USER MOD reduce.3.24.130724 H: found=0, std=0, add=1006, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 1006 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 85 MET CE :methyl -157:sc= -3.07! (180deg=-4.47!) USER MOD Set 1.2: A 112 MET CE :methyl 152:sc= -2.14 (180deg=-3.8!) USER MOD Set 2.1: A 39 THR OG1 : rot 180:sc= 0.683 USER MOD Set 2.2: A 43 GLN : amide:sc= -1.54! C(o=-0.86!,f=-8.1!) USER MOD Set 3.1: A 7 TYR OH : rot 30:sc= 0.974 USER MOD Set 3.2: A 21 TYR OH : rot 77:sc= 1.15 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 144:sc= 0.0824 (180deg=-0.0413) USER MOD Single : A 2 HIS : no HD1:sc= 1.03 K(o=1,f=-3.4!) USER MOD Single : A 9 GLN : amide:sc= -1.83 K(o=-1.8,f=-4.5!) USER MOD Single : A 11 LYS NZ :NH3+ 173:sc= 0.448 (180deg=0.401) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot -33:sc= -0.925! USER MOD Single : A 29 ASN : amide:sc= -0.294 K(o=-0.29,f=-3!) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= -5.71! C(o=-5.7!,f=-10!) USER MOD Single : A 57 SER OG : rot 94:sc= 1.3 USER MOD Single : A 58 ASN : amide:sc= -5.3! C(o=-5.3!,f=-9.5!) USER MOD Single : A 64 THR OG1 : rot 105:sc= 0.647 USER MOD Single : A 71 GLN : amide:sc= -4.54! C(o=-4.5!,f=-1.7!) USER MOD Single : A 74 THR OG1 : rot 119:sc= -1.19 USER MOD Single : A 89 LYS NZ :NH3+ 153:sc= 1.22 (180deg=0.637) USER MOD Single : A 90 GLN : amide:sc= -4.65! K(o=-4.6!,f=-0.74) USER MOD Single : A 95 SER OG : rot -89:sc= 1.06 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 177:sc= 0.458 (180deg=0.34) USER MOD Single : A 109 HIS : no HE2:sc= -2.36 K(o=-2.4,f=-7.1!) USER MOD Single : A 113 THR OG1 : rot -23:sc= 0.0828 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= -1.05 K(o=-1,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -23.088 -2.260 7.723 1.00 53.43 N ATOM 2 CA MET A 1 -21.691 -2.714 7.906 1.00 1.13 C ATOM 3 C MET A 1 -20.786 -2.063 6.869 1.00 42.24 C ATOM 4 O MET A 1 -21.252 -1.625 5.818 1.00 63.45 O ATOM 5 CB MET A 1 -21.599 -4.239 7.783 1.00 4.03 C ATOM 6 CG MET A 1 -22.015 -4.767 6.419 1.00 73.04 C ATOM 7 SD MET A 1 -21.777 -6.545 6.257 1.00 40.33 S ATOM 8 CE MET A 1 -22.358 -6.798 4.580 1.00 13.33 C ATOM 0 H1 MET A 1 -23.738 -3.044 7.932 1.00 53.43 H new ATOM 0 H2 MET A 1 -23.283 -1.468 8.368 1.00 53.43 H new ATOM 0 H3 MET A 1 -23.226 -1.949 6.740 1.00 53.43 H new ATOM 0 HA MET A 1 -21.365 -2.420 8.904 1.00 1.13 H new ATOM 0 HB2 MET A 1 -20.574 -4.550 7.986 1.00 4.03 H new ATOM 0 HB3 MET A 1 -22.228 -4.695 8.547 1.00 4.03 H new ATOM 0 HG2 MET A 1 -23.064 -4.528 6.247 1.00 73.04 H new ATOM 0 HG3 MET A 1 -21.441 -4.256 5.646 1.00 73.04 H new ATOM 0 HE1 MET A 1 -22.277 -7.854 4.322 1.00 13.33 H new ATOM 0 HE2 MET A 1 -23.399 -6.485 4.505 1.00 13.33 H new ATOM 0 HE3 MET A 1 -21.752 -6.209 3.892 1.00 13.33 H new ATOM 20 N HIS A 2 -19.496 -2.000 7.165 1.00 13.52 N ATOM 21 CA HIS A 2 -18.521 -1.482 6.218 1.00 12.24 C ATOM 22 C HIS A 2 -17.357 -2.458 6.100 1.00 62.31 C ATOM 23 O HIS A 2 -16.398 -2.392 6.868 1.00 32.54 O ATOM 24 CB HIS A 2 -18.016 -0.097 6.645 1.00 2.24 C ATOM 25 CG HIS A 2 -17.194 0.598 5.598 1.00 75.03 C ATOM 26 ND1 HIS A 2 -17.664 1.662 4.866 1.00 41.42 N ATOM 27 CD2 HIS A 2 -15.926 0.379 5.168 1.00 71.33 C ATOM 28 CE1 HIS A 2 -16.727 2.070 4.031 1.00 1.11 C ATOM 29 NE2 HIS A 2 -15.662 1.308 4.191 1.00 61.23 N ATOM 0 H HIS A 2 -19.100 -2.302 8.055 1.00 13.52 H new ATOM 0 HA HIS A 2 -19.003 -1.374 5.246 1.00 12.24 H new ATOM 0 HB2 HIS A 2 -18.872 0.530 6.897 1.00 2.24 H new ATOM 0 HB3 HIS A 2 -17.420 -0.202 7.551 1.00 2.24 H new ATOM 0 HD2 HIS A 2 -15.250 -0.383 5.527 1.00 71.33 H new ATOM 0 HE1 HIS A 2 -16.817 2.890 3.334 1.00 1.11 H new ATOM 0 HE2 HIS A 2 -14.787 1.394 3.674 1.00 61.23 H new ATOM 38 N ASP A 3 -17.467 -3.382 5.160 1.00 53.44 N ATOM 39 CA ASP A 3 -16.430 -4.380 4.951 1.00 33.24 C ATOM 40 C ASP A 3 -15.394 -3.847 3.970 1.00 33.23 C ATOM 41 O ASP A 3 -15.726 -3.031 3.108 1.00 24.21 O ATOM 42 CB ASP A 3 -17.050 -5.680 4.436 1.00 23.15 C ATOM 43 CG ASP A 3 -16.078 -6.843 4.457 1.00 61.23 C ATOM 44 OD1 ASP A 3 -15.915 -7.468 5.527 1.00 23.11 O ATOM 45 OD2 ASP A 3 -15.481 -7.138 3.406 1.00 54.45 O ATOM 0 H ASP A 3 -18.264 -3.462 4.529 1.00 53.44 H new ATOM 0 HA ASP A 3 -15.934 -4.591 5.898 1.00 33.24 H new ATOM 0 HB2 ASP A 3 -17.920 -5.928 5.044 1.00 23.15 H new ATOM 0 HB3 ASP A 3 -17.406 -5.529 3.417 1.00 23.15 H new ATOM 50 N ILE A 4 -14.146 -4.304 4.129 1.00 61.02 N ATOM 51 CA ILE A 4 -12.989 -3.837 3.344 1.00 10.34 C ATOM 52 C ILE A 4 -12.950 -2.305 3.225 1.00 24.24 C ATOM 53 O ILE A 4 -13.502 -1.590 4.061 1.00 51.34 O ATOM 54 CB ILE A 4 -12.894 -4.498 1.933 1.00 41.35 C ATOM 55 CG1 ILE A 4 -14.076 -4.131 1.029 1.00 64.12 C ATOM 56 CG2 ILE A 4 -12.784 -6.010 2.065 1.00 73.01 C ATOM 57 CD1 ILE A 4 -13.978 -4.722 -0.361 1.00 71.22 C ATOM 0 H ILE A 4 -13.905 -5.019 4.815 1.00 61.02 H new ATOM 0 HA ILE A 4 -12.113 -4.159 3.907 1.00 10.34 H new ATOM 0 HB ILE A 4 -11.994 -4.106 1.458 1.00 41.35 H new ATOM 0 HG12 ILE A 4 -15.000 -4.472 1.496 1.00 64.12 H new ATOM 0 HG13 ILE A 4 -14.140 -3.046 0.950 1.00 64.12 H new ATOM 0 HG21 ILE A 4 -12.719 -6.458 1.073 1.00 73.01 H new ATOM 0 HG22 ILE A 4 -11.890 -6.261 2.636 1.00 73.01 H new ATOM 0 HG23 ILE A 4 -13.664 -6.395 2.580 1.00 73.01 H new ATOM 0 HD11 ILE A 4 -14.847 -4.422 -0.946 1.00 71.22 H new ATOM 0 HD12 ILE A 4 -13.071 -4.361 -0.847 1.00 71.22 H new ATOM 0 HD13 ILE A 4 -13.945 -5.809 -0.293 1.00 71.22 H new ATOM 69 N ASP A 5 -12.264 -1.808 2.202 1.00 65.40 N ATOM 70 CA ASP A 5 -12.092 -0.371 2.021 1.00 51.42 C ATOM 71 C ASP A 5 -13.360 0.277 1.467 1.00 0.12 C ATOM 72 O ASP A 5 -13.915 1.185 2.087 1.00 32.40 O ATOM 73 CB ASP A 5 -10.905 -0.099 1.095 1.00 62.33 C ATOM 74 CG ASP A 5 -10.810 1.356 0.682 1.00 44.34 C ATOM 75 OD1 ASP A 5 -10.858 2.233 1.564 1.00 73.51 O ATOM 76 OD2 ASP A 5 -10.693 1.616 -0.530 1.00 35.11 O ATOM 0 H ASP A 5 -11.817 -2.379 1.485 1.00 65.40 H new ATOM 0 HA ASP A 5 -11.893 0.072 2.997 1.00 51.42 H new ATOM 0 HB2 ASP A 5 -9.983 -0.391 1.597 1.00 62.33 H new ATOM 0 HB3 ASP A 5 -10.994 -0.721 0.204 1.00 62.33 H new ATOM 81 N ASP A 6 -13.804 -0.202 0.295 1.00 33.13 N ATOM 82 CA ASP A 6 -15.016 0.300 -0.386 1.00 74.23 C ATOM 83 C ASP A 6 -14.738 1.629 -1.099 1.00 75.34 C ATOM 84 O ASP A 6 -15.568 2.118 -1.865 1.00 23.14 O ATOM 85 CB ASP A 6 -16.193 0.437 0.598 1.00 64.20 C ATOM 86 CG ASP A 6 -17.526 0.702 -0.079 1.00 23.11 C ATOM 87 OD1 ASP A 6 -18.183 -0.272 -0.505 1.00 52.24 O ATOM 88 OD2 ASP A 6 -17.953 1.878 -0.145 1.00 10.44 O ATOM 0 H ASP A 6 -13.333 -0.951 -0.212 1.00 33.13 H new ATOM 0 HA ASP A 6 -15.298 -0.433 -1.142 1.00 74.23 H new ATOM 0 HB2 ASP A 6 -16.270 -0.476 1.188 1.00 64.20 H new ATOM 0 HB3 ASP A 6 -15.981 1.249 1.294 1.00 64.20 H new ATOM 93 N TYR A 7 -13.551 2.181 -0.855 1.00 11.10 N ATOM 94 CA TYR A 7 -13.072 3.400 -1.512 1.00 5.20 C ATOM 95 C TYR A 7 -13.901 4.627 -1.140 1.00 62.31 C ATOM 96 O TYR A 7 -14.957 4.885 -1.718 1.00 34.41 O ATOM 97 CB TYR A 7 -13.023 3.226 -3.035 1.00 51.34 C ATOM 98 CG TYR A 7 -11.970 2.239 -3.488 1.00 21.51 C ATOM 99 CD1 TYR A 7 -10.675 2.659 -3.755 1.00 35.24 C ATOM 100 CD2 TYR A 7 -12.268 0.889 -3.631 1.00 50.41 C ATOM 101 CE1 TYR A 7 -9.705 1.763 -4.157 1.00 32.13 C ATOM 102 CE2 TYR A 7 -11.302 -0.012 -4.030 1.00 2.21 C ATOM 103 CZ TYR A 7 -10.022 0.429 -4.291 1.00 2.01 C ATOM 104 OH TYR A 7 -9.056 -0.467 -4.684 1.00 50.02 O ATOM 0 H TYR A 7 -12.885 1.791 -0.188 1.00 11.10 H new ATOM 0 HA TYR A 7 -12.059 3.571 -1.148 1.00 5.20 H new ATOM 0 HB2 TYR A 7 -13.999 2.894 -3.388 1.00 51.34 H new ATOM 0 HB3 TYR A 7 -12.829 4.193 -3.499 1.00 51.34 H new ATOM 0 HD1 TYR A 7 -10.422 3.703 -3.647 1.00 35.24 H new ATOM 0 HD2 TYR A 7 -13.270 0.540 -3.427 1.00 50.41 H new ATOM 0 HE1 TYR A 7 -8.702 2.106 -4.365 1.00 32.13 H new ATOM 0 HE2 TYR A 7 -11.548 -1.058 -4.137 1.00 2.21 H new ATOM 0 HH TYR A 7 -8.178 -0.157 -4.378 1.00 50.02 H new ATOM 114 N PRO A 8 -13.430 5.395 -0.149 1.00 3.44 N ATOM 115 CA PRO A 8 -14.046 6.657 0.252 1.00 14.34 C ATOM 116 C PRO A 8 -13.401 7.863 -0.438 1.00 21.43 C ATOM 117 O PRO A 8 -13.624 9.009 -0.050 1.00 32.52 O ATOM 118 CB PRO A 8 -13.772 6.688 1.755 1.00 32.31 C ATOM 119 CG PRO A 8 -12.457 5.992 1.923 1.00 53.25 C ATOM 120 CD PRO A 8 -12.273 5.073 0.703 1.00 13.34 C ATOM 0 HA PRO A 8 -15.101 6.715 -0.015 1.00 14.34 H new ATOM 0 HB2 PRO A 8 -13.727 7.712 2.127 1.00 32.31 H new ATOM 0 HB3 PRO A 8 -14.561 6.181 2.311 1.00 32.31 H new ATOM 0 HG2 PRO A 8 -11.644 6.715 1.987 1.00 53.25 H new ATOM 0 HG3 PRO A 8 -12.442 5.414 2.847 1.00 53.25 H new ATOM 0 HD2 PRO A 8 -11.331 5.269 0.191 1.00 13.34 H new ATOM 0 HD3 PRO A 8 -12.267 4.022 0.990 1.00 13.34 H new ATOM 128 N GLN A 9 -12.601 7.590 -1.461 1.00 43.10 N ATOM 129 CA GLN A 9 -11.879 8.627 -2.188 1.00 75.02 C ATOM 130 C GLN A 9 -11.585 8.140 -3.603 1.00 60.21 C ATOM 131 O GLN A 9 -11.546 6.933 -3.840 1.00 3.20 O ATOM 132 CB GLN A 9 -10.581 8.977 -1.434 1.00 73.53 C ATOM 133 CG GLN A 9 -9.638 9.901 -2.193 1.00 72.11 C ATOM 134 CD GLN A 9 -8.443 9.170 -2.788 1.00 41.13 C ATOM 135 OE1 GLN A 9 -7.380 9.754 -2.986 1.00 31.15 O ATOM 136 NE2 GLN A 9 -8.607 7.887 -3.077 1.00 2.25 N ATOM 0 H GLN A 9 -12.434 6.646 -1.810 1.00 43.10 H new ATOM 0 HA GLN A 9 -12.485 9.530 -2.255 1.00 75.02 H new ATOM 0 HB2 GLN A 9 -10.842 9.445 -0.485 1.00 73.53 H new ATOM 0 HB3 GLN A 9 -10.052 8.053 -1.199 1.00 73.53 H new ATOM 0 HG2 GLN A 9 -10.189 10.397 -2.992 1.00 72.11 H new ATOM 0 HG3 GLN A 9 -9.282 10.681 -1.520 1.00 72.11 H new ATOM 0 HE21 GLN A 9 -9.504 7.435 -2.899 1.00 2.25 H new ATOM 0 HE22 GLN A 9 -7.836 7.352 -3.477 1.00 2.25 H new ATOM 145 N ALA A 10 -11.365 9.063 -4.538 1.00 65.42 N ATOM 146 CA ALA A 10 -11.089 8.693 -5.911 1.00 45.44 C ATOM 147 C ALA A 10 -10.235 9.754 -6.581 1.00 40.24 C ATOM 148 O ALA A 10 -10.735 10.620 -7.295 1.00 5.14 O ATOM 149 CB ALA A 10 -12.378 8.466 -6.688 1.00 61.54 C ATOM 0 H ALA A 10 -11.374 10.068 -4.363 1.00 65.42 H new ATOM 0 HA ALA A 10 -10.535 7.754 -5.906 1.00 45.44 H new ATOM 0 HB1 ALA A 10 -12.140 8.190 -7.715 1.00 61.54 H new ATOM 0 HB2 ALA A 10 -12.949 7.664 -6.220 1.00 61.54 H new ATOM 0 HB3 ALA A 10 -12.970 9.381 -6.687 1.00 61.54 H new ATOM 155 N LYS A 11 -8.948 9.709 -6.300 1.00 35.30 N ATOM 156 CA LYS A 11 -7.999 10.574 -6.964 1.00 3.14 C ATOM 157 C LYS A 11 -7.325 9.777 -8.062 1.00 21.30 C ATOM 158 O LYS A 11 -7.339 8.548 -8.023 1.00 42.33 O ATOM 159 CB LYS A 11 -6.957 11.095 -5.973 1.00 44.33 C ATOM 160 CG LYS A 11 -6.134 12.258 -6.503 1.00 41.42 C ATOM 161 CD LYS A 11 -6.826 13.590 -6.263 1.00 64.20 C ATOM 162 CE LYS A 11 -6.924 13.898 -4.777 1.00 44.25 C ATOM 163 NZ LYS A 11 -5.581 13.986 -4.138 1.00 55.22 N ATOM 0 H LYS A 11 -8.536 9.078 -5.612 1.00 35.30 H new ATOM 0 HA LYS A 11 -8.516 11.436 -7.385 1.00 3.14 H new ATOM 0 HB2 LYS A 11 -7.462 11.407 -5.059 1.00 44.33 H new ATOM 0 HB3 LYS A 11 -6.286 10.280 -5.704 1.00 44.33 H new ATOM 0 HG2 LYS A 11 -5.157 12.263 -6.020 1.00 41.42 H new ATOM 0 HG3 LYS A 11 -5.961 12.125 -7.571 1.00 41.42 H new ATOM 0 HD2 LYS A 11 -6.276 14.385 -6.766 1.00 64.20 H new ATOM 0 HD3 LYS A 11 -7.825 13.568 -6.699 1.00 64.20 H new ATOM 0 HE2 LYS A 11 -7.456 14.839 -4.636 1.00 44.25 H new ATOM 0 HE3 LYS A 11 -7.511 13.123 -4.284 1.00 44.25 H new ATOM 0 HZ1 LYS A 11 -5.684 14.313 -3.156 1.00 55.22 H new ATOM 0 HZ2 LYS A 11 -5.131 13.048 -4.145 1.00 55.22 H new ATOM 0 HZ3 LYS A 11 -4.989 14.658 -4.666 1.00 55.22 H new ATOM 177 N ARG A 12 -6.759 10.451 -9.039 1.00 63.52 N ATOM 178 CA ARG A 12 -6.033 9.753 -10.090 1.00 53.23 C ATOM 179 C ARG A 12 -4.715 10.449 -10.428 1.00 73.22 C ATOM 180 O ARG A 12 -3.641 9.895 -10.216 1.00 23.55 O ATOM 181 CB ARG A 12 -6.890 9.624 -11.350 1.00 15.54 C ATOM 182 CG ARG A 12 -6.353 8.595 -12.332 1.00 54.44 C ATOM 183 CD ARG A 12 -7.206 8.504 -13.585 1.00 14.35 C ATOM 184 NE ARG A 12 -6.924 7.286 -14.341 1.00 44.30 N ATOM 185 CZ ARG A 12 -6.601 7.248 -15.632 1.00 13.53 C ATOM 186 NH1 ARG A 12 -6.487 8.363 -16.338 1.00 74.23 N ATOM 187 NH2 ARG A 12 -6.380 6.079 -16.210 1.00 20.22 N ATOM 0 H ARG A 12 -6.783 11.466 -9.132 1.00 63.52 H new ATOM 0 HA ARG A 12 -5.803 8.757 -9.712 1.00 53.23 H new ATOM 0 HB2 ARG A 12 -7.906 9.350 -11.065 1.00 15.54 H new ATOM 0 HB3 ARG A 12 -6.948 10.594 -11.844 1.00 15.54 H new ATOM 0 HG2 ARG A 12 -5.331 8.856 -12.607 1.00 54.44 H new ATOM 0 HG3 ARG A 12 -6.314 7.619 -11.849 1.00 54.44 H new ATOM 0 HD2 ARG A 12 -8.261 8.526 -13.310 1.00 14.35 H new ATOM 0 HD3 ARG A 12 -7.022 9.374 -14.215 1.00 14.35 H new ATOM 0 HE ARG A 12 -6.979 6.398 -13.842 1.00 44.30 H new ATOM 0 HH11 ARG A 12 -6.647 9.267 -15.893 1.00 74.23 H new ATOM 0 HH12 ARG A 12 -6.239 8.318 -17.326 1.00 74.23 H new ATOM 0 HH21 ARG A 12 -6.458 5.219 -15.667 1.00 20.22 H new ATOM 0 HH22 ARG A 12 -6.132 6.038 -17.198 1.00 20.22 H new ATOM 201 N VAL A 13 -4.800 11.670 -10.940 1.00 31.53 N ATOM 202 CA VAL A 13 -3.624 12.348 -11.479 1.00 52.40 C ATOM 203 C VAL A 13 -2.734 12.969 -10.389 1.00 71.51 C ATOM 204 O VAL A 13 -1.558 12.616 -10.287 1.00 34.00 O ATOM 205 CB VAL A 13 -4.013 13.426 -12.519 1.00 62.31 C ATOM 206 CG1 VAL A 13 -2.773 14.066 -13.126 1.00 35.51 C ATOM 207 CG2 VAL A 13 -4.892 12.827 -13.606 1.00 44.14 C ATOM 0 H VAL A 13 -5.664 12.210 -10.994 1.00 31.53 H new ATOM 0 HA VAL A 13 -3.041 11.572 -11.974 1.00 52.40 H new ATOM 0 HB VAL A 13 -4.580 14.203 -12.007 1.00 62.31 H new ATOM 0 HG11 VAL A 13 -3.072 14.820 -13.854 1.00 35.51 H new ATOM 0 HG12 VAL A 13 -2.183 14.535 -12.339 1.00 35.51 H new ATOM 0 HG13 VAL A 13 -2.174 13.301 -13.621 1.00 35.51 H new ATOM 0 HG21 VAL A 13 -5.155 13.600 -14.328 1.00 44.14 H new ATOM 0 HG22 VAL A 13 -4.351 12.027 -14.112 1.00 44.14 H new ATOM 0 HG23 VAL A 13 -5.800 12.424 -13.158 1.00 44.14 H new ATOM 217 N PRO A 14 -3.252 13.891 -9.551 1.00 60.31 N ATOM 218 CA PRO A 14 -2.427 14.623 -8.600 1.00 24.01 C ATOM 219 C PRO A 14 -2.351 13.947 -7.233 1.00 14.25 C ATOM 220 O PRO A 14 -2.848 14.475 -6.239 1.00 22.05 O ATOM 221 CB PRO A 14 -3.140 15.977 -8.498 1.00 14.51 C ATOM 222 CG PRO A 14 -4.565 15.734 -8.909 1.00 22.42 C ATOM 223 CD PRO A 14 -4.656 14.295 -9.432 1.00 34.53 C ATOM 0 HA PRO A 14 -1.389 14.689 -8.926 1.00 24.01 H new ATOM 0 HB2 PRO A 14 -3.089 16.368 -7.482 1.00 14.51 H new ATOM 0 HB3 PRO A 14 -2.668 16.715 -9.147 1.00 14.51 H new ATOM 0 HG2 PRO A 14 -5.238 15.878 -8.063 1.00 22.42 H new ATOM 0 HG3 PRO A 14 -4.867 16.442 -9.681 1.00 22.42 H new ATOM 0 HD2 PRO A 14 -5.203 13.651 -8.744 1.00 34.53 H new ATOM 0 HD3 PRO A 14 -5.171 14.247 -10.391 1.00 34.53 H new ATOM 231 N GLY A 15 -1.739 12.772 -7.193 1.00 2.54 N ATOM 232 CA GLY A 15 -1.560 12.076 -5.933 1.00 12.04 C ATOM 233 C GLY A 15 -2.812 11.349 -5.495 1.00 55.11 C ATOM 234 O GLY A 15 -3.655 11.912 -4.787 1.00 55.41 O ATOM 0 H GLY A 15 -1.363 12.288 -8.009 1.00 2.54 H new ATOM 0 HA2 GLY A 15 -0.742 11.362 -6.028 1.00 12.04 H new ATOM 0 HA3 GLY A 15 -1.270 12.791 -5.163 1.00 12.04 H new ATOM 238 N LEU A 16 -2.938 10.098 -5.917 1.00 2.11 N ATOM 239 CA LEU A 16 -4.112 9.298 -5.593 1.00 13.23 C ATOM 240 C LEU A 16 -3.817 8.420 -4.389 1.00 71.23 C ATOM 241 O LEU A 16 -2.673 8.033 -4.161 1.00 24.45 O ATOM 242 CB LEU A 16 -4.557 8.454 -6.801 1.00 50.45 C ATOM 243 CG LEU A 16 -3.726 7.212 -7.121 1.00 35.41 C ATOM 244 CD1 LEU A 16 -4.294 5.983 -6.427 1.00 75.42 C ATOM 245 CD2 LEU A 16 -3.652 6.987 -8.623 1.00 13.11 C ATOM 0 H LEU A 16 -2.242 9.615 -6.485 1.00 2.11 H new ATOM 0 HA LEU A 16 -4.936 9.967 -5.344 1.00 13.23 H new ATOM 0 HB2 LEU A 16 -5.587 8.139 -6.634 1.00 50.45 H new ATOM 0 HB3 LEU A 16 -4.559 9.097 -7.681 1.00 50.45 H new ATOM 0 HG LEU A 16 -2.716 7.378 -6.746 1.00 35.41 H new ATOM 0 HD11 LEU A 16 -3.684 5.113 -6.671 1.00 75.42 H new ATOM 0 HD12 LEU A 16 -4.288 6.139 -5.348 1.00 75.42 H new ATOM 0 HD13 LEU A 16 -5.317 5.815 -6.764 1.00 75.42 H new ATOM 0 HD21 LEU A 16 -3.056 6.098 -8.829 1.00 13.11 H new ATOM 0 HD22 LEU A 16 -4.658 6.850 -9.020 1.00 13.11 H new ATOM 0 HD23 LEU A 16 -3.189 7.852 -9.098 1.00 13.11 H new ATOM 257 N VAL A 17 -4.846 8.127 -3.619 1.00 65.34 N ATOM 258 CA VAL A 17 -4.683 7.366 -2.393 1.00 42.33 C ATOM 259 C VAL A 17 -5.451 6.053 -2.457 1.00 32.12 C ATOM 260 O VAL A 17 -6.628 6.030 -2.820 1.00 51.34 O ATOM 261 CB VAL A 17 -5.165 8.185 -1.178 1.00 5.44 C ATOM 262 CG1 VAL A 17 -4.912 7.435 0.120 1.00 72.15 C ATOM 263 CG2 VAL A 17 -4.495 9.549 -1.156 1.00 15.33 C ATOM 0 H VAL A 17 -5.807 8.404 -3.820 1.00 65.34 H new ATOM 0 HA VAL A 17 -3.621 7.146 -2.280 1.00 42.33 H new ATOM 0 HB VAL A 17 -6.241 8.333 -1.272 1.00 5.44 H new ATOM 0 HG11 VAL A 17 -5.261 8.035 0.961 1.00 72.15 H new ATOM 0 HG12 VAL A 17 -5.449 6.487 0.103 1.00 72.15 H new ATOM 0 HG13 VAL A 17 -3.844 7.245 0.228 1.00 72.15 H new ATOM 0 HG21 VAL A 17 -4.847 10.113 -0.292 1.00 15.33 H new ATOM 0 HG22 VAL A 17 -3.414 9.423 -1.091 1.00 15.33 H new ATOM 0 HG23 VAL A 17 -4.743 10.091 -2.069 1.00 15.33 H new ATOM 273 N VAL A 18 -4.778 4.960 -2.132 1.00 5.20 N ATOM 274 CA VAL A 18 -5.436 3.663 -2.027 1.00 73.31 C ATOM 275 C VAL A 18 -5.284 3.119 -0.613 1.00 13.41 C ATOM 276 O VAL A 18 -4.192 3.150 -0.041 1.00 33.30 O ATOM 277 CB VAL A 18 -4.872 2.633 -3.035 1.00 4.31 C ATOM 278 CG1 VAL A 18 -5.626 1.313 -2.939 1.00 51.34 C ATOM 279 CG2 VAL A 18 -4.929 3.175 -4.453 1.00 50.42 C ATOM 0 H VAL A 18 -3.777 4.943 -1.936 1.00 5.20 H new ATOM 0 HA VAL A 18 -6.489 3.816 -2.263 1.00 73.31 H new ATOM 0 HB VAL A 18 -3.828 2.452 -2.780 1.00 4.31 H new ATOM 0 HG11 VAL A 18 -5.212 0.605 -3.657 1.00 51.34 H new ATOM 0 HG12 VAL A 18 -5.526 0.909 -1.932 1.00 51.34 H new ATOM 0 HG13 VAL A 18 -6.680 1.479 -3.160 1.00 51.34 H new ATOM 0 HG21 VAL A 18 -4.527 2.433 -5.143 1.00 50.42 H new ATOM 0 HG22 VAL A 18 -5.964 3.394 -4.718 1.00 50.42 H new ATOM 0 HG23 VAL A 18 -4.337 4.088 -4.518 1.00 50.42 H new ATOM 289 N TYR A 19 -6.379 2.638 -0.048 1.00 52.21 N ATOM 290 CA TYR A 19 -6.362 2.087 1.295 1.00 65.54 C ATOM 291 C TYR A 19 -6.132 0.580 1.257 1.00 0.43 C ATOM 292 O TYR A 19 -6.594 -0.114 0.348 1.00 5.34 O ATOM 293 CB TYR A 19 -7.677 2.388 2.021 1.00 3.04 C ATOM 294 CG TYR A 19 -7.937 3.859 2.273 1.00 15.44 C ATOM 295 CD1 TYR A 19 -8.443 4.681 1.271 1.00 51.34 C ATOM 296 CD2 TYR A 19 -7.698 4.419 3.522 1.00 60.54 C ATOM 297 CE1 TYR A 19 -8.694 6.018 1.506 1.00 14.04 C ATOM 298 CE2 TYR A 19 -7.944 5.758 3.763 1.00 0.52 C ATOM 299 CZ TYR A 19 -8.445 6.551 2.752 1.00 51.44 C ATOM 300 OH TYR A 19 -8.701 7.882 2.990 1.00 1.14 O ATOM 0 H TYR A 19 -7.293 2.618 -0.501 1.00 52.21 H new ATOM 0 HA TYR A 19 -5.542 2.557 1.838 1.00 65.54 H new ATOM 0 HB2 TYR A 19 -8.501 1.982 1.435 1.00 3.04 H new ATOM 0 HB3 TYR A 19 -7.677 1.864 2.977 1.00 3.04 H new ATOM 0 HD1 TYR A 19 -8.643 4.267 0.294 1.00 51.34 H new ATOM 0 HD2 TYR A 19 -7.314 3.798 4.318 1.00 60.54 H new ATOM 0 HE1 TYR A 19 -9.084 6.644 0.717 1.00 14.04 H new ATOM 0 HE2 TYR A 19 -7.745 6.180 4.737 1.00 0.52 H new ATOM 0 HH TYR A 19 -8.472 8.098 3.918 1.00 1.14 H new ATOM 310 N ARG A 20 -5.393 0.090 2.235 1.00 71.45 N ATOM 311 CA ARG A 20 -5.180 -1.338 2.403 1.00 12.53 C ATOM 312 C ARG A 20 -6.430 -1.944 3.033 1.00 23.45 C ATOM 313 O ARG A 20 -6.680 -1.735 4.217 1.00 3.43 O ATOM 314 CB ARG A 20 -3.952 -1.559 3.290 1.00 3.11 C ATOM 315 CG ARG A 20 -3.395 -2.974 3.317 1.00 2.45 C ATOM 316 CD ARG A 20 -2.065 -2.983 4.056 1.00 60.33 C ATOM 317 NE ARG A 20 -1.469 -4.310 4.190 1.00 43.50 N ATOM 318 CZ ARG A 20 -0.275 -4.526 4.758 1.00 24.15 C ATOM 319 NH1 ARG A 20 0.447 -3.504 5.211 1.00 31.34 N ATOM 320 NH2 ARG A 20 0.198 -5.756 4.877 1.00 73.11 N ATOM 0 H ARG A 20 -4.925 0.667 2.934 1.00 71.45 H new ATOM 0 HA ARG A 20 -5.000 -1.821 1.442 1.00 12.53 H new ATOM 0 HB2 ARG A 20 -3.162 -0.885 2.958 1.00 3.11 H new ATOM 0 HB3 ARG A 20 -4.208 -1.271 4.310 1.00 3.11 H new ATOM 0 HG2 ARG A 20 -4.100 -3.644 3.808 1.00 2.45 H new ATOM 0 HG3 ARG A 20 -3.260 -3.342 2.300 1.00 2.45 H new ATOM 0 HD2 ARG A 20 -1.365 -2.333 3.531 1.00 60.33 H new ATOM 0 HD3 ARG A 20 -2.210 -2.559 5.050 1.00 60.33 H new ATOM 0 HE ARG A 20 -1.988 -5.112 3.833 1.00 43.50 H new ATOM 0 HH11 ARG A 20 0.092 -2.552 5.126 1.00 31.34 H new ATOM 0 HH12 ARG A 20 1.356 -3.673 5.643 1.00 31.34 H new ATOM 0 HH21 ARG A 20 -0.347 -6.547 4.535 1.00 73.11 H new ATOM 0 HH22 ARG A 20 1.108 -5.913 5.311 1.00 73.11 H new ATOM 334 N TYR A 21 -7.212 -2.656 2.211 1.00 44.22 N ATOM 335 CA TYR A 21 -8.517 -3.210 2.610 1.00 33.32 C ATOM 336 C TYR A 21 -8.531 -3.699 4.054 1.00 2.32 C ATOM 337 O TYR A 21 -7.826 -4.640 4.404 1.00 22.41 O ATOM 338 CB TYR A 21 -8.901 -4.375 1.693 1.00 64.30 C ATOM 339 CG TYR A 21 -9.018 -4.010 0.232 1.00 23.30 C ATOM 340 CD1 TYR A 21 -10.172 -3.418 -0.267 1.00 30.04 C ATOM 341 CD2 TYR A 21 -7.980 -4.271 -0.652 1.00 34.33 C ATOM 342 CE1 TYR A 21 -10.286 -3.094 -1.606 1.00 62.30 C ATOM 343 CE2 TYR A 21 -8.088 -3.955 -1.991 1.00 1.01 C ATOM 344 CZ TYR A 21 -9.242 -3.366 -2.465 1.00 61.22 C ATOM 345 OH TYR A 21 -9.352 -3.060 -3.801 1.00 13.43 O ATOM 0 H TYR A 21 -6.958 -2.866 1.246 1.00 44.22 H new ATOM 0 HA TYR A 21 -9.238 -2.398 2.521 1.00 33.32 H new ATOM 0 HB2 TYR A 21 -8.157 -5.165 1.799 1.00 64.30 H new ATOM 0 HB3 TYR A 21 -9.853 -4.787 2.029 1.00 64.30 H new ATOM 0 HD1 TYR A 21 -10.993 -3.208 0.402 1.00 30.04 H new ATOM 0 HD2 TYR A 21 -7.073 -4.729 -0.286 1.00 34.33 H new ATOM 0 HE1 TYR A 21 -11.188 -2.630 -1.977 1.00 62.30 H new ATOM 0 HE2 TYR A 21 -7.272 -4.168 -2.666 1.00 1.01 H new ATOM 0 HH TYR A 21 -9.220 -2.097 -3.928 1.00 13.43 H new ATOM 355 N ASP A 22 -9.351 -3.059 4.878 1.00 50.33 N ATOM 356 CA ASP A 22 -9.429 -3.390 6.297 1.00 24.10 C ATOM 357 C ASP A 22 -10.386 -4.558 6.518 1.00 11.43 C ATOM 358 O ASP A 22 -11.480 -4.391 7.060 1.00 61.33 O ATOM 359 CB ASP A 22 -9.891 -2.167 7.097 1.00 43.02 C ATOM 360 CG ASP A 22 -9.340 -2.149 8.508 1.00 50.12 C ATOM 361 OD1 ASP A 22 -8.173 -1.735 8.681 1.00 75.52 O ATOM 362 OD2 ASP A 22 -10.069 -2.522 9.452 1.00 42.13 O ATOM 0 H ASP A 22 -9.974 -2.305 4.588 1.00 50.33 H new ATOM 0 HA ASP A 22 -8.438 -3.684 6.643 1.00 24.10 H new ATOM 0 HB2 ASP A 22 -9.580 -1.260 6.578 1.00 43.02 H new ATOM 0 HB3 ASP A 22 -10.980 -2.154 7.136 1.00 43.02 H new ATOM 367 N ALA A 23 -9.985 -5.733 6.046 1.00 50.13 N ATOM 368 CA ALA A 23 -10.772 -6.947 6.216 1.00 3.03 C ATOM 369 C ALA A 23 -9.944 -8.168 5.848 1.00 51.23 C ATOM 370 O ALA A 23 -9.288 -8.183 4.808 1.00 55.01 O ATOM 371 CB ALA A 23 -12.028 -6.898 5.365 1.00 20.53 C ATOM 0 H ALA A 23 -9.111 -5.870 5.538 1.00 50.13 H new ATOM 0 HA ALA A 23 -11.065 -7.018 7.263 1.00 3.03 H new ATOM 0 HB1 ALA A 23 -12.600 -7.815 5.508 1.00 20.53 H new ATOM 0 HB2 ALA A 23 -12.635 -6.042 5.660 1.00 20.53 H new ATOM 0 HB3 ALA A 23 -11.752 -6.802 4.315 1.00 20.53 H new ATOM 377 N PRO A 24 -9.944 -9.192 6.717 1.00 43.23 N ATOM 378 CA PRO A 24 -9.137 -10.407 6.532 1.00 54.22 C ATOM 379 C PRO A 24 -9.373 -11.104 5.200 1.00 62.35 C ATOM 380 O PRO A 24 -10.400 -11.749 4.987 1.00 32.22 O ATOM 381 CB PRO A 24 -9.565 -11.311 7.690 1.00 61.34 C ATOM 382 CG PRO A 24 -10.025 -10.367 8.735 1.00 41.31 C ATOM 383 CD PRO A 24 -10.716 -9.239 7.971 1.00 34.35 C ATOM 0 HA PRO A 24 -8.074 -10.167 6.524 1.00 54.22 H new ATOM 0 HB2 PRO A 24 -10.361 -11.993 7.390 1.00 61.34 H new ATOM 0 HB3 PRO A 24 -8.736 -11.925 8.044 1.00 61.34 H new ATOM 0 HG2 PRO A 24 -10.711 -10.851 9.430 1.00 41.31 H new ATOM 0 HG3 PRO A 24 -9.188 -9.991 9.323 1.00 41.31 H new ATOM 0 HD2 PRO A 24 -11.769 -9.454 7.792 1.00 34.35 H new ATOM 0 HD3 PRO A 24 -10.671 -8.294 8.512 1.00 34.35 H new ATOM 391 N LEU A 25 -8.414 -10.952 4.302 1.00 30.42 N ATOM 392 CA LEU A 25 -8.428 -11.672 3.043 1.00 44.43 C ATOM 393 C LEU A 25 -7.249 -12.631 2.989 1.00 71.11 C ATOM 394 O LEU A 25 -7.090 -13.387 2.026 1.00 33.20 O ATOM 395 CB LEU A 25 -8.473 -10.713 1.819 1.00 43.21 C ATOM 396 CG LEU A 25 -7.269 -9.771 1.535 1.00 11.23 C ATOM 397 CD1 LEU A 25 -6.887 -8.920 2.738 1.00 13.22 C ATOM 398 CD2 LEU A 25 -6.064 -10.544 1.022 1.00 64.31 C ATOM 0 H LEU A 25 -7.613 -10.333 4.424 1.00 30.42 H new ATOM 0 HA LEU A 25 -9.346 -12.257 2.988 1.00 44.43 H new ATOM 0 HB2 LEU A 25 -8.624 -11.326 0.930 1.00 43.21 H new ATOM 0 HB3 LEU A 25 -9.358 -10.086 1.928 1.00 43.21 H new ATOM 0 HG LEU A 25 -7.600 -9.088 0.753 1.00 11.23 H new ATOM 0 HD11 LEU A 25 -6.041 -8.283 2.479 1.00 13.22 H new ATOM 0 HD12 LEU A 25 -7.734 -8.298 3.027 1.00 13.22 H new ATOM 0 HD13 LEU A 25 -6.612 -9.568 3.570 1.00 13.22 H new ATOM 0 HD21 LEU A 25 -5.242 -9.853 0.834 1.00 64.31 H new ATOM 0 HD22 LEU A 25 -5.758 -11.278 1.767 1.00 64.31 H new ATOM 0 HD23 LEU A 25 -6.327 -11.055 0.096 1.00 64.31 H new ATOM 410 N CYS A 26 -6.427 -12.592 4.043 1.00 22.32 N ATOM 411 CA CYS A 26 -5.292 -13.500 4.188 1.00 70.52 C ATOM 412 C CYS A 26 -4.261 -13.232 3.093 1.00 62.14 C ATOM 413 O CYS A 26 -3.418 -12.340 3.235 1.00 23.13 O ATOM 414 CB CYS A 26 -5.768 -14.963 4.164 1.00 20.31 C ATOM 415 SG CYS A 26 -4.453 -16.190 4.349 1.00 71.34 S ATOM 0 H CYS A 26 -6.532 -11.933 4.814 1.00 22.32 H new ATOM 0 HA CYS A 26 -4.815 -13.322 5.152 1.00 70.52 H new ATOM 0 HB2 CYS A 26 -6.495 -15.107 4.963 1.00 20.31 H new ATOM 0 HB3 CYS A 26 -6.287 -15.146 3.223 1.00 20.31 H new ATOM 0 HG CYS A 26 -3.364 -15.747 3.794 1.00 71.34 H new ATOM 421 N PHE A 27 -4.338 -14.005 2.011 1.00 43.44 N ATOM 422 CA PHE A 27 -3.527 -13.771 0.818 1.00 61.43 C ATOM 423 C PHE A 27 -3.863 -14.777 -0.274 1.00 40.31 C ATOM 424 O PHE A 27 -3.186 -14.826 -1.300 1.00 61.11 O ATOM 425 CB PHE A 27 -2.026 -13.833 1.125 1.00 71.02 C ATOM 426 CG PHE A 27 -1.544 -15.167 1.644 1.00 53.42 C ATOM 427 CD1 PHE A 27 -1.533 -15.434 3.003 1.00 34.23 C ATOM 428 CD2 PHE A 27 -1.098 -16.149 0.770 1.00 21.41 C ATOM 429 CE1 PHE A 27 -1.088 -16.654 3.481 1.00 21.12 C ATOM 430 CE2 PHE A 27 -0.653 -17.369 1.244 1.00 65.41 C ATOM 431 CZ PHE A 27 -0.649 -17.621 2.600 1.00 43.24 C ATOM 0 H PHE A 27 -4.962 -14.808 1.937 1.00 43.44 H new ATOM 0 HA PHE A 27 -3.764 -12.766 0.469 1.00 61.43 H new ATOM 0 HB2 PHE A 27 -1.473 -13.590 0.218 1.00 71.02 H new ATOM 0 HB3 PHE A 27 -1.787 -13.064 1.860 1.00 71.02 H new ATOM 0 HD1 PHE A 27 -1.876 -14.681 3.698 1.00 34.23 H new ATOM 0 HD2 PHE A 27 -1.099 -15.958 -0.293 1.00 21.41 H new ATOM 0 HE1 PHE A 27 -1.084 -16.849 4.543 1.00 21.12 H new ATOM 0 HE2 PHE A 27 -0.309 -18.124 0.553 1.00 65.41 H new ATOM 0 HZ PHE A 27 -0.303 -18.574 2.972 1.00 43.24 H new ATOM 441 N ALA A 28 -4.935 -15.542 -0.062 1.00 24.32 N ATOM 442 CA ALA A 28 -5.306 -16.648 -0.949 1.00 4.42 C ATOM 443 C ALA A 28 -5.261 -16.238 -2.417 1.00 73.22 C ATOM 444 O ALA A 28 -4.519 -16.810 -3.216 1.00 35.22 O ATOM 445 CB ALA A 28 -6.696 -17.149 -0.590 1.00 43.42 C ATOM 0 H ALA A 28 -5.569 -15.414 0.726 1.00 24.32 H new ATOM 0 HA ALA A 28 -4.579 -17.448 -0.809 1.00 4.42 H new ATOM 0 HB1 ALA A 28 -6.968 -17.971 -1.252 1.00 43.42 H new ATOM 0 HB2 ALA A 28 -6.702 -17.497 0.443 1.00 43.42 H new ATOM 0 HB3 ALA A 28 -7.416 -16.338 -0.704 1.00 43.42 H new ATOM 451 N ASN A 29 -6.042 -15.233 -2.763 1.00 63.32 N ATOM 452 CA ASN A 29 -6.083 -14.732 -4.128 1.00 63.20 C ATOM 453 C ASN A 29 -5.483 -13.335 -4.199 1.00 72.23 C ATOM 454 O ASN A 29 -5.528 -12.686 -5.240 1.00 11.25 O ATOM 455 CB ASN A 29 -7.525 -14.728 -4.656 1.00 60.04 C ATOM 456 CG ASN A 29 -8.505 -14.036 -3.720 1.00 12.11 C ATOM 457 OD1 ASN A 29 -8.153 -13.110 -2.991 1.00 23.12 O ATOM 458 ND2 ASN A 29 -9.746 -14.492 -3.730 1.00 23.33 N ATOM 0 H ASN A 29 -6.660 -14.744 -2.116 1.00 63.32 H new ATOM 0 HA ASN A 29 -5.489 -15.394 -4.758 1.00 63.20 H new ATOM 0 HB2 ASN A 29 -7.548 -14.232 -5.627 1.00 60.04 H new ATOM 0 HB3 ASN A 29 -7.849 -15.756 -4.815 1.00 60.04 H new ATOM 0 HD21 ASN A 29 -10.448 -14.074 -3.119 1.00 23.33 H new ATOM 0 HD22 ASN A 29 -10.001 -15.262 -4.348 1.00 23.33 H new ATOM 465 N ALA A 30 -4.864 -12.914 -3.095 1.00 52.21 N ATOM 466 CA ALA A 30 -4.431 -11.529 -2.915 1.00 24.00 C ATOM 467 C ALA A 30 -3.454 -11.074 -3.986 1.00 74.23 C ATOM 468 O ALA A 30 -3.404 -9.896 -4.306 1.00 1.23 O ATOM 469 CB ALA A 30 -3.809 -11.342 -1.546 1.00 53.12 C ATOM 0 H ALA A 30 -4.650 -13.521 -2.304 1.00 52.21 H new ATOM 0 HA ALA A 30 -5.324 -10.911 -3.004 1.00 24.00 H new ATOM 0 HB1 ALA A 30 -3.492 -10.306 -1.429 1.00 53.12 H new ATOM 0 HB2 ALA A 30 -4.542 -11.587 -0.777 1.00 53.12 H new ATOM 0 HB3 ALA A 30 -2.945 -11.999 -1.446 1.00 53.12 H new ATOM 475 N GLU A 31 -2.673 -11.996 -4.524 1.00 73.34 N ATOM 476 CA GLU A 31 -1.711 -11.663 -5.567 1.00 14.43 C ATOM 477 C GLU A 31 -2.429 -11.121 -6.804 1.00 54.32 C ATOM 478 O GLU A 31 -2.307 -9.933 -7.155 1.00 72.23 O ATOM 479 CB GLU A 31 -0.890 -12.905 -5.920 1.00 23.44 C ATOM 480 CG GLU A 31 0.109 -12.696 -7.042 1.00 12.32 C ATOM 481 CD GLU A 31 0.914 -13.945 -7.326 1.00 30.02 C ATOM 482 OE1 GLU A 31 