A 51 6.302 4.640 -1.490 1.00 3.12 H new ATOM 0 HH TYR A 51 8.097 5.349 -2.988 1.00 43.21 H new ATOM 834 N ILE A 52 6.623 2.985 3.660 1.00 23.33 N ATOM 835 CA ILE A 52 5.828 4.152 4.077 1.00 14.22 C ATOM 836 C ILE A 52 6.474 4.862 5.288 1.00 74.12 C ATOM 837 O ILE A 52 6.380 6.084 5.434 1.00 53.13 O ATOM 838 CB ILE A 52 4.360 3.681 4.397 1.00 45.45 C ATOM 839 CG1 ILE A 52 3.767 2.892 3.176 1.00 51.40 C ATOM 840 CG2 ILE A 52 3.461 4.871 4.759 1.00 13.41 C ATOM 841 CD1 ILE A 52 2.533 2.071 3.482 1.00 34.55 C ATOM 0 H ILE A 52 6.124 2.104 3.780 1.00 23.33 H new ATOM 0 HA ILE A 52 5.798 4.880 3.267 1.00 14.22 H new ATOM 0 HB ILE A 52 4.396 3.018 5.261 1.00 45.45 H new ATOM 0 HG12 ILE A 52 3.525 3.603 2.386 1.00 51.40 H new ATOM 0 HG13 ILE A 52 4.538 2.229 2.783 1.00 51.40 H new ATOM 0 HG21 ILE A 52 2.454 4.514 4.975 1.00 13.41 H new ATOM 0 HG22 ILE A 52 3.863 5.376 5.637 1.00 13.41 H new ATOM 0 HG23 ILE A 52 3.427 5.569 3.923 1.00 13.41 H new ATOM 0 HD11 ILE A 52 2.199 1.564 2.576 1.00 34.55 H new ATOM 0 HD12 ILE A 52 2.769 1.331 4.246 1.00 34.55 H new ATOM 0 HD13 ILE A 52 1.741 2.726 3.844 1.00 34.55 H new ATOM 853 N ARG A 53 7.172 4.067 6.119 1.00 43.45 N ATOM 854 CA ARG A 53 7.916 4.553 7.303 1.00 11.30 C ATOM 855 C ARG A 53 9.143 5.421 6.899 1.00 4.34 C ATOM 856 O ARG A 53 9.578 6.284 7.667 1.00 41.21 O ATOM 857 CB ARG A 53 8.341 3.337 8.162 1.00 12.30 C ATOM 858 CG ARG A 53 9.039 3.684 9.497 1.00 61.22 C ATOM 859 CD ARG A 53 9.483 2.430 10.275 1.00 71.03 C ATOM 860 NE ARG A 53 10.149 2.789 11.539 1.00 13.43 N ATOM 861 CZ ARG A 53 11.473 2.886 11.729 1.00 0.22 C ATOM 862 NH1 ARG A 53 12.331 2.667 10.743 1.00 24.14 N ATOM 863 NH2 ARG A 53 11.936 3.238 12.920 1.00 1.12 N ATOM 0 H ARG A 53 7.238 3.058 5.989 1.00 43.45 H new ATOM 0 HA ARG A 53 7.264 5.200 7.890 1.00 11.30 H new ATOM 0 HB2 ARG A 53 7.456 2.739 8.378 1.00 12.30 H new ATOM 0 HB3 ARG A 53 9.012 2.712 7.572 1.00 12.30 H new ATOM 0 HG2 ARG A 53 9.909 4.310 9.296 1.00 61.22 H new ATOM 0 HG3 ARG A 53 8.360 4.270 10.116 1.00 61.22 H new ATOM 0 HD2 ARG A 53 8.616 1.804 10.484 1.00 71.03 H new ATOM 0 HD3 ARG A 53 10.162 1.839 9.659 1.00 71.03 H new ATOM 0 HE ARG A 53 9.549 2.981 12.342 1.00 13.43 H new ATOM 0 HH11 ARG A 53 11.989 2.419 9.815 1.00 24.14 H new ATOM 0 HH12 ARG A 53 13.334 2.747 10.912 1.00 24.14 H new ATOM 0 HH21 ARG A 53 11.287 3.432 13.682 1.00 1.12 H new ATOM 0 HH22 ARG A 53 12.941 3.314 13.074 1.00 1.12 H new ATOM 877 N ASP A 54 9.691 5.171 5.702 1.00 73.33 N ATOM 878 CA ASP A 54 10.808 5.966 5.121 1.00 30.33 C ATOM 879 C ASP A 54 10.243 7.117 4.255 1.00 42.31 C ATOM 880 O ASP A 54 10.657 8.278 4.368 1.00 51.01 O ATOM 881 CB ASP A 54 11.702 5.027 4.258 1.00 24.04 C ATOM 882 CG ASP A 54 13.003 5.689 3.763 1.00 53.44 C ATOM 883 OD1 ASP A 54 12.998 6.346 2.695 1.00 52.23 O ATOM 884 OD2 ASP A 54 14.043 5.552 4.449 1.00 3.21 O ATOM 0 H ASP A 54 9.378 4.411 5.098 1.00 73.33 H new ATOM 0 HA ASP A 54 11.407 6.401 5.921 1.00 30.33 H new ATOM 0 HB2 ASP A 54 11.955 4.143 4.843 1.00 24.04 H new ATOM 0 HB3 ASP A 54 11.128 4.686 3.396 1.00 24.04 H new ATOM 889 N GLU A 55 9.259 6.738 3.435 1.00 41.35 N ATOM 890 CA GLU A 55 8.622 7.566 2.397 1.00 34.14 C ATOM 891 C GLU A 55 7.928 8.795 2.995 1.00 14.00 C ATOM 892 O GLU A 55 8.219 9.928 2.612 1.00 65.20 O ATOM 893 CB GLU A 55 7.591 6.677 1.644 1.00 54.31 C ATOM 894 CG GLU A 55 6.721 7.368 0.569 1.00 53.44 C ATOM 895 CD GLU A 55 7.490 7.855 -0.665 1.00 40.13 C ATOM 896 OE1 GLU A 55 7.991 9.000 -0.663 1.00 13.45 O ATOM 897 OE2 GLU A 55 7.571 7.101 -1.655 1.00 23.50 O ATOM 0 H GLU A 55 8.862 5.799 3.476 1.00 41.35 H new ATOM 0 HA GLU A 55 9.386 7.937 1.714 1.00 34.14 H new ATOM 0 HB2 GLU A 55 8.133 5.860 1.168 1.00 54.31 H new ATOM 0 HB3 GLU A 55 6.925 6.230 2.383 1.00 54.31 H new ATOM 0 HG2 GLU A 55 5.947 6.672 0.246 1.00 53.44 H new ATOM 0 HG3 GLU A 55 6.215 8.220 1.024 1.00 53.44 H new ATOM 904 N MET A 56 7.009 8.538 3.930 1.00 34.21 N ATOM 905 CA MET A 56 6.133 9.563 4.547 1.00 70.35 C ATOM 906 C MET A 56 6.297 9.589 6.075 1.00 20.52 C ATOM 907 O MET A 56 5.630 10.364 6.758 1.00 52.43 O ATOM 908 CB MET A 56 4.658 9.271 4.139 1.00 31.40 C ATOM 909 CG MET A 56 4.336 9.604 2.670 1.00 51.11 C ATOM 910 SD MET A 56 2.746 8.945 2.123 1.00 22.14 S ATOM 911 CE MET A 56 3.123 7.204 1.888 1.00 72.54 C ATOM 0 H MET A 56 6.843 7.599 4.292 1.00 34.21 H new ATOM 0 HA MET A 56 6.419 10.551 4.185 1.00 70.35 H new ATOM 0 HB2 MET A 56 4.445 8.217 4.317 1.00 31.40 H new ATOM 0 HB3 MET A 56 