USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 779 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 41 MET CE :methyl -157:sc= -0.146 (180deg=-0.775) USER MOD Set 1.2: A 43 MET CE :methyl 156:sc= -0.617 (180deg=-1.21) USER MOD Set 2.1: A 30 SER OG : rot -75:sc= 0.496 USER MOD Set 2.2: A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -0.835 K(o=-0.84,f=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -0.142 X(o=-0.14,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -156:sc= 1.04 (180deg=0.416) USER MOD Single : A 12 SER OG : rot -30:sc= 0.378 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 10:sc= 0.0243 USER MOD Single : A 33 ASN : amide:sc= -0.151 X(o=-0.15,f=-0.34) USER MOD Single : A 36 HIS : no HE2:sc= 0.0506 K(o=0.051,f=-5.5!) USER MOD Single : A 38 MET CE :methyl -162:sc= -0.479 (180deg=-1.13) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -142:sc= 0.728 (180deg=-0.0534) USER MOD Single : A 59 SER OG : rot -109:sc= 0.586 USER MOD Single : A 63 TYR OH : rot 180:sc= 0.142 USER MOD Single : A 65 TYR OH : rot 70:sc= -0.672 USER MOD Single : A 71 GLN : amide:sc= -2.16! C(o=-2.2!,f=-5.7!) USER MOD Single : A 72 THR OG1 : rot 113:sc= 0.466 USER MOD Single : A 73 SER OG : rot -48:sc= 0.277 USER MOD Single : A 74 GLN : amide:sc= -0.831 K(o=-0.83,f=-0.0095) USER MOD Single : A 77 ASN : amide:sc= -0.0202 K(o=-0.02,f=-0.87) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HE2:sc= -0.311 X(o=-0.31,f=-0.75) USER MOD Single : A 88 SER OG : rot 180:sc= -0.0676 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 49 N GLN A 4 4.605 -0.127 11.108 1.00 5.51 N ATOM 50 CA GLN A 4 5.192 -0.887 9.998 1.00 12.34 C ATOM 51 C GLN A 4 4.792 -2.367 10.098 1.00 34.33 C ATOM 52 O GLN A 4 5.131 -3.044 11.072 1.00 42.30 O ATOM 53 CB GLN A 4 6.720 -0.763 10.014 1.00 73.35 C ATOM 54 CG GLN A 4 7.233 0.673 9.985 1.00 62.21 C ATOM 55 CD GLN A 4 8.753 0.762 9.955 1.00 24.22 C ATOM 56 OE1 GLN A 4 9.322 1.695 9.400 1.00 44.40 O ATOM 57 NE2 GLN A 4 9.423 -0.200 10.559 1.00 10.33 N ATOM 0 HA GLN A 4 4.813 -0.477 9.062 1.00 12.34 H new ATOM 0 HB2 GLN A 4 7.104 -1.256 10.908 1.00 73.35 H new ATOM 0 HB3 GLN A 4 7.125 -1.299 9.156 1.00 73.35 H new ATOM 0 HG2 GLN A 4 6.828 1.180 9.109 1.00 62.21 H new ATOM 0 HG3 GLN A 4 6.861 1.204 10.861 1.00 62.21 H new ATOM 0 HE21 GLN A 4 8.921 -0.964 11.012 1.00 10.33 H new ATOM 0 HE22 GLN A 4 10.443 -0.180 10.573 1.00 10.33 H new ATOM 66 N SER A 5 4.079 -2.867 9.093 1.00 52.12 N ATOM 67 CA SER A 5 3.557 -4.246 9.119 1.00 24.15 C ATOM 68 C SER A 5 4.210 -5.129 8.052 1.00 14.44 C ATOM 69 O SER A 5 4.516 -4.673 6.951 1.00 2.43 O ATOM 70 CB SER A 5 2.039 -4.239 8.911 1.00 31.01 C ATOM 71 OG SER A 5 1.496 -5.548 9.009 1.00 14.54 O ATOM 0 H SER A 5 3.845 -2.346 8.248 1.00 52.12 H new ATOM 0 HA SER A 5 3.799 -4.663 10.096 1.00 24.15 H new ATOM 0 HB2 SER A 5 1.571 -3.593 9.654 1.00 31.01 H new ATOM 0 HB3 SER A 5 1.806 -3.819 7.932 1.00 31.01 H new ATOM 0 HG SER A 5 0.526 -5.511 8.873 1.00 14.54 H new ATOM 77 N ASP A 6 4.421 -6.399 8.389 1.00 41.54 N ATOM 78 CA ASP A 6 4.979 -7.369 7.444 1.00 12.24 C ATOM 79 C ASP A 6 3.914 -7.858 6.451 1.00 15.12 C ATOM 80 O ASP A 6 2.745 -8.020 6.807 1.00 74.13 O ATOM 81 CB ASP A 6 5.570 -8.569 8.190 1.00 1.11 C ATOM 82 CG ASP A 6 6.811 -8.202 8.982 1.00 52.31 C ATOM 83 OD1 ASP A 6 7.922 -8.273 8.416 1.00 44.42 O ATOM 84 OD2 ASP A 6 6.681 -7.847 10.170 1.00 2.41 O ATOM 0 H ASP A 6 4.214 -6.783 9.311 1.00 41.54 H new ATOM 0 HA ASP A 6 5.769 -6.865 6.887 1.00 12.24 H new ATOM 0 HB2 ASP A 6 4.819 -8.980 8.865 1.00 1.11 H new ATOM 0 HB3 ASP A 6 5.817 -9.353 7.474 1.00 1.11 H new ATOM 89 N ALA A 7 4.331 -8.116 5.213 1.00 11.51 N ATOM 90 CA ALA A 7 3.421 -8.618 4.176 1.00 61.54 C ATOM 91 C ALA A 7 2.665 -9.870 4.643 1.00 42.22 C ATOM 92 O ALA A 7 1.487 -10.052 4.330 1.00 72.33 O ATOM 93 CB ALA A 7 4.195 -8.910 2.900 1.00 2.50 C ATOM 0 H ALA A 7 5.293 -7.987 4.900 1.00 11.51 H new ATOM 0 HA ALA A 7 2.680 -7.843 3.977 1.00 61.54 H new ATOM 0 HB1 ALA A 7 3.511 -9.282 2.137 1.00 2.50 H new ATOM 0 HB2 ALA A 7 4.671 -7.996 2.546 1.00 2.50 H new ATOM 0 HB3 ALA A 7 4.958 -9.662 3.101 1.00 2.50 H new ATOM 99 N HIS A 8 3.349 -10.720 5.411 1.00 40.45 N ATOM 100 CA HIS A 8 2.755 -11.941 5.947 1.00 10.30 C ATOM 101 C HIS A 8 1.599 -11.635 6.912 1.00 62.34 C ATOM 102 O HIS A 8 0.580 -12.328 6.914 1.00 43.44 O ATOM 103 CB HIS A 8 3.849 -12.770 6.637 1.00 21.32 C ATOM 104 CG HIS A 8 3.323 -13.819 7.559 1.00 31.42 C ATOM 105 ND1 HIS A 8 3.042 -15.108 7.171 1.00 62.35 N ATOM 106 CD2 HIS A 8 3.006 -13.745 8.866 1.00 2.24 C ATOM 107 CE1 HIS A 8 2.572 -15.778 8.202 1.00 62.13 C ATOM 108 NE2 HIS A 8 2.539 -14.976 9.246 1.00 45.44 N ATOM 0 H HIS A 8 4.324 -10.581 5.676 1.00 40.45 H new ATOM 0 HA HIS A 8 2.330 -12.516 5.124 1.00 10.30 H new ATOM 0 HB2 HIS A 8 4.465 -13.246 5.874 1.00 21.32 H new ATOM 0 HB3 HIS A 8 4.499 -12.099 7.199 1.00 21.32 H new ATOM 0 HD2 HIS A 8 3.102 -12.875 9.499 1.00 2.24 H new ATOM 0 HE1 HIS A 8 2.265 -16.813 8.193 1.00 62.13 H new ATOM 0 HE2 HIS A 8 2.219 -15.229 10.181 1.00 45.44 H new ATOM 117 N VAL A 9 1.759 -10.597 7.723 1.00 43.21 N ATOM 118 CA VAL A 9 0.741 -10.225 8.710 1.00 13.00 C ATOM 119 C VAL A 9 -0.477 -9.575 8.035 1.00 24.12 C ATOM 120 O VAL A 9 -1.623 -9.844 8.402 1.00 52.41 O ATOM 121 CB VAL A 9 1.333 -9.276 9.779 1.00 2.14 C ATOM 122 CG1 VAL A 9 0.269 -8.847 10.789 1.00 31.12 C ATOM 123 CG2 VAL A 9 2.515 -9.947 10.482 1.00 32.24 C ATOM 0 H VAL A 9 2.582 -9.995 7.720 1.00 43.21 H new ATOM 0 HA VAL A 9 0.409 -11.139 9.202 1.00 13.00 H new ATOM 0 HB VAL A 9 1.690 -8.376 9.278 1.00 2.14 H new ATOM 0 HG11 VAL A 9 0.716 -8.181 11.527 1.00 31.12 H new ATOM 0 HG12 VAL A 9 -0.536 -8.326 10.270 1.00 31.12 H new ATOM 0 HG13 VAL A 9 -0.132 -9.727 11.291 1.00 31.12 H new ATOM 0 HG21 VAL A 9 2.924 -9.270 11.232 1.00 32.24 H new ATOM 0 HG22 VAL A 9 2.178 -10.864 10.966 1.00 32.24 H new ATOM 0 HG23 VAL A 9 3.286 -10.185 9.750 1.00 32.24 H new ATOM 133 N LEU A 10 -0.228 -8.727 7.039 1.00 1.31 N ATOM 134 CA LEU A 10 -1.314 -8.129 6.253 1.00 24.41 C ATOM 135 C LEU A 10 -2.119 -9.209 5.506 1.00 75.11 C ATOM 136 O LEU A 10 -3.351 -9.212 5.532 1.00 15.22 O ATOM 137 CB LEU A 10 -0.759 -7.099 5.255 1.00 25.52 C ATOM 138 CG LEU A 10 -1.801 -6.470 4.314 1.00 10.32 C ATOM 139 CD1 LEU A 10 -2.911 -5.797 5.113 1.00 4.35 C ATOM 140 CD2 LEU A 10 -1.139 -5.478 3.356 1.00 43.21 C ATOM 0 H LEU A 10 0.708 -8.438 6.756 1.00 1.31 H new ATOM 0 HA LEU A 10 -1.984 -7.621 6.946 1.00 24.41 H new ATOM 0 HB2 LEU A 10 -0.270 -6.301 5.815 1.00 25.52 H new ATOM 0 HB3 LEU A 10 0.009 -7.581 4.650 1.00 25.52 H new ATOM 0 HG LEU A 10 -2.247 -7.266 3.718 1.00 10.32 H new ATOM 0 HD11 LEU A 10 -3.637 -5.359 4.429 1.00 4.35 H new ATOM 0 HD12 LEU A 10 -3.406 -6.537 5.743 1.00 4.35 H new ATOM 0 HD13 LEU A 10 -2.485 -5.014 5.740 1.00 4.35 H new ATOM 0 HD21 LEU A 10 -1.895 -5.046 2.700 1.00 43.21 H new ATOM 0 HD22 LEU A 10 -0.659 -4.685 3.929 1.00 43.21 H new ATOM 0 HD23 LEU A 10 -0.391 -5.996 2.756 1.00 43.21 H new ATOM 152 N LYS A 11 -1.410 -10.131 4.851 1.00 34.14 N ATOM 153 CA LYS A 11 -2.047 -11.215 4.093 1.00 61.42 C ATOM 154 C LYS A 11 -2.944 -12.085 4.986 1.00 44.45 C ATOM 155 O LYS A 11 -4.046 -12.469 4.594 1.00 61.45 O ATOM 156 CB LYS A 11 -0.978 -12.092 3.427 1.00 61.22 C ATOM 157 CG LYS A 11 -1.552 -13.193 2.541 1.00 52.23 C ATOM 158 CD LYS A 11 -0.496 -14.224 2.153 1.00 10.23 C ATOM 159 CE LYS A 11 -1.116 -15.422 1.438 1.00 24.23 C ATOM 160 NZ LYS A 11 -0.173 -16.563 1.335 1.00 61.43 N ATOM 0 H LYS A 11 -0.390 -10.150 4.829 1.00 34.14 H new ATOM 0 HA LYS A 11 -2.675 -10.756 3.330 1.00 61.42 H new ATOM 0 HB2 LYS A 11 -0.324 -11.459 2.827 1.00 61.22 H new ATOM 0 HB3 LYS A 11 -0.360 -12.546 4.201 1.00 61.22 H new ATOM 0 HG2 LYS A 11 -2.369 -13.690 3.064 1.00 52.23 H new ATOM 0 HG3 LYS A 11 -1.974 -12.749 1.639 1.00 52.23 H new ATOM 0 HD2 LYS A 11 0.247 -13.758 1.506 1.00 10.23 H new ATOM 0 HD3 LYS A 11 0.027 -14.564 3.047 1.00 10.23 H new ATOM 0 HE2 LYS A 11 -2.011 -15.740 1.974 1.00 24.23 H new ATOM 0 HE3 LYS A 11 -1.432 -15.123 0.439 1.00 24.23 H new ATOM 0 HZ1 LYS A 11 -0.446 -17.168 0.534 1.00 61.43 H new ATOM 0 HZ2 LYS A 11 0.791 -16.204 1.185 1.00 61.43 H new ATOM 0 HZ3 LYS A 11 -0.203 -17.118 2.214 1.00 61.43 H new ATOM 174 N SER A 12 -2.478 -12.369 6.197 1.00 10.24 N ATOM 175 CA SER A 12 -3.212 -13.239 7.128 1.00 32.21 C ATOM 176 C SER A 12 -4.403 -12.490 7.715 1.00 3.04 C ATOM 177 O SER A 12 -5.496 -13.039 7.860 1.00 72.03 O ATOM 178 CB SER A 12 -2.298 -13.739 8.256 1.00 21.22 C ATOM 179 OG SER A 12 -1.818 -12.663 9.049 1.00 50.21 O ATOM 0 H SER A 12 -1.595 -12.013 6.563 1.00 10.24 H new ATOM 0 HA SER A 12 -3.570 -14.105 6.572 1.00 32.21 H new ATOM 0 HB2 SER A 12 -2.845 -14.441 8.885 1.00 21.22 H new ATOM 0 HB3 