0.311 -14.970 -7.708 1.00 33.12 O ATOM 483 OE2 GLU A 31 2.147 -13.911 -7.149 1.00 65.32 O ATOM 0 H GLU A 31 -2.684 -12.981 -4.258 1.00 73.34 H new ATOM 0 HA GLU A 31 -1.040 -10.886 -5.200 1.00 14.43 H new ATOM 0 HB2 GLU A 31 -0.355 -13.237 -5.030 1.00 23.44 H new ATOM 0 HB3 GLU A 31 -1.571 -13.708 -6.201 1.00 23.44 H new ATOM 0 HG2 GLU A 31 -0.419 -12.392 -7.946 1.00 12.32 H new ATOM 0 HG3 GLU A 31 0.784 -11.882 -6.779 1.00 12.32 H new ATOM 490 N ASP A 32 -3.204 -11.990 -7.442 1.00 54.13 N ATOM 491 CA ASP A 32 -3.946 -11.623 -8.638 1.00 53.21 C ATOM 492 C ASP A 32 -4.973 -10.554 -8.307 1.00 42.42 C ATOM 493 O ASP A 32 -5.110 -9.576 -9.032 1.00 11.34 O ATOM 494 CB ASP A 32 -4.637 -12.851 -9.239 1.00 0.45 C ATOM 495 CG ASP A 32 -5.339 -12.539 -10.545 1.00 1.10 C ATOM 496 OD1 ASP A 32 -4.666 -12.537 -11.597 1.00 53.54 O ATOM 497 OD2 ASP A 32 -6.564 -12.311 -10.530 1.00 21.02 O ATOM 0 H ASP A 32 -3.334 -12.958 -7.148 1.00 54.13 H new ATOM 0 HA ASP A 32 -3.246 -11.226 -9.373 1.00 53.21 H new ATOM 0 HB2 ASP A 32 -3.898 -13.635 -9.405 1.00 0.45 H new ATOM 0 HB3 ASP A 32 -5.362 -13.242 -8.525 1.00 0.45 H new ATOM 502 N PHE A 33 -5.665 -10.743 -7.188 1.00 62.24 N ATOM 503 CA PHE A 33 -6.677 -9.802 -6.722 1.00 13.31 C ATOM 504 C PHE A 33 -6.103 -8.395 -6.562 1.00 74.42 C ATOM 505 O PHE A 33 -6.714 -7.416 -7.000 1.00 14.33 O ATOM 506 CB PHE A 33 -7.271 -10.296 -5.392 1.00 12.05 C ATOM 507 CG PHE A 33 -7.964 -9.238 -4.585 1.00 43.23 C ATOM 508 CD1 PHE A 33 -9.113 -8.627 -5.057 1.00 63.12 C ATOM 509 CD2 PHE A 33 -7.450 -8.843 -3.359 1.00 31.43 C ATOM 510 CE1 PHE A 33 -9.745 -7.647 -4.321 1.00 62.51 C ATOM 511 CE2 PHE A 33 -8.077 -7.859 -2.617 1.00 73.40 C ATOM 512 CZ PHE A 33 -9.225 -7.259 -3.102 1.00 32.54 C ATOM 0 H PHE A 33 -5.540 -11.552 -6.579 1.00 62.24 H new ATOM 0 HA PHE A 33 -7.466 -9.749 -7.472 1.00 13.31 H new ATOM 0 HB2 PHE A 33 -7.980 -11.097 -5.601 1.00 12.05 H new ATOM 0 HB3 PHE A 33 -6.471 -10.727 -4.790 1.00 12.05 H new ATOM 0 HD1 PHE A 33 -9.519 -8.921 -6.013 1.00 63.12 H new ATOM 0 HD2 PHE A 33 -6.552 -9.308 -2.980 1.00 31.43 H new ATOM 0 HE1 PHE A 33 -10.645 -7.184 -4.697 1.00 62.51 H new ATOM 0 HE2 PHE A 33 -7.672 -7.560 -1.662 1.00 73.40 H new ATOM 0 HZ PHE A 33 -9.715 -6.487 -2.527 1.00 32.54 H new ATOM 522 N ARG A 34 -4.921 -8.300 -5.955 1.00 43.05 N ATOM 523 CA ARG A 34 -4.303 -7.008 -5.694 1.00 41.05 C ATOM 524 C ARG A 34 -4.054 -6.262 -6.991 1.00 72.23 C ATOM 525 O ARG A 34 -4.523 -5.138 -7.168 1.00 11.13 O ATOM 526 CB ARG A 34 -2.976 -7.159 -4.948 1.00 54.45 C ATOM 527 CG ARG A 34 -2.466 -5.851 -4.369 1.00 71.35 C ATOM 528 CD ARG A 34 -3.188 -5.501 -3.074 1.00 12.11 C ATOM 529 NE ARG A 34 -2.631 -6.220 -1.920 1.00 11.50 N ATOM 530 CZ ARG A 34 -3.111 -6.132 -0.674 1.00 22.30 C ATOM 531 NH1 ARG A 34 -4.230 -5.461 -0.427 1.00 22.41 N ATOM 532 NH2 ARG A 34 -2.469 -6.731 0.323 1.00 34.12 N ATOM 0 H ARG A 34 -4.376 -9.102 -5.637 1.00 43.05 H new ATOM 0 HA ARG A 34 -4.996 -6.444 -5.070 1.00 41.05 H new ATOM 0 HB2 ARG A 34 -3.099 -7.883 -4.142 1.00 54.45 H new ATOM 0 HB3 ARG A 34 -2.227 -7.565 -5.629 1.00 54.45 H new ATOM 0 HG2 ARG A 34 -1.395 -5.927 -4.182 1.00 71.35 H new ATOM 0 HG3 ARG A 34 -2.607 -5.050 -5.095 1.00 71.35 H new ATOM 0 HD2 ARG A 34 -3.119 -4.427 -2.900 1.00 12.11 H new ATOM 0 HD3 ARG A 34 -4.247 -5.740 -3.173 1.00 12.11 H new ATOM 0 HE ARG A 34 -1.826 -6.826 -2.079 1.00 11.50 H new ATOM 0 HH11 ARG A 34 -4.732 -5.007 -1.190 1.00 22.41 H new ATOM 0 HH12 ARG A 34 -4.588 -5.400 0.526 1.00 22.41 H new ATOM 0 HH21 ARG A 34 -1.614 -7.255 0.137 1.00 34.12 H new ATOM 0 HH22 ARG A 34 -2.831 -6.667 1.274 1.00 34.12 H new ATOM 546 N ARG A 35 -3.320 -6.882 -7.906 1.00 41.10 N ATOM 547 CA ARG A 35 -2.987 -6.196 -9.143 1.00 62.12 C ATOM 548 C ARG A 35 -4.213 -6.050 -10.035 1.00 21.34 C ATOM 549 O ARG A 35 -4.337 -5.080 -10.761 1.00 55.24 O ATOM 550 CB ARG A 35 -1.844 -6.878 -9.898 1.00 72.24 C ATOM 551 CG ARG A 35 -2.119 -8.305 -10.338 1.00 55.31 C ATOM 552 CD ARG A 35 -1.016 -8.801 -11.259 1.00 73.00 C ATOM 553 NE ARG A 35 0.305 -8.721 -10.628 1.00 1.03 N ATOM 554 CZ ARG A 35 1.346 -8.059 -11.140 1.00 12.34 C ATOM 555 NH1 ARG A 35 1.233 -7.393 -12.284 1.00 11.44 N ATOM 556 NH2 ARG A 35 2.507 -8.057 -10.500 1.00 62.12 N ATOM 0 H ARG A 35 -2.954 -7.830 -7.819 1.00 41.10 H new ATOM 0 HA ARG A 35 -2.639 -5.200 -8.867 1.00 62.12 H new ATOM 0 HB2 ARG A 35 -1.606 -6.283 -10.780 1.00 72.24 H new ATOM 0 HB3 ARG A 35 -0.958 -6.875 -9.263 1.00 72.24 H new ATOM 0 HG2 ARG A 35 -2.191 -8.953 -9.465 1.00 55.31 H new ATOM 0 HG3 ARG A 35 -3.079 -8.355 -10.851 1.00 55.31 H new ATOM 0 HD2 ARG A 35 -1.219 -9.833 -11.545 1.00 73.00 H new ATOM 0 HD3 ARG A 35 -1.016 -8.211 -12.175 1.00 73.00 H new ATOM 0 HE ARG A 35 0.438 -9.203 -9.739 1.00 1.03 H new ATOM 0 HH11 ARG A 35 0.343 -7.383 -12.783 1.00 11.44 H new ATOM 0 HH12 ARG A 35 2.036 -6.892 -12.664 1.00 11.44 H new ATOM 0 HH21 ARG A 35 2.604 -8.560 -9.618 1.00 62.12 H new ATOM 0 HH22 ARG A 35 3.303 -7.552 -10.889 1.00 62.12 H new ATOM 570 N ARG A 36 -5.136 -6.993 -9.957 1.00 44.03 N ATOM 571 CA ARG A 36 -6.338 -6.934 -10.777 1.00 61.22 C ATOM 572 C ARG A 36 -7.088 -5.626 -10.532 1.00 61.04 C ATOM 573 O ARG A 36 -7.146 -4.748 -11.399 1.00 51.31 O ATOM 574 CB ARG A 36 -7.246 -8.129 -10.465 1.00 73.32 C ATOM 575 CG ARG A 36 -8.294 -8.408 -11.528 1.00 30.11 C ATOM 576 CD ARG A 36 -7.648 -8.654 -12.882 1.00 21.03 C ATOM 577 NE ARG A 36 -6.594 -9.669 -12.816 1.00 41.34 N ATOM 578 CZ ARG A 36 -5.437 -9.585 -13.479 1.00 42.54 C ATOM 579 NH1 ARG A 36 -5.157 -8.507 -14.206 1.00 64.13 N ATOM 580 NH2 ARG A 36 -4.552 -10.568 -13.394 1.00 72.03 N ATOM 0 H ARG A 36 -5.079 -7.803 -9.340 1.00 44.03 H new ATOM 0 HA ARG A 36 -6.046 -6.975 -11.826 1.00 61.22 H new ATOM 0 HB2 ARG A 36 -6.628 -9.018 -10.338 1.00 73.32 H new ATOM 0 HB3 ARG A 36 -7.748 -7.951 -9.514 1.00 73.32 H new ATOM 0 HG2 ARG A 36 -8.886 -9.277 -11.241 1.00 30.11 H new ATOM 0 HG3 ARG A 36 -8.980 -7.564 -11.597 1.00 30.11 H new ATOM 0 HD2 ARG A 36 -8.410 -8.970 -13.594 1.00 21.03 H new ATOM 0 HD3 ARG A 36 -7.228 -7.721 -13.257 1.00 21.03 H new ATOM 0 HE ARG A 36 -6.753 -10.488 -12.229 1.00 41.34 H new ATOM 0 HH11 ARG A 36 -5.827 -7.740 -14.259 1.00 64.13 H new ATOM 0 HH12 ARG A 36 -4.272 -8.448 -14.710 1.00 64.13 H new ATOM 0 HH21 ARG A 36 -4.754 -11.388 -12.823 1.00 72.03 H new ATOM 0 HH22 ARG A 36 -3.669 -10.504 -13.900 1.00 72.03 H new ATOM 594 N ALA A 37 -7.589 -5.483 -9.314 1.00 62.21 N ATOM 595 CA ALA A 37 -8.475 -4.382 -8.972 1.00 3.24 C ATOM 596 C ALA A 37 -7.704 -3.083 -8.823 1.00 1.01 C ATOM 597 O ALA A 37 -8.031 -2.080 -9.450 1.00 34.32 O ATOM 598 CB ALA A 37 -9.240 -4.694 -7.692 1.00 31.12 C ATOM 0 H ALA A 37 -7.395 -6.121 -8.542 1.00 62.21 H new ATOM 0 HA ALA A 37 -9.188 -4.259 -9.787 1.00 3.24 H new ATOM 0 HB1 ALA A 37 -9.899 -3.860 -7.449 1.00 31.12 H new ATOM 0 HB2 ALA A 37 -9.834 -5.597 -7.834 1.00 31.12 H new ATOM 0 HB3 ALA A 37 -8.535 -4.849 -6.875 1.00 31.12 H new ATOM 604 N LEU A 38 -6.663 -3.110 -8.010 1.00 43.33 N ATOM 605 CA LEU A 38 -5.933 -1.897 -7.697 1.00 42.12 C ATOM 606 C LEU A 38 -5.176 -1.382 -8.919 1.00 70.00 C ATOM 607 O LEU A 38 -5.213 -0.192 -9.230 1.00 63.12 O ATOM 608 CB LEU A 38 -4.979 -2.121 -6.519 1.00 63.14 C ATOM 609 CG LEU A 38 -5.643 -2.307 -5.149 1.00 51.02 C ATOM 610 CD1 LEU A 38 -6.337 -3.658 -5.044 1.00 14.45 C ATOM 611 CD2 LEU A 38 -4.612 -2.153 -4.041 1.00 4.31 C ATOM 0 H LEU A 38 -6.307 -3.952 -7.558 1.00 43.33 H new ATOM 0 HA LEU A 38 -6.657 -1.136 -7.406 1.00 42.12 H new ATOM 0 HB2 LEU A 38 -4.372 -3.001 -6.730 1.00 63.14 H new ATOM 0 HB3 LEU A 38 -4.299 -1.271 -6.460 1.00 63.14 H new ATOM 0 HG LEU A 38 -6.404 -1.534 -5.038 1.00 51.02 H new ATOM 0 HD11 LEU A 38 -6.796 -3.756 -4.060 1.00 14.45 H new ATOM 0 HD12 LEU A 38 -7.106 -3.733 -5.813 1.00 14.45 H new ATOM 0 HD13 LEU A 38 -5.606 -4.454 -5.184 1.00 14.45 H new ATOM 0 HD21 LEU A 38 -5.095 -2.287 -3.073 1.00 4.31 H new ATOM 0 HD22 LEU A 38 -3.831 -2.903 -4.164 1.00 4.31 H new ATOM 0 HD23 LEU A 38 -4.170 -1.158 -4.091 1.00 4.31 H new ATOM 623 N THR A 39 -4.511 -2.263 -9.643 1.00 54.41 N ATOM 624 CA THR A 39 -3.770 -1.824 -10.807 1.00 21.53 C ATOM 625 C THR A 39 -4.718 -1.300 -11.891 1.00 21.30 C ATOM 626 O THR A 39 -4.347 -0.410 -12.661 1.00 21.04 O ATOM 627 CB THR A 39 -2.850 -2.943 -11.339 1.00 61.34 C ATOM 628 OG1 THR A 39 -1.656 -3.016 -10.550 1.00 15.33 O ATOM 629 CG2 THR A 39 -2.490 -2.758 -12.796 1.00 4.50 C ATOM 0 H THR A 39 -4.469 -3.264 -9.451 1.00 54.41 H new ATOM 0 HA THR A 39 -3.126 -0.997 -10.508 1.00 21.53 H new ATOM 0 HB THR A 39 -3.407 -3.877 -11.259 1.00 61.34 H new ATOM 0 HG1 THR A 39 -1.080 -3.730 -10.894 1.00 15.33 H new ATOM 0 HG21 THR A 39 -1.842 -3.573 -13.117 1.00 4.50 H new ATOM 0 HG22 THR A 39 -3.399 -2.758 -13.398 1.00 4.50 H new ATOM 0 HG23 THR A 39 -1.970 -1.809 -12.925 1.00 4.50 H new ATOM 637 N VAL A 40 -5.954 -1.806 -11.919 1.00 34.10 N ATOM 638 CA VAL A 40 -6.926 -1.341 -12.901 1.00 33.45 C ATOM 639 C VAL A 40 -7.606 -0.030 -12.473 1.00 53.20 C ATOM 640 O VAL A 40 -8.195 0.661 -13.304 1.00 44.34 O ATOM 641 CB VAL A 40 -7.986 -2.423 -13.204 1.00 24.04 C ATOM 642 CG1 VAL A 40 -9.160 -2.363 -12.237 1.00 23.40 C ATOM 643 CG2 VAL A 40 -8.465 -2.323 -14.643 1.00 62.02 C ATOM 0 H VAL A 40 -6.297 -2.525 -11.283 1.00 34.10 H new ATOM 0 HA VAL A 40 -6.368 -1.139 -13.815 1.00 33.45 H new ATOM 0 HB VAL A 40 -7.505 -3.391 -13.065 1.00 24.04 H new ATOM 0 HG11 VAL A 40 -9.879 -3.142 -12.489 1.00 23.40 H new ATOM 0 HG12 VAL A 40 -8.801 -2.516 -11.219 1.00 23.40 H new ATOM 0 HG13 VAL A 40 -9.641 -1.388 -12.309 1.00 23.40 H new ATOM 0 HG21 VAL A 40 -9.211 -3.095 -14.833 1.00 62.02 H new ATOM 0 HG22 VAL A 40 -8.908 -1.341 -14.812 1.00 62.02 H new ATOM 0 HG23 VAL A 40 -7.620 -2.461 -15.318 1.00 62.02 H new ATOM 653 N VAL A 41 -7.532 0.323 -11.184 1.00 73.51 N ATOM 654 CA VAL A 41 -7.988 1.650 -10.758 1.00 24.14 C ATOM 655 C VAL A 41 -6.896 2.669 -11.056 1.00 53.24 C ATOM 656 O VAL A 41 -7.129 3.874 -10.969 1.00 73.34 O ATOM 657 CB VAL A 41 -8.385 1.732 -9.259 1.00 61.22 C ATOM 658 CG1 VAL A 41 -9.352 0.622 -8.892 1.00 14.13 C ATOM 659 CG2 VAL A 41 -7.165 1.713 -8.350 1.00 44.41 C ATOM 0 H VAL A 41 -7.172 -0.272 -10.438 1.00 73.51 H new ATOM 0 HA VAL A 41 -8.896 1.865 -11.321 1.00 24.14 H new ATOM 0 HB VAL A 41 -8.888 2.687 -9.108 1.00 61.22 H new ATOM 0 HG11 VAL A 41 -9.614 0.702 -7.837 1.00 14.13 H new ATOM 0 HG12 VAL A 41 -10.254 0.710 -9.498 1.00 14.13 H new ATOM 0 HG13 VAL A 41 -8.884 -0.345 -9.077 1.00 14.13 H new ATOM 0 HG21 VAL A 41 -7.485 1.772 -7.310 1.00 44.41 H new ATOM 0 HG22 VAL A 41 -6.609 0.789 -8.507 1.00 44.41 H new ATOM 0 HG23 VAL A 41 -6.525 2.565 -8.582 1.00 44.41 H new ATOM 669 N ASP A 42 -5.702 2.125 -11.358 1.00 52.11 N ATOM 670 CA ASP A 42 -4.543 2.849 -11.918 1.00 13.01 C ATOM 671 C ASP A 42 -3.350 2.792 -10.985 1.00 73.20 C ATOM 672 O ASP A 42 -3.088 3.718 -10.220 1.00 61.54 O ATOM 673 CB ASP A 42 -4.823 4.305 -12.319 1.00 32.53 C ATOM 674 CG ASP A 42 -5.293 4.434 -13.753 1.00 63.24 C ATOM 675 OD1 ASP A 42 -4.436 4.494 -14.661 1.00 2.31 O ATOM 676 OD2 ASP A 42 -6.521 4.492 -13.986 1.00 64.04 O ATOM 0 H ASP A 42 -5.510 1.134 -11.214 1.00 52.11 H new ATOM 0 HA ASP A 42 -4.316 2.319 -12.843 1.00 13.01 H new ATOM 0 HB2 ASP A 42 -5.579 4.722 -11.654 1.00 32.53 H new ATOM 0 HB3 ASP A 42 -3.917 4.896 -12.183 1.00 32.53 H new ATOM 681 N GLN A 43 -2.644 1.675 -11.040 1.00 71.41 N ATOM 682 CA GLN A 43 -1.383 1.535 -10.332 1.00 4.20 C ATOM 683 C GLN A 43 -0.235 1.519 -11.322 1.00 14.22 C ATOM 684 O GLN A 43 0.868 1.960 -11.015 1.00 62.20 O ATOM 685 CB GLN A 43 -1.340 0.252 -9.510 1.00 51.25 C ATOM 686 CG GLN A 43 -2.321 0.220 -8.359 1.00 71.23 C ATOM 687 CD GLN A 43 -2.051 -0.929 -7.406 1.00 21.45 C ATOM 688 OE1 GLN A 43 -2.267 -0.812 -6.201 1.00 65.34 O ATOM 689 NE2 GLN A 43 -1.594 -2.054 -7.934 1.00 51.25 N ATOM 0 H GLN A 43 -2.924 0.849 -11.570 1.00 71.41 H new ATOM 0 HA GLN A 43 -1.290 2.385 -9.656 1.00 4.20 H new ATOM 0 HB2 GLN A 43 -1.540 -0.594 -10.167 1.00 51.25 H new ATOM 0 HB3 GLN A 43 -0.332 0.119 -9.117 1.00 51.25 H new ATOM 0 HG2 GLN A 43 -2.269 1.162 -7.813 1.00 71.23 H new ATOM 0 HG3 GLN A 43 -3.335 0.134 -8.750 1.00 71.23 H new ATOM 0 HE21 GLN A 43 -1.426 -2.115 -8.938 1.00 51.25 H new ATOM 0 HE22 GLN A 43 -1.410 -2.860 -7.336 1.00 51.25 H new ATOM 698 N ASP A 44 -0.505 1.007 -12.515 1.00 25.32 N ATOM 699 CA ASP A 44 0.538 0.851 -13.517 1.00 31.30 C ATOM 700 C ASP A 44 0.068 1.278 -14.912 1.00 72.52 C ATOM 701 O ASP A 44 -0.132 0.448 -15.800 1.00 63.15 O ATOM 702 CB ASP A 44 1.023 -0.601 -13.529 1.00 74.33 C ATOM 703 CG ASP A 44 2.110 -0.856 -14.559 1.00 51.34 C ATOM 704 OD1 ASP A 44 3.050 -0.045 -14.652 1.00 73.11 O ATOM 705 OD2 ASP A 44 2.014 -1.864 -15.293 1.00 72.14 O ATOM 0 H ASP A 44 -1.430 0.695 -12.810 1.00 25.32 H new ATOM 0 HA ASP A 44 1.365 1.509 -13.249 1.00 31.30 H new ATOM 0 HB2 ASP A 44 1.400 -0.860 -12.540 1.00 74.33 H new ATOM 0 HB3 ASP A 44 0.178 -1.259 -13.731 1.00 74.33 H new ATOM 710 N PRO A 45 -0.188 2.580 -15.103 1.00 32.55 N ATOM 711 CA PRO A 45 -0.377 3.161 -16.432 1.00 44.53 C ATOM 712 C PRO A 45 0.932 3.717 -16.995 1.00 62.51 C ATOM 713 O PRO A 45 1.006 4.131 -18.153 1.00 62.25 O ATOM 714 CB PRO A 45 -1.353 4.297 -16.156 1.00 73.14 C ATOM 715 CG PRO A 45 -0.973 4.791 -14.800 1.00 10.12 C ATOM 716 CD PRO A 45 -0.404 3.584 -14.043 1.00 42.12 C ATOM 0 HA PRO A 45 -0.727 2.436 -17.167 1.00 44.53 H new ATOM 0 HB2 PRO A 45 -1.268 5.085 -16.904 1.00 73.14 H new ATOM 0 HB3 PRO A 45 -2.385 3.948 -16.177 1.00 73.14 H new ATOM 0 HG2 PRO A 45 -0.234 5.589 -14.870 1.00 10.12 H new ATOM 0 HG3 PRO A 45 -1.838 5.203 -14.280 1.00 10.12 H new ATOM 0 HD2 PRO A 45 0.526 3.833 -13.532 1.00 42.12 H new ATOM 0 HD3 PRO A 45 -1.098 3.223 -13.284 1.00 42.12 H new ATOM 724 N GLY A 46 1.959 3.715 -16.155 1.00 12.34 N ATOM 725 CA GLY A 46 3.222 4.333 -16.495 1.00 53.22 C ATOM 726 C GLY A 46 3.658 5.295 -15.411 1.00 55.24 C ATOM 727 O GLY A 46 3.638 4.948 -14.230 1.00 70.24 O ATOM 0 H GLY A 46 1.935 3.288 -15.229 1.00 12.34 H new ATOM 0 HA2 GLY A 46 3.983 3.565 -16.633 1.00 53.22 H new ATOM 0 HA3 GLY A 46 3.129 4.864 -17.443 1.00 53.22 H new ATOM 731 N GLN A 47 4.038 6.502 -15.796 1.00 70.32 N ATOM 732 CA GLN A 47 4.389 7.528 -14.822 1.00 35.41 C ATOM 733 C GLN A 47 3.132 8.174 -14.250 