3.993 9.844 4.785 1.00 31.40 H new ATOM 0 HG2 MET A 56 4.337 10.686 2.541 1.00 51.11 H new ATOM 0 HG3 MET A 56 5.126 9.206 2.033 1.00 51.11 H new ATOM 0 HE1 MET A 56 2.305 6.599 2.279 1.00 72.54 H new ATOM 0 HE2 MET A 56 3.250 7.000 0.825 1.00 72.54 H new ATOM 0 HE3 MET A 56 4.043 6.956 2.418 1.00 72.54 H new ATOM 921 N GLY A 57 7.196 8.735 6.596 1.00 63.11 N ATOM 922 CA GLY A 57 7.462 8.637 8.034 1.00 32.03 C ATOM 923 C GLY A 57 6.411 7.839 8.810 1.00 3.31 C ATOM 924 O GLY A 57 6.464 7.784 10.042 1.00 73.13 O ATOM 0 H GLY A 57 7.755 8.097 6.030 1.00 63.11 H new ATOM 0 HA2 GLY A 57 8.437 8.173 8.182 1.00 32.03 H new ATOM 0 HA3 GLY A 57 7.521 9.642 8.451 1.00 32.03 H new ATOM 928 N VAL A 58 5.480 7.177 8.093 1.00 30.33 N ATOM 929 CA VAL A 58 4.318 6.516 8.717 1.00 32.23 C ATOM 930 C VAL A 58 4.624 5.025 8.911 1.00 44.40 C ATOM 931 O VAL A 58 4.737 4.279 7.933 1.00 53.23 O ATOM 932 CB VAL A 58 3.029 6.684 7.824 1.00 31.30 C ATOM 933 CG1 VAL A 58 1.771 6.098 8.495 1.00 24.54 C ATOM 934 CG2 VAL A 58 2.819 8.152 7.415 1.00 13.44 C ATOM 0 H VAL A 58 5.512 7.087 7.078 1.00 30.33 H new ATOM 0 HA VAL A 58 4.128 6.983 9.683 1.00 32.23 H new ATOM 0 HB VAL A 58 3.196 6.106 6.915 1.00 31.30 H new ATOM 0 HG11 VAL A 58 0.911 6.239 7.841 1.00 24.54 H new ATOM 0 HG12 VAL A 58 1.918 5.033 8.677 1.00 24.54 H new ATOM 0 HG13 VAL A 58 1.593 6.607 9.442 1.00 24.54 H new ATOM 0 HG21 VAL A 58 1.923 8.234 6.800 1.00 13.44 H new ATOM 0 HG22 VAL A 58 2.704 8.766 8.308 1.00 13.44 H new ATOM 0 HG23 VAL A 58 3.682 8.498 6.846 1.00 13.44 H new ATOM 944 N SER A 59 4.719 4.595 10.169 1.00 61.14 N ATOM 945 CA SER A 59 4.972 3.196 10.515 1.00 23.34 C ATOM 946 C SER A 59 3.625 2.471 10.574 1.00 12.41 C ATOM 947 O SER A 59 2.753 2.890 11.347 1.00 0.42 O ATOM 948 CB SER A 59 5.682 3.125 11.886 1.00 22.30 C ATOM 949 OG SER A 59 6.820 3.969 11.919 1.00 20.43 O ATOM 0 H SER A 59 4.623 5.208 10.979 1.00 61.14 H new ATOM 0 HA SER A 59 5.613 2.724 9.770 1.00 23.34 H new ATOM 0 HB2 SER A 59 4.987 3.416 12.674 1.00 22.30 H new ATOM 0 HB3 SER A 59 5.982 2.097 12.090 1.00 22.30 H new ATOM 0 HG SER A 59 7.249 3.906 12.798 1.00 20.43 H new ATOM 955 N ILE A 60 3.428 1.440 9.725 1.00 41.22 N ATOM 956 CA ILE A 60 2.243 0.570 9.805 1.00 3.42 C ATOM 957 C ILE A 60 2.519 -0.539 10.850 1.00 1.15 C ATOM 958 O ILE A 60 3.335 -1.429 10.589 1.00 33.24 O ATOM 959 CB ILE A 60 1.868 -0.107 8.430 1.00 70.44 C ATOM 960 CG1 ILE A 60 1.744 0.931 7.265 1.00 72.40 C ATOM 961 CG2 ILE A 60 0.543 -0.900 8.587 1.00 20.44 C ATOM 962 CD1 ILE A 60 0.494 1.797 7.319 1.00 25.13 C ATOM 0 H ILE A 60 4.076 1.193 8.977 1.00 41.22 H new ATOM 0 HA ILE A 60 1.399 1.198 10.089 1.00 3.42 H new ATOM 0 HB ILE A 60 2.679 -0.785 8.164 1.00 70.44 H new ATOM 0 HG12 ILE A 60 2.620 1.579 7.279 1.00 72.40 H new ATOM 0 HG13 ILE A 60 1.758 0.396 6.316 1.00 72.40 H new ATOM 0 HG21 ILE A 60 0.284 -1.368 7.637 1.00 20.44 H new ATOM 0 HG22 ILE A 60 0.668 -1.670 9.348 1.00 20.44 H new ATOM 0 HG23 ILE A 60 -0.255 -0.220 8.886 1.00 20.44 H new ATOM 0 HD11 ILE A 60 0.492 2.486 6.474 1.00 25.13 H new ATOM 0 HD12 ILE A 60 -0.391 1.162 7.272 1.00 25.13 H new ATOM 0 HD13 ILE A 60 0.484 2.364 8.250 1.00 25.13 H new ATOM 974 N PRO A 61 1.865 -0.487 12.055 1.00 5.15 N ATOM 975 CA PRO A 61 2.024 -1.524 13.098 1.00 40.14 C ATOM 976 C PRO A 61 1.288 -2.824 12.731 1.00 71.15 C ATOM 977 O PRO A 61 0.463 -2.849 11.805 1.00 44.12 O ATOM 978 CB PRO A 61 1.419 -0.850 14.355 1.00 24.41 C ATOM 979 CG PRO A 61 0.410 0.117 13.822 1.00 74.21 C ATOM 980 CD PRO A 61 0.934 0.592 12.490 1.00 12.34 C ATOM 0 HA PRO A 61 3.060 -1.833 13.238 1.00 40.14 H new ATOM 0 HB2 PRO A 61 0.954 -1.585 15.013 1.00 24.41 H new ATOM 0 HB3 PRO A 61 2.186 -0.340 14.938 1.00 24.41 H new ATOM 0 HG2 PRO A 61 -0.563 -0.361 13.708 1.00 74.21 H new ATOM 0 HG3 PRO A 61 0.276 0.954 14.507 1.00 74.21 H new ATOM 0 HD2 PRO A 61 0.126 0.734 11.772 1.00 12.34 H new ATOM 0 HD3 PRO A 61 1.449 1.548 12.583 1.00 12.34 H new ATOM 988 N SER A 62 1.586 -3.888 13.489 1.00 12.41 N ATOM 989 CA SER A 62 1.031 -5.231 13.275 1.00 21.12 C ATOM 990 C SER A 62 -0.501 -5.265 13.480 1.00 0.25 C ATOM 991 O SER A 62 -1.194 -6.075 12.863 1.00 61.11 O ATOM 992 CB SER A 62 1.734 -6.220 14.219 1.00 54.12 C ATOM 993 OG SER A 62 1.611 -5.810 15.572 1.00 2.03 O ATOM 0 H SER A 62 2.229 -3.839 14.279 1.00 12.41 H new ATOM 0 HA SER A 62 1.212 -5.520 12.240 1.00 21.12 H new ATOM 0 HB2 SER A 62 1.303 -7.214 14.096 1.00 54.12 H new ATOM 0 HB3 SER A 62 2.788 -6.295 13.953 