SER A 12 -1.455 -14.283 7.829 1.00 21.22 H new ATOM 0 HG SER A 12 -1.747 -11.856 8.497 1.00 50.21 H new ATOM 185 N ARG A 13 -4.182 -11.226 8.043 1.00 25.43 N ATOM 186 CA ARG A 13 -5.258 -10.332 8.463 1.00 31.20 C ATOM 187 C ARG A 13 -6.325 -10.178 7.357 1.00 21.11 C ATOM 188 O ARG A 13 -7.498 -9.947 7.642 1.00 13.42 O ATOM 189 CB ARG A 13 -4.673 -8.965 8.861 1.00 64.40 C ATOM 190 CG ARG A 13 -5.705 -7.850 8.906 1.00 25.13 C ATOM 191 CD ARG A 13 -5.133 -6.530 9.427 1.00 30.31 C ATOM 192 NE ARG A 13 -6.188 -5.548 9.708 1.00 74.35 N ATOM 193 CZ ARG A 13 -5.979 -4.289 10.020 1.00 53.22 C ATOM 194 NH1 ARG A 13 -4.783 -3.794 10.033 1.00 73.33 N ATOM 195 NH2 ARG A 13 -6.979 -3.519 10.311 1.00 55.02 N ATOM 0 H ARG A 13 -3.260 -10.790 8.027 1.00 25.43 H new ATOM 0 HA ARG A 13 -5.754 -10.769 9.330 1.00 31.20 H new ATOM 0 HB2 ARG A 13 -4.202 -9.052 9.840 1.00 64.40 H new ATOM 0 HB3 ARG A 13 -3.889 -8.695 8.153 1.00 64.40 H new ATOM 0 HG2 ARG A 13 -6.109 -7.695 7.906 1.00 25.13 H new ATOM 0 HG3 ARG A 13 -6.536 -8.156 9.542 1.00 25.13 H new ATOM 0 HD2 ARG A 13 -4.560 -6.716 10.335 1.00 30.31 H new ATOM 0 HD3 ARG A 13 -4.441 -6.119 8.692 1.00 30.31 H new ATOM 0 HE ARG A 13 -7.155 -5.867 9.657 1.00 74.35 H new ATOM 0 HH11 ARG A 13 -3.984 -4.384 9.799 1.00 73.33 H new ATOM 0 HH12 ARG A 13 -4.639 -2.814 10.278 1.00 73.33 H new ATOM 0 HH21 ARG A 13 -7.929 -3.890 10.298 1.00 55.02 H new ATOM 0 HH22 ARG A 13 -6.816 -2.542 10.553 1.00 55.02 H new ATOM 209 N LEU A 14 -5.910 -10.319 6.099 1.00 73.44 N ATOM 210 CA LEU A 14 -6.824 -10.254 4.958 1.00 32.52 C ATOM 211 C LEU A 14 -7.626 -11.563 4.795 1.00 42.32 C ATOM 212 O LEU A 14 -8.859 -11.549 4.721 1.00 34.53 O ATOM 213 CB LEU A 14 -6.010 -9.970 3.684 1.00 54.15 C ATOM 214 CG LEU A 14 -6.797 -10.046 2.371 1.00 40.04 C ATOM 215 CD1 LEU A 14 -7.876 -8.967 2.312 1.00 1.10 C ATOM 216 CD2 LEU A 14 -5.863 -9.951 1.164 1.00 15.15 C ATOM 0 H LEU A 14 -4.936 -10.481 5.842 1.00 73.44 H new ATOM 0 HA LEU A 14 -7.542 -9.453 5.132 1.00 32.52 H new ATOM 0 HB2 LEU A 14 -5.571 -8.976 3.768 1.00 54.15 H new ATOM 0 HB3 LEU A 14 -5.184 -10.680 3.635 1.00 54.15 H new ATOM 0 HG LEU A 14 -7.292 -11.016 2.337 1.00 40.04 H new ATOM 0 HD11 LEU A 14 -8.418 -9.045 1.369 1.00 1.10 H new ATOM 0 HD12 LEU A 14 -8.570 -9.101 3.142 1.00 1.10 H new ATOM 0 HD13 LEU A 14 -7.411 -7.984 2.383 1.00 1.10 H new ATOM 0 HD21 LEU A 14 -6.448 -10.008 0.246 1.00 15.15 H new ATOM 0 HD22 LEU A 14 -5.325 -9.003 1.194 1.00 15.15 H new ATOM 0 HD23 LEU A 14 -5.149 -10.774 1.191 1.00 15.15 H new ATOM 228 N GLU A 15 -6.910 -12.686 4.735 1.00 70.34 N ATOM 229 CA GLU A 15 -7.524 -14.001 4.492 1.00 60.44 C ATOM 230 C GLU A 15 -8.263 -14.545 5.732 1.00 73.41 C ATOM 231 O GLU A 15 -9.379 -15.059 5.633 1.00 71.41 O ATOM 232 CB GLU A 15 -6.442 -15.005 4.061 1.00 4.21 C ATOM 233 CG GLU A 15 -5.641 -14.573 2.836 1.00 10.42 C ATOM 234 CD GLU A 15 -4.554 -15.574 2.462 1.00 64.03 C ATOM 235 OE1 GLU A 15 -3.806 -16.011 3.362 1.00 11.10 O ATOM 236 OE2 GLU A 15 -4.437 -15.923 1.268 1.00 50.24 O ATOM 0 H GLU A 15 -5.897 -12.716 4.852 1.00 70.34 H new ATOM 0 HA GLU A 15 -8.262 -13.872 3.700 1.00 60.44 H new ATOM 0 HB2 GLU A 15 -5.756 -15.162 4.893 1.00 4.21 H new ATOM 0 HB3 GLU A 15 -6.915 -15.965 3.852 1.00 4.21 H new ATOM 0 HG2 GLU A 15 -6.318 -14.445 1.991 1.00 10.42 H new ATOM 0 HG3 GLU A 15 -5.185 -13.602 3.029 1.00 10.42 H new ATOM 243 N TRP A 16 -7.620 -14.450 6.890 1.00 33.21 N ATOM 244 CA TRP A 16 -8.162 -14.996 8.146 1.00 60.20 C ATOM 245 C TRP A 16 -8.867 -13.922 8.991 1.00 64.35 C ATOM 246 O TRP A 16 -9.873 -14.201 9.650 1.00 60.11 O ATOM 247 CB TRP A 16 -7.031 -15.632 8.968 1.00 1.22 C ATOM 248 CG TRP A 16 -6.391 -16.815 8.300 1.00 21.23 C ATOM 249 CD1 TRP A 16 -5.722 -16.821 7.112 1.00 74.52 C ATOM 250 CD2 TRP A 16 -6.350 -18.160 8.791 1.00 63.31 C ATOM 251 NE1 TRP A 16 -5.289 -18.090 6.822 1.00 55.44 N ATOM 252 CE2 TRP A 16 -5.656 -18.928 7.840 1.00 13.32 C ATOM 253 CE3 TRP A 16 -6.840 -18.788 9.940 1.00 34.31 C ATOM 254 CZ2 TRP A 16 -5.436 -20.292 8.001 1.00 71.21 C ATOM 255 CZ3 TRP A 16 -6.619 -20.144 10.102 1.00 71.44 C ATOM 256 CH2 TRP A 16 -5.923 -20.885 9.136 1.00 44.11 C ATOM 0 H TRP A 16 -6.712 -13.996 6.993 1.00 33.21 H new ATOM 0 HA TRP A 16 -8.904 -15.749 7.880 1.00 60.20 H new ATOM 0 HB2 TRP A 16 -6.267 -14.879 9.163 1.00 1.22 H new ATOM 0 HB3 TRP A 16 -7.427 -15.942 9.935 1.00 1.22 H new ATOM 0 