1.00 43.31 C ATOM 734 O GLN A 47 2.382 8.841 -14.962 1.00 32.11 O ATOM 735 CB GLN A 47 5.294 8.588 -15.447 1.00 1.42 C ATOM 736 CG GLN A 47 6.700 8.088 -15.733 1.00 4.24 C ATOM 737 CD GLN A 47 7.596 9.166 -16.305 1.00 25.25 C ATOM 738 OE1 GLN A 47 8.244 9.904 -15.566 1.00 32.20 O ATOM 739 NE2 GLN A 47 7.641 9.263 -17.623 1.00 22.41 N ATOM 0 H GLN A 47 4.112 6.797 -16.770 1.00 70.32 H new ATOM 0 HA GLN A 47 4.936 7.049 -14.010 1.00 35.41 H new ATOM 0 HB2 GLN A 47 4.844 8.937 -16.377 1.00 1.42 H new ATOM 0 HB3 GLN A 47 5.351 9.447 -14.778 1.00 1.42 H new ATOM 0 HG2 GLN A 47 7.140 7.706 -14.812 1.00 4.24 H new ATOM 0 HG3 GLN A 47 6.650 7.254 -16.432 1.00 4.24 H new ATOM 0 HE21 GLN A 47 7.087 8.630 -18.200 1.00 22.41 H new ATOM 0 HE22 GLN A 47 8.230 9.971 -18.062 1.00 22.41 H new ATOM 748 N VAL A 48 2.907 7.956 -12.963 1.00 11.13 N ATOM 749 CA VAL A 48 1.728 8.468 -12.283 1.00 73.45 C ATOM 750 C VAL A 48 2.079 8.833 -10.841 1.00 33.41 C ATOM 751 O VAL A 48 3.014 8.267 -10.270 1.00 71.33 O ATOM 752 CB VAL A 48 0.586 7.422 -12.317 1.00 73.13 C ATOM 753 CG1 VAL A 48 1.048 6.102 -11.720 1.00 2.25 C ATOM 754 CG2 VAL A 48 -0.663 7.933 -11.608 1.00 13.53 C ATOM 0 H VAL A 48 3.535 7.421 -12.363 1.00 11.13 H new ATOM 0 HA VAL A 48 1.383 9.364 -12.799 1.00 73.45 H new ATOM 0 HB VAL A 48 0.323 7.253 -13.361 1.00 73.13 H new ATOM 0 HG11 VAL A 48 0.231 5.382 -11.754 1.00 2.25 H new ATOM 0 HG12 VAL A 48 1.893 5.719 -12.293 1.00 2.25 H new ATOM 0 HG13 VAL A 48 1.352 6.257 -10.685 1.00 2.25 H new ATOM 0 HG21 VAL A 48 -1.443 7.173 -11.652 1.00 13.53 H new ATOM 0 HG22 VAL A 48 -0.427 8.151 -10.566 1.00 13.53 H new ATOM 0 HG23 VAL A 48 -1.014 8.841 -12.098 1.00 13.53 H new ATOM 764 N GLU A 49 1.360 9.798 -10.273 1.00 33.33 N ATOM 765 CA GLU A 49 1.599 10.234 -8.900 1.00 62.31 C ATOM 766 C GLU A 49 0.531 9.683 -7.966 1.00 44.45 C ATOM 767 O GLU A 49 -0.659 9.995 -8.103 1.00 4.43 O ATOM 768 CB GLU A 49 1.637 11.760 -8.827 1.00 71.14 C ATOM 769 CG GLU A 49 2.015 12.301 -7.460 1.00 41.01 C ATOM 770 CD GLU A 49 2.479 13.738 -7.526 1.00 63.12 C ATOM 771 OE1 GLU A 49 3.471 14.005 -8.229 1.00 21.54 O ATOM 772 OE2 GLU A 49 1.860 14.612 -6.890 1.00 41.13 O ATOM 0 H GLU A 49 0.604 10.295 -10.745 1.00 33.33 H new ATOM 0 HA GLU A 49 2.566 9.845 -8.579 1.00 62.31 H new ATOM 0 HB2 GLU A 49 2.349 12.132 -9.564 1.00 71.14 H new ATOM 0 HB3 GLU A 49 0.658 12.152 -9.104 1.00 71.14 H new ATOM 0 HG2 GLU A 49 1.157 12.228 -6.792 1.00 41.01 H new ATOM 0 HG3 GLU A 49 2.806 11.684 -7.032 1.00 41.01 H new ATOM 779 N TRP A 50 0.955 8.876 -7.007 1.00 43.12 N ATOM 780 CA TRP A 50 0.024 8.198 -6.131 1.00 23.21 C ATOM 781 C TRP A 50 0.721 7.662 -4.897 1.00 1.53 C ATOM 782 O TRP A 50 1.943 7.750 -4.774 1.00 14.42 O ATOM 783 CB TRP A 50 -0.671 7.058 -6.879 1.00 24.00 C ATOM 784 CG TRP A 50 0.242 6.008 -7.446 1.00 50.12 C ATOM 785 CD1 TRP A 50 1.201 6.179 -8.403 1.00 41.03 C ATOM 786 CD2 TRP A 50 0.255 4.614 -7.115 1.00 33.30 C ATOM 787 NE1 TRP A 50 1.817 4.982 -8.673 1.00 75.02 N ATOM 788 CE2 TRP A 50 1.257 4.007 -7.896 1.00 50.42 C ATOM 789 CE3 TRP A 50 -0.475 3.825 -6.225 1.00 51.21 C ATOM 790 CZ2 TRP A 50 1.538 2.647 -7.819 1.00 60.05 C ATOM 791 CZ3 TRP A 50 -0.194 2.476 -6.151 1.00 1.15 C ATOM 792 CH2 TRP A 50 0.809 1.900 -6.940 1.00 64.30 C ATOM 0 H TRP A 50 1.937 8.677 -6.818 1.00 43.12 H new ATOM 0 HA TRP A 50 -0.723 8.923 -5.809 1.00 23.21 H new ATOM 0 HB2 TRP A 50 -1.374 6.576 -6.200 1.00 24.00 H new ATOM 0 HB3 TRP A 50 -1.257 7.484 -7.694 1.00 24.00 H new ATOM 0 HD1 TRP A 50 1.440 7.119 -8.878 1.00 41.03 H new ATOM 0 HE1 TRP A 50 2.571 4.843 -9.345 1.00 75.02 H new ATOM 0 HE3 TRP A 50 -1.245 4.262 -5.606 1.00 51.21 H new ATOM 0 HZ2 TRP A 50 2.305 2.198 -8.433 1.00 60.05 H new ATOM 0 HZ3 TRP A 50 -0.758 1.853 -5.472 1.00 1.15 H new ATOM 0 HH2 TRP A 50 1.010 0.843 -6.851 1.00 64.30 H new ATOM 803 N PHE A 51 -0.061 7.130 -3.975 1.00 65.15 N ATOM 804 CA PHE A 51 0.488 6.496 -2.800 1.00 61.30 C ATOM 805 C PHE A 51 -0.590 5.717 -2.064 1.00 1.53 C ATOM 806 O PHE A 51 -1.786 5.960 -2.242 1.00 44.30 O ATOM 807 CB PHE A 51 1.147 7.529 -1.881 1.00 73.25 C ATOM 808 CG PHE A 51 0.201 8.435 -1.146 1.00 71.24 C ATOM 809 CD1 PHE A 51 -0.194 9.648 -1.689 1.00 55.51 C ATOM 810 CD2 PHE A 51 -0.267 8.086 0.109 1.00 13.30 C ATOM 811 CE1 PHE A 51 -1.040 10.489 -0.993 1.00 61.35 C ATOM 812 CE2 PHE A 51 -1.113 8.917 0.806 1.00 72.44 C ATOM 813 CZ PHE A 51 -1.500 10.124 0.258 1.00 2.24 C ATOM 0 H PHE A 51 -1.080 7.127 -4.022 1.00 65.15 H new ATOM 0 HA PHE A 51 1.259 5.793 -3.116 1.00 61.30 H new ATOM 0 HB2 PHE A 51 1.759 7.001 -1.150 1.00 73.25 H new ATOM 0 HB3 PHE A 51 1.821 8.143 -2.478 1.00 73.25 H new ATOM 0 HD1 PHE A 51 0.163 9.938 -2.666 1.00 55.51 H new ATOM 0 HD2 PHE A 51 0.037 7.147 0.548 1.00 13.30 H new ATOM 0 HE1 PHE A 51 -1.342 11.431 -1.426 1.00 61.35 H new ATOM 0 HE2 PHE A 51 -1.474 8.626 1.781 1.00 72.44 H new ATOM 0 HZ PHE A 51 -2.160 10.781 0.805 1.00 2.24 H new ATOM 823 N VAL A 52 -0.169 4.764 -1.251 1.00 31.33 N ATOM 824 CA VAL A 52 -1.113 3.944 -0.518 1.00 24.31 C ATOM 825 C VAL A 52 -0.726 3.853 0.946 1.00 10.42 C ATOM 826 O VAL A 52 0.432 4.063 1.313 1.00 4.55 O ATOM 827 CB VAL A 52 -1.215 2.517 -1.105 1.00 53.05 C ATOM 828 CG1 VAL A 52 -1.360 2.568 -2.616 1.00 74.02 C ATOM 829 CG2 VAL A 52 -0.015 1.674 -0.711 1.00 32.32 C ATOM 0 H VAL A 52 0.812 4.541 -1.084 1.00 31.33 H new ATOM 0 HA VAL A 52 -2.086 4.427 -0.610 1.00 24.31 H new ATOM 0 HB VAL A 52 -2.106 2.047 -0.688 1.00 53.05 H new ATOM 0 HG11 VAL A 52 -1.430 1.554 -3.009 1.00 74.02 H new ATOM 0 HG12 VAL A 52 -2.262 3.121 -2.876 1.00 74.02 H new ATOM 0 HG13 VAL A 52 -0.492 3.065 -3.048 1.00 74.02 H new ATOM 0 HG21 VAL A 52 -0.115 0.676 -1.138 1.00 32.32 H new ATOM 0 HG22 VAL A 52 0.896 2.140 -1.087 1.00 32.32 H new ATOM 0 HG23 VAL A 52 0.037 1.600 0.375 1.00 32.32 H new ATOM 839 N LEU A 53 -1.702 3.548 1.775 1.00 33.33 N ATOM 840 CA LEU A 53 -1.463 3.343 3.188 1.00 73.42 C ATOM 841 C LEU A 53 -2.353 2.241 3.721 1.00 3.41 C ATOM 842 O LEU A 53 -3.286 1.797 3.049 1.00 52.45 O ATOM 843 CB LEU A 53 -1.645 4.639 4.016 1.00 12.22 C ATOM 844 CG LEU A 53 -2.842 5.566 3.704 1.00 51.42 C ATOM 845 CD1 LEU A 53 -2.617 6.340 2.418 1.00 21.21 C ATOM 846 CD2 LEU A 53 -4.154 4.802 3.636 1.00 2.11 C ATOM 0 H LEU A 53 -2.675 3.436 1.492 1.00 33.33 H new ATOM 0 HA LEU A 53 -0.420 3.043 3.295 1.00 73.42 H new ATOM 0 HB2 LEU A 53 -1.716 4.352 5.065 1.00 12.22 H new ATOM 0 HB3 LEU A 53 -0.735 5.229 3.908 1.00 12.22 H new ATOM 0 HG LEU A 53 -2.913 6.274 4.529 1.00 51.42 H new ATOM 0 HD11 LEU A 53 -3.476 6.983 2.225 1.00 21.21 H new ATOM 0 HD12 LEU A 53 -1.720 6.952 2.514 1.00 21.21 H new ATOM 0 HD13 LEU A 53 -2.494 5.642 1.590 1.00 21.21 H new ATOM 0 HD21 LEU A 53 -4.967 5.494 3.415 1.00 2.11 H new ATOM 0 HD22 LEU A 53 -4.096 4.048 2.851 1.00 2.11 H new ATOM 0 HD23 LEU A 53 -4.342 4.316 4.593 1.00 2.11 H new ATOM 858 N ASN A 54 -2.037 1.776 4.911 1.00 3.24 N ATOM 859 CA ASN A 54 -2.897 0.832 5.604 1.00 22.43 C ATOM 860 C ASN A 54 -4.170 1.542 6.057 1.00 64.45 C ATOM 861 O ASN A 54 -4.185 2.766 6.196 1.00 55.51 O ATOM 862 CB ASN A 54 -2.175 0.237 6.811 1.00 52.40 C ATOM 863 CG ASN A 54 -2.104 1.208 7.969 1.00 52.32 C ATOM 864 OD1 ASN A 54 -2.979 1.220 8.834 1.00 60.13 O ATOM 865 ND2 ASN A 54 -1.065 2.032 7.991 1.00 31.20 N ATOM 0 H ASN A 54 -1.192 2.034 5.421 1.00 3.24 H new ATOM 0 HA ASN A 54 -3.155 0.022 4.922 1.00 22.43 H new ATOM 0 HB2 ASN A 54 -2.690 -0.669 7.130 1.00 52.40 H new ATOM 0 HB3 ASN A 54 -1.166 -0.055 6.521 1.00 52.40 H new ATOM 0 HD21 ASN A 54 -0.968 2.711 8.746 1.00 31.20 H new ATOM 0 HD22 ASN A 54 -0.363 1.987 7.253 1.00 31.20 H new ATOM 872 N ALA A 55 -5.235 0.784 6.279 1.00 25.41 N ATOM 873 CA ALA A 55 -6.492 1.369 6.726 1.00 54.21 C ATOM 874 C ALA A 55 -6.438 1.684 8.220 1.00 41.43 C ATOM 875 O ALA A 55 -6.318 2.847 8.608 1.00 33.31 O ATOM 876 CB ALA A 55 -7.657 0.448 6.406 1.00 2.22 C ATOM 0 H ALA A 55 -5.255 -0.229 6.158 1.00 25.41 H new ATOM 0 HA ALA A 55 -6.645 2.305 6.189 1.00 54.21 H new ATOM 0 HB1 ALA A 55 -8.586 0.904 6.748 1.00 2.22 H new ATOM 0 HB2 ALA A 55 -7.708 0.286 5.329 1.00 2.22 H new ATOM 0 HB3 ALA A 55 -7.515 -0.508 6.911 1.00 2.22 H new ATOM 882 N GLU A 56 -6.530 0.652 9.057 1.00 30.45 N ATOM 883 CA GLU A 56 -6.397 0.840 10.498 1.00 55.13 C ATOM 884 C GLU A 56 -6.156 -0.490 11.209 1.00 43.04 C ATOM 885 O GLU A 56 -5.142 -0.672 11.884 1.00 30.15 O ATOM 886 CB GLU A 56 -7.648 1.514 11.060 1.00 43.42 C ATOM 887 CG GLU A 56 -7.503 1.970 12.499 1.00 42.25 C ATOM 888 CD GLU A 56 -8.731 2.696 12.996 1.00 12.21 C ATOM 889 OE1 GLU A 56 -8.849 3.913 12.743 1.00 23.41 O ATOM 890 OE2 GLU A 56 -9.587 2.056 13.639 1.00 23.35 O ATOM 0 H GLU A 56 -6.694 -0.312 8.766 1.00 30.45 H new ATOM 0 HA GLU A 56 -5.534 1.481 10.675 1.00 55.13 H new ATOM 0 HB2 GLU A 56 -7.896 2.375 10.439 1.00 43.42 H new ATOM 0 HB3 GLU A 56 -8.486 0.820 10.991 1.00 43.42 H new ATOM 0 HG2 GLU A 56 -7.313 1.105 13.135 1.00 42.25 H new ATOM 0 HG3 GLU A 56 -6.636 2.625 12.585 1.00 42.25 H new ATOM 897 N SER A 57 -7.079 -1.416 11.033 1.00 64.31 N ATOM 898 CA SER A 57 -7.025 -2.702 11.707 1.00 21.52 C ATOM 899 C SER A 57 -6.508 -3.774 10.753 1.00 41.25 C ATOM 900 O SER A 57 -6.737 -4.967 10.958 1.00 31.42 O ATOM 901 CB SER A 57 -8.421 -3.077 12.205 1.00 34.35 C ATOM 902 OG SER A 57 -9.338 -2.014 11.989 1.00 40.13 O ATOM 0 H SER A 57 -7.886 -1.300 10.420 1.00 64.31 H new ATOM 0 HA SER A 57 -6.345 -2.632 12.556 1.00 21.52 H new ATOM 0 HB2 SER A 57 -8.767 -3.972 11.689 1.00 34.35 H new ATOM 0 HB3 SER A 57 -8.380 -3.317 13.267 1.00 34.35 H new ATOM 0 HG SER A 57 -9.802 -2.150 11.136 1.00 40.13 H new ATOM 908 N ASN A 58 -5.779 -3.337 9.724 1.00 63.01 N ATOM 909 CA ASN A 58 -5.302 -4.228 8.663 1.00 55.32 C ATOM 910 C ASN A 58 -4.356 -5.312 9.193 1.00 64.15 C ATOM 911 O ASN A 58 -3.968 -6.228 8.468 1.00 22.23 O ATOM 912 CB ASN A 58 -4.615 -3.427 7.546 1.00 23.51 C ATOM 913 CG ASN A 58 -3.220 -2.929 7.899 1.00 44.41 C ATOM 914 OD1 ASN A 58 -2.352 -2.869 7.036 1.00 62.04 O ATOM 915 ND2 ASN A 58 -2.993 -2.543 9.147 1.00 72.15 N ATOM 0 H ASN A 58 -5.504 -2.362 9.602 1.00 63.01 H new ATOM 0 HA ASN A 58 -6.180 -4.730 8.256 1.00 55.32 H new ATOM 0 HB2 ASN A 58 -4.551 -4.051 6.655 1.00 23.51 H new ATOM 0 HB3 ASN A 58 -5.240 -2.571 7.292 1.00 23.51 H new ATOM 0 HD21 ASN A 58 -2.075 -2.184 9.411 1.00 72.15 H new ATOM 0 HD22 ASN A 58 -3.736 -2.605 9.843 1.00 72.15 H new ATOM 922 N VAL A 59 -4.026 -5.217 10.467 1.00 71.22 N ATOM 923 CA VAL A 59 -3.135 -6.161 11.121 1.00 22.34 C ATOM 924 C VAL A 59 -3.785 -7.543 11.226 1.00 73.31 C ATOM 925 O VAL A 59 -3.101 -8.561 11.332 1.00 24.43 O ATOM 926 CB VAL A 59 -2.786 -5.666 12.535 1.00 35.42 C ATOM 927 CG1 VAL A 59 -1.632 -6.457 13.121 1.00 15.32 C ATOM 928 CG2 VAL A 59 -2.470 -4.180 12.525 1.00 43.30 C ATOM 0 H VAL A 59 -4.369 -4.479 11.082 1.00 71.22 H new ATOM 0 HA VAL A 59 -2.229 -6.238 10.520 1.00 22.34 H new ATOM 0 HB VAL A 59 -3.658 -5.825 13.169 1.00 35.42 H new ATOM 0 HG11 VAL A 59 -1.407 -6.086 14.121 1.00 15.32 H new ATOM 0 HG12 VAL A 59 -1.905 -7.511 13.178 1.00 15.32 H new ATOM 0 HG13 VAL A 59 -0.754 -6.344 12.486 1.00 15.32 H new ATOM 0 HG21 VAL A 59 -2.226 -3.853 13.536 1.00 43.30 H new ATOM 0 HG22 VAL A 59 -1.620 -3.993 11.868 1.00 43.30 H new ATOM 0 HG23 VAL A 59 -3.336 -3.626 12.164 1.00 43.30 H new ATOM 938 N GLU A 60 -5.110 -7.574 11.181 1.00 2.13 N ATOM 939 CA GLU A 60 -5.842 -8.821 11.334 1.00 60.41 C ATOM 940 C GLU A 60 -6.345 -9.281 9.979 1.00 14.12 C ATOM 941 O GLU A 60 -6.974 -10.326 9.852 1.00 44.51 O ATOM 942 CB GLU A 60 -7.038 -8.625 12.271 1.00 21.21 C ATOM 943 CG GLU A 60 -6.682 -8.039 13.626 1.00 1.23 C ATOM 944 CD GLU A 60 -7.915 -7.756 14.459 1.00 34.24 C ATOM 945 OE1 GLU A 60 -8.497 -6.661 14.320 1.00 71.21 O ATOM 946 OE2 GLU A 60 -8.322 -8.638 15.243 1.00 14.24 O ATOM 0 H GLU A 60 -5.697 -6.752 11.040 1.00 2.13 H new ATOM 0 HA GLU A 60 -5.174 -9.570 11.759 1.00 60.41 H new ATOM 0 HB2 GLU A 60 -7.762 -7.971 11.785 1.00 21.21 H new ATOM 0 HB3 GLU A 60 -7.528 -9.587 12.422 1.00 21.21 H new ATOM 0 HG2 GLU A 60 -6.033 -8.731 14.162 1.00 1.23 H new ATOM 0 HG3 GLU A 60 -6.118 -7.117 13.486 1.00 1.23 H new ATOM 953 N VAL A 61 -6.044 -8.484 8.964 1.00 22.12 N ATOM 954 CA VAL A 61 -6.667 -8.652 7.665 1.00 64.31 C ATOM 955 C VAL A 61 -5.671 -9.152 6.624 1.00 43.02 C ATOM 956 O VAL A 61 -6.021 -9.921 5.717 1.00 41.23 O ATOM 957 CB VAL A 61 -7.299 -7.315 7.190 1.00 20.30 C ATOM 958 CG1 VAL A 61 -7.923 -6.574 8.369 1.00 73.23 C ATOM 959 CG2 VAL A 61 -6.300 -6.422 6.458 1.00 51.44 C ATOM 0 H VAL A 61 -5.374 -7.717 9.017 1.00 22.12 H new ATOM 0 HA VAL A 61 -7.449 -9.403 7.772 1.00 64.31 H new ATOM 0 HB VAL A 61 -8.080 -7.566 6.473 1.00 20.30 H new ATOM 0 HG11 VAL A 61 -8.362 -5.639 8.020 1.00 73.23 H new ATOM 0 HG12 VAL A 61 -8.699 -7.194 8.819 1.00 73.23 H new ATOM 0 HG13 VAL A 61 -7.155 -6.359 9.112 1.00 73.23 H new ATOM 0 HG21 VAL A 61 -6.794 -5.501 6.148 1.00 51.44 H new ATOM 0 HG22 VAL A 61 -5.471 -6.182 7.123 1.00 51.44 H new ATOM 0 HG23 VAL A 61 -5.921 -6.944 5.579 1.00 51.44 H new ATOM 969 N ASP A 62 -4.425 -8.751 6.795 1.00 13.33 N ATOM 970 CA ASP A 62 -3.429 -8.877 5.753 1.00 53.22 C ATOM 971 C ASP A 62 -2.244 -9.709 6.249 1.00 0.35 C ATOM 972 O ASP A 62 -1.511 -9.287 7.141 1.00 71.21 O ATOM 973 CB ASP A 62 -2.995 -7.462 5.354 1.00 71.10 C ATOM 974 CG ASP A 62 -2.213 -7.398 4.052 1.00 70.04 C ATOM 975 OD1 ASP A 62 -1.097 -7.949 3.993 1.00 35.14 O ATOM 976 OD2 ASP A 62 -2.696 -6.749 3.090 1.00 72.34 O ATOM 0 H ASP A 62 -4.078 -8.331 7.657 1.00 13.33 H new ATOM 0 HA ASP A 62 -3.838 -9.394 4.885 1.00 53.22 H new ATOM 0 HB2 ASP A 62 -3.881 -6.833 5.265 1.00 71.10 H new ATOM 0 HB3 ASP A 62 -2.385 -7.042 6.153 1.00 71.10 H new ATOM 981 N LEU A 63 -2.083 -10.904 5.685 1.00 50.35 N ATOM 982 CA LEU A 63 -1.086 -11.861 6.173 1.00 51.03 C ATOM 983 C LEU A 63 0.169 -11.864 5.299 1.00 61.23 C ATOM 984 O LEU A 63 1.197 -11.311 5.675 1.00 24.33 O ATOM 985 CB LEU A 63 -1.688 -13.272 6.242 1.00 71.42 C ATOM 986 CG LEU A 63 -2.624 -13.556 7.432 1.00 51.42 C ATOM 987 CD1 LEU A 63 -3.806 -12.600 7.462 1.00 74.13 C ATOM 988 CD2 LEU A 63 -3.121 -14.988 7.370 1.00 63.43 C ATOM 0 H LEU A 63 -2.629 -11.235 4.890 1.00 50.35 H new ATOM 0 HA LEU A 63 -0.793 -11.549 7.175 1.00 51.03 H new ATOM 0 HB2 LEU A 63 -2.241 -13.454 