1.00 54.12 H new ATOM 0 HG SER A 62 2.065 -6.456 16.152 1.00 2.03 H new ATOM 999 N THR A 63 -1.012 -4.365 14.345 1.00 41.54 N ATOM 1000 CA THR A 63 -2.461 -4.211 14.615 1.00 4.23 C ATOM 1001 C THR A 63 -3.203 -3.504 13.442 1.00 54.51 C ATOM 1002 O THR A 63 -4.438 -3.483 13.396 1.00 20.54 O ATOM 1003 CB THR A 63 -2.677 -3.444 15.970 1.00 54.13 C ATOM 1004 OG1 THR A 63 -4.046 -3.535 16.377 1.00 35.44 O ATOM 1005 CG2 THR A 63 -2.265 -1.960 15.893 1.00 63.42 C ATOM 0 H THR A 63 -0.430 -3.720 14.880 1.00 41.54 H new ATOM 0 HA THR A 63 -2.894 -5.208 14.702 1.00 4.23 H new ATOM 0 HB THR A 63 -2.031 -3.925 16.704 1.00 54.13 H new ATOM 0 HG1 THR A 63 -4.628 -3.403 15.599 1.00 35.44 H new ATOM 0 HG21 THR A 63 -2.437 -1.484 16.858 1.00 63.42 H new ATOM 0 HG22 THR A 63 -1.208 -1.889 15.637 1.00 63.42 H new ATOM 0 HG23 THR A 63 -2.858 -1.457 15.129 1.00 63.42 H new ATOM 1013 N HIS A 64 -2.435 -2.926 12.495 1.00 23.44 N ATOM 1014 CA HIS A 64 -2.973 -2.290 11.268 1.00 54.43 C ATOM 1015 C HIS A 64 -2.743 -3.159 10.027 1.00 22.14 C ATOM 1016 O HIS A 64 -3.169 -2.784 8.924 1.00 32.40 O ATOM 1017 CB HIS A 64 -2.388 -0.862 11.091 1.00 54.22 C ATOM 1018 CG HIS A 64 -3.094 0.172 11.930 1.00 20.24 C ATOM 1019 ND1 HIS A 64 -2.823 0.385 13.263 1.00 5.31 N ATOM 1020 CD2 HIS A 64 -4.094 1.027 11.618 1.00 53.31 C ATOM 1021 CE1 HIS A 64 -3.622 1.317 13.730 1.00 3.41 C ATOM 1022 NE2 HIS A 64 -4.400 1.727 12.752 1.00 21.42 N ATOM 0 H HIS A 64 -1.418 -2.886 12.558 1.00 23.44 H new ATOM 0 HA HIS A 64 -4.053 -2.197 11.385 1.00 54.43 H new ATOM 0 HB2 HIS A 64 -1.330 -0.874 11.353 1.00 54.22 H new ATOM 0 HB3 HIS A 64 -2.453 -0.576 10.041 1.00 54.22 H new ATOM 0 HD2 HIS A 64 -4.564 1.137 10.652 1.00 53.31 H new ATOM 0 HE1 HIS A 64 -3.638 1.685 14.745 1.00 3.41 H new ATOM 0 HE2 HIS A 64 -5.116 2.450 12.827 1.00 21.42 H new ATOM 1031 N ILE A 65 -2.100 -4.331 10.200 1.00 70.31 N ATOM 1032 CA ILE A 65 -1.913 -5.277 9.092 1.00 22.44 C ATOM 1033 C ILE A 65 -3.177 -6.110 8.951 1.00 32.02 C ATOM 1034 O ILE A 65 -3.378 -7.119 9.651 1.00 3.04 O ATOM 1035 CB ILE A 65 -0.678 -6.218 9.273 1.00 70.52 C ATOM 1036 CG1 ILE A 65 0.597 -5.396 9.595 1.00 53.53 C ATOM 1037 CG2 ILE A 65 -0.463 -7.119 8.019 1.00 11.31 C ATOM 1038 CD1 ILE A 65 0.918 -4.337 8.574 1.00 21.43 C ATOM 0 H ILE A 65 -1.706 -4.639 11.089 1.00 70.31 H new ATOM 0 HA ILE A 65 -1.718 -4.692 8.193 1.00 22.44 H new ATOM 0 HB ILE A 65 -0.880 -6.876 10.119 1.00 70.52 H new ATOM 0 HG12 ILE A 65 0.475 -4.922 10.569 1.00 53.53 H new ATOM 0 HG13 ILE A 65 1.445 -6.077 9.676 1.00 53.53 H new ATOM 0 HG21 ILE A 65 0.403 -7.761 8.177 1.00 11.31 H new ATOM 0 HG22 ILE A 65 -1.347 -7.735 7.858 1.00 11.31 H new ATOM 0 HG23 ILE A 65 -0.294 -6.491 7.144 1.00 11.31 H new ATOM 0 HD11 ILE A 65 1.823 -3.807 8.872 1.00 21.43 H new ATOM 0 HD12 ILE A 65 1.074 -4.804 7.602 1.00 21.43 H new ATOM 0 HD13 ILE A 65 0.089 -3.632 8.508 1.00 21.43 H new ATOM 1050 N THR A 66 -4.042 -5.641 8.074 1.00 54.22 N ATOM 1051 CA THR A 66 -5.274 -6.308 7.750 1.00 20.42 C ATOM 1052 C THR A 66 -5.642 -5.963 6.308 1.00 1.34 C ATOM 1053 O THR A 66 -5.278 -4.892 5.803 1.00 31.05 O ATOM 1054 CB THR A 66 -6.424 -5.921 8.737 1.00 11.53 C ATOM 1055 OG1 THR A 66 -7.624 -6.622 8.398 1.00 31.25 O ATOM 1056 CG2 THR A 66 -6.697 -4.414 8.751 1.00 22.45 C ATOM 0 H THR A 66 -3.900 -4.771 7.561 1.00 54.22 H new ATOM 0 HA THR A 66 -5.137 -7.385 7.851 1.00 20.42 H new ATOM 0 HB THR A 66 -6.096 -6.208 9.736 1.00 11.53 H new ATOM 0 HG1 THR A 66 -8.336 -6.373 9.024 1.00 31.25 H new ATOM 0 HG21 THR A 66 -7.503 -4.197 9.451 1.00 22.45 H new ATOM 0 HG22 THR A 66 -5.796 -3.884 9.059 1.00 22.45 H new ATOM 0 HG23 THR A 66 -6.986 -4.087 7.752 1.00 22.45 H new ATOM 1064 N GLY A 67 -6.349 -6.892 5.659 1.00 23.21 N ATOM 1065 CA GLY A 67 -6.786 -6.729 4.288 1.00 54.52 C ATOM 1066 C GLY A 67 -7.664 -5.507 4.085 1.00 11.34 C ATOM 1067 O GLY A 67 -7.548 -4.852 3.074 1.00 11.32 O ATOM 0 H GLY A 67 -6.630 -7.778 6.079 1.00 23.21 H new ATOM 0 HA2 GLY A 67 -5.912 -6.653 3.641 1.00 54.52 H new ATOM 0 HA3 GLY A 67 -7.335 -7.619 3.979 1.00 54.52 H new ATOM 1071 N LYS A 68 -8.496 -5.182 5.095 1.00 2.02 N ATOM 1072 CA LYS A 68 -9.438 -4.043 5.050 1.00 31.32 C ATOM 1073 C LYS A 68 -8.727 -2.678 4.842 1.00 5.21 C ATOM 1074 O LYS A 68 -9.232 -1.810 4.114 1.00 12.40 O ATOM 1075 CB LYS A 68 -10.294 -4.041 6.336 1.00 54.40 C ATOM 1076 CG LYS A 68 -11.287 -2.862 6.467 1.00 63.22 C ATOM 1077 CD LYS A 68 -12.369 -3.122 7.544 1.00 53.24 C ATOM 1078 CE LYS A 68 -11.794 -3.421 8.941 1.00 22.34 C ATOM 1079 NZ LYS A 68 -12.852 -3.842 9.894 1.00 62.51 N ATOM 0 H LYS A 68 -8.534 -5.705 5.970 1.00 2.02 H new ATOM 0 HA LYS A 68 -10.083 -4.174 4.181 1.00 31.32 H new ATOM 0 HB2 LYS A 68 -10.856 -4.974 6.380 1.00 54.40 H new ATOM 0 HB3 LYS A 68 -9.626 -4.030 7.197 1.00 54.40 H new ATOM 0 HG2 LYS A 68 -10.739 -1.954 6.718 1.00 63.22 H new ATOM 0 HG3 LYS A 68 -11.769 -2.687 5.505 1.00 63.22 H new ATOM 0 HD2 LYS A 68 -13.021 -2.251 7.608 1.00 53.24 H new ATOM 0 HD3 LYS A 68 -12.988 -3.962 7.229 1.00 53.24 H new ATOM 0 HE2 LYS A 68 -11.041 -4.205 8.864 1.00 22.34 H new ATOM 0 HE3 LYS A 68 -11.291 -2.533 9.325 1.00 22.34 H new ATOM 0 HZ1 LYS A 68 -12.426 -4.034 10.823 1.00 62.51 H new ATOM 0 HZ2 LYS A 68 -13.557 -3.083 9.987 1.00 62.51 H new ATOM 0 HZ3 LYS A 68 -13.315 -4.704 9.540 1.00 62.51 H new ATOM 1093 N TYR A 69 -7.559 -2.506 5.472 1.00 20.10 N ATOM 1094 CA TYR A 69 -6.760 -1.263 5.347 1.00 31.40 C ATOM 1095 C TYR A 69 -5.902 -1.258 4.083 1.00 15.42 C ATOM 1096 O TYR A 69 -5.599 -0.191 3.536 1.00 72.51 O ATOM 1097 CB TYR A 69 -5.888 -1.043 6.614 1.00 55.23 C ATOM 1098 CG TYR A 69 -6.702 -0.552 7.833 1.00 70.44 C ATOM 1099 CD1 TYR A 69 -7.743 0.370 7.665 1.00 24.44 C ATOM 1100 CD2 TYR A 69 -6.447 -1.000 9.130 1.00 34.45 C ATOM 1101 CE1 TYR A 69 -8.485 0.819 8.727 1.00 32.23 C ATOM 1102 CE2 TYR A 69 -7.200 -0.551 10.199 1.00 72.13 C ATOM 1103 CZ TYR A 69 -8.219 0.360 9.987 1.00 2.30 C ATOM 1104 OH TYR A 69 -8.982 0.813 11.043 1.00 43.02 O ATOM 0 H TYR A 69 -7.138 -3.210 6.078 1.00 20.10 H new ATOM 0 HA TYR A 69 -7.460 -0.432 5.260 1.00 31.40 H new ATOM 0 HB2 TYR A 69 -5.389 -1.977 6.871 1.00 55.23 H new ATOM 0 HB3 TYR A 69 -5.108 -0.316 6.389 1.00 55.23 H new ATOM 0 HD1 TYR A 69 -7.967 0.736 6.674 1.00 24.44 H new ATOM 0 HD2 TYR A 69 -5.650 -1.708 9.301 1.00 34.45 H new ATOM 0 HE1 TYR A 69 -9.278 1.534 8.568 1.00 32.23 H new ATOM 0 HE2 TYR A 69 -6.993 -0.910 11.196 1.00 72.13 H new ATOM 0 HH TYR A 69 -8.672 0.395 11.873 1.00 43.02 H new ATOM 1114 N PHE A 70 -5.527 -2.454 3.621 1.00 2.11 N ATOM 1115 CA PHE A 70 -4.656 -2.636 2.445 1.00 34.44 C ATOM 1116 C PHE A 70 -5.441 -3.070 1.190 1.00 74.14 C ATOM 1117 O PHE A 70 -4.795 -3.394 0.181 1.00 31.14 O ATOM 1118 CB PHE A 70 -3.534 -3.671 2.775 1.00 5.31 C ATOM 1119 CG PHE A 70 -2.406 -3.147 3.680 1.00 21.21 C ATOM 1120 CD1 PHE A 70 -2.515 -3.178 5.072 1.00 53.33 C ATOM 1121 CD2 PHE A 70 -1.225 -2.641 3.122 1.00 33.41 C ATOM 1122 CE1 PHE A 70 -1.490 -2.710 5.870 1.00 3.21 C ATOM 1123 CE2 PHE A 70 -0.201 -2.175 3.923 1.00 23.00 C ATOM 1124 CZ PHE A 70 -0.330 -2.216 5.293 1.00 31.31 C ATOM 0 H PHE A 70 -5.818 -3.332 4.051 1.00 2.11 H new ATOM 0 HA PHE A 70 -4.207 -1.670 2.215 1.00 34.44 H new ATOM 0 HB2 PHE A 70 -3.990 -4.537 3.254 1.00 5.31 H new ATOM 0 HB3 PHE A 70 -3.096 -4.019 1.839 1.00 5.31 H new ATOM 0 HD1 PHE A 70 -3.411 -3.572 5.529 1.00 53.33 H new ATOM 0 HD2 PHE A 70 -1.113 -2.615 2.048 1.00 33.41 H new ATOM 0 HE1 PHE A 70 -1.592 -2.729 6.945 1.00 3.21 H new ATOM 0 HE2 PHE A 70 0.699 -1.779 3.476 1.00 23.00 H new ATOM 0 HZ PHE A 70 0.475 -1.862 5.920 1.00 31.31 H new ATOM 1134 N LYS A 71 -6.814 -3.041 1.244 1.00 34.42 N ATOM 1135 CA LYS A 71 -7.698 -3.621 0.175 1.00 11.33 C ATOM 1136 C LYS A 71 -7.256 -3.197 -1.209 1.00 70.13 C ATOM 1137 O LYS A 71 -7.026 -4.021 -2.064 1.00 3.31 O ATOM 1138 CB LYS A 71 -9.202 -3.222 0.346 1.00 14.21 C ATOM 1139 CG LYS A 71 -9.964 -3.999 1.424 1.00 23.34 C ATOM 1140 CD LYS A 71 -11.453 -3.616 1.502 1.00 2.14 C ATOM 1141 CE LYS A 71 -11.690 -2.161 1.933 1.00 60.42 C ATOM 1142 NZ LYS A 71 -13.128 -1.807 1.848 1.00 52.01 N ATOM 0 H LYS A 71 -7.331 -2.622 2.017 1.00 34.42 H new ATOM 0 HA LYS A 71 -7.603 -4.701 0.286 1.00 11.33 H new ATOM 0 HB2 LYS A 71 -9.255 -2.159 0.581 1.00 14.21 H new ATOM 0 HB3 LYS A 71 -9.710 -3.363 -0.608 1.00 14.21 H new ATOM 0 HG2 LYS A 71 -9.879 -5.067 1.223 1.00 23.34 H new ATOM 0 HG3 LYS A 71 -9.497 -3.819 2.392 1.00 23.34 H new ATOM 0 HD2 LYS A 71 -11.913 -3.777 0.527 1.00 2.14 H new ATOM 0 HD3 LYS A 71 -11.955 -4.281 2.205 1.00 2.14 H new ATOM 0 HE2 LYS A 71 -11.337 -2.019 2.954 1.00 60.42 H new ATOM 0 HE3 LYS A 71 -11.109 -1.491 1.299 1.00 60.42 H new ATOM 0 HZ1 LYS A 71 -13.260 -0.819 2.145 1.00 52.01 H new ATOM 0 HZ2 LYS A 71 -13.456 -1.921 0.868 1.00 52.01 H new ATOM 0 HZ3 LYS A 71 -13.677 -2.432 2.472 1.00 52.01 H new ATOM 1156 N ASP A 72 -7.108 -1.892 -1.371 1.00 3.52 N ATOM 1157 CA ASP A 72 -6.764 -1.261 -2.642 1.00 74.02 C