HD1 TRP A 16 -5.557 -15.954 6.490 1.00 74.52 H new ATOM 0 HE1 TRP A 16 -4.777 -18.364 5.984 1.00 55.44 H new ATOM 0 HE3 TRP A 16 -7.381 -18.225 10.687 1.00 34.31 H new ATOM 0 HZ2 TRP A 16 -4.900 -20.863 7.258 1.00 71.21 H new ATOM 0 HZ3 TRP A 16 -6.989 -20.640 10.987 1.00 71.44 H new ATOM 0 HH2 TRP A 16 -5.768 -21.943 9.290 1.00 44.11 H new ATOM 267 N GLY A 17 -8.330 -12.704 8.977 1.00 34.15 N ATOM 268 CA GLY A 17 -8.872 -11.626 9.803 1.00 31.13 C ATOM 269 C GLY A 17 -10.047 -10.881 9.163 1.00 24.14 C ATOM 270 O GLY A 17 -11.094 -11.470 8.879 1.00 55.00 O ATOM 0 H GLY A 17 -7.526 -12.439 8.408 1.00 34.15 H new ATOM 0 HA2 GLY A 17 -9.195 -12.041 10.758 1.00 31.13 H new ATOM 0 HA3 GLY A 17 -8.077 -10.912 10.018 1.00 31.13 H new ATOM 274 N GLU A 18 -9.868 -9.582 8.930 1.00 72.22 N ATOM 275 CA GLU A 18 -10.933 -8.721 8.399 1.00 71.45 C ATOM 276 C GLU A 18 -10.378 -7.699 7.388 1.00 0.34 C ATOM 277 O GLU A 18 -9.293 -7.149 7.577 1.00 13.44 O ATOM 278 CB GLU A 18 -11.636 -7.991 9.552 1.00 50.11 C ATOM 279 CG GLU A 18 -10.692 -7.151 10.400 1.00 43.32 C ATOM 280 CD GLU A 18 -11.384 -6.488 11.578 1.00 22.33 C ATOM 281 OE1 GLU A 18 -11.515 -7.131 12.640 1.00 52.43 O ATOM 282 OE2 GLU A 18 -11.788 -5.313 11.453 1.00 62.42 O ATOM 0 H GLU A 18 -8.988 -9.095 9.101 1.00 72.22 H new ATOM 0 HA GLU A 18 -11.651 -9.353 7.877 1.00 71.45 H new ATOM 0 HB2 GLU A 18 -12.415 -7.348 9.143 1.00 50.11 H new ATOM 0 HB3 GLU A 18 -12.130 -8.725 10.189 1.00 50.11 H new ATOM 0 HG2 GLU A 18 -9.884 -7.783 10.769 1.00 43.32 H new ATOM 0 HG3 GLU A 18 -10.236 -6.384 9.775 1.00 43.32 H new ATOM 289 N PRO A 19 -11.136 -7.415 6.312 1.00 0.41 N ATOM 290 CA PRO A 19 -10.708 -6.534 5.226 1.00 50.25 C ATOM 291 C PRO A 19 -11.179 -5.078 5.403 1.00 4.34 C ATOM 292 O PRO A 19 -11.587 -4.421 4.442 1.00 15.51 O ATOM 293 CB PRO A 19 -11.380 -7.193 4.012 1.00 54.43 C ATOM 294 CG PRO A 19 -12.611 -7.877 4.548 1.00 25.52 C ATOM 295 CD PRO A 19 -12.484 -7.932 6.057 1.00 44.22 C ATOM 0 HA PRO A 19 -9.624 -6.444 5.156 1.00 50.25 H new ATOM 0 HB2 PRO A 19 -11.642 -6.450 3.258 1.00 54.43 H new ATOM 0 HB3 PRO A 19 -10.711 -7.909 3.535 1.00 54.43 H new ATOM 0 HG2 PRO A 19 -13.509 -7.331 4.259 1.00 25.52 H new ATOM 0 HG3 PRO A 19 -12.702 -8.881 4.134 1.00 25.52 H new ATOM 0 HD2 PRO A 19 -13.245 -7.323 6.545 1.00 44.22 H new ATOM 0 HD3 PRO A 19 -12.600 -8.949 6.432 1.00 44.22 H new ATOM 303 N ALA A 20 -11.091 -4.566 6.628 1.00 52.21 N ATOM 304 CA ALA A 20 -11.490 -3.182 6.927 1.00 24.03 C ATOM 305 C ALA A 20 -10.360 -2.178 6.620 1.00 32.30 C ATOM 306 O ALA A 20 -10.407 -1.020 7.038 1.00 14.11 O ATOM 307 CB ALA A 20 -11.922 -3.072 8.387 1.00 40.34 C ATOM 0 H ALA A 20 -10.747 -5.086 7.435 1.00 52.21 H new ATOM 0 HA ALA A 20 -12.330 -2.928 6.281 1.00 24.03 H new ATOM 0 HB1 ALA A 20 -12.216 -2.045 8.603 1.00 40.34 H new ATOM 0 HB2 ALA A 20 -12.766 -3.737 8.568 1.00 40.34 H new ATOM 0 HB3 ALA A 20 -11.092 -3.355 9.034 1.00 40.34 H new ATOM 313 N PHE A 21 -9.362 -2.627 5.864 1.00 24.30 N ATOM 314 CA PHE A 21 -8.194 -1.803 5.534 1.00 32.51 C ATOM 315 C PHE A 21 -8.082 -1.555 4.020 1.00 65.52 C ATOM 316 O PHE A 21 -8.632 -2.307 3.213 1.00 52.24 O ATOM 317 CB PHE A 21 -6.916 -2.480 6.055 1.00 24.44 C ATOM 318 CG PHE A 21 -6.748 -3.907 5.588 1.00 13.44 C ATOM 319 CD1 PHE A 21 -6.255 -4.188 4.322 1.00 42.04 C ATOM 320 CD2 PHE A 21 -7.086 -4.968 6.418 1.00 33.34 C ATOM 321 CE1 PHE A 21 -6.105 -5.491 3.894 1.00 72.31 C ATOM 322 CE2 PHE A 21 -6.936 -6.272 5.990 1.00 71.23 C ATOM 323 CZ PHE A 21 -6.446 -6.533 4.729 1.00 40.22 C ATOM 0 H PHE A 21 -9.336 -3.565 5.463 1.00 24.30 H new ATOM 0 HA PHE A 21 -8.318 -0.834 6.018 1.00 32.51 H new ATOM 0 HB2 PHE A 21 -6.052 -1.899 5.735 1.00 24.44 H new ATOM 0 HB3 PHE A 21 -6.925 -2.463 7.145 1.00 24.44 H new ATOM 0 HD1 PHE A 21 -5.985 -3.376 3.663 1.00 42.04 H new ATOM 0 HD2 PHE A 21 -7.470 -4.771 7.408 1.00 33.34 H new ATOM 0 HE1 PHE A 21 -5.721 -5.694 2.905 1.00 72.31 H new ATOM 0 HE2 PHE A 21 -7.203 -7.089 6.644 1.00 71.23 H new ATOM 0 HZ PHE A 21 -6.329 -7.553 4.395 1.00 40.22 H new ATOM 333 N THR A 22 -7.363 -0.500 3.641 1.00 24.34 N ATOM 334 CA THR A 22 -7.177 -0.148 2.223 1.00 43.01 C ATOM 335 C THR A 22 -5.693 -0.181 1.820 1.00 0.32 C ATOM 336 O THR A 22 -4.855 0.441 2.469 1.00 2.42 O ATOM 337 CB THR A 22 -7.750 1.260 1.918 1.00 2.44 C ATOM 338 OG1 THR A 22 -9.157 1.301 2.208 1.00 63.14 O ATOM 339 CG2 THR A 22 -7.525 1.644 0.460 1.00 31.52 C ATOM 0 H THR A 22 -6.896 0.131 4.293 1.00 24.34 H new ATOM 0 HA THR A 22 -7.718 -0.895 1.642 1.00 43.01 H new ATOM 0 HB THR A 22 -7.225 1.974 2.553 1.00 2.44 H new ATOM 0 HG1 THR A 22 -9.505 2.196 2.013 1.00 63.14 H new ATOM 0 HG21 THR A 22 -7.938 2.636 0.277 1.00 31.52 H new ATOM 0 HG22 THR A 22 -6.456 1.651 0.246 1.00 31.52 H new ATOM 0 HG23 THR A 22 -8.020 0.920 -0.187 1.00 31.52 H new ATOM 347 N ILE A 23 -5.372 -0.908 0.746 1.00 32.32 N ATOM 348 CA ILE A 23 -3.985 -1.007 0.260 1.00 31.33 C ATOM 349 C ILE A 23 -3.719 0.003 -0.869 1.00 70.11 C ATOM 350 O ILE A 23 -4.451 0.039 -1.859 1.00 3.05 O ATOM 351 CB ILE A 23 -3.643 -2.429 -0.273 1.00 63.13 C ATOM 352 CG1 ILE A 23 -3.941 -3.520 0.775 1.00 1.24 C ATOM 353 CG2 ILE A 23 -2.179 -2.501 -0.710 1.00 41.10 C ATOM 354 CD1 ILE A 23 -5.413 -3.852 0.922 1.00 1.34 C ATOM 0 H ILE A 23 -6.048 -1.437 0.195 1.00 32.32 H new ATOM 0 HA ILE A 23 -3.352 -0.788 1.120 1.00 31.33 H new ATOM 0 HB ILE A 23 -4.281 -2.615 -1.137 1.00 63.13 H new ATOM 0 HG12 ILE A 23 -3.400 -4.427 0.503 1.00 1.24 H new ATOM 0 HG13 ILE A 23 -3.554 -3.196 1.741 1.00 1.24 H new ATOM 0 HG21 ILE A 23 -1.958 -3.502 -1.080 1.00 41.10 H new ATOM 0 HG22 ILE A 23 -2.000 -1.774 -1.502 1.00 41.10 H new ATOM 0 HG23 ILE A 23 -1.534 -2.278 0.140 1.00 41.10 H new ATOM 0 HD11 ILE A 23 -5.537 -4.628 1.678 1.00 1.34 H new ATOM 0 HD12 ILE A 23 -5.959 -2.959 1.225 1.00 1.34 H new ATOM 0 HD13 ILE A 23 -5.802 -4.209 -0.031 1.00 1.34 H new ATOM 366 N LEU A 24 -2.673 0.814 -0.721 1.00 31.24 N ATOM 367 CA LEU A 24 -2.301 1.796 -1.747 1.00 12.10 C ATOM 368 C LEU A 24 -0.978 1.426 -2.430 1.00 44.20 C ATOM 369 O LEU A 24 0.033 1.185 -1.763 1.00 14.03 O ATOM 370 CB LEU A 24 -2.174 3.198 -1.133 1.00 60.03 C ATOM 371 CG LEU A 24 -3.425 3.726 -0.416 1.00 50.32 C ATOM 372 CD1 LEU A 24 -3.249 5.193 -0.027 1.00 0.31 C ATOM 373 CD2 LEU A 24 -4.667 3.533 -1.278 1.00 54.12 C ATOM 0 H LEU A 24 -2.066 0.813 0.099 1.00 31.24 H new ATOM 0 HA LEU A 24 -3.093 1.793 -2.496 1.00 12.10 H new ATOM 0 HB2 LEU A 24 -1.347 3.190 -0.423 1.00 60.03 H new ATOM 0 HB3 LEU A 24 -1.908 3.899 -1.925 1.00 60.03 H new ATOM 0 HG LEU A 24 -3.560 3.150 0.499 1.00 50.32 H new ATOM 0 HD11 LEU A 24 -4.148 5.545 0.479 1.00 0.31 H new ATOM 0 HD12 LEU A 24 -2.393 5.292 0.641 1.00 0.31 H new ATOM 0 HD13 LEU A 24 -3.080 5.789 -0.924 1.00 0.31 H new ATOM 0 HD21 LEU A 24 -5.540 3.915 -0.749 1.00 54.12 H new ATOM 0 HD22 LEU A 24 -4.546 4.074 -2.216 1.00 54.12 H new ATOM 0 HD23 LEU A 24 -4.804 2.472 -1.486 1.00 54.12 H new ATOM 385 N ASP A 25 -0.991 1.380 -3.762 1.00 4.33 N ATOM 386 CA ASP A 25 0.230 1.153 -4.533 1.00 65.22 C ATOM 387 C ASP A 25 0.933 2.481 -4.849 1.00 10.21 C ATOM 388 O ASP A 25 0.513 3.223 -5.736 1.00 64.22 O ATOM 389 CB ASP A 25 -0.076 0.404 -5.830 1.00 73.22 C ATOM 390 CG ASP A 25 1.188 0.140 -6.622 1.00 61.22 C ATOM 391 OD1 ASP A 25 2.184 -0.291 -6.006 1.00 73.45 O ATOM 392 OD2 ASP A 25 1.197 0.353 -7.850 1.00 1.12 O ATOM 0 H ASP A 25 -1.832 1.497 -4.328 1.00 4.33 H new ATOM 0 HA ASP A 25 0.897 0.541 -3.925 1.00 65.22 H new ATOM 0 HB2 ASP A 25 -0.568 -0.541 -5.600 1.00 73.22 H new ATOM 0 HB3 ASP A 25 -0.772 0.987 -6.434 1.00 73.22 H new ATOM 397 N VAL A 26 2.015 2.768 -4.134 1.00 5.11 N ATOM 398 CA VAL A 26 2.683 4.066 -4.255 1.00 3.15 C ATOM 399 C VAL A 26 3.884 4.034 -5.211 1.00 13.14 C ATOM 400 O VAL A 26 4.634 5.004 -5.300 1.00 72.42 O ATOM 401 CB VAL A 26 3.116 4.602 -2.869 1.00 72.30 C ATOM 402 CG1 VAL A 26 1.887 4.836 -1.996 1.00 60.41 C ATOM 403 CG2 VAL A 26 4.103 3.651 -2.195 1.00 1.31 C ATOM 0 H VAL A 26 2.448 2.128 -3.469 1.00 5.11 H new ATOM 0 HA VAL A 26 1.948 4.746 -4.686 1.00 3.15 H new ATOM 0 HB VAL A 26 3.629 5.554 -3.007 1.00 72.30 H new ATOM 0 HG11 VAL A 26 2.199 5.213 -1.022 1.00 60.41 H new ATOM 0 HG12 VAL A 26 1.234 5.565 -2.475 1.00 60.41 H new ATOM 0 HG13 VAL A 26 1.349 3.897 -1.866 1.00 60.41 H new ATOM 0 HG21 VAL A 26 4.390 4.053 -1.223 1.00 1.31 H new ATOM 0 HG22 VAL A 26 3.635 2.676 -2.060 1.00 1.31 H new ATOM 0 HG23 VAL A 26 4.990 3.544 -2.820 1.00 1.31 H new ATOM 413 N ARG A 27 4.059 2.934 -5.941 1.00 34.13 N ATOM 414 CA ARG A 27 5.084 2.881 -6.990 1.00 62.13 C ATOM 415 C ARG A 27 4.725 3.846 -8.136 1.00 64.34 C ATOM 416 O ARG A 27 5.352 4.899 -8.293 1.00 4.00 O ATOM 417 CB ARG A 27 5.260 1.445 -7.516 1.00 41.21 C ATOM 418 CG ARG A 27 6.049 0.528 -6.581 1.00 2.43 