5.320 1.00 71.42 H new ATOM 0 HB3 LEU A 63 -0.870 -13.992 6.270 1.00 71.42 H new ATOM 0 HG LEU A 63 -2.051 -13.405 8.347 1.00 51.42 H new ATOM 0 HD11 LEU A 63 -4.442 -12.834 8.316 1.00 74.13 H new ATOM 0 HD12 LEU A 63 -3.443 -11.576 7.549 1.00 74.13 H new ATOM 0 HD13 LEU A 63 -4.382 -12.704 6.542 1.00 74.13 H new ATOM 0 HD21 LEU A 63 -3.782 -15.181 8.215 1.00 63.43 H new ATOM 0 HD22 LEU A 63 -3.667 -15.144 6.439 1.00 63.43 H new ATOM 0 HD23 LEU A 63 -2.272 -15.670 7.411 1.00 63.43 H new ATOM 1000 N THR A 64 0.090 -12.505 4.140 1.00 23.32 N ATOM 1001 CA THR A 64 1.187 -12.490 3.174 1.00 0.21 C ATOM 1002 C THR A 64 0.768 -11.627 1.981 1.00 53.33 C ATOM 1003 O THR A 64 1.423 -11.556 0.925 1.00 41.22 O ATOM 1004 CB THR A 64 1.540 -13.925 2.724 1.00 20.20 C ATOM 1005 OG1 THR A 64 1.626 -14.779 3.873 1.00 24.13 O ATOM 1006 CG2 THR A 64 2.867 -13.968 1.979 1.00 21.30 C ATOM 0 H THR A 64 -0.724 -13.044 3.843 1.00 23.32 H new ATOM 0 HA THR A 64 2.081 -12.068 3.634 1.00 0.21 H new ATOM 0 HB THR A 64 0.754 -14.266 2.050 1.00 20.20 H new ATOM 0 HG1 THR A 64 0.832 -15.352 3.914 1.00 24.13 H new ATOM 0 HG21 THR A 64 3.082 -14.993 1.678 1.00 21.30 H new ATOM 0 HG22 THR A 64 2.808 -13.335 1.094 1.00 21.30 H new ATOM 0 HG23 THR A 64 3.662 -13.607 2.631 1.00 21.30 H new ATOM 1014 N ALA A 65 -0.337 -10.933 2.190 1.00 44.22 N ATOM 1015 CA ALA A 65 -0.904 -10.075 1.180 1.00 41.13 C ATOM 1016 C ALA A 65 0.003 -8.881 0.916 1.00 51.34 C ATOM 1017 O ALA A 65 -0.095 -8.255 -0.137 1.00 71.11 O ATOM 1018 CB ALA A 65 -2.289 -9.629 1.605 1.00 54.33 C ATOM 0 H ALA A 65 -0.861 -10.952 3.065 1.00 44.22 H new ATOM 0 HA ALA A 65 -0.991 -10.633 0.248 1.00 41.13 H new ATOM 0 HB1 ALA A 65 -2.714 -8.981 0.839 1.00 54.33 H new ATOM 0 HB2 ALA A 65 -2.928 -10.502 1.737 1.00 54.33 H new ATOM 0 HB3 ALA A 65 -2.223 -9.083 2.546 1.00 54.33 H new ATOM 1024 N LEU A 66 0.878 -8.564 1.872 1.00 33.01 N ATOM 1025 CA LEU A 66 1.894 -7.542 1.651 1.00 32.24 C ATOM 1026 C LEU A 66 3.045 -8.079 0.826 1.00 54.13 C ATOM 1027 O LEU A 66 3.799 -7.318 0.245 1.00 63.05 O ATOM 1028 CB LEU A 66 2.438 -6.895 2.945 1.00 52.20 C ATOM 1029 CG LEU A 66 3.006 -7.787 4.079 1.00 13.21 C ATOM 1030 CD1 LEU A 66 1.904 -8.545 4.793 1.00 72.42 C ATOM 1031 CD2 LEU A 66 4.070 -8.755 3.582 1.00 42.35 C ATOM 0 H LEU A 66 0.902 -8.996 2.796 1.00 33.01 H new ATOM 0 HA LEU A 66 1.380 -6.753 1.101 1.00 32.24 H new ATOM 0 HB2 LEU A 66 3.226 -6.201 2.654 1.00 52.20 H new ATOM 0 HB3 LEU A 66 1.631 -6.300 3.374 1.00 52.20 H new ATOM 0 HG LEU A 66 3.482 -7.110 4.788 1.00 13.21 H new ATOM 0 HD11 LEU A 66 2.337 -9.160 5.582 1.00 72.42 H new ATOM 0 HD12 LEU A 66 1.200 -7.837 5.231 1.00 72.42 H new ATOM 0 HD13 LEU A 66 1.381 -9.183 4.081 1.00 72.42 H new ATOM 0 HD21 LEU A 66 4.434 -9.355 4.416 1.00 42.35 H new ATOM 0 HD22 LEU A 66 3.641 -9.410 2.824 1.00 42.35 H new ATOM 0 HD23 LEU A 66 4.899 -8.194 3.150 1.00 42.35 H new ATOM 1043 N ASP A 67 3.204 -9.389 0.785 1.00 43.43 N ATOM 1044 CA ASP A 67 4.211 -9.954 -0.083 1.00 63.54 C ATOM 1045 C ASP A 67 3.803 -9.628 -1.497 1.00 10.30 C ATOM 1046 O ASP A 67 4.583 -9.075 -2.272 1.00 63.24 O ATOM 1047 CB ASP A 67 4.351 -11.461 0.112 1.00 64.23 C ATOM 1048 CG ASP A 67 5.354 -12.073 -0.842 1.00 44.05 C ATOM 1049 OD1 ASP A 67 6.574 -11.958 -0.590 1.00 21.03 O ATOM 1050 OD2 ASP A 67 4.929 -12.675 -1.848 1.00 32.12 O ATOM 0 H ASP A 67 2.664 -10.063 1.328 1.00 43.43 H new ATOM 0 HA ASP A 67 5.188 -9.530 0.150 1.00 63.54 H new ATOM 0 HB2 ASP A 67 4.657 -11.665 1.138 1.00 64.23 H new ATOM 0 HB3 ASP A 67 3.380 -11.935 -0.031 1.00 64.23 H new ATOM 1055 N ALA A 68 2.542 -9.913 -1.795 1.00 2.22 N ATOM 1056 CA ALA A 68 1.960 -9.517 -3.071 1.00 11.24 C ATOM 1057 C ALA A 68 1.963 -7.991 -3.214 1.00 73.50 C ATOM 1058 O ALA A 68 2.510 -7.438 -4.176 1.00 1.02 O ATOM 1059 CB ALA A 68 0.543 -10.055 -3.192 1.00 62.15 C ATOM 0 H ALA A 68 1.906 -10.414 -1.175 1.00 2.22 H new ATOM 0 HA ALA A 68 2.566 -9.939 -3.873 1.00 11.24 H new ATOM 0 HB1 ALA A 68 0.119 -9.752 -4.150 1.00 62.15 H new ATOM 0 HB2 ALA A 68 0.560 -11.143 -3.131 1.00 62.15 H new ATOM 0 HB3 ALA A 68 -0.068 -9.656 -2.382 1.00 62.15 H new ATOM 1065 N LEU A 69 1.377 -7.326 -2.219 1.00 0.23 N ATOM 1066 CA LEU A 69 1.215 -5.873 -2.217 1.00 13.22 C ATOM 1067 C LEU A 69 2.541 -5.147 -2.405 1.00 73.21 C ATOM 1068 O LEU A 69 2.741 -4.459 -3.403 1.00 70.31 O ATOM 1069 CB LEU A 69 0.576 -5.424 -0.898 1.00 70.32 C ATOM 1070 CG LEU A 69 0.386 -3.916 -0.730 1.00 41.22 C ATOM 1071 CD1 LEU A 69 -0.648 -3.397 -1.714 1.00 12.43 C ATOM 1072 CD2 LEU A 69 -0.023 -3.595 0.697 1.00 4.23 C ATOM 0 H LEU A 69 1.000 -7.782 -1.388 1.00 0.23 H new ATOM 0 HA LEU A 69 0.570 -5.617 -3.058 1.00 13.22 H new ATOM 0 HB2 LEU A 69 -0.397 -5.906 -0.805 1.00 70.32 H new ATOM 0 HB3 LEU A 69 1.192 -5.787 -0.075 1.00 70.32 H new ATOM 0 HG LEU A 69 1.333 -3.419 -0.939 1.00 41.22 H new ATOM 0 HD11 LEU A 69 -0.770 -2.322 -1.580 1.00 12.43 H new ATOM 0 HD12 LEU A 69 -0.316 -3.600 -2.732 1.00 12.43 H new ATOM 0 HD13 LEU A 69 -1.601 -3.895 -1.537 1.00 12.43 H new ATOM 0 HD21 LEU A 69 -0.155 -2.518 0.804 1.00 4.23 H new ATOM 0 HD22 LEU A 69 -0.960 -4.101 0.929 1.00 4.23 H new ATOM 0 HD23 LEU A 69 0.753 -3.935 1.383 1.00 4.23 H new ATOM 1084 N ASP A 70 3.438 -5.309 -1.449 1.00 54.22 N ATOM 1085 CA ASP A 70 4.664 -4.531 -1.404 1.00 24.20 C ATOM 1086 C ASP A 70 5.630 -4.892 -2.517 1.00 10.40 C ATOM 1087 O ASP A 70 6.420 -4.045 -2.936 1.00 51.10 O ATOM 1088 CB ASP A 70 5.361 -4.670 -0.058 1.00 21.12 C ATOM 1089 CG ASP A 70 4.657 -3.889 1.036 1.00 4.03 C ATOM 1090 OD1 ASP A 70 3.653 -4.391 1.580 1.00 2.31 O ATOM 1091 OD2 ASP A 70 5.109 -2.767 1.351 1.00 72.45 O ATOM 0 H ASP A 70 3.339 -5.979 -0.686 1.00 54.22 H new ATOM 0 HA ASP A 70 4.363 -3.493 -1.548 1.00 24.20 H new ATOM 0 HB2 ASP A 70 5.404 -5.723 0.220 1.00 21.12 H new ATOM 0 HB3 ASP A 70 6.390 -4.322 -0.146 1.00 21.12 H new ATOM 1096 N GLN A 71 5.591 -6.130 -3.006 1.00 31.13 N ATOM 1097 CA GLN A 71 6.461 -6.479 -4.116 1.00 75.32 C ATOM 1098 C GLN A 71 6.067 -5.661 -5.337 1.00 44.31 C ATOM 1099 O GLN A 71 6.928 -5.111 -6.019 1.00 35.04 O ATOM 1100 CB GLN A 71 6.441 -7.980 -4.430 1.00 61.30 C ATOM 1101 CG GLN A 71 5.319 -8.420 -5.355 1.00 13.21 C ATOM 1102 CD GLN A 71 5.229 -9.921 -5.479 1.00 51.42 C ATOM 1103 OE1 GLN A 71 5.837 -10.530 -6.357 1.00 42.43 O ATOM 1104 NE2 GLN A 71 4.486 -10.522 -4.573 1.00 41.00 N ATOM 0 H GLN A 71 4.989 -6.880 -2.664 1.00 31.13 H new ATOM 0 HA GLN A 71 7.486 -6.243 -3.830 1.00 75.32 H new ATOM 0 HB2 GLN A 71 7.394 -8.256 -4.881 1.00 61.30 H new ATOM 0 HB3 GLN A 71 6.359 -8.532 -3.494 1.00 61.30 H new ATOM 0 HG2 GLN A 71 4.371 -8.032 -4.982 1.00 13.21 H new ATOM 0 HG3 GLN A 71 5.475 -7.986 -6.342 1.00 13.21 H new ATOM 0 HE21 GLN A 71 4.001 -9.972 -3.864 1.00 41.00 H new ATOM 0 HE22 GLN A 71 4.396 -11.538 -4.580 1.00 41.00 H new ATOM 1113 N LEU A 72 4.757 -5.539 -5.589 1.00 41.12 N ATOM 1114 CA LEU A 72 4.295 -4.728 -6.704 1.00 74.34 C ATOM 1115 C LEU A 72 4.320 -3.251 -6.325 1.00 70.13 C ATOM 1116 O LEU A 72 4.338 -2.382 -7.191 1.00 75.03 O ATOM 1117 CB LEU A 72 2.903 -5.175 -7.198 1.00 11.35 C ATOM 1118 CG LEU A 72 1.745 -5.089 -6.195 1.00 44.02 C ATOM 1119 CD1 LEU A 72 1.166 -3.679 -6.140 1.00 31.42 C ATOM 1120 CD2 LEU A 72 0.660 -6.090 -6.558 1.00 24.53 C ATOM 0 H LEU A 72 4.018 -5.984 -5.044 1.00 41.12 H new ATOM 0 HA LEU A 72 4.978 -4.874 -7.541 1.00 74.34 H new ATOM 0 HB2 LEU A 72 2.643 -4.572 -8.068 1.00 11.35 H new ATOM 0 HB3 LEU A 72 2.980 -6.208 -7.538 1.00 11.35 H new ATOM 0 HG LEU A 72 2.136 -5.331 -5.207 1.00 44.02 H new ATOM 0 HD11 LEU A 72 0.347 -3.650 -5.421 1.00 31.42 H new ATOM 0 HD12 LEU A 72 1.943 -2.978 -5.834 1.00 31.42 H new ATOM 0 HD13 LEU A 72 0.793 -3.400 -7.126 1.00 31.42 H new ATOM 0 HD21 LEU A 72 -0.156 -6.019 -5.839 1.00 24.53 H new ATOM 0 HD22 LEU A 72 0.283 -5.872 -7.557 1.00 24.53 H new ATOM 0 HD23 LEU A 72 1.074 -7.098 -6.539 1.00 24.53 H new ATOM 1132 N ARG A 73 4.331 -2.968 -5.025 1.00 44.41 N ATOM 1133 CA ARG A 73 4.502 -1.600 -4.556 1.00 74.55 C ATOM 1134 C ARG A 73 5.841 -1.069 -5.000 1.00 62.30 C ATOM 1135 O ARG A 73 5.906 -0.229 -5.879 1.00 14.41 O ATOM 1136 CB ARG A 73 4.399 -1.490 -3.036 1.00 3.41 C ATOM 1137 CG ARG A 73 2.977 -1.536 -2.524 1.00 54.23 C ATOM 1138 CD ARG A 73 2.161 -0.411 -3.126 1.00 75.41 C ATOM 1139 NE ARG A 73 0.740 -0.547 -2.837 1.00 51.11 N ATOM 1140 CZ ARG A 73 -0.196 -0.582 -3.778 1.00 14.03 C ATOM 1141 NH1 ARG A 73 0.151 -0.554 -5.055 1.00 35.42 N ATOM 1142 NH2 ARG A 73 -1.478 -0.654 -3.450 1.00 62.24 N ATOM 0 H ARG A 73 4.224 -3.662 -4.285 1.00 44.41 H new ATOM 0 HA ARG A 73 3.695 -1.009 -4.990 1.00 74.55 H new ATOM 0 HB2 ARG A 73 4.967 -2.302 -2.581 1.00 3.41 H new ATOM 0 HB3 ARG A 73 4.863 -0.557 -2.715 1.00 3.41 H new ATOM 0 HG2 ARG A 73 2.525 -2.496 -2.774 1.00 54.23 H new ATOM 0 HG3 ARG A 73 2.973 -1.455 -1.437 1.00 54.23 H new ATOM 0 HD2 ARG A 73 2.519 0.543 -2.739 1.00 75.41 H new ATOM 0 HD3 ARG A 73 2.311 -0.393 -4.206 1.00 75.41 H new ATOM 0 HE ARG A 73 0.449 -0.619 -1.862 1.00 51.11 H new ATOM 0 HH11 ARG A 73 1.136 -0.506 -5.315 1.00 35.42 H new ATOM 0 HH12 ARG A 73 -0.567 -0.581 -5.779 1.00 35.42 H new ATOM 0 HH21 ARG A 73 -1.752 -0.683 -2.468 1.00 62.24 H new ATOM 0 HH22 ARG A 73 -2.190 -0.680 -4.180 1.00 62.24 H new ATOM 1156 N THR A 74 6.903 -1.607 -4.421 1.00 60.10 N ATOM 1157 CA THR A 74 8.242 -1.112 -4.683 1.00 5.44 C ATOM 1158 C THR A 74 8.609 -1.275 -6.160 1.00 22.34 C ATOM 1159 O THR A 74 9.306 -0.436 -6.729 1.00 11.24 O ATOM 1160 CB THR A 74 9.286 -1.824 -3.792 1.00 23.20 C ATOM 1161 OG1 THR A 74 10.483 -1.050 -3.741 1.00 63.32 O ATOM 1162 CG2 THR A 74 9.609 -3.220 -4.309 1.00 33.53 C ATOM 0 H THR A 74 6.862 -2.388 -3.766 1.00 60.10 H new ATOM 0 HA THR A 74 8.251 -0.050 -4.439 1.00 5.44 H new ATOM 0 HB THR A 74 8.859 -1.922 -2.794 1.00 23.20 H new ATOM 0 HG1 THR A 74 10.661 -0.783 -2.815 1.00 63.32 H new ATOM 0 HG21 THR A 74 10.346 -3.688 -3.657 1.00 33.53 H new ATOM 0 HG22 THR A 74 8.701 -3.823 -4.321 1.00 33.53 H new ATOM 0 HG23 THR A 74 10.012 -3.150 -5.319 1.00 33.53 H new ATOM 1170 N GLU A 75 8.103 -2.336 -6.785 1.00 72.45 N ATOM 1171 CA GLU A 75 8.411 -2.625 -8.179 1.00 22.24 C ATOM 1172 C GLU A 75 7.871 -1.531 -9.093 1.00 2.43 C ATOM 1173 O GLU A 75 8.537 -1.112 -10.037 1.00 72.11 O ATOM 1174 CB GLU A 75 7.828 -3.983 -8.569 1.00 21.41 C ATOM 1175 CG GLU A 75 8.177 -4.418 -9.985 1.00 64.32 C ATOM 1176 CD GLU A 75 7.683 -5.814 -10.306 1.00 50.50 C ATOM 1177 OE1 GLU A 75 6.538 -5.954 -10.779 1.00 40.51 O ATOM 1178 OE2 GLU A 75 8.445 -6.781 -10.102 1.00 75.33 O ATOM 0 H GLU A 75 7.477 -3.010 -6.345 1.00 72.45 H new ATOM 0 HA GLU A 75 9.494 -2.657 -8.296 1.00 22.24 H new ATOM 0 HB2 GLU A 75 8.187 -4.737 -7.868 1.00 21.41 H new ATOM 0 HB3 GLU A 75 6.743 -3.945 -8.468 1.00 21.41 H new ATOM 0 HG2 GLU A 75 7.745 -3.712 -10.694 1.00 64.32 H new ATOM 0 HG3 GLU A 75 9.258 -4.381 -10.116 1.00 64.32 H new ATOM 1185 N LEU A 76 6.667 -1.066 -8.796 1.00 11.13 N ATOM 1186 CA LEU A 76 6.020 -0.038 -9.601 1.00 42.14 C ATOM 1187 C LEU A 76 6.387 1.353 -9.087 1.00 45.00 C ATOM 1188 O LEU A 76 6.444 2.319 -9.848 1.00 62.21 O ATOM 1189 CB LEU A 76 4.493 -0.227 -9.579 1.00 2.25 C ATOM 1190 CG LEU A 76 3.923 -1.339 -10.482 1.00 70.14 C ATOM 1191 CD1 LEU A 76 4.544 -2.698 -10.174 1.00 51.14 C ATOM 1192 CD2 LEU A 76 2.413 -1.415 -10.322 1.00 51.33 C ATOM 0 H LEU A 76 6.115 -1.385 -8.000 1.00 11.13 H new ATOM 0 HA LEU A 76 6.371 -0.132 -10.629 1.00 42.14 H new ATOM 0 HB2 LEU A 76 4.190 -0.433 -8.552 1.00 2.25 H new ATOM 0 HB3 LEU A 76 4.029 0.717 -9.866 1.00 2.25 H new ATOM 0 HG LEU A 76 4.173 -1.086 -11.512 1.00 70.14 H new ATOM 0 HD11 LEU A 76 4.114 -3.452 -10.833 1.00 51.14 H new ATOM 0 HD12 LEU A 76 5.621 -2.650 -10.332 1.00 51.14 H new ATOM 0 HD13 LEU A 76 4.341 -2.964 -9.137 1.00 51.14 H new ATOM 0 HD21 LEU A 76 2.018 -2.203 -10.963 1.00 51.33 H new ATOM 0 HD22 LEU A 76 2.168 -1.636 -9.283 1.00 51.33 H new ATOM 0 HD23 LEU A 76 1.969 -0.461 -10.605 1.00 51.33 H new ATOM 1204 N LEU A 77 6.658 1.434 -7.793 1.00 14.51 N ATOM 1205 CA LEU A 77 6.980 2.691 -7.136 1.00 1.34 C ATOM 1206 C LEU A 77 8.303 3.235 -7.648 1.00 4.23 C ATOM 1207 O LEU A 77 8.430 4.424 -7.939 1.00 52.52 O ATOM 1208 CB LEU A 77 7.027 2.482 -5.615 1.00 41.51 C ATOM 1209 CG LEU A 77 7.066 3.746 -4.752 1.00 53.53 C ATOM 1210 CD1 LEU A 77 6.546 3.427 -3.358 1.00 20.43 C ATOM 1211 CD2 LEU A 77 8.477 4.318 -4.667 1.00 3.44 C ATOM 0 H LEU A 77 6.661 0.628 -7.168 1.00 14.51 H new ATOM 0 HA LEU A 77 6.205 3.423 -7.366 1.00 1.34 H new ATOM 0 HB2 LEU A 77 6.154 1.897 -5.324 1.00 41.51 H new ATOM 0 HB3 LEU A 77 7.906 1.882 -5.380 1.00 41.51 H new ATOM 0 HG LEU A 77 6.430 4.499 -5.217 1.00 53.53 H new ATOM 0 HD11 LEU A 77 6.574 4.327 -2.744 1.00 20.43 H new ATOM 0 HD12 LEU A 77 5.520 3.066 -3.426 1.00 20.43 H new ATOM 0 HD13 LEU A 77 7.171 2.658 -2.903 1.00 20.43 H new ATOM 0 HD21 LEU A 77 8.469 5.215 -4.047 1.00 3.44 H new ATOM 0 HD22 LEU A 77 9.144 3.577 -4.226 1.00 3.44 H new ATOM 0 HD23 LEU A 77 8.828 4.572 -5.667 1.00 3.44 H new ATOM 1223 N ARG A 78 9.276 2.348 -7.791 1.00 4.03 N ATOM 1224 CA ARG A 78 10.609 2.721 -8.257 1.00 75.12 C ATOM 1225 C ARG A 78 10.594 3.128 -9.738 1.00 43.01 C ATOM 1226 O ARG A 78 11.639 3.414 -10.321 1.00 54.11 O ATOM 1227 CB ARG A 78 11.570 1.545 -8.044 1.00 51.02 C ATOM 1228 CG ARG A 78 11.236 0.345 -8.917 1.00 35.34 C ATOM 1229 CD ARG A 78 12.063 -0.875 -8.558 1.00 21.14 C ATOM 1230 NE ARG A 78 13.483 -0.683 -8.835 1.00 74.51 N ATOM 1231 CZ ARG A 78 14.364 -1.676 -8.924 1.00 11.54 C ATOM 1232 NH1 ARG A 78 13.984 -2.929 -8.696 1.00 13.04 N ATOM 1233 NH2 ARG A 78 15.628 -1.411 -9.226 1.00 0.14 N ATOM 0 H ARG A 78 9.168 1.354 -7.589 1.00 4.03 H new ATOM 0 HA ARG A 78 10.946 3.583 -7.681 1.00 75.12 H new ATOM 0 HB2 ARG A 78 12.588 1.871 -8.256 1.00 51.02 H new ATOM 0 HB3 ARG A 78 11.543 1.245 -6.996 1.00 51.02 H new ATOM 0 HG2 ARG A 78 10.177 0.107 -8.814 1.00 35.34 H new ATOM 0 HG3 ARG A 78 11.405 0.601 -9.963 1.00 35.34 H new ATOM 0 HD2 ARG A 78 11.929 -1.104 -7.501 1.00 21.14 H new ATOM 0 HD3 ARG A 78 11.699 -1.736 -9.119 1.00 21.14 H new ATOM 0 HE ARG A 78 13.820 0.270 -8.968 1.00 74.51 H new ATOM 0 HH11 ARG A 78 13.015 -3.132 -8.452 1.00 13.04 H new ATOM 0 HH12 ARG A 78 14.662 -3.688 -8.765 1.00 13.04 H new ATOM 0 HH21 ARG A 78 15.922 -0.448 -9.389 1.00 0.14 H new ATOM 0 HH22 ARG A 78 16.306 -2.170 -9.295 1.00 0.14 H new ATOM 1247 N ARG A 79 9.408 3.154 -10.342 1.00 60.12 N ATOM 1248 CA ARG A 79 9.275 3.484 -11.757 1.00 75.32 C ATOM 1249 C ARG A 79 8.623 4.853 -11.948 1.00 71.04 C ATOM 1250 O ARG A 79 8.532 5.352 -13.071 1.00 11.32 O ATOM 1251 CB ARG A 79 8.443 2.417 -12.477 1.00 43.25 C ATOM 1252 CG ARG A 79 8.946 0.998 -12.270 1.00 5.52 C ATOM 1253 CD ARG A 79 10.346 0.801 -12.830 1.00 60.04 C ATOM 1254 NE ARG A 79 10.380 0.928 -14.288 1.00 3.13 N ATOM 1255 CZ ARG A 79 11.484 1.171 -14.997 1.00 52.23 C ATOM 1256 NH1 ARG A 79 12.651 1.344 -14.389 1.00 34.53 N ATOM 1257 NH2 ARG A 79 11.413 1.252 -16.320 1.00 51.14 N ATOM 0 H ARG A 79 8.526 2.950 -9.873 1.00 60.12 H new ATOM 0 HA ARG A 79 10.277 3.514 -12.185 1.00 75.32 H new ATOM 0 HB2 ARG A 79 7.411 2.480 -12.130 1.00 43.25 H new ATOM 0 HB3 ARG A 79 8.435 2.637 -13.545 1.00 43.25 H new ATOM 0 HG2 ARG A 79 8.946 0.765 -11.205 1.00 5.52 H new ATOM 0 HG3 ARG A 79 8.262 0.298 -12.750 1.00 5.52 H new ATOM 0 HD2 ARG A 79 11.019 1.535 -12.387 1.00 60.04 H new ATOM 0 HD3 ARG A 79 10.715 -0.184 -12.544 1.00 60.04 H new ATOM 0 HE ARG A 79 9.501 0.824 -14.796 1.00 3.13 H new ATOM 0 HH11 ARG A 79 12.709 1.292 -13.372 1.00 34.53 H new ATOM 0 HH12 ARG A 79 13.490 1.529 -14.939 1.00 34.53 H new ATOM 0 HH21 ARG A 79 10.517 1.129 -16.791 1.00 51.14 H new ATOM 0 HH22 ARG A 79 12.255 1.438 -16.865 1.00 51.14 H new ATOM 1271 N GLY A 80 8.176 5.467 -10.858 1.00 24.21 N ATOM 1272 CA GLY A 80 7.490 6.743 -10.969 1.00 51.01 C ATOM 1273 C GLY A 80 7.497 7.535 -9.676 1.00 43.44 C ATOM 1274 O GLY A 80 8.402 7.387 -8.853 1.00 53.40 O ATOM 0 H GLY A 80 8.274 5.109 -9.908 1.00 24.21 H new ATOM 0 HA2 GLY A 80 7.961 7.335 -11.754 1.00 51.01 H new ATOM 0 HA3 GLY A 80 6.459 6.569 -11.276 1.00 51.01 H new ATOM 1278 N ILE A 81 6.485 8.373 -9.494 1.00 24.33 N ATOM 1279 CA ILE A 81 6.373 9.189 -8.297 1.00 4.51 C ATOM 1280 C ILE A 81 5.222 8.689 -7.419 1.00 52.33 C ATOM 1281 O ILE A 81 4.052 9.034 -7.605 1.00 12.24 O ATOM 1282 CB ILE A 81 6.210 10.693 -8.641 1.00 63.30 C ATOM 1283 CG1 ILE A 81 5.954 11.519 -7.378 1.00 62.21 C ATOM 1284 CG2 ILE A 81 5.108 10.910 -9.669 1.00 43.35 C ATOM 1285 CD1 ILE A 81 7.114 11.514 -6.403 1.00 35.43 C ATOM 0 H ILE A 81 5.728 8.504 -10.165 1.00 24.33 H new ATOM 0 HA ILE A 81 7.302 9.092 -7.734 1.00 4.51 H new ATOM 0 HB ILE A 81 7.146 11.035 -9.083 1.00 63.30 H new ATOM 0 HG12 ILE A 81 5.736 12.548 -7.665 1.00 62.21 H new ATOM 0 HG13 ILE A 81 5.067 11.134 -6.876 1.00 62.21 H new ATOM 0 HG21 ILE A 81 5.019 11.974 -9.888 1.00 43.35 H new ATOM 0 HG22 ILE A 81 5.352 10.370 -10.584 1.00 43.35 H new ATOM 0 HG23 ILE A 81 4.162 10.541 -9.272 1.00 43.35 H new ATOM 0 HD11 ILE A 81 6.861 12.120 -5.533 1.00 35.43 H new ATOM 0 HD12 ILE A 81 7.319 10.491 -6.086 1.00 35.43 H new ATOM 0 HD13 ILE A 81 7.998 11.928 -6.888 1.00 35.43 H new ATOM 1297 N VAL A 82 5.576 7.840 -6.478 1.00 1.44 N ATOM 1298 CA VAL A 82 4.606 7.170 -5.633 1.00 24.14 C ATOM 1299 C VAL A 82 5.262 6.770 -4.322 1.00 55.33 C ATOM 1300 O VAL A 82 6.482 6.649 -4.263 1.00 64.21 O ATOM 1301 CB VAL A 82 4.005 5.935 -6.365 1.00 75.21 C ATOM 1302 CG1 VAL A 82 5.061 5.254 -7.220 1.00 51.30 C ATOM 1303 CG2 VAL A 82 3.386 4.931 -5.395 1.00 22.22 C ATOM 0 H VAL A 82 6.545 7.593 -6.276 1.00 1.44 H new ATOM 0 HA VAL A 82 3.785 7.853 -5.415 1.00 24.14 H new ATOM 0 HB VAL A 82 3.206 6.304 -7.007 1.00 75.21 H new ATOM 0 HG11 VAL A 82 4.622 4.393 -7.724 1.00 51.30 H new ATOM 0 HG12 VAL A 82 5.436 5.957 -7.964 1.00 51.30 H new ATOM 0 HG13 VAL A 82 5.884 4.923 -6.587 1.00 51.30 H new ATOM 0 HG21 VAL A 82 2.980 4.088 -5.954 1.00 22.22 H new ATOM 0 HG22 VAL A 82 4.150 4.575 -4.704 1.00 22.22 H new ATOM 0 HG23 VAL A 82 2.585 5.413 -4.834 1.00 22.22 H new ATOM 1313 N PHE A 83 4.468 6.627 -3.266 1.00 12.34 N ATOM 1314 CA PHE A 83 4.980 6.172 -1.975 1.00 3.33 C ATOM 1315 C PHE A 83 3.968 5.255 -1.289 1.00 54.02 C ATOM 1316 O PHE A 83 2.879 5.013 -1.813 1.00 72.53 O ATOM 1317 CB PHE A 83 5.303 7.363 -1.070 1.00 64.22 C ATOM 1318 CG PHE A 83 6.389 8.265 -1.589 1.00 2.42 C ATOM 1319 CD1 PHE A 83 7.723 7.914 -1.456 1.00 44.34 C ATOM 1320 CD2 PHE A 83 6.072 9.464 -2.208 1.00 13.23 C ATOM 1321 CE1 PHE A 83 8.720 8.741 -1.934 1.00 24.01 C ATOM 1322 CE2 PHE A 83 7.066 10.295 -2.686 1.00 63.43 C ATOM 1323 CZ PHE A 83 8.391 9.934 -2.549 1.00 74.22 C ATOM 0 H PHE A 83 3.466 6.819 -3.277 1.00 12.34 H new ATOM 0 HA PHE A 83 5.897 5.612 -2.155 1.00 3.33 H new ATOM 0 HB2 PHE A 83 4.397 7.951 -0.928 1.00 64.22 H new ATOM 0 HB3 PHE A 83 5.597 6.989 -0.089 1.00 64.22 H new ATOM 0 HD1 PHE A 83 7.985 6.984 -0.974 1.00 44.34 H new ATOM 0 HD2 PHE A 83 5.037 9.751 -2.318 1.00 13.23 H new ATOM 0 HE1 PHE A 83 9.756 8.456 -1.827 1.00 24.01 H new ATOM 0 HE2 PHE A 83 6.807 11.227 -3.167 1.00 63.43 H new ATOM 0 HZ PHE A 83 9.170 10.583 -2.922 1.00 74.22 H new ATOM 1333 N ALA A 84 4.328 4.737 -0.121 1.00 72.40 N ATOM 1334 CA ALA A 84 3.420 3.908 0.665 1.00 73.15 C ATOM 1335 C ALA A 84 3.812 3.929 2.135 1.00 45.23 C ATOM 1336 O ALA A 84 4.957 4.234 2.471 1.00 60.21 O ATOM 1337 CB ALA A 84 3.404 2.483 0.141 1.00 35.41 C ATOM 0 H ALA A 84 5.245 4.876 0.304 1.00 72.40 H new ATOM 0 HA ALA A 84 2.415 4.320 0.570 1.00 73.15 H new ATOM 0 HB1 ALA A 84 2.721 1.882 0.741 1.00 35.41 H new ATOM 0 HB2 ALA A 84 3.072 2.481 -0.897 1.00 35.41 H new ATOM 0 HB3 ALA A 84 4.407 2.061 0.202 1.00 35.41 H new ATOM 1343 N MET A 85 2.865 3.608 3.012 1.00 63.44 N ATOM 1344 CA MET A 85 3.119 3.666 4.445 1.00 31.24 C ATOM 1345 C MET A 85 2.238 2.703 5.248 1.00 1.20 C ATOM 1346 O MET A 85 1.064 2.468 4.923 1.00 22.40 O ATOM 1347 CB MET A 85 2.915 5.088 4.958 1.00 21.02 C ATOM 1348 CG MET A 85 1.624 5.723 4.484 1.00 32.50 C ATOM 1349 SD MET A 85 0.823 6.675 5.780 1.00 14.33 S ATOM 1350 CE MET A 85 0.295 5.350 6.867 1.00 50.41 C ATOM 0 H MET A 85 1.924 3.308 2.757 1.00 63.44 H new ATOM 0 HA MET A 85 4.154 3.357 4.590 1.00 31.24 H new ATOM 0 HB2 MET A 85 2.926 5.078 6.048 1.00 21.02 H new ATOM 0 HB3 MET A 85 3.754 5.705 4.636 1.00 21.02 H new ATOM 0 HG2 MET A 85 1.831 6.372 3.633 1.00 32.50 H new ATOM 0 HG3 MET A 85 0.945 4.945 4.134 1.00 32.50 H new ATOM 0 HE1 MET A 85 -0.539 5.692 7.480 1.00 50.41 H new ATOM 0 HE2 MET A 85 -0.020 4.494 6.271 1.00 50.41 H new ATOM 0 HE3 MET A 85 1.123 5.057 7.513 1.00 50.41 H new ATOM 1360 N ALA A 86 2.817 2.175 6.318 1.00 11.41 N ATOM 1361 CA ALA A 86 2.130 1.267 7.224 1.00 54.44 C ATOM 1362 C ALA A 86 2.233 1.775 8.666 1.00 35.24 C ATOM 1363 O ALA A 86 2.691 2.897 8.890 1.00 72.42 O ATOM 1364 CB ALA A 86 2.718 -0.122 7.094 1.00 72.41 C ATOM 0 H ALA A 86 3.783 2.367 6.583 1.00 11.41 H new ATOM 0 HA ALA A 86 1.074 1.224 6.959 1.00 54.44 H new ATOM 0 HB1 ALA A 86 2.202 -0.801 7.773 1.00 72.41 H new ATOM 0 HB2 ALA A 86 2.598 -0.474 6.069 1.00 72.41 H new ATOM 0 HB3 ALA A 86 3.778 -0.093 7.346 1.00 72.41 H new ATOM 1370 N ARG A 87 1.810 0.970 9.639 1.00 3.40 N ATOM 1371 CA ARG A 87 1.792 1.422 11.031 1.00 53.33 C ATOM 1372 C ARG A 87 1.956 0.279 12.033 1.00 23.44 C ATOM 1373 O ARG A 87 2.323 -0.840 11.682 1.00 43.52 O ATOM 1374 CB ARG A 87 0.477 2.152 11.329 1.00 74.12 C ATOM 1375 CG ARG A 87 -0.764 1.311 11.057 1.00 31.45 C ATOM 1376 CD ARG A 87 -2.024 1.942 11.635 1.00 33.24 C ATOM 1377 NE ARG A 87 -2.066 3.396 11.441 1.00 24.55 N ATOM 1378 CZ ARG A 87 -3.083 4.046 10.870 1.00 41.41 C ATOM 1379 NH1 ARG A 87 -4.076 3.368 10.311 1.00 25.14 N ATOM 1380 NH2 ARG A 87 -3.080 5.375 10.822 1.00 72.11 N ATOM 0 H ARG A 87 1.480 0.016 9.494 1.00 3.40 H new ATOM 0 HA ARG A 87 2.644 2.092 11.148 1.00 53.33 H new ATOM 0 HB2 ARG A 87 0.473 2.463 12.374 1.00 74.12 H new ATOM 0 HB3 ARG A 87 0.430 3.059 10.726 1.00 74.12 H new ATOM 0 HG2 ARG A 87 -0.885 1.182 9.981 1.00 31.45 H new ATOM 0 HG3 ARG A 87 -0.628 0.317 11.484 1.00 31.45 H new ATOM 0 HD2 ARG A 87 -2.899 1.491 11.167 1.00 33.24 H new ATOM 0 HD3 ARG A 87 -2.082 1.719 12.700 1.00 33.24 H new ATOM 0 HE ARG A 87 -1.268 3.944 11.762 1.00 24.55 H new ATOM 0 HH11 ARG A 87 -4.064 2.348 10.317 1.00 25.14 H new ATOM 0 HH12 ARG A 87 -4.852 3.866 9.875 1.00 25.14 H new ATOM 0 HH21 ARG A 87 -2.301 5.898 11.221 1.00 72.11 H new ATOM 0 HH22 ARG A 87 -3.857 5.871 10.386 1.00 72.11 H new ATOM 1394 N VAL A 88 1.699 0.633 13.298 1.00 25.22 N ATOM 1395 CA VAL A 88 1.587 -0.289 14.436 1.00 73.30 C ATOM 1396 C VAL A 88 2.637 -1.412 14.495 1.00 75.51 C ATOM 1397 O VAL A 88 3.744 -1.197 14.986 1.00 45.53 O ATOM 1398 CB VAL A 88 0.152 -0.859 14.595 1.00 2.44 C ATOM 1399 CG1 VAL A 88 -0.790 0.237 15.065 1.00 62.45 C ATOM 1400 CG2 VAL A 88 -0.373 -1.471 13.304 1.00 21.44 C ATOM 0 H VAL A 88 1.558 1.606 13.568 1.00 25.22 H new ATOM 0 HA VAL A 88 1.811 0.346 15.293 1.00 73.30 H new ATOM 0 HB VAL A 88 0.199 -1.655 15.338 1.00 2.44 H new ATOM 0 HG11 VAL A 88 -1.795 -0.170 15.175 1.00 62.45 H new ATOM 0 HG12 VAL A 88 -0.448 0.623 16.025 1.00 62.45 H new ATOM 0 HG13 VAL A 88 -0.803 1.044 14.333 1.00 62.45 H new ATOM 0 HG21 VAL A 88 -1.380 -1.856 13.467 1.00 21.44 H new ATOM 0 HG22 VAL A 88 -0.397 -0.710 12.524 1.00 21.44 H new ATOM 0 HG23 VAL A 88 0.281 -2.286 12.995 1.00 21.44 H new ATOM 1410 N LYS A 89 2.301 -2.605 14.013 1.00 43.32 N ATOM 1411 CA LYS A 89 3.113 -3.784 14.302 1.00 23.32 C ATOM 1412 C LYS A 89 3.422 -4.610 13.059 1.00 71.55 C ATOM 1413 O LYS A 89 4.471 -4.450 12.440 1.00 61.32 O ATOM 1414 CB LYS A 89 2.403 -4.666 15.338 1.00 73.45 C ATOM 1415 CG LYS A 89 2.267 -4.037 16.718 1.00 34.54 C ATOM 1416 CD LYS A 89 3.412 -4.433 17.638 1.00 2.30 C ATOM 1417 CE LYS A 89 4.747 -3.860 17.184 1.00 21.40 C ATOM 1418 NZ LYS A 89 4.805 -2.381 17.323 1.00 74.32 N ATOM 0 H LYS A 89 1.484 -2.781 13.428 1.00 43.32 H new ATOM 0 HA LYS A 89 4.063 -3.424 14.696 1.00 23.32 H new ATOM 0 HB2 LYS A 89 1.409 -4.913 14.966 1.00 73.45 H new ATOM 0 HB3 LYS A 89 2.950 -5.604 15.433 1.00 73.45 H new ATOM 0 HG2 LYS A 89 2.238 -2.952 16.621 1.00 34.54 H new ATOM 0 HG3 LYS A 89 1.321 -4.342 17.164 1.00 34.54 H new ATOM 0 HD2 LYS A 89 3.197 -4.089 18.650 1.00 2.30 H new ATOM 0 HD3 LYS A 89 3.482 -5.520 17.679 1.00 2.30 H new ATOM 0 HE2 LYS A 89 5.550 -4.309 17.769 1.00 21.40 H new ATOM 0 HE3 LYS A 89 4.921 -4.132 16.143 1.00 21.40 H new ATOM 0 HZ1 LYS A 89 5.793 -2.083 17.453 1.00 74.32 H new ATOM 0 HZ2 LYS A 89 4.419 -1.936 16.466 1.00 74.32 H new ATOM 0 HZ3 LYS A 89 4.244 -2.088 18.148 1.00 74.32 H new ATOM 1432 N GLN A 90 2.500 -5.499 12.702 1.00 35.23 N ATOM 1433 CA GLN A 90 2.722 -6.448 11.615 1.00 31.52 C ATOM 1434 C GLN A 90 2.916 -5.737 10.285 1.00 21.51 C ATOM 1435 O GLN A 90 3.718 -6.172 9.462 1.00 71.34 O ATOM 1436 CB GLN A 90 1.554 -7.429 11.522 1.00 40.33 C ATOM 1437 CG GLN A 90 1.533 -8.464 12.638 1.00 4.14 C ATOM 1438 CD GLN A 90 2.553 -9.575 12.445 1.00 74.22 C ATOM 1439 OE1 GLN A 90 2.352 -10.698 12.904 1.00 42.15 O ATOM 1440 NE2 GLN A 90 3.640 -9.283 11.750 1.00 34.25 N ATOM 0 H GLN A 90 1.588 -5.582 13.152 1.00 35.23 H new ATOM 0 HA GLN A 90 3.636 -6.999 11.836 1.00 31.52 H new ATOM 0 HB2 GLN A 90 0.619 -6.869 11.540 1.00 40.33 H new ATOM 0 HB3 GLN A 90 1.599 -7.944 10.562 1.00 40.33 H new ATOM 0 HG2 GLN A 90 1.723 -7.967 13.589 1.00 4.14 H new ATOM 0 HG3 GLN A 90 0.537 -8.901 12.700 1.00 4.14 H new ATOM 0 HE21 GLN A 90 3.774 -8.340 11.384 1.00 34.25 H new ATOM 0 HE22 GLN A 90 4.345 -10.001 11.580 1.00 34.25 H new ATOM 1449 N ASP A 91 2.187 -4.643 10.115 1.00 23.44 N ATOM 1450 CA ASP A 91 2.222 -3.828 8.903 1.00 22.03 C ATOM 1451 C ASP A 91 3.635 -3.675 8.355 1.00 54.40 C ATOM 1452 O ASP A 91 3.979 -4.257 7.325 1.00 20.44 O ATOM 1453 CB ASP A 91 1.677 -2.434 9.198 1.00 1.11 C ATOM 1454 CG ASP A 91 0.258 -2.424 9.717 1.00 12.21 C ATOM 1455 OD1 ASP A 91 -0.065 -3.239 10.606 1.00 23.43 O ATOM 1456 OD2 ASP A 91 -0.522 -1.567 9.261 1.00 14.34 O ATOM 0 H ASP A 91 1.544 -4.289 10.824 1.00 23.44 H new ATOM 0 HA ASP A 91 1.610 -4.339 8.160 1.00 22.03 H new ATOM 0 HB2 ASP A 91 2.324 -1.950 9.930 1.00 1.11 H new ATOM 0 HB3 ASP A 91 1.724 -1.837 8.287 1.00 1.11 H new ATOM 1461 N LEU A 92 4.452 -2.897 9.055 1.00 3.05 N ATOM 1462 CA LEU A 92 5.783 -2.567 8.568 1.00 74.24 C ATOM 1463 C LEU A 92 6.694 -3.790 8.553 1.00 30.24 C ATOM 1464 O LEU A 92 7.477 -3.966 7.628 1.00 41.44 O ATOM 1465 CB LEU A 92 6.425 -1.435 9.386 1.00 33.45 C ATOM 1466 CG LEU A 92 6.784 -1.759 10.841 1.00 2.02 C ATOM 1467 CD1 LEU A 92 7.940 -0.885 11.299 1.00 12.01 C ATOM 1468 CD2 LEU A 92 5.590 -1.549 11.761 1.00 13.02 C ATOM 0 H LEU A 92 4.216 -2.485 9.958 1.00 3.05 H new ATOM 0 HA LEU A 92 5.663 -2.217 7.543 1.00 74.24 H new ATOM 0 HB2 LEU A 92 7.333 -1.117 8.874 1.00 33.45 H new ATOM 0 HB3 LEU A 92 5.743 -0.584 9.384 1.00 33.45 H new ATOM 0 HG LEU A 92 7.077 -2.808 10.890 1.00 2.02 H new ATOM 0 HD11 LEU A 92 8.188 -1.122 12.334 1.00 12.01 H new ATOM 0 HD12 LEU A 92 8.808 -1.069 10.666 1.00 12.01 H new ATOM 0 HD13 LEU A 92 7.654 0.164 11.226 1.00 12.01 H new ATOM 0 HD21 LEU A 92 5.874 -1.786 12.786 1.00 13.02 H new ATOM 0 HD22 LEU A 92 5.266 -0.510 11.706 1.00 13.02 H new ATOM 0 HD23 LEU A 92 4.773 -2.200 11.451 1.00 13.02 H new ATOM 1480 N ARG A 93 6.576 -4.647 9.562 1.00 44.50 N ATOM 1481 CA ARG A 93 7.450 -5.814 9.669 1.00 14.43 C ATOM 1482 C ARG A 93 7.357 -6.687 8.426 1.00 52.35 C ATOM 1483 O ARG A 93 8.364 -6.973 7.774 1.00 40.42 O ATOM 1484 CB ARG A 93 7.095 -6.647 10.900 1.00 12.42 C ATOM 1485 CG ARG A 93 7.376 -5.951 12.216 1.00 13.12 C ATOM 1486 CD ARG A 93 7.086 -6.870 13.389 1.00 5.00 C ATOM 1487 NE ARG A 93 7.866 -8.107 13.332 1.00 13.52 N ATOM 1488 CZ ARG A 93 7.568 -9.206 14.023 1.00 50.10 C ATOM 1489 NH1 ARG A 93 6.539 -9.216 14.858 1.00 62.14 N ATOM 1490 NH2 ARG A 93 8.321 -10.289 13.896 1.00 13.32 N ATOM 0 H ARG A 93 5.891 -4.559 10.312 1.00 44.50 H new ATOM 0 HA ARG A 93 8.472 -5.447 9.766 1.00 14.43 H new ATOM 0 HB2 ARG A 93 6.038 -6.908 10.857 1.00 12.42 H new ATOM 0 HB3 ARG A 93 7.655 -7.581 10.868 1.00 12.42 H new ATOM 0 HG2 ARG A 93 8.418 -5.632 12.248 1.00 13.12 H new ATOM 0 HG3 ARG A 93 6.765 -5.052 12.294 1.00 13.12 H new ATOM 0 HD2 ARG A 93 7.306 -6.347 14.320 1.00 5.00 H new ATOM 0 HD3 ARG A 93 6.024 -7.113 13.403 1.00 5.00 H new ATOM 0 HE ARG A 93 8.687 -8.129 12.727 1.00 13.52 H new ATOM 0 HH11 ARG A 93 5.969 -8.378 14.975 1.00 62.14 H new ATOM 0 HH12 ARG A 93 6.317 -10.061 15.384 1.00 62.14 H new ATOM 0 HH21 ARG