ATOM 1158 C ASP A 72 -6.103 0.086 -2.350 1.00 53.15 C ATOM 1159 O ASP A 72 -5.878 0.427 -1.187 1.00 54.33 O ATOM 1160 CB ASP A 72 -8.024 -1.131 -3.536 1.00 2.44 C ATOM 1161 CG ASP A 72 -9.132 -0.296 -2.882 1.00 32.30 C ATOM 1162 OD1 ASP A 72 -9.927 -0.844 -2.094 1.00 34.01 O ATOM 1163 OD2 ASP A 72 -9.207 0.914 -3.142 1.00 42.32 O ATOM 0 H ASP A 72 -7.225 -1.225 -0.608 1.00 3.52 H new ATOM 0 HA ASP A 72 -6.056 -1.874 -3.200 1.00 74.02 H new ATOM 0 HB2 ASP A 72 -7.745 -0.676 -4.486 1.00 2.44 H new ATOM 0 HB3 ASP A 72 -8.409 -2.126 -3.760 1.00 2.44 H new ATOM 1168 N LEU A 73 -5.771 0.836 -3.401 1.00 31.52 N ATOM 1169 CA LEU A 73 -5.019 2.095 -3.273 1.00 55.43 C ATOM 1170 C LEU A 73 -5.875 3.221 -2.655 1.00 43.20 C ATOM 1171 O LEU A 73 -5.337 4.089 -1.961 1.00 5.51 O ATOM 1172 CB LEU A 73 -4.459 2.515 -4.642 1.00 3.42 C ATOM 1173 CG LEU A 73 -3.533 3.760 -4.653 1.00 50.53 C ATOM 1174 CD1 LEU A 73 -2.303 3.530 -3.736 1.00 2.40 C ATOM 1175 CD2 LEU A 73 -3.116 4.118 -6.103 1.00 4.24 C ATOM 0 H LEU A 73 -6.012 0.594 -4.362 1.00 31.52 H new ATOM 0 HA LEU A 73 -4.188 1.920 -2.589 1.00 55.43 H new ATOM 0 HB2 LEU A 73 -3.906 1.673 -5.058 1.00 3.42 H new ATOM 0 HB3 LEU A 73 -5.298 2.707 -5.311 1.00 3.42 H new ATOM 0 HG LEU A 73 -4.083 4.612 -4.254 1.00 50.53 H new ATOM 0 HD11 LEU A 73 -1.664 4.413 -3.756 1.00 2.40 H new ATOM 0 HD12 LEU A 73 -2.639 3.348 -2.715 1.00 2.40 H new ATOM 0 HD13 LEU A 73 -1.740 2.667 -4.092 1.00 2.40 H new ATOM 0 HD21 LEU A 73 -2.467 4.994 -6.089 1.00 4.24 H new ATOM 0 HD22 LEU A 73 -2.582 3.277 -6.546 1.00 4.24 H new ATOM 0 HD23 LEU A 73 -4.006 4.335 -6.694 1.00 4.24 H new ATOM 1187 N ASN A 74 -7.201 3.193 -2.896 1.00 41.31 N ATOM 1188 CA ASN A 74 -8.146 4.143 -2.259 1.00 3.15 C ATOM 1189 C ASN A 74 -8.249 3.844 -0.756 1.00 3.54 C ATOM 1190 O ASN A 74 -8.349 4.767 0.052 1.00 32.15 O ATOM 1191 CB ASN A 74 -9.560 4.074 -2.890 1.00 5.32 C ATOM 1192 CG ASN A 74 -9.583 4.351 -4.385 1.00 65.11 C ATOM 1193 OD1 ASN A 74 -9.771 5.487 -4.818 1.00 3.14 O ATOM 1194 ND2 ASN A 74 -9.388 3.324 -5.182 1.00 2.04 N ATOM 0 H ASN A 74 -7.645 2.525 -3.526 1.00 41.31 H new ATOM 0 HA ASN A 74 -7.755 5.147 -2.421 1.00 3.15 H new ATOM 0 HB2 ASN A 74 -9.981 3.085 -2.707 1.00 5.32 H new ATOM 0 HB3 ASN A 74 -10.207 4.793 -2.387 1.00 5.32 H new ATOM 0 HD21 ASN A 74 -9.390 3.456 -6.193 1.00 2.04 H new ATOM 0 HD22 ASN A 74 -9.235 2.395 -4.789 1.00 2.04 H new ATOM 1201 N ALA A 75 -8.226 2.543 -0.408 1.00 72.33 N ATOM 1202 CA ALA A 75 -8.230 2.087 0.995 1.00 3.52 C ATOM 1203 C ALA A 75 -6.943 2.535 1.727 1.00 64.41 C ATOM 1204 O ALA A 75 -7.013 3.123 2.810 1.00 25.15 O ATOM 1205 CB ALA A 75 -8.413 0.559 1.051 1.00 74.22 C ATOM 0 H ALA A 75 -8.204 1.783 -1.087 1.00 72.33 H new ATOM 0 HA ALA A 75 -9.070 2.549 1.513 1.00 3.52 H new ATOM 0 HB1 ALA A 75 -8.415 0.231 2.090 1.00 74.22 H new ATOM 0 HB2 ALA A 75 -9.360 0.289 0.583 1.00 74.22 H new ATOM 0 HB3 ALA A 75 -7.594 0.075 0.519 1.00 74.22 H new ATOM 1211 N ILE A 76 -5.781 2.285 1.082 1.00 60.44 N ATOM 1212 CA ILE A 76 -4.437 2.603 1.628 1.00 74.34 C ATOM 1213 C ILE A 76 -4.233 4.108 1.772 1.00 71.30 C ATOM 1214 O ILE A 76 -3.680 4.537 2.779 1.00 51.21 O ATOM 1215 CB ILE A 76 -3.277 1.967 0.749 1.00 74.44 C ATOM 1216 CG1 ILE A 76 -3.316 0.409 0.865 1.00 1.00 C ATOM 1217 CG2 ILE A 76 -1.865 2.512 1.135 1.00 53.21 C ATOM 1218 CD1 ILE A 76 -2.241 -0.340 0.098 1.00 44.31 C ATOM 0 H ILE A 76 -5.747 1.853 0.159 1.00 60.44 H new ATOM 0 HA ILE A 76 -4.388 2.156 2.621 1.00 74.34 H new ATOM 0 HB ILE A 76 -3.453 2.260 -0.286 1.00 74.44 H new ATOM 0 HG12 ILE A 76 -3.237 0.140 1.918 1.00 1.00 H new ATOM 0 HG13 ILE A 76 -4.290 0.062 0.519 1.00 1.00 H new ATOM 0 HG21 ILE A 76 -1.109 2.044 0.504 1.00 53.21 H new ATOM 0 HG22 ILE A 76 -1.840 3.592 0.991 1.00 53.21 H new ATOM 0 HG23 ILE A 76 -1.659 2.280 2.180 1.00 53.21 H new ATOM 0 HD11 ILE A 76 -2.365 -1.412 0.251 1.00 44.31 H new ATOM 0 HD12 ILE A 76 -2.327 -0.113 -0.965 1.00 44.31 H new ATOM 0 HD13 ILE A 76 -1.258 -0.034 0.456 1.00 44.31 H new ATOM 1230 N SER A 77 -4.707 4.904 0.788 1.00 41.11 N ATOM 1231 CA SER A 77 -4.558 6.374 0.829 1.00 22.03 C ATOM 1232 C SER A 77 -5.298 6.944 2.046 1.00 34.52 C ATOM 1233 O SER A 77 -4.718 7.699 2.824 1.00 21.43 O ATOM 1234 CB SER A 77 -5.054 7.015 -0.484 1.00 11.02 C ATOM 1235 OG SER A 77 -6.387 6.641 -0.769 1.00 40.33 O ATOM 0 H SER A 77 -5.193 4.555 -0.038 1.00 41.11 H new ATOM 0 HA SER A 77 -3.500 6.617 0.929 1.00 22.03 H new ATOM 0 HB2 SER A 77 -4.987 8.100 -0.409 1.00 11.02 H new ATOM 0 HB3 SER A 77 -4.406 6.712 -1.306 1.00 11.02 H new ATOM 0 HG SER A 77 -6.615 5.833 -0.263 1.00 40.33 H new ATOM 1241 N ARG A 78 -6.546 6.509 2.242 1.00 4.22 N ATOM 1242 CA ARG A 78 -7.365 6.952 3.383 1.00 13.34 C ATOM 1243 C ARG A 78 -6.783 6.459 4.723 1.00 50.31 C ATOM 1244 O ARG A 78 -6.840 7.185 5.721 1.00 53.05 O ATOM 1245 CB ARG A 78 -8.831 6.497 3.208 1.00 72.01 C ATOM 1246 CG ARG A 78 -9.534 7.098 1.969 1.00 51.53 C ATOM 1247 CD ARG A 78 -9.529 8.647 1.934 1.00 74.22 C ATOM 1248 NE ARG A 78 -10.037 9.178 0.656 1.00 73.33 N ATOM 1249 CZ ARG A 78 -9.617 10.309 0.063 1.00 30.31 C ATOM 1250 NH1 ARG A 78 -8.676 11.079 0.607 1.00 54.05 N ATOM 1251 NH2 ARG A 78 -10.130 10.640 -1.100 1.00 41.51 N ATOM 0 H ARG A 78 -7.016 5.847 1.624 1.00 4.22 H new ATOM 0 HA ARG A 78 -7.347 8.042 3.406 1.00 13.34 H new ATOM 0 HB2 ARG A 78 -8.857 5.410 3.135 1.00 72.01 H new ATOM 0 HB3 ARG A 78 -9.394 6.770 4.100 1.00 72.01 H new ATOM 0 HG2 ARG A 78 -9.047 6.722 1.069 1.00 51.53 H new ATOM 0 HG3 ARG A 78 -10.566 6.747 1.943 1.00 51.53 H new ATOM 0 HD2 ARG A 78 -10.140 9.029 2.752 1.00 74.22 H new ATOM 0 HD3 ARG A 78 -8.514 9.009 2.098 1.00 74.22 H new ATOM 0 HE ARG A 78 -10.766 8.644 0.183 1.00 73.33 H new ATOM 0 HH11 ARG A 78 -8.254 10.816 1.497 1.00 54.05 H new ATOM 0 HH12 ARG A 78 -8.378 11.932 0.133 1.00 54.05 H new ATOM 0 HH21 ARG A 78 -10.833 10.043 -1.536 1.00 41.51 H new ATOM 0 HH22 ARG A 78 -9.825 11.494 -1.567 1.00 41.51 H new ATOM 1265 N THR A 79 -6.201 5.245 4.722 1.00 45.31 N ATOM 1266 CA THR A 79 -5.586 4.652 5.924 1.00 30.32 C ATOM 1267 C THR A 79 -4.289 5.385 6.301 1.00 61.24 C ATOM 1268 O THR A 79 -4.044 5.666 7.475 1.00 13.45 O ATOM 1269 CB THR A 79 -5.291 3.127 5.734 1.00 41.24 C ATOM 1270 OG1 THR A 79 -6.516 2.447 5.434 1.00 72.11 O ATOM 1271 CG2 THR A 79 -4.653 2.489 6.985 1.00 13.34 C ATOM 0 H THR A 79 -6.144 4.652 3.894 1.00 45.31 H new ATOM 0 HA THR A 79 -6.307 4.764 6.734 1.00 30.32 H new ATOM 0 HB THR A 79 -4.578 3.029 4.915 1.00 41.24 H new ATOM 0 HG1 THR A 79 -6.709 2.527 4.477 1.00 72.11 H new ATOM 0 HG21 THR A 79 -4.469 1.431 6.800 1.00 13.34 H new ATOM 0 HG22 THR A 79 -3.710 2.988 7.207 1.00 13.34 H new ATOM 0 HG23 THR A 79 -5.329 2.597 7.833 1.00 13.34 H new ATOM 1279 N VAL A 80 -3.485 5.732 5.297 1.00 0.12 N ATOM 1280 CA VAL A 80 -2.160 6.323 5.522 1.00 20.25 C ATOM 1281 C VAL A 80 -2.313 7.808 5.924 1.00 3.02 C ATOM 1282 O VAL A 80 -1.478 8.346 6.655 1.00 12.22 O ATOM 1283 CB VAL A 80 -1.223 6.123 4.261 1.00 15.13 C ATOM 1284 CG1 VAL A 80 -1.611 7.027 3.072 1.00 60.43 C ATOM 1285 CG2 VAL A 80 0.257 6.295 4.627 1.00 21.51 C ATOM 0 H VAL A 80 -3.727 5.614 4.313 1.00 0.12 H new ATOM 0 HA VAL A 80 -1.670 5.806 6.347 1.00 20.25 H new ATOM 0 HB VAL A 80 -1.375 5.095 3.931 1.00 15.13 H new ATOM 0 HG11 VAL A 80 -0.932 6.844 2.239 1.00 60.43 H new ATOM 0 HG12 VAL A 80 -2.632 6.804 2.764 1.00 60.43 H new ATOM 0 HG13 VAL A 80 -1.543 8.073 3.372 1.00 60.43 H new ATOM 0 HG21 VAL A 80 0.871 6.151 3.738 1.00 21.51 H new ATOM 0 HG22 VAL A 80 0.420 7.298 5.022 1.00 21.51 H new ATOM 0 HG23 VAL A 80 0.533 5.559 5.382 1.00 21.51 H new ATOM 1295 N GLU A 81 -3.417 8.445 5.466 1.00 42.03 N ATOM 1296 CA GLU A 81 -3.801 9.805 5.884 1.00 15.44 C ATOM 1297 C GLU A 81 -4.370 9.790 7.315 1.00 0.41 C ATOM 1298 O GLU A 81 -4.045 10.681 8.106 1.00 63.32 O ATOM 1299 CB GLU A 81 -4.843 10.420 4.912 1.00 52.13 C ATOM 1300 CG GLU A 81 -4.346 10.695 3.477 1.00 2.51 C ATOM 1301 CD GLU A 81 -5.505 11.066 2.517 1.00 55.21 C ATOM 1302 OE1 GLU A 81 -6.398 10.211 2.292 1.00 32.35 O ATOM 1303 OE2 GLU A 81 -5.557 12.212 2.016 1.00 35.22 O ATOM 0 H GLU A 81 -4.063 8.026 4.797 1.00 42.03 H new ATOM 0 HA GLU A 81 -2.903 10.422 5.862 1.00 15.44 H new ATOM 0 HB2 GLU A 81 -5.700 9.749 4.857 1.00 52.13 H new ATOM 0 HB3 GLU A 81 -5.200 11.358 5.338 1.00 52.13 H new ATOM 0 HG2 GLU A 81 -3.618 11.506 3.496 1.00 2.51 H new ATOM 0 HG3 GLU A 81 -3.830 9.813 3.098 1.00 2.51 H new ATOM 1310 N GLN A 82 -5.206 8.762 7.646 1.00 73.01 N ATOM 1311 CA GLN A 82 -5.889 8.688 8.971 1.00 44.21 C ATOM 1312 C GLN A 82 -4.846 8.535 10.085 1.00 53.40 C ATOM 1313 O GLN A 82 -4.966 9.159 11.127 1.00 54.53 O ATOM 1314 CB GLN A 82 -6.985 7.553 9.040 1.00 41.20 C ATOM 1315 CG GLN A 82 -6.481 6.122 9.366 1.00 50.11 C ATOM 1316 CD GLN A 82 -7.561 5.036 9.371 1.00 5.13 C ATOM 1317 OE1 GLN A 82 -8.576 5.137 8.670 1.00 3.33 O ATOM 1318 NE2 GLN A 82 -7.339 3.976 10.142 1.00 1.32 N ATOM 0 H GLN A 82 -5.420 7.984 7.022 1.00 73.01 