A 93 9.126 -10.280 13.270 1.00 13.32 H new ATOM 0 HH22 ARG A 93 8.095 -11.132 14.424 1.00 13.32 H new ATOM 1504 N GLU A 94 6.140 -7.080 8.084 1.00 34.25 N ATOM 1505 CA GLU A 94 5.923 -7.994 6.980 1.00 14.10 C ATOM 1506 C GLU A 94 6.240 -7.321 5.652 1.00 2.53 C ATOM 1507 O GLU A 94 6.954 -7.881 4.821 1.00 12.51 O ATOM 1508 CB GLU A 94 4.481 -8.487 6.975 1.00 21.03 C ATOM 1509 CG GLU A 94 3.985 -8.959 8.324 1.00 52.14 C ATOM 1510 CD GLU A 94 4.823 -10.081 8.902 1.00 71.51 C ATOM 1511 OE1 GLU A 94 4.675 -11.234 8.447 1.00 54.01 O ATOM 1512 OE2 GLU A 94 5.623 -9.816 9.828 1.00 54.15 O ATOM 0 H GLU A 94 5.288 -6.778 8.557 1.00 34.25 H new ATOM 0 HA GLU A 94 6.591 -8.845 7.110 1.00 14.10 H new ATOM 0 HB2 GLU A 94 3.835 -7.683 6.623 1.00 21.03 H new ATOM 0 HB3 GLU A 94 4.390 -9.305 6.260 1.00 21.03 H new ATOM 0 HG2 GLU A 94 3.983 -8.119 9.019 1.00 52.14 H new ATOM 0 HG3 GLU A 94 2.953 -9.296 8.228 1.00 52.14 H new ATOM 1519 N SER A 95 5.712 -6.115 5.459 1.00 20.02 N ATOM 1520 CA SER A 95 5.915 -5.370 4.221 1.00 44.31 C ATOM 1521 C SER A 95 7.400 -5.164 3.936 1.00 31.31 C ATOM 1522 O SER A 95 7.857 -5.294 2.797 1.00 73.24 O ATOM 1523 CB SER A 95 5.200 -4.020 4.304 1.00 30.40 C ATOM 1524 OG SER A 95 3.793 -4.192 4.308 1.00 33.21 O ATOM 0 H SER A 95 5.137 -5.631 6.149 1.00 20.02 H new ATOM 0 HA SER A 95 5.495 -5.951 3.400 1.00 44.31 H new ATOM 0 HB2 SER A 95 5.509 -3.495 5.208 1.00 30.40 H new ATOM 0 HB3 SER A 95 5.492 -3.397 3.459 1.00 30.40 H new ATOM 0 HG SER A 95 3.461 -4.195 3.386 1.00 33.21 H new ATOM 1530 N LEU A 96 8.155 -4.866 4.979 1.00 13.40 N ATOM 1531 CA LEU A 96 9.578 -4.614 4.845 1.00 42.23 C ATOM 1532 C LEU A 96 10.356 -5.909 4.640 1.00 14.21 C ATOM 1533 O LEU A 96 11.459 -5.898 4.097 1.00 54.25 O ATOM 1534 CB LEU A 96 10.091 -3.865 6.071 1.00 61.33 C ATOM 1535 CG LEU A 96 10.013 -2.332 5.985 1.00 52.14 C ATOM 1536 CD1 LEU A 96 10.864 -1.819 4.835 1.00 52.13 C ATOM 1537 CD2 LEU A 96 8.575 -1.866 5.823 1.00 21.22 C ATOM 0 H LEU A 96 7.803 -4.792 5.933 1.00 13.40 H new ATOM 0 HA LEU A 96 9.733 -3.996 3.961 1.00 42.23 H new ATOM 0 HB2 LEU A 96 9.522 -4.193 6.941 1.00 61.33 H new ATOM 0 HB3 LEU A 96 11.129 -4.150 6.243 1.00 61.33 H new ATOM 0 HG LEU A 96 10.401 -1.924 6.918 1.00 52.14 H new ATOM 0 HD11 LEU A 96 10.797 -0.732 4.789 1.00 52.13 H new ATOM 0 HD12 LEU A 96 11.902 -2.112 4.992 1.00 52.13 H new ATOM 0 HD13 LEU A 96 10.504 -2.244 3.898 1.00 52.13 H new ATOM 0 HD21 LEU A 96 8.550 -0.778 5.765 1.00 21.22 H new ATOM 0 HD22 LEU A 96 8.156 -2.288 4.909 1.00 21.22 H new ATOM 0 HD23 LEU A 96 7.987 -2.197 6.679 1.00 21.22 H new ATOM 1549 N ARG A 97 9.784 -7.021 5.083 1.00 31.13 N ATOM 1550 CA ARG A 97 10.372 -8.333 4.837 1.00 54.14 C ATOM 1551 C ARG A 97 10.019 -8.828 3.439 1.00 31.41 C ATOM 1552 O ARG A 97 10.717 -9.667 2.869 1.00 3.33 O ATOM 1553 CB ARG A 97 9.904 -9.342 5.890 1.00 43.24 C ATOM 1554 CG ARG A 97 10.986 -9.708 6.890 1.00 50.51 C ATOM 1555 CD ARG A 97 12.094 -10.516 6.231 1.00 43.34 C ATOM 1556 NE ARG A 97 13.255 -10.676 7.105 1.00 51.04 N ATOM 1557 CZ ARG A 97 13.909 -11.825 7.282 1.00 74.33 C ATOM 1558 NH1 ARG A 97 13.456 -12.945 6.729 1.00 35.33 N ATOM 1559 NH2 ARG A 97 15.002 -11.862 8.035 1.00 14.44 N ATOM 0 H ARG A 97 8.914 -7.042 5.615 1.00 31.13 H new ATOM 0 HA ARG A 97 11.455 -8.236 4.907 1.00 54.14 H new ATOM 0 HB2 ARG A 97 9.049 -8.929 6.425 1.00 43.24 H new ATOM 0 HB3 ARG A 97 9.560 -10.247 5.389 1.00 43.24 H new ATOM 0 HG2 ARG A 97 11.404 -8.801 7.326 1.00 50.51 H new ATOM 0 HG3 ARG A 97 10.550 -10.283 7.707 1.00 50.51 H new ATOM 0 HD2 ARG A 97 11.710 -11.498 5.956 1.00 43.34 H new ATOM 0 HD3 ARG A 97 12.401 -10.024 5.308 1.00 43.34 H new ATOM 0 HE ARG A 97 13.586 -9.856 7.612 1.00 51.04 H new ATOM 0 HH11 ARG A 97 12.605 -12.928 6.167 1.00 35.33 H new ATOM 0 HH12 ARG A 97 13.959 -13.822 6.867 1.00 35.33 H new ATOM 0 HH21 ARG A 97 15.344 -11.010 8.480 1.00 14.44 H new ATOM 0 HH22 ARG A 97 15.500 -12.742 8.168 1.00 14.44 H new ATOM 1573 N ALA A 98 8.925 -8.309 2.899 1.00 5.23 N ATOM 1574 CA ALA A 98 8.500 -8.648 1.550 1.00 4.43 C ATOM 1575 C ALA A 98 9.384 -7.960 0.520 1.00 60.23 C ATOM 1576 O ALA A 98 9.791 -8.568 -0.467 1.00 35.41 O ATOM 1577 CB ALA A 98 7.045 -8.262 1.342 1.00 42.31 C ATOM 0 H ALA A 98 8.313 -7.648 3.378 1.00 5.23 H new ATOM 0 HA ALA A 98 8.597 -9.726 1.419 1.00 4.43 H new ATOM 0 HB1 ALA A 98 6.741 -8.522 0.328 1.00 42.31 H new ATOM 0 HB2 ALA A 98 6.421 -8.798 2.057 1.00 42.31 H new ATOM 0 HB3 ALA A 98 6.928 -7.189 1.492 1.00 42.31 H new ATOM 1583 N ALA A 99 9.674 -6.688 0.757 1.00 11.11 N ATOM 1584 CA ALA A 99 10.553 -5.933 -0.122 1.00 60.50 C ATOM 1585 C ALA A 99 11.810 -5.505 0.627 1.00 5.52 C ATOM 1586 O ALA A 99 11.811 -4.493 1.331 1.00 64.05 O ATOM 1587 CB ALA A 99 9.827 -4.724 -0.697 1.00 22.10 C ATOM 0 H ALA A 99 9.313 -6.158 1.551 1.00 11.11 H new ATOM 0 HA ALA A 99 10.849 -6.575 -0.952 1.00 60.50 H new ATOM 0 HB1 ALA A 99 10.501 -4.172 -1.352 1.00 22.10 H new ATOM 0 HB2 ALA A 99 8.960 -5.057 -1.267 1.00 22.10 H new ATOM 0 HB3 ALA A 99 9.499 -4.076 0.116 1.00 22.10 H new ATOM 1593 N SER A 100 12.874 -6.281 0.467 1.00 72.53 N ATOM 1594 CA SER A 100 14.100 -6.079 1.232 1.00 21.54 C ATOM 1595 C SER A 100 15.193 -5.418 0.394 1.00 54.32 C ATOM 1596 O SER A 100 16.310 -5.210 0.871 1.00 51.31 O ATOM 1597 CB SER A 100 14.597 -7.422 1.770 1.00 2.52 C ATOM 1598 OG SER A 100 13.616 -8.032 2.593 1.00 31.34 O ATOM 0 H SER A 100 12.914 -7.061 -0.189 1.00 72.53 H new ATOM 0 HA SER A 100 13.870 -5.409 2.060 1.00 21.54 H new ATOM 0 HB2 SER A 100 14.842 -8.083 0.939 1.00 2.52 H new ATOM 0 HB3 SER A 100 15.514 -7.273 2.340 1.00 2.52 H new ATOM 0 HG SER A 100 13.955 -8.890 2.925 1.00 31.34 H new ATOM 1604 N LEU A 101 14.871 -5.068 -0.845 1.00 50.30 N ATOM 1605 CA LEU A 101 15.840 -4.428 -1.736 1.00 61.20 C ATOM 1606 C LEU A 101 15.929 -2.919 -1.454 1.00 65.10 C ATOM 1607 O LEU A 101 16.028 -2.085 -2.363 1.00 74.41 O ATOM 1608 CB LEU A 101 15.490 -4.713 -3.211 1.00 22.35 C ATOM 1609 CG LEU A 101 14.352 -3.887 -3.835 1.00 61.44 C ATOM 1610 CD1 LEU A 101 14.126 -4.307 -5.277 1.00 34.44 C ATOM 1611 CD2 LEU A 101 13.056 -4.022 -3.044 1.00 41.01 C ATOM 0 H LEU A 101 13.950 -5.215 -1.258 1.00 50.30 H new ATOM 0 HA LEU A 101 16.824 -4.854 -1.542 1.00 61.20 H new ATOM 0 HB2 LEU A 101 16.388 -4.556 -3.808 1.00 22.35 H new ATOM 0 HB3 LEU A 101 15.229 -5.768 -3.299 1.00 22.35 H new ATOM 0 HG LEU A 101 14.653 -2.840 -3.806 1.00 61.44 H new ATOM 0 HD11 LEU A 101 13.318 -3.714 -5.706 1.00 34.44 H new ATOM 0 HD12 LEU A 101 15.039 -4.145 -5.850 1.00 34.44 H new ATOM 0 HD13 LEU A 101 13.859 -5.363 -5.311 1.00 34.44 H new ATOM 0 HD21 LEU A 101 12.277 -3.424 -3.517 1.00 41.01 H new ATOM 0 HD22 LEU A 101 12.749 -5.068 -3.024 1.00 41.01 H new ATOM 0 HD23 LEU A 101 13.214 -3.671 -2.024 1.00 41.01 H new ATOM 1623 N LEU A 102 15.963 -2.589 -0.167 1.00 44.43 N ATOM 1624 CA LEU A 102 15.951 -1.204 0.297 1.00 75.04 C ATOM 1625 C LEU A 102 17.271 -0.498 -0.007 1.00 32.53 C ATOM 1626 O LEU A 102 17.444 0.677 0.302 1.00 51.25 O ATOM 1627 CB LEU A 102 15.680 -1.159 1.803 1.00 51.14 C ATOM 1628 CG LEU A 102 14.430 -1.911 2.270 1.00 74.30 C ATOM 1629 CD1 LEU A 102 14.302 -1.829 3.782 1.00 61.11 C ATOM 1630 CD2 LEU A 102 13.182 -1.357 1.601 1.00 23.05 C ATOM 0 H LEU A 102 16.000 -3.276 0.586 1.00 44.43 H new ATOM 0 HA LEU A 102 15.157 -0.682 -0.237 1.00 75.04 H new ATOM 0 HB2 LEU A 102 16.545 -1.570 2.323 1.00 51.14 H new ATOM 0 HB3 LEU A 102 15.591 -0.116 2.108 1.00 51.14 H new ATOM 0 HG LEU A 102 14.532 -2.957 1.982 1.00 74.30 H new ATOM 0 HD11 LEU A 102 13.410 -2.367 4.101 1.00 61.11 H new ATOM 0 HD12 LEU A 102 15.181 -2.276 4.246 1.00 61.11 H new ATOM 0 HD13 LEU A 102 14.223 -0.785 4.084 1.00 61.11 H new ATOM 0 HD21 LEU A 102 12.308 -1.907 1.949 1.00 23.05 H new ATOM 0 HD22 LEU A 102 13.071 -0.303 1.854 1.00 23.05 H new ATOM 0 HD23 LEU A 102 13.271 -1.463 0.520 1.00 23.05 H new ATOM 1642 N ASP A 103 18.196 -1.225 -0.611 1.00 20.32 N ATOM 1643 CA ASP A 103 19.489 -0.674 -0.987 1.00 33.44 C ATOM 1644 C ASP A 103 19.382 0.101 -2.293 1.00 53.15 C ATOM 1645 O ASP A 103 20.203 0.966 -2.585 1.00 64.05 O ATOM 1646 CB ASP A 103 20.507 -1.802 -1.150 1.00 75.24 C ATOM 1647 CG ASP A 103 20.190 -2.688 -2.337 1.00 35.42 C ATOM 1648 OD1 ASP A 103 19.172 -3.418 -2.287 1.00 40.23 O ATOM 1649 OD2 ASP A 103 20.949 -2.660 -3.330 1.00 71.20 O ATOM 0 H ASP A 103 18.074 -2.208 -0.854 1.00 20.32 H new ATOM 0 HA ASP A 103 19.816 0.004 -0.199 1.00 33.44 H new ATOM 0 HB2 ASP A 103 21.503 -1.376 -1.272 1.00 75.24 H new ATOM 0 HB3 ASP A 103 20.527 -2.406 -0.243 1.00 75.24 H new ATOM 1654 N LYS A 104 18.361 -0.215 -3.081 1.00 33.52 N ATOM 1655 CA LYS A 104 18.202 0.398 -4.392 1.00 23.53 C ATOM 1656 C LYS A 104 16.963 1.275 -4.456 1.00 12.11 C ATOM 1657 O LYS A 104 16.994 2.357 -5.040 1.00 14.32 O ATOM 1658 CB LYS A 104 18.153 -0.678 -5.474 1.00 44.00 C ATOM 1659 CG LYS A 104 17.137 -1.777 -5.199 1.00 32.02 C ATOM 1660 CD LYS A 104 17.374 -2.981 -6.088 1.00 43.32 C ATOM 1661 CE LYS A 104 18.726 -3.610 -5.813 1.00 63.34 C ATOM 1662 NZ LYS A 104 18.705 -4.547 -4.658 1.00 72.25 N ATOM 0 H LYS A 104 17.635 -0.888 -2.836 1.00 33.52 H new ATOM 0 HA LYS A 104 19.066 1.040 -4.567 1.00 23.53 H new ATOM 0 HB2 LYS A 104 17.918 -0.209 -6.430 1.00 44.00 H new ATOM 0 HB3 LYS A 104 19.142 -1.126 -5.573 1.00 44.00 H new ATOM 0 HG2 LYS A 104 17.197 -2.077 -4.153 1.00 32.02 H new ATOM 0 HG3 LYS A 104 16.130 -1.394 -5.363 1.00 32.02 H new ATOM 0 HD2 LYS A 104 16.587 -3.718 -5.924 1.00 43.32 H new ATOM 0 HD3 LYS A 104 17.316 -2.681 -7.134 1.00 43.32 H new ATOM 0 HE2 LYS A 104 19.060 -4.145 -6.702 1.00 63.34 H new ATOM 0 HE3 LYS A 104 19.455 -2.823 -5.622 1.00 63.34 H new ATOM 0 HZ1 LYS A 104 19.642 -4.984 -4.549 1.00 72.25 H new ATOM 0 HZ2 LYS A 104 18.464 -4.025 -3.792 1.00 72.25 H new ATOM 0 HZ3 LYS A 104 17.994 -5.288 -4.825 1.00 72.25 H new ATOM 1676 N ILE A 105 15.869 0.814 -3.862 1.00 1.04 N ATOM 1677 CA ILE A 105 14.654 1.616 -3.830 1.00 22.22 C ATOM 1678 C ILE A 105 14.710 2.609 -2.678 1.00 32.23 C ATOM 1679 O ILE A 105 13.899 3.531 -2.594 1.00 53.52 O ATOM 1680 CB ILE A 105 13.370 0.746 -3.768 1.00 42.10 C ATOM 1681 CG1 ILE A 105 13.464 -0.340 -2.695 1.00 12.35 C ATOM 1682 CG2 ILE A 105 13.107 0.115 -5.127 1.00 53.40 C ATOM 1683 CD1 ILE A 105 13.228 0.162 -1.296 1.00 64.04 C ATOM 0 H ILE A 105 15.798 -0.095 -3.404 1.00 1.04 H new ATOM 0 HA ILE A 105 14.601 2.171 -4.767 1.00 22.22 H new ATOM 0 HB ILE A 105 12.540 1.400 -3.499 1.00 42.10 H new ATOM 0 HG12 ILE A 105 12.737 -1.121 -2.918 1.00 12.35 H new ATOM 0 HG13 ILE A 105 14.451 -0.800 -2.744 1.00 12.35 H new ATOM 0 HG21 ILE A 105 12.205 -0.494 -5.077 1.00 53.40 H new ATOM 0 HG22 ILE A 105 12.974 0.899 -5.873 1.00 53.40 H new ATOM 0 HG23 ILE A 105 13.953 -0.512 -5.407 1.00 53.40 H new ATOM 0 HD11 ILE A 105 13.312 -0.667 -0.593 1.00 64.04 H new ATOM 0 HD12 ILE A 105 13.971 0.921 -1.052 1.00 64.04 H new ATOM 0 HD13 ILE A 105 12.230 0.596 -1.229 1.00 64.04 H new ATOM 1695 N GLY A 106 15.711 2.414 -1.817 1.00 72.22 N ATOM 1696 CA GLY A 106 15.946 3.309 -0.692 1.00 24.51 C ATOM 1697 C GLY A 106 14.705 3.575 0.140 1.00 51.32 C ATOM 1698 O GLY A 106 14.196 2.677 0.815 1.00 5.03 O ATOM 0 H GLY A 106 16.372 1.640 -1.882 1.00 72.22 H new ATOM 0 HA2 GLY A 106 16.718 2.881 -0.052 1.00 24.51 H new ATOM 0 HA3 GLY A 106 16.333 4.257 -1.067 1.00 24.51 H new ATOM 1702 N GLU A 107 14.224 4.812 0.096 1.00 44.33 N ATOM 1703 CA GLU A 107 13.005 5.181 0.800 1.00 10.42 C ATOM 1704 C GLU A 107 11.809 5.010 -0.125 1.00 53.30 C ATOM 1705 O GLU A 107 11.552 5.835 -1.003 1.00 0.21 O ATOM 1706 CB GLU A 107 13.090 6.614 1.330 1.00 32.35 C ATOM 1707 CG GLU A 107 14.246 6.821 2.296 1.00 75.33 C ATOM 1708 CD GLU A 107 14.213 8.172 2.974 1.00 53.12 C ATOM 1709 OE1 GLU A 107 14.536 9.184 2.317 1.00 62.22 O ATOM 1710 OE2 GLU A 107 13.879 8.228 4.176 1.00 2.04 O ATOM 0 H GLU A 107 14.661 5.576 -0.420 1.00 44.33 H new ATOM 0 HA GLU A 107 12.881 4.523 1.660 1.00 10.42 H new ATOM 0 HB2 GLU A 107 13.198 7.301 0.490 1.00 32.35 H new ATOM 0 HB3 GLU A 107 12.155 6.867 1.831 1.00 32.35 H new ATOM 0 HG2 GLU A 107 14.223 6.039 3.055 1.00 75.33 H new ATOM 0 HG3 GLU A 107 15.187 6.714 1.756 1.00 75.33 H new ATOM 1717 N ASP A 108 11.102 3.917 0.083 1.00 51.44 N ATOM 1718 CA ASP A 108 10.030 3.493 -0.804 1.00 52.34 C ATOM 1719 C ASP A 108 8.721 3.383 -0.033 1.00 4.55 C ATOM 1720 O ASP A 108 7.750 4.088 -0.310 1.00 40.54 O ATOM 1721 CB ASP A 108 10.419 2.133 -1.404 1.00 24.15 C ATOM 1722 CG ASP A 108 9.335 1.473 -2.236 1.00 63.55 C ATOM 1723 OD1 ASP A 108 8.416 0.864 -1.648 1.00 63.34 O ATOM 1724 OD2 ASP A 108 9.441 1.505 -3.479 1.00 34.22 O ATOM 0 H ASP A 108 11.254 3.293 0.875 1.00 51.44 H new ATOM 0 HA ASP A 108 9.887 4.224 -1.600 1.00 52.34 H new ATOM 0 HB2 ASP A 108 11.305 2.265 -2.025 1.00 24.15 H new ATOM 0 HB3 ASP A 108 10.696 1.459 -0.593 1.00 24.15 H new ATOM 1729 N HIS A 109 8.729 2.525 0.970 1.00 54.15 N ATOM 1730 CA HIS A 109 7.538 2.225 1.737 1.00 74.40 C ATOM 1731 C HIS A 109 7.866 2.241 3.229 1.00 53.14 C ATOM 1732 O HIS A 109 8.608 1.389 3.722 1.00 75.03 O ATOM 1733 CB HIS A 109 6.945 0.878 1.275 1.00 53.32 C ATOM 1734 CG HIS A 109 7.855 -0.319 1.397 1.00 43.32 C ATOM 1735 ND1 HIS A 109 7.387 -1.598 1.614 1.00 72.21 N ATOM 1736 CD2 HIS A 109 9.205 -0.437 1.302 1.00 51.54 C ATOM 1737 CE1 HIS A 109 8.399 -2.439 1.655 1.00 22.21 C ATOM 1738 NE2 HIS A 109 9.515 -1.764 1.465 1.00 10.21 N ATOM 0 H HIS A 109 9.560 2.018 1.274 1.00 54.15 H new ATOM 0 HA HIS A 109 6.778 2.988 1.565 1.00 74.40 H new ATOM 0 HB2 HIS A 109 6.041 0.684 1.853 1.00 53.32 H new ATOM 0 HB3 HIS A 109 6.642 0.975 0.232 1.00 53.32 H new ATOM 0 HD1 HIS A 109 6.406 -1.854 1.726 1.00 72.21 H new ATOM 0 HD2 HIS A 109 9.906 0.366 1.130 1.00 51.54 H new ATOM 0 HE1 HIS A 109 8.327 -3.504 1.817 1.00 22.21 H new ATOM 1747 N ILE A 110 7.329 3.230 3.936 1.00 31.20 N ATOM 1748 CA ILE A 110 7.741 3.498 5.313 1.00 1.13 C ATOM 1749 C ILE A 110 6.551 3.536 6.277 1.00 53.13 C ATOM 1750 O ILE A 110 5.500 2.949 6.018 1.00 33.13 O ATOM 1751 CB ILE A 110 8.545 4.831 5.436 1.00 43.32 C ATOM 1752 CG1 ILE A 110 7.645 6.082 5.308 1.00 72.43 C ATOM 1753 CG2 ILE A 110 9.662 4.877 4.402 1.00 62.33 C ATOM 1754 CD1 ILE A 110 6.996 6.272 3.954 1.00 62.45 C ATOM 0 H ILE A 110 6.609 3.859 3.581 1.00 31.20 H