H new ATOM 0 HA GLN A 82 -6.429 9.624 9.114 1.00 44.21 H new ATOM 0 HB2 GLN A 82 -7.721 7.835 9.793 1.00 41.20 H new ATOM 0 HB3 GLN A 82 -7.504 7.522 8.082 1.00 41.20 H new ATOM 0 HG2 GLN A 82 -5.717 5.849 8.638 1.00 50.11 H new ATOM 0 HG3 GLN A 82 -5.999 6.138 10.344 1.00 50.11 H new ATOM 0 HE21 GLN A 82 -6.492 3.925 10.707 1.00 1.32 H new ATOM 0 HE22 GLN A 82 -8.016 3.214 10.168 1.00 1.32 H new ATOM 1327 N LEU A 83 -3.782 7.751 9.801 1.00 42.11 N ATOM 1328 CA LEU A 83 -2.682 7.494 10.753 1.00 71.33 C ATOM 1329 C LEU A 83 -1.921 8.779 11.082 1.00 33.34 C ATOM 1330 O LEU A 83 -1.574 9.003 12.234 1.00 1.34 O ATOM 1331 CB LEU A 83 -1.732 6.404 10.196 1.00 13.43 C ATOM 1332 CG LEU A 83 -2.355 4.973 10.082 1.00 74.41 C ATOM 1333 CD1 LEU A 83 -1.418 4.022 9.327 1.00 13.13 C ATOM 1334 CD2 LEU A 83 -2.709 4.397 11.471 1.00 42.31 C ATOM 0 H LEU A 83 -3.663 7.279 8.905 1.00 42.11 H new ATOM 0 HA LEU A 83 -3.114 7.127 11.684 1.00 71.33 H new ATOM 0 HB2 LEU A 83 -1.389 6.713 9.209 1.00 13.43 H new ATOM 0 HB3 LEU A 83 -0.852 6.350 10.837 1.00 13.43 H new ATOM 0 HG LEU A 83 -3.280 5.066 9.513 1.00 74.41 H new ATOM 0 HD11 LEU A 83 -1.876 3.035 9.263 1.00 13.13 H new ATOM 0 HD12 LEU A 83 -1.242 4.406 8.322 1.00 13.13 H new ATOM 0 HD13 LEU A 83 -0.469 3.948 9.859 1.00 13.13 H new ATOM 0 HD21 LEU A 83 -3.139 3.402 11.354 1.00 42.31 H new ATOM 0 HD22 LEU A 83 -1.807 4.333 12.079 1.00 42.31 H new ATOM 0 HD23 LEU A 83 -3.431 5.049 11.962 1.00 42.31 H new ATOM 1346 N LYS A 84 -1.707 9.628 10.061 1.00 33.31 N ATOM 1347 CA LYS A 84 -1.044 10.943 10.234 1.00 71.54 C ATOM 1348 C LYS A 84 -1.968 11.936 10.964 1.00 1.55 C ATOM 1349 O LYS A 84 -1.490 12.818 11.675 1.00 12.03 O ATOM 1350 CB LYS A 84 -0.626 11.529 8.861 1.00 40.34 C ATOM 1351 CG LYS A 84 0.332 10.641 8.047 1.00 54.24 C ATOM 1352 CD LYS A 84 0.746 11.274 6.693 1.00 31.24 C ATOM 1353 CE LYS A 84 -0.453 11.601 5.780 1.00 34.14 C ATOM 1354 NZ LYS A 84 -0.041 12.285 4.525 1.00 33.35 N ATOM 0 H LYS A 84 -1.984 9.429 9.100 1.00 33.31 H new ATOM 0 HA LYS A 84 -0.152 10.787 10.840 1.00 71.54 H new ATOM 0 HB2 LYS A 84 -1.524 11.709 8.270 1.00 40.34 H new ATOM 0 HB3 LYS A 84 -0.152 12.497 9.024 1.00 40.34 H new ATOM 0 HG2 LYS A 84 1.227 10.445 8.638 1.00 54.24 H new ATOM 0 HG3 LYS A 84 -0.144 9.678 7.861 1.00 54.24 H new ATOM 0 HD2 LYS A 84 1.308 12.188 6.884 1.00 31.24 H new ATOM 0 HD3 LYS A 84 1.416 10.591 6.170 1.00 31.24 H new ATOM 0 HE2 LYS A 84 -0.979 10.679 5.532 1.00 34.14 H new ATOM 0 HE3 LYS A 84 -1.156 12.234 6.321 1.00 34.14 H new ATOM 0 HZ1 LYS A 84 -0.882 12.483 3.946 1.00 33.35 H new ATOM 0 HZ2 LYS A 84 0.438 13.178 4.758 1.00 33.35 H new ATOM 0 HZ3 LYS A 84 0.609 11.672 3.993 1.00 33.35 H new ATOM 1368 N ALA A 85 -3.289 11.769 10.776 1.00 70.42 N ATOM 1369 CA ALA A 85 -4.317 12.642 11.379 1.00 35.42 C ATOM 1370 C ALA A 85 -4.514 12.317 12.875 1.00 45.02 C ATOM 1371 O ALA A 85 -4.757 13.216 13.690 1.00 33.23 O ATOM 1372 CB ALA A 85 -5.632 12.484 10.604 1.00 63.44 C ATOM 0 H ALA A 85 -3.677 11.022 10.200 1.00 70.42 H new ATOM 0 HA ALA A 85 -3.986 13.679 11.315 1.00 35.42 H new ATOM 0 HB1 ALA A 85 -6.394 13.126 11.045 1.00 63.44 H new ATOM 0 HB2 ALA A 85 -5.477 12.767 9.563 1.00 63.44 H new ATOM 0 HB3 ALA A 85 -5.960 11.446 10.652 1.00 63.44 H new ATOM 1378 N GLU A 86 -4.411 11.022 13.215 1.00 31.34 N ATOM 1379 CA GLU A 86 -4.513 10.533 14.604 1.00 15.22 C ATOM 1380 C GLU A 86 -3.188 10.767 15.347 1.00 32.14 C ATOM 1381 O GLU A 86 -3.186 11.027 16.548 1.00 10.53 O ATOM 1382 CB GLU A 86 -4.894 9.023 14.608 1.00 44.11 C ATOM 1383 CG GLU A 86 -6.260 8.719 13.956 1.00 64.01 C ATOM 1384 CD GLU A 86 -6.469 7.232 13.594 1.00 3.33 C ATOM 1385 OE1 GLU A 86 -5.593 6.652 12.904 1.00 44.25 O ATOM 1386 OE2 GLU A 86 -7.522 6.653 13.954 1.00 41.01 O ATOM 0 H GLU A 86 -4.254 10.280 12.533 1.00 31.34 H new ATOM 0 HA GLU A 86 -5.295 11.087 15.123 1.00 15.22 H new ATOM 0 HB2 GLU A 86 -4.120 8.462 14.084 1.00 44.11 H new ATOM 0 HB3 GLU A 86 -4.906 8.665 15.637 1.00 44.11 H new ATOM 0 HG2 GLU A 86 -7.053 9.031 14.636 1.00 64.01 H new ATOM 0 HG3 GLU A 86 -6.361 9.320 13.052 1.00 64.01 H new ATOM 1393 N SER A 87 -2.068 10.652 14.615 1.00 72.51 N ATOM 1394 CA SER A 87 -0.711 10.952 15.140 1.00 55.12 C ATOM 1395 C SER A 87 -0.438 12.470 15.178 1.00 3.53 C ATOM 1396 O SER A 87 0.552 12.900 15.793 1.00 45.41 O ATOM 1397 CB SER A 87 0.360 10.217 14.296 1.00 23.34 C ATOM 1398 OG SER A 87 1.660 10.297 14.863 1.00 51.12 O ATOM 0 H SER A 87 -2.070 10.349 13.641 1.00 72.51 H new ATOM 0 HA SER A 87 -0.658 10.591 16.167 1.00 55.12 H new ATOM 0 HB2 SER A 87 0.078 9.169 14.193 1.00 23.34 H new ATOM 0 HB3 SER A 87 0.380 10.642 13.293 1.00 23.34 H new ATOM 0 HG SER A 87 1.708 11.070 15.463 1.00 51.12 H new ATOM 1404 N ALA A 88 -1.299 13.258 14.487 1.00 32.40 N ATOM 1405 CA ALA A 88 -1.201 14.727 14.440 1.00 5.43 C ATOM 1406 C ALA A 88 -1.176 15.320 15.853 1.00 4.44 C ATOM 1407 O ALA A 88 -2.034 15.006 16.691 1.00 51.05 O ATOM 1408 CB ALA A 88 -2.339 15.322 13.605 1.00 71.21 C ATOM 0 H ALA A 88 -2.080 12.886 13.948 1.00 32.40 H new ATOM 0 HA ALA A 88 -0.261 14.990 13.955 1.00 5.43 H new ATOM 0 HB1 ALA A 88 -2.246 16.408 13.585 1.00 71.21 H new ATOM 0 HB2 ALA A 88 -2.285 14.934 12.588 1.00 71.21 H new ATOM 0 HB3 ALA A 88 -3.297 15.048 14.048 1.00 71.21 H new ATOM 1414 N LEU A 89 -0.161 16.145 16.097 1.00 54.32 N ATOM 1415 CA LEU A 89 0.222 16.610 17.436 1.00 53.53 C ATOM 1416 C LEU A 89 -0.168 18.068 17.672 1.00 3.22 C ATOM 1417 O LEU A 89 -0.352 18.481 18.823 1.00 31.21 O ATOM 1418 CB LEU A 89 1.761 16.327 17.715 1.00 51.33 C ATOM 1419 CG LEU A 89 2.905 16.824 16.711 1.00 41.05 C ATOM 1420 CD1 LEU A 89 2.770 16.212 15.291 1.00 4.51 C ATOM 1421 CD2 LEU A 89 3.019 18.373 16.647 1.00 35.13 C ATOM 0 H LEU A 89 0.433 16.519 15.357 1.00 54.32 H new ATOM 0 HA LEU A 89 -0.345 16.033 18.166 1.00 53.53 H new ATOM 0 HB2 LEU A 89 1.989 16.757 18.690 1.00 51.33 H new ATOM 0 HB3 LEU A 89 1.871 15.247 17.809 1.00 51.33 H new ATOM 0 HG LEU A 89 3.838 16.450 17.133 1.00 41.05 H new ATOM 0 HD11 LEU A 89 3.573 16.586 14.656 1.00 4.51 H new ATOM 0 HD12 LEU A 89 2.834 15.126 15.355 1.00 4.51 H new ATOM 0 HD13 LEU A 89 1.808 16.494 14.863 1.00 4.51 H new ATOM 0 HD21 LEU A 89 3.810 18.651 15.951 1.00 35.13 H new ATOM 0 HD22 LEU A 89 2.073 18.794 16.307 1.00 35.13 H new ATOM 0 HD23 LEU A 89 3.254 18.762 17.638 1.00 35.13 H new ATOM 1433 N GLU A 90 -0.276 18.845 16.583 1.00 52.32 N ATOM 1434 CA GLU A 90 -0.691 20.253 16.657 1.00 53.43 C ATOM 1435 C GLU A 90 -2.212 20.352 16.957 1.00 10.52 C ATOM 1436 O GLU A 90 -2.588 21.063 17.919 1.00 45.02 O ATOM 1437 CB GLU A 90 -0.279 21.056 15.385 1.00 21.00 C ATOM 1438 CG GLU A 90 -0.840 20.581 14.020 1.00 45.43 C ATOM 1439 CD GLU A 90 -0.195 19.289 13.481 1.00 52.11 C ATOM 1440 OE1 GLU A 90 0.881 19.369 12.858 1.00 13.44 O ATOM 1441 OE2 GLU A 90 -0.745 18.190 13.692 1.00 33.41 O ATOM 1442 OXT GLU A 90 -3.019 19.677 16.271 1.00 38.15 O ATOM 0 H GLU A 90 -0.080 18.519 15.637 1.00 52.32 H new ATOM 0 HA GLU A 90 -0.158 20.720 17.485 1.00 53.43 H new ATOM 0 HB2 GLU A 90 -0.583 22.093 15.530 1.00 21.00 H new ATOM 0 HB3 GLU A 90 0.809 21.048 15.321 1.00 21.00 H new ATOM 0 HG2 GLU A 90 -1.914 20.423 14.118 1.00 45.43 H new ATOM 0 HG3 GLU A 90 -0.700 21.376 13.287 1.00 45.43 H new TER 1449 GLU A 90 HETATM 1450 P24 4EM A 101 3.254 -13.843 7.126 1.00 12.24 P HETATM 1451 O25 4EM A 101 2.782 -15.079 6.451 1.00 44.31 O HETATM 1452 O26 4EM A 101 4.520 -13.965 7.886 1.00 11.11 O HETATM 1453 O27 4EM A 101 2.081 -13.235 8.024 1.00 72.20 O HETATM 1454 C28 4EM A 101 2.292 -12.429 9.198 1.00 40.24 C HETATM 1455 C29 4EM A 101 1.023 -11.619 9.481 1.00 32.20 C HETATM 1456 C30 4EM A 101 -0.161 -12.592 9.566 1.00 3.05 C HETATM 1457 C31 4EM A 101 0.776 -10.651 8.320 1.00 63.52 C HETATM 1458 C32 4EM A 101 1.163 -10.817 10.783 1.00 24.21 C HETATM 1459 O33 4EM A 101 2.299 -9.942 10.711 1.00 62.23 O HETATM 1460 C34 4EM A 101 -0.101 -9.956 11.004 1.00 21.00 C HETATM 1461 O35 4EM A 101 -0.059 -8.748 10.834 1.00 40.12 O HETATM 1462 N36 4EM A 101 -1.162 -10.590 11.464 1.00 1.02 N HETATM 1463 C37 4EM A 101 -2.471 -9.996 11.655 1.00 63.55 C HETATM 1464 C38 4EM A 101 -3.511 -11.125 11.711 1.00 55.43 C HETATM 1465 C39 4EM A 101 -4.891 -10.634 11.332 1.00 74.24 C HETATM 1466 O40 4EM A 101 -5.780 -10.354 12.141 1.00 54.23 O HETATM 1467 N41 4EM A 101 -4.977 -10.569 9.994 1.00 52.42 N HETATM 1468 C42 4EM A 101 -6.080 -10.157 9.157 1.00 61.41 C HETATM 1469 C43 4EM A 101 -6.206 -11.123 7.962 1.00 2.24 C HETATM 1470 N44 4EM A 101 -5.037 -11.179 7.303 1.00 55.25 N HETATM 1471 C45 4EM A 101 -4.482 -10.149 6.655 1.00 20.12 C HETATM 1472 O46 4EM A 101 -4.994 -9.040 6.543 1.00 74.44 O HETATM 1473 C47 4EM A 101 -3.316 -10.420 6.086 1.00 54.05 C HETATM 1474 C49 4EM A 101 -2.415 -9.514 5.727 1.00 24.41 C HETATM 1475 C51 4EM A 101 -1.350 -10.175 5.276 1.00 43.34 C HETATM 1476 C50 4EM A 101 -1.611 -11.477 5.351 1.00 65.43 C HETATM 1477 N48 4EM A 101 -2.830 -11.633 5.859 1.00 74.40 N