new ATOM 0 HA ILE A 110 8.390 2.668 5.592 1.00 1.13 H new ATOM 0 HB ILE A 110 8.977 4.848 6.436 1.00 43.32 H new ATOM 0 HG12 ILE A 110 6.862 6.026 6.064 1.00 72.43 H new ATOM 0 HG13 ILE A 110 8.243 6.965 5.534 1.00 72.43 H new ATOM 0 HG21 ILE A 110 10.212 5.813 4.502 1.00 62.33 H new ATOM 0 HG22 ILE A 110 10.340 4.039 4.561 1.00 62.33 H new ATOM 0 HG23 ILE A 110 9.234 4.813 3.401 1.00 62.33 H new ATOM 0 HD11 ILE A 110 6.386 7.175 3.966 1.00 62.45 H new ATOM 0 HD12 ILE A 110 7.768 6.366 3.190 1.00 62.45 H new ATOM 0 HD13 ILE A 110 6.366 5.412 3.729 1.00 62.45 H new ATOM 1766 N PHE A 111 6.745 4.220 7.395 1.00 65.04 N ATOM 1767 CA PHE A 111 5.748 4.322 8.447 1.00 25.12 C ATOM 1768 C PHE A 111 4.793 5.504 8.194 1.00 1.51 C ATOM 1769 O PHE A 111 5.020 6.316 7.297 1.00 64.53 O ATOM 1770 CB PHE A 111 6.479 4.474 9.791 1.00 70.30 C ATOM 1771 CG PHE A 111 5.584 4.543 10.990 1.00 4.30 C ATOM 1772 CD1 PHE A 111 4.942 3.411 11.460 1.00 54.13 C ATOM 1773 CD2 PHE A 111 5.379 5.745 11.642 1.00 43.40 C ATOM 1774 CE1 PHE A 111 4.113 3.478 12.560 1.00 50.32 C ATOM 1775 CE2 PHE A 111 4.550 5.820 12.740 1.00 34.52 C ATOM 1776 CZ PHE A 111 3.915 4.684 13.202 1.00 0.44 C ATOM 0 H PHE A 111 7.608 4.724 7.598 1.00 65.04 H new ATOM 0 HA PHE A 111 5.135 3.421 8.463 1.00 25.12 H new ATOM 0 HB2 PHE A 111 7.163 3.634 9.914 1.00 70.30 H new ATOM 0 HB3 PHE A 111 7.088 5.378 9.757 1.00 70.30 H new ATOM 0 HD1 PHE A 111 5.092 2.465 10.960 1.00 54.13 H new ATOM 0 HD2 PHE A 111 5.875 6.636 11.286 1.00 43.40 H new ATOM 0 HE1 PHE A 111 3.619 2.587 12.919 1.00 50.32 H new ATOM 0 HE2 PHE A 111 4.397 6.766 13.239 1.00 34.52 H new ATOM 0 HZ PHE A 111 3.265 4.739 14.063 1.00 0.44 H new ATOM 1786 N MET A 112 3.713 5.545 8.975 1.00 44.01 N ATOM 1787 CA MET A 112 2.723 6.632 8.975 1.00 31.21 C ATOM 1788 C MET A 112 3.366 8.012 8.807 1.00 32.52 C ATOM 1789 O MET A 112 4.081 8.474 9.696 1.00 24.12 O ATOM 1790 CB MET A 112 1.957 6.577 10.309 1.00 64.11 C ATOM 1791 CG MET A 112 0.989 7.726 10.573 1.00 15.43 C ATOM 1792 SD MET A 112 -0.601 7.527 9.742 1.00 23.10 S ATOM 1793 CE MET A 112 -0.322 8.453 8.243 1.00 20.02 C ATOM 0 H MET A 112 3.493 4.806 9.643 1.00 44.01 H new ATOM 0 HA MET A 112 2.055 6.491 8.126 1.00 31.21 H new ATOM 0 HB2 MET A 112 1.398 5.642 10.346 1.00 64.11 H new ATOM 0 HB3 MET A 112 2.683 6.546 11.121 1.00 64.11 H new ATOM 0 HG2 MET A 112 0.822 7.811 11.647 1.00 15.43 H new ATOM 0 HG3 MET A 112 1.447 8.660 10.247 1.00 15.43 H new ATOM 0 HE1 MET A 112 -0.944 8.049 7.444 1.00 20.02 H new ATOM 0 HE2 MET A 112 -0.579 9.499 8.409 1.00 20.02 H new ATOM 0 HE3 MET A 112 0.728 8.378 7.959 1.00 20.02 H new ATOM 1803 N THR A 113 3.104 8.657 7.661 1.00 70.12 N ATOM 1804 CA THR A 113 3.594 10.019 7.405 1.00 23.34 C ATOM 1805 C THR A 113 3.271 10.507 5.979 1.00 52.13 C ATOM 1806 O THR A 113 3.320 11.711 5.712 1.00 51.30 O ATOM 1807 CB THR A 113 5.122 10.141 7.638 1.00 11.12 C ATOM 1808 OG1 THR A 113 5.507 11.520 7.635 1.00 11.02 O ATOM 1809 CG2 THR A 113 5.912 9.397 6.565 1.00 72.42 C ATOM 0 H THR A 113 2.557 8.258 6.898 1.00 70.12 H new ATOM 0 HA THR A 113 3.067 10.651 8.120 1.00 23.34 H new ATOM 0 HB THR A 113 5.347 9.692 8.605 1.00 11.12 H new ATOM 0 HG1 THR A 113 4.847 12.043 7.134 1.00 11.02 H new ATOM 0 HG21 THR A 113 6.979 9.504 6.759 1.00 72.42 H new ATOM 0 HG22 THR A 113 5.644 8.341 6.582 1.00 72.42 H new ATOM 0 HG23 THR A 113 5.678 9.815 5.586 1.00 72.42 H new ATOM 1817 N LEU A 114 2.925 9.580 5.076 1.00 74.32 N ATOM 1818 CA LEU A 114 2.731 9.892 3.649 1.00 15.14 C ATOM 1819 C LEU A 114 1.873 11.145 3.394 1.00 25.12 C ATOM 1820 O LEU A 114 2.302 12.021 2.643 1.00 20.32 O ATOM 1821 CB LEU A 114 2.130 8.689 2.913 1.00 52.33 C ATOM 1822 CG LEU A 114 2.900 8.226 1.675 1.00 13.53 C ATOM 1823 CD1 LEU A 114 2.904 9.303 0.597 1.00 3.43 C ATOM 1824 CD2 LEU A 114 4.319 7.843 2.055 1.00 62.35 C ATOM 0 H LEU A 114 2.772 8.599 5.309 1.00 74.32 H new ATOM 0 HA LEU A 114 3.724 10.114 3.257 1.00 15.14 H new ATOM 0 HB2 LEU A 114 2.062 7.854 3.611 1.00 52.33 H new ATOM 0 HB3 LEU A 114 1.112 8.939 2.614 1.00 52.33 H new ATOM 0 HG LEU A 114 2.397 7.349 1.267 1.00 13.53 H new ATOM 0 HD11 LEU A 114 3.458 8.947 -0.271 1.00 3.43 H new ATOM 0 HD12 LEU A 114 1.879 9.529 0.305 1.00 3.43 H new ATOM 0 HD13 LEU A 114 3.378 10.205 0.985 1.00 3.43 H new ATOM 0 HD21 LEU A 114 4.858 7.515 1.166 1.00 62.35 H new ATOM 0 HD22 LEU A 114 4.825 8.706 2.488 1.00 62.35 H new ATOM 0 HD23 LEU A 114 4.294 7.033 2.784 1.00 62.35 H new ATOM 1836 N PRO A 115 0.657 11.255 3.982 1.00 0.12 N ATOM 1837 CA PRO A 115 -0.220 12.421 3.763 1.00 62.35 C ATOM 1838 C PRO A 115 0.489 13.755 4.017 1.00 13.03 C ATOM 1839 O PRO A 115 0.301 14.719 3.278 1.00 24.42 O ATOM 1840 CB PRO A 115 -1.377 12.229 4.759 1.00 23.31 C ATOM 1841 CG PRO A 115 -0.953 11.128 5.670 1.00 74.33 C ATOM 1842 CD PRO A 115 0.022 10.272 4.871 1.00 4.02 C ATOM 0 HA PRO A 115 -0.550 12.469 2.725 1.00 62.35 H new ATOM 0 HB2 PRO A 115 -1.568 13.146 5.317 1.00 23.31 H new ATOM 0 HB3 PRO A 115 -2.301 11.973 4.240 1.00 23.31 H new ATOM 0 HG2 PRO A 115 -0.478 11.525 6.567 1.00 74.33 H new ATOM 0 HG3 PRO A 115 -1.811 10.540 5.997 1.00 74.33 H new ATOM 0 HD2 PRO A 115 0.750 9.778 5.515 1.00 4.02 H new ATOM 0 HD3 PRO A 115 -0.490 9.490 4.311 1.00 4.02 H new ATOM 1850 N THR A 116 1.317 13.799 5.052 1.00 65.41 N ATOM 1851 CA THR A 116 2.060 15.007 5.373 1.00 30.24 C ATOM 1852 C THR A 116 3.279 15.139 4.467 1.00 2.21 C ATOM 1853 O THR A 116 3.631 16.242 4.037 1.00 43.21 O ATOM 1854 CB THR A 116 2.504 15.009 6.846 1.00 62.05 C ATOM 1855 OG1 THR A 116 1.364 14.808 7.692 1.00 41.32 O ATOM 1856 CG2 THR A 116 3.188 16.318 7.212 1.00 21.42 C ATOM 0 H THR A 116 1.490 13.015 5.681 1.00 65.41 H new ATOM 0 HA THR A 116 1.399 15.858 5.210 1.00 30.24 H new ATOM 0 HB THR A 116 3.219 14.199 6.989 1.00 62.05 H new ATOM 0 HG1 THR A 116 1.649 14.808 8.630 1.00 41.32 H new ATOM 0 HG21 THR A 116 3.491 16.290 8.259 1.00 21.42 H new ATOM 0 HG22 THR A 116 4.068 16.457 6.584 1.00 21.42 H new ATOM 0 HG23 THR A 116 2.496 17.146 7.056 1.00 21.42 H new ATOM 1864 N ALA A 117 3.903 14.004 4.168 1.00 20.22 N ATOM 1865 CA ALA A 117 5.086 13.969 3.320 1.00 54.00 C ATOM 1866 C ALA A 117 4.809 14.599 1.960 1.00 55.03 C ATOM 1867 O ALA A 117 5.464 15.570 1.580 1.00 74.32 O ATOM 1868 CB ALA A 117 5.575 12.538 3.150 1.00 5.10 C ATOM 0 H ALA A 117 3.604 13.089 4.505 1.00 20.22 H new ATOM 0 HA ALA A 117 5.866 14.552 3.809 1.00 54.00 H new ATOM 0 HB1 ALA A 117 6.460 12.529 2.514 1.00 5.10 H new ATOM 0 HB2 ALA A 117 5.825 12.121 4.125 1.00 5.10 H new ATOM 0 HB3 ALA A 117 4.791 11.938 2.689 1.00 5.10 H new ATOM 1874 N VAL A 118 3.826 14.063 1.241 1.00 31.23 N ATOM 1875 CA VAL A 118 3.504 14.555 -0.097 1.00 22.14 C ATOM 1876 C VAL A 118 3.130 16.033 -0.072 1.00 43.41 C ATOM 1877 O VAL A 118 3.526 16.794 -0.953 1.00 62.43 O ATOM 1878 CB VAL A 118 2.370 13.743 -0.768 1.00 72.24 C ATOM 1879 CG1 VAL A 118 2.850 12.344 -1.113 1.00 34.44 C ATOM 1880 CG2 VAL A 118 1.134 13.674 0.118 1.00 21.50 C ATOM 0 H VAL A 118 3.240 13.291 1.560 1.00 31.23 H new ATOM 0 HA VAL A 118 4.408 14.426 -0.692 1.00 22.14 H new ATOM 0 HB VAL A 118 2.094 14.258 -1.688 1.00 72.24 H new ATOM 0 HG11 VAL A 118 2.040 11.787 -1.584 1.00 34.44 H new ATOM 0 HG12 VAL A 118 3.694 12.408 -1.800 1.00 34.44 H new ATOM 0 HG13 VAL A 118 3.161 11.831 -0.203 1.00 34.44 H new ATOM 0 HG21 VAL A 118 0.358 13.097 -0.384 1.00 21.50 H new ATOM 0 HG22 VAL A 118 1.390 13.194 1.062 1.00 21.50 H new ATOM 0 HG23 VAL A 118 0.768 14.682 0.311 1.00 21.50 H new ATOM 1890 N GLN A 119 2.394 16.443 0.955 1.00 13.35 N ATOM 1891 CA GLN A 119 1.998 17.836 1.102 1.00 41.12 C ATOM 1892 C GLN A 119 3.230 18.730 1.223 1.00 32.11 C ATOM 1893 O GLN A 119 3.341 19.752 0.545 1.00 63.32 O ATOM 1894 CB GLN A 119 1.105 18.002 2.334 1.00 52.25 C ATOM 1895 CG GLN A 119 0.613 19.425 2.548 1.00 52.34 C ATOM 1896 CD GLN A 119 -0.237 19.574 3.798 1.00 44.14 C ATOM 1897 OE1 GLN A 119 -1.139 20.409 3.851 1.00 30.12 O ATOM 1898 NE2 GLN A 119 0.051 18.779 4.818 1.00 63.32 N ATOM 0 H GLN A 119 2.060 15.829 1.698 1.00 13.35 H new ATOM 0 HA GLN A 119 1.437 18.134 0.216 1.00 41.12 H new ATOM 0 HB2 GLN A 119 0.244 17.340 2.239 1.00 52.25 H new ATOM 0 HB3 GLN A 119 1.657 17.682 3.217 1.00 52.25 H new ATOM 0 HG2 GLN A 119 1.471 20.094 2.616 1.00 52.34 H new ATOM 0 HG3 GLN A 119 0.032 19.738 1.680 1.00 52.34 H new ATOM 0 HE21 GLN A 119 0.806 18.098 4.737 1.00 63.32 H new ATOM 0 HE22 GLN A 119 -0.483 18.847 5.685 1.00 63.32 H new ATOM 1907 N ALA A 120 4.164 18.316 2.071 1.00 63.41 N ATOM 1908 CA ALA A 120 5.383 19.075 2.303 1.00 2.24 C ATOM 1909 C ALA A 120 6.248 19.137 1.050 1.00 20.34 C ATOM 1910 O ALA A 120 6.777 20.189 0.696 1.00 75.10 O ATOM 1911 CB ALA A 120 6.167 18.468 3.454 1.00 43.33 C ATOM 0 H ALA A 120 4.098 17.453 2.611 1.00 63.41 H new ATOM 0 HA ALA A 120 5.099 20.095 2.563 1.00 2.24 H new ATOM 0 HB1 ALA A 120 7.077 19.045 3.618 1.00 43.33 H new ATOM 0 HB2 ALA A 120 5.558 18.485 4.358 1.00 43.33 H new ATOM 0 HB3 ALA A 120 6.429 17.438 3.213 1.00 43.33 H new ATOM 1917 N PHE A 121 6.369 18.009 0.364 1.00 61.54 N ATOM 1918 CA PHE A 121 7.232 17.926 -0.809 1.00 33.32 C ATOM 1919 C PHE A 121 6.609 18.611 -2.024 1.00 53.34 C ATOM 1920 O PHE A 121 7.301 18.891 -3.002 1.00 13.15 O ATOM 1921 CB PHE A 121 7.557 16.468 -1.144 1.00 70.11 C ATOM 1922 CG PHE A 121 8.390 15.780 -0.096 1.00 31.22 C ATOM 1923 CD1 PHE A 121 9.553 16.367 0.377 1.00 11.45 C ATOM 1924 CD2 PHE A 121 8.017 14.545 0.408 1.00 1.40 C ATOM 1925 CE1 PHE A 121 10.325 15.735 1.334 1.00 4.54 C ATOM 1926 CE2 PHE A 121 8.785 13.911 1.366 1.00 75.12 C ATOM 1927 CZ PHE A 121 9.941 14.506 1.828 1.00 55.52 C ATOM 0 H PHE A 121 5.884 17.142 0.597 1.00 61.54 H new ATOM 0 HA PHE A 121 8.155 18.450 -0.563 1.00 33.32 H new ATOM 0 HB2 PHE A 121 6.625 15.918 -1.275 1.00 70.11 H new ATOM 0 HB3 PHE A 121 8.085 16.432 -2.097 1.00 70.11 H new ATOM 0 HD1 PHE A 121 9.860 17.329 -0.006 1.00 11.45 H new ATOM 0 HD2 PHE A 121 7.115 14.072 0.048 1.00 1.40 H new ATOM 0 HE1 PHE A 121 11.229 16.204 1.695 1.00 4.54 H new ATOM 0 HE2 PHE A 121 8.480 12.950 1.753 1.00 75.12 H new ATOM 0 HZ PHE A 121 10.544 14.010 2.575 1.00 55.52 H new ATOM 1937 N ARG A 122 5.308 18.879 -1.975 1.00 4.41 N ATOM 1938 CA ARG A 122 4.632 19.512 -3.104 1.00 30.02 C ATOM 1939 C ARG A 122 4.639 21.034 -3.011 1.00 10.20 C ATOM 1940 O ARG A 122 4.570 21.715 -4.036 1.00 13.12 O ATOM 1941 CB ARG A 122 3.200 18.985 -3.262 1.00 51.33 C ATOM 1942 CG ARG A 122 3.143 17.616 -3.924 1.00 32.32 C ATOM 1943 CD ARG A 122 3.718 17.669 -5.332 1.00 32.42 C ATOM 1944 NE ARG A 122 4.015 16.343 -5.869 1.00 34.20 N ATOM 1945 CZ ARG A 122 5.248 15.839 -5.948 1.00 75.32 C ATOM 1946 NH1 ARG A 122 6.278 16.492 -5.419 1.00 2.22 N ATOM 1947 NH2 ARG A 122 5.455 14.678 -6.545 1.00 3.10 N ATOM 0 H ARG A 122 4.707 18.672 -1.178 1.00 4.41 H new ATOM 0 HA ARG A 122 5.200 19.243 -3.995 1.00 30.02 H new ATOM 0 HB2 ARG A 122 2.729 18.929 -2.281 1.00 51.33 H new ATOM 0 HB3 ARG A 122 2.621 19.694 -3.854 1.00 51.33 H new ATOM 0 HG2 ARG A 122 3.701 16.895 -3.326 1.00 32.32 H new ATOM 0 HG3 ARG A 122 2.111 17.268 -3.961 1.00 32.32 H new ATOM 0 HD2 ARG A 122 3.011 18.173 -5.990 1.00 32.42 H new ATOM 0 HD3 ARG A 122 4.629 18.267 -5.326 1.00 32.42 H new ATOM 0 HE ARG A 122 3.238 15.772 -6.201 1.00 34.20 H new ATOM 0 HH11 ARG A 122 6.129 17.385 -4.949 1.00 2.22 H new ATOM 0 HH12 ARG A 122 7.218 16.100 -5.483 1.00 2.22 H new ATOM 0 HH21 ARG A 122 4.671 14.164 -6.947 1.00 3.10 H new ATOM 0 HH22 ARG A 122 6.399 14.296 -6.604 1.00 3.10 H new ATOM 1961 N ARG A 123 4.724 21.579 -1.804 1.00 22.04 N ATOM 1962 CA ARG A 123 4.764 23.032 -1.661 1.00 15.52 C ATOM 1963 C ARG A 123 6.180 23.511 -1.335 1.00 75.03 C ATOM 1964 O ARG A 123 6.510 24.673 -1.568 1.00 65.43 O ATOM 1965 CB ARG A 123 3.764 23.529 -0.599 1.00 2.20 C ATOM 1966 CG ARG A 123 4.362 23.751 0.784 1.00 62.53 C ATOM 1967 CD ARG A 123 4.572 22.450 1.535 1.00 32.30 C ATOM 1968 NE ARG A 123 5.574 22.591 2.587 1.00 55.13 N ATOM 1969 CZ ARG A 123 5.380 22.270 3.862 1.00 30.24 C ATOM 1970 NH1 ARG A 123 4.185 21.873 4.281 1.00 24.14 N ATOM 1971 NH2 ARG A 123 6.379 22.371 4.724 1.00 43.24 N ATOM 0 H ARG A 123 4.766 21.055 -0.930 1.00 22.04 H new ATOM 0 HA ARG A 123 4.467 23.460 -2.619 1.00 15.52 H new ATOM 0 HB2 ARG A 123 3.324 24.465 -0.944 1.00 2.20 H new ATOM 0 HB3 ARG A 123 2.953 22.806 -0.517 1.00 2.20 H new ATOM 0 HG2 ARG A 123 5.316 24.270 0.686 1.00 62.53 H new ATOM 0 HG3 ARG A 123 3.704 24.400 1.362 1.00 62.53 H new ATOM 0 HD2 ARG A 123 3.628 22.126 1.973 1.00 32.30 H new ATOM 0 HD3 ARG A 123 4.884 21.673 0.837 1.00 32.30 H new ATOM 0 HE ARG A 123 6.487 22.962 2.325 1.00 55.13 H new ATOM 0 HH11 ARG A 123 3.408 21.813 3.623 1.00 24.14 H new ATOM 0 HH12 ARG A 123 4.044 21.628 5.261 1.00 24.14 H new ATOM 0 HH21 ARG A 123 7.294 22.694 4.409 1.00 43.24 H new ATOM 0 HH22 ARG A 123 6.234 22.126 5.703 1.00 43.24 H new ATOM 1985 N ARG A 124 7.008 22.595 -0.821 1.00 34.42 N ATOM 1986 CA ARG A 124 8.374 22.909 -0.384 1.00 44.42 C ATOM 1987 C ARG A 124 8.361 23.857 0.812 1.00 35.15 C ATOM 1988 O ARG A 124 8.686 25.048 0.637 1.00 72.11 O ATOM 1989 CB ARG A 124 9.204 23.509 -1.526 1.00 1.33 C ATOM 1990 CG ARG A 124 9.675 22.494 -2.553 1.00 30.23 C ATOM 1991 CD ARG A 124 10.585 21.456 -1.924 1.00 40.13 C ATOM 1992 NE ARG A 124 11.358 20.731 -2.929 1.00 71.23 N ATOM 1993 CZ ARG A 124 11.856 19.508 -2.753 1.00 23.14 C ATOM 1994 NH1 ARG A 124 11.630 18.843 -1.630 1.00 24.55 N ATOM 1995 NH2 ARG A 124 12.588 18.943 -3.703 1.00 42.31 N ATOM 0 H ARG A 124 6.751 21.616 -0.696 1.00 34.42 H new ATOM 0 HA ARG A 124 8.841 21.972 -0.081 1.00 44.42 H new ATOM 0 HB2 ARG A 124 8.610 24.271 -2.031 1.00 1.33 H new ATOM 0 HB3 ARG A 124 10.074 24.012 -1.103 1.00 1.33 H new ATOM 0 HG2 ARG A 124 8.813 22.001 -3.002 1.00 30.23 H new ATOM 0 HG3 ARG A 124 10.204 23.006 -3.357 1.00 30.23 H new ATOM 0 HD2 ARG A 124 11.265 21.944 -1.225 1.00 40.13 H new ATOM 0 HD3 ARG A 124 9.987 20.751 -1.347 1.00 40.13 H new ATOM 0 HE ARG A 124 11.528 21.191 -3.824 1.00 71.23 H new ATOM 0 HH11 ARG A 124 11.070 19.267 -0.890 1.00 24.55 H new ATOM 0 HH12 ARG A 124 12.016 17.907 -1.505 1.00 24.55 H new ATOM 0 HH21 ARG A 124 12.771 19.445 -4.572 1.00 42.31 H new ATOM 0 HH22 ARG A 124 12.968 18.006 -3.565 1.00 42.31 H new TER 2009 ARG A 124