C ATOM 419 CD ARG A 27 5.899 -0.942 -6.971 1.00 31.42 C ATOM 420 NE ARG A 27 4.513 -1.361 -6.855 1.00 31.40 N ATOM 421 CZ ARG A 27 3.958 -2.328 -7.525 1.00 70.11 C ATOM 422 NH1 ARG A 27 4.644 -3.079 -8.332 1.00 61.00 N ATOM 423 NH2 ARG A 27 2.695 -2.532 -7.381 1.00 73.13 N ATOM 0 H ARG A 27 3.515 2.078 -5.831 1.00 34.13 H new ATOM 0 HA ARG A 27 6.034 3.195 -6.559 1.00 62.13 H new ATOM 0 HB2 ARG A 27 4.276 1.010 -7.688 1.00 41.21 H new ATOM 0 HB3 ARG A 27 5.765 1.483 -8.481 1.00 41.21 H new ATOM 0 HG2 ARG A 27 7.103 0.805 -6.604 1.00 2.43 H new ATOM 0 HG3 ARG A 27 5.705 0.670 -5.557 1.00 2.43 H new ATOM 0 HD2 ARG A 27 6.245 -1.090 -7.994 1.00 31.42 H new ATOM 0 HD3 ARG A 27 6.527 -1.560 -6.329 1.00 31.42 H new ATOM 0 HE ARG A 27 3.926 -0.854 -6.193 1.00 31.40 H new ATOM 0 HH11 ARG A 27 5.644 -2.918 -8.453 1.00 61.00 H new ATOM 0 HH12 ARG A 27 4.183 -3.830 -8.845 1.00 61.00 H new ATOM 0 HH21 ARG A 27 2.151 -1.941 -6.752 1.00 73.13 H new ATOM 0 HH22 ARG A 27 2.238 -3.284 -7.896 1.00 73.13 H new ATOM 437 N ASP A 28 3.700 3.492 -8.913 1.00 72.21 N ATOM 438 CA ASP A 28 3.177 4.357 -9.982 1.00 71.02 C ATOM 439 C ASP A 28 1.975 3.695 -10.672 1.00 11.14 C ATOM 440 O ASP A 28 1.818 2.480 -10.622 1.00 61.34 O ATOM 441 CB ASP A 28 4.260 4.679 -11.025 1.00 40.11 C ATOM 442 CG ASP A 28 3.806 5.734 -12.023 1.00 63.14 C ATOM 443 OD1 ASP A 28 3.854 6.939 -11.687 1.00 20.21 O ATOM 444 OD2 ASP A 28 3.372 5.364 -13.132 1.00 73.32 O ATOM 0 H ASP A 28 3.208 2.603 -8.823 1.00 72.21 H new ATOM 0 HA ASP A 28 2.857 5.291 -9.520 1.00 71.02 H new ATOM 0 HB2 ASP A 28 5.159 5.027 -10.516 1.00 40.11 H new ATOM 0 HB3 ASP A 28 4.528 3.768 -11.560 1.00 40.11 H new ATOM 449 N ARG A 29 1.137 4.497 -11.328 1.00 61.05 N ATOM 450 CA ARG A 29 -0.034 3.978 -12.047 1.00 64.14 C ATOM 451 C ARG A 29 0.372 2.927 -13.098 1.00 71.23 C ATOM 452 O ARG A 29 -0.330 1.931 -13.303 1.00 41.10 O ATOM 453 CB ARG A 29 -0.792 5.139 -12.708 1.00 2.45 C ATOM 454 CG ARG A 29 -1.976 4.716 -13.577 1.00 31.42 C ATOM 455 CD ARG A 29 -3.016 3.914 -12.799 1.00 13.12 C ATOM 456 NE ARG A 29 -4.211 3.650 -13.602 1.00 21.25 N ATOM 457 CZ ARG A 29 -4.618 2.462 -13.962 1.00 32.51 C ATOM 458 NH1 ARG A 29 -3.944 1.405 -13.636 1.00 53.24 N ATOM 459 NH2 ARG A 29 -5.697 2.336 -14.661 1.00 72.24 N ATOM 0 H ARG A 29 1.244 5.510 -11.378 1.00 61.05 H new ATOM 0 HA ARG A 29 -0.689 3.485 -11.328 1.00 64.14 H new ATOM 0 HB2 ARG A 29 -1.152 5.810 -11.929 1.00 2.45 H new ATOM 0 HB3 ARG A 29 -0.094 5.709 -13.321 1.00 2.45 H new ATOM 0 HG2 ARG A 29 -2.448 5.603 -13.999 1.00 31.42 H new ATOM 0 HG3 ARG A 29 -1.613 4.119 -14.414 1.00 31.42 H new ATOM 0 HD2 ARG A 29 -2.579 2.969 -12.476 1.00 13.12 H new ATOM 0 HD3 ARG A 29 -3.297 4.460 -11.898 1.00 13.12 H new ATOM 0 HE ARG A 29 -4.766 4.451 -13.902 1.00 21.25 H new ATOM 0 HH11 ARG A 29 -3.086 1.495 -13.092 1.00 53.24 H new ATOM 0 HH12 ARG A 29 -4.272 0.483 -13.923 1.00 53.24 H new ATOM 0 HH21 ARG A 29 -6.229 3.163 -14.931 1.00 72.24 H new ATOM 0 HH22 ARG A 29 -6.017 1.409 -14.943 1.00 72.24 H new ATOM 473 N SER A 30 1.516 3.144 -13.740 1.00 23.44 N ATOM 474 CA SER A 30 2.054 2.200 -14.722 1.00 63.21 C ATOM 475 C SER A 30 2.490 0.910 -14.028 1.00 33.32 C ATOM 476 O SER A 30 2.135 -0.193 -14.444 1.00 65.25 O ATOM 477 CB SER A 30 3.258 2.814 -15.445 1.00 62.40 C ATOM 478 OG SER A 30 4.331 3.045 -14.544 1.00 43.10 O ATOM 0 H SER A 30 2.095 3.972 -13.598 1.00 23.44 H new ATOM 0 HA SER A 30 1.272 1.976 -15.448 1.00 63.21 H new ATOM 0 HB2 SER A 30 3.586 2.148 -16.243 1.00 62.40 H new ATOM 0 HB3 SER A 30 2.964 3.753 -15.914 1.00 62.40 H new ATOM 0 HG SER A 30 4.130 3.828 -13.990 1.00 43.10 H new ATOM 484 N THR A 31 3.260 1.069 -12.956 1.00 41.13 N ATOM 485 CA THR A 31 3.718 -0.061 -12.143 1.00 51.23 C ATOM 486 C THR A 31 2.534 -0.791 -11.480 1.00 61.21 C ATOM 487 O THR A 31 2.617 -1.981 -11.168 1.00 52.12 O ATOM 488 CB THR A 31 4.718 0.399 -11.054 1.00 20.15 C ATOM 489 OG1 THR A 31 5.694 1.293 -11.620 1.00 34.21 O ATOM 490 CG2 THR A 31 5.436 -0.792 -10.434 1.00 51.33 C ATOM 0 H THR A 31 3.584 1.978 -12.625 1.00 41.13 H new ATOM 0 HA THR A 31 4.224 -0.753 -12.816 1.00 51.23 H new ATOM 0 HB THR A 31 4.151 0.914 -10.279 1.00 20.15 H new ATOM 0 HG1 THR A 31 6.320 1.579 -10.922 1.00 34.21 H new ATOM 0 HG21 THR A 31 6.132 -0.441 -9.672 1.00 51.33 H new ATOM 0 HG22 THR A 31 4.706 -1.460 -9.978 1.00 51.33 H new ATOM 0 HG23 THR A 31 5.985 -1.329 -11.208 1.00 51.33 H new ATOM 498 N TYR A 32 1.430 -0.075 -11.272 1.00 23.53 N ATOM 499 CA TYR A 32 0.180 -0.689 -10.808 1.00 5.44 C ATOM 500 C TYR A 32 -0.326 -1.702 -11.844 1.00 1.11 C ATOM 501 O TYR A 32 -0.739 -2.813 -11.501 1.00 24.51 O ATOM 502 CB TYR A 32 -0.887 0.389 -10.544 1.00 31.13 C ATOM 503 CG TYR A 32 -2.241 -0.166 -10.128 1.00 4.23 C ATOM 504 CD1 TYR A 32 -2.535 -0.430 -8.793 1.00 12.14 C ATOM 505 CD2 TYR A 32 -3.227 -0.428 -11.076 1.00 40.12 C ATOM 506 CE1 TYR A 32 -3.768 -0.938 -8.419 1.00 4.45 C ATOM 507 CE2 TYR A 32 -4.457 -0.933 -10.709 1.00 53.55 C ATOM 508 CZ TYR A 32 -4.726 -1.186 -9.381 1.00 15.22 C ATOM 509 OH TYR A 32 -5.954 -1.690 -9.017 1.00 35.40 O ATOM 0 H TYR A 32 1.373 0.933 -11.417 1.00 23.53 H new ATOM 0 HA TYR A 32 0.375 -1.212 -9.872 1.00 5.44 H new ATOM 0 HB2 TYR A 32 -0.526 1.059 -9.764 1.00 31.13 H new ATOM 0 HB3 TYR A 32 -1.013 0.988 -11.446 1.00 31.13 H new ATOM 0 HD1 TYR A 32 -1.789 -0.235 -8.036 1.00 12.14 H new ATOM 0 HD2 TYR A 32 -3.025 -0.232 -12.119 1.00 40.12 H new ATOM 0 HE1 TYR A 32 -3.979 -1.139 -7.379 1.00 4.45 H new ATOM 0 HE2 TYR A 32 -5.207 -1.130 -11.460 1.00 53.55 H new ATOM 0 HH TYR A 32 -6.042 -1.665 -8.041 1.00 35.40 H new ATOM 519 N ASN A 33 -0.295 -1.306 -13.121 1.00 33.24 N ATOM 520 CA ASN A 33 -0.597 -2.231 -14.222 1.00 35.02 C ATOM 521 C ASN A 33 0.437 -3.370 -14.270 1.00 74.24 C ATOM 522 O ASN A 33 0.087 -4.529 -14.481 1.00 12.53 O ATOM 523 CB ASN A 33 -0.622 -1.490 -15.567 1.00 51.52 C ATOM 524 CG ASN A 33 -1.764 -0.491 -15.671 1.00 34.10 C ATOM 525 OD1 ASN A 33 -2.865 -0.827 -16.086 1.00 20.31 O ATOM 526 ND2 ASN A 33 -1.511 0.751 -15.314 1.00 4.23 N ATOM 0 H ASN A 33 -0.066 -0.358 -13.418 1.00 33.24 H new ATOM 0 HA ASN A 33 -1.584 -2.657 -14.041 1.00 35.02 H new ATOM 0 HB2 ASN A 33 0.325 -0.968 -15.706 1.00 51.52 H new ATOM 0 HB3 ASN A 33 -0.707 -2.217 -16.375 1.00 51.52 H new ATOM 0 HD21 ASN A 33 -2.242 1.460 -15.380 1.00 4.23 H new ATOM 0 HD22 ASN A 33 -0.584 1.004 -14.971 1.00 4.23 H new ATOM 533 N ASP A 34 1.709 -3.023 -14.064 1.00 71.22 N ATOM 534 CA ASP A 34 2.801 -4.003 -14.008 1.00 72.14 C ATOM 535 C ASP A 34 2.504 -5.132 -13.002 1.00 13.21 C ATOM 536 O ASP A 34 2.606 -6.315 -13.336 1.00 74.20 O ATOM 537 CB ASP A 34 4.090 -3.261 -13.624 1.00 32.25 C ATOM 538 CG ASP A 34 5.266 -4.176 -13.322 1.00 63.45 C ATOM 539 OD1 ASP A 34 5.409 -4.613 -12.162 1.00 64.24 O ATOM 540 OD2 ASP A 34 6.079 -4.424 -14.231 1.00 64.01 O ATOM 0 H ASP A 34 2.013 -2.058 -13.931 1.00 71.22 H new ATOM 0 HA ASP A 34 2.911 -4.475 -14.984 1.00 72.14 H new ATOM 0 HB2 ASP A 34 4.366 -2.589 -14.437 1.00 32.25 H new ATOM 0 HB3 ASP A 34 3.893 -2.640 -12.750 1.00 32.25 H new ATOM 545 N GLY A 35 2.093 -4.769 -11.792 1.00 44.22 N ATOM 546 CA GLY A 35 1.726 -5.776 -10.810 1.00 52.13 C ATOM 547 C GLY A 35 1.258 -5.191 -9.489 1.00 13.00 C ATOM 548 O GLY A 35 2.032 -4.568 -8.775 1.00 5.31 O ATOM 0 H GLY A 35 2.007 -3.804 -11.474 1.00 44.22 H new ATOM 0 HA2 GLY A 35 0.935 -6.402 -11.222 1.00 52.13 H new ATOM 0 HA3 GLY A 35 2.583 -6.424 -10.628 1.00 52.13 H new ATOM 552 N HIS A 36 -0.005 -5.421 -9.146 1.00 11.00 N ATOM 553 CA HIS A 36 -0.603 -4.855 -7.931 1.00 63.11 C ATOM 554 C HIS A 36 -1.215 -5.948 -7.047 1.00 22.33 C ATOM 555 O HIS A 36 -1.662 -6.977 -7.546 1.00 73.32 O ATOM 556 CB HIS A 36 -1.679 -3.828 -8.306 1.00 51.21 C ATOM 557 CG HIS A 36 -2.768 -4.374 -9.191 1.00 41.51 C ATOM 558 ND1 HIS A 36 -2.647 -4.472 -10.561 1.00 61.14 N ATOM 559 CD2 HIS A 36 -4.007 -4.845 -8.896 1.00 1.30 C ATOM 560 CE1 HIS A 36 -3.754 -4.976 -11.069 1.00 35.45 C ATOM 561 NE2 HIS A 36 -4.594 -5.210 -10.084 1.00 41.41 N ATOM 0 H HIS A 36 -0.642 -5.999 -9.694 1.00 11.00 H new ATOM 0 HA HIS A 36 0.189 -4.365 -7.365 1.00 63.11 H new ATOM 0 HB2 HIS A 36 -2.129 -3.439 -7.393 1.00 51.21 H new ATOM 0 HB3 HIS A 36 -1.203 -2.987 -8.810 1.00 51.21 H new ATOM 0 HD1 HIS A 36 -1.826 -4.196 -11.100 1.00 61.14 H new ATOM 0 HD2 HIS A 36 -4.448 -4.919 -7.913 1.00 1.30 H new ATOM 0 HE1 HIS A 36 -3.940 -5.165 -12.116 1.00 35.45 H new ATOM 570 N ILE A 37 -1.240 -5.721 -5.735 1.00 41.54 N ATOM 571 CA ILE A 37 -1.891 -6.655 -4.803 1.00 34.23 C ATOM 572 C ILE A 37 -3.369 -6.859 -5.181 1.00 2.21 C ATOM 573 O ILE A 37 -4.036 -5.922 -5.625 1.00 20.22 O ATOM 574 CB ILE A 37 -1.784 -6.149 -3.336 1.00 64.13 C ATOM 575 CG1 ILE A 37 -0.320 -6.195 -2.866 1.00 15.15 C ATOM 576 CG2 ILE A 37 -2.677 -6.966 -2.400 1.00 55.11 C ATOM 577 CD1 ILE A 37 -0.107 -5.671 -1.460 1.00 1.20 C ATOM 0 H ILE A 37 -0.821 -4.905 -5.290 1.00 41.54 H new ATOM 0 HA ILE A 37 -1.372 -7.611 -4.877 1.00 34.23 H new ATOM 0 HB ILE A 37 -2.132 -5.116 -3.306 1.00 64.13 H new ATOM 0 HG12 ILE A 37 0.035 -7.224 -2.917 1.00 15.15 H new ATOM 0 HG13 ILE A 37 0.291 -5.613 -3.556 1.00 15.15 H new ATOM 0 HG21 ILE A 37 -2.580 -6.588 -1.382 1.00 55.11 H new ATOM 0 HG22 ILE A 37 -3.715 -6.881 -2.721 1.00 55.11 H new ATOM 0 HG23 ILE A 37 -2.373 -8.012 -2.429 1.00 55.11 H new ATOM 0 HD11 ILE A 37 0.950 -5.737 -1.203 1.00 1.20 H new ATOM 0 HD12 ILE A 37 -0.429 -4.631 -1.407 1.00 1.20 H new ATOM 0 HD13 ILE A 37 -0.689 -6.268 -0.757 1.00 1.20 H new ATOM 589 N MET A 38 -3.869 -8.086 -5.026 1.00 43.25 N ATOM 590 CA MET A 38 -5.247 -8.409 -5.410 1.00 65.50 C ATOM 591 C MET A 38 -6.270 -7.552 -4.646 1.00 43.41 C ATOM 592 O MET A 38 -6.510 -7.757 -3.454 1.00 71.14 O ATOM 593 CB MET A 38 -5.527 -9.897 -5.183 1.00 3.42 C ATOM 594 CG MET A 38 -6.921 -10.335 -5.616 1.00 22.24 C ATOM 595 SD MET A 38 -7.159 -12.115 -5.468 1.00 54.21 S ATOM 596 CE MET A 38 -5.888 -12.709 -6.583 1.00 4.42 C ATOM 0 H MET A 38 -3.344 -8.870 -4.639 1.00 43.25 H new ATOM 0 HA MET A 38 -5.354 -8.182 -6.471 1.00 65.50 H new ATOM 0 HB2 MET A 38 -4.787 -10.483 -5.728 1.00 3.42 H new ATOM 0 HB3 MET A 38 -5.398 -10.124 -4.125 1.00 3.42 H new ATOM 0 HG2 MET A 38 -7.666 -9.820 -5.009 1.00 22.24 H new ATOM 0 HG3 MET A 38 -7.089 -10.034 -6.650 1.00 22.24 H new ATOM 0 HE1 MET A 38 -6.097 -13.743 -6.855 1.00 4.42 H new ATOM 0 HE2 MET A 38 -5.875 -12.093 -7.482 1.00 4.42 H new ATOM 0 HE3 MET A 38 -4.917 -12.653 -6.091 1.00 4.42 H new ATOM 606 N GLY A 39 -6.874 -6.596 -5.347 1.00 25.12 N ATOM 607 CA GLY A 39 -7.845 -5.697 -4.724 1.00 34.51 C ATOM 608 C GLY A 39 -7.231 -4.393 -4.207 1.00 54.14 C ATOM 609 O GLY A 39 -7.881 -3.642 -3.478 1.00 25.23 O ATOM 0 H GLY A 39 -6.711 -6.423 -6.339 1.00 25.12 H new ATOM 0 HA2 GLY A 39 -8.624 -5.460 -5.448 1.00 34.51 H new ATOM 0 HA3 GLY A 39 -8.327 -6.215 -3.895 1.00 34.51 H new ATOM 613 N ALA A 40 -5.983 -4.119 -4.578 1.00 51.21 N ATOM 614 CA ALA A 40 -5.304 -2.883 -4.162 1.00 64.35 C ATOM 615 C ALA A 40 -5.860 -1.647 -4.890 1.00 63.55 C ATOM 616 O ALA A 40 -6.667 -1.759 -5.815 1.00 41.22 O ATOM 617 CB ALA A 40 -3.802 -2.997 -4.393 1.00 51.22 C ATOM 0 H ALA A 40 -5.417 -4.732 -5.165 1.00 51.21 H new ATOM 0 HA ALA A 40 -5.495 -2.752 -3.097 1.00 64.35 H new ATOM 0 HB1 ALA A 40 -3.315 -2.074 -4.080 1.00 51.22 H new ATOM 0 HB2 ALA A 40 -3.407 -3.831 -3.813 1.00 51.22 H new ATOM 0 HB3 ALA A 40 -3.609 -3.168 -5.452 1.00 51.22 H new ATOM 623 N MET A 41 -5.426 -0.462 -4.460 1.00 53.53 N ATOM 624 CA MET A 41 -5.881 0.800 -5.052 1.00 43.02 C ATOM 625 C MET A 41 -4.793 1.463 -5.904 1.00 75.14 C ATOM 626 O MET A 41 -3.604 1.405 -5.579 1.00 21.54 O ATOM 627 CB MET A 41 -6.308 1.764 -3.946 1.00 54.32 C ATOM 628 CG MET A 41 -7.446 1.239 -3.092 1.00 74.11 C ATOM 629 SD MET A 41 -9.017 1.193 -3.978 1.00 5.51 S ATOM 630 CE MET A 41 -9.300 2.943 -4.263 1.00 15.14 C ATOM 0 H MET A 41 -4.756 -0.348 -3.699 1.00 53.53 H new ATOM 0 HA MET A 41 -6.724 0.569 -5.703 1.00 43.02 H new ATOM 0 HB2 MET A 41 -5.451 1.973 -3.306 1.00 54.32 H new ATOM 0 HB3 MET A 41 -6.608 2.710 -4.396 1.00 54.32 H new ATOM 0 HG2 MET A 41 -7.201 0.236 -2.744 1.00 74.11 H new ATOM 0 HG3 MET A 41 -7.551 1.867 -2.207 1.00 74.11 H new ATOM 0 HE1 MET A 41 -10.365 3.119 -4.416 1.00 15.14 H new ATOM 0 HE2 MET A 41 -8.958 3.512 -3.399 1.00 15.14 H new ATOM 0 HE3 MET A 41 -8.749 3.261 -5.148 1.00 15.14 H new ATOM 640 N ALA A 42 -5.218 2.113 -6.984 1.00 4.42 N ATOM 641 CA ALA A 42 -4.294 2.817 -7.875 1.00 14.12 C ATOM 642 C ALA A 42 -4.020 4.240 -7.369 1.00 4.31 C ATOM 643 O ALA A 42 -4.660 5.202 -7.794 1.00 31.43 O ATOM 644 CB ALA A 42 -4.838 2.849 -9.302 1.00 4.51 C ATOM 0 H ALA A 42 -6.197 2.168 -7.265 1.00 4.42 H new ATOM 0 HA ALA A 42 -3.350 2.272 -7.880 1.00 14.12 H new ATOM 0 HB1 ALA A 42 -4.136 3.377 -9.947 1.00 4.51 H new ATOM 0 HB2 ALA A 42 -4.968 1.829 -9.665 1.00 4.51 H new ATOM 0 HB3 ALA A 42 -5.799 3.364 -9.314 1.00 4.51 H new ATOM 650 N MET A 43 -3.086 4.358 -6.432 1.00 54.40 N ATOM 651 CA MET A 43 -2.719 5.655 -5.857 1.00 50.10 C ATOM 652 C MET A 43 -1.199 5.846 -5.852 1.00 15.02 C ATOM 653 O MET A 43 -0.519 5.546 -4.873 1.00 51.04 O ATOM 654 CB MET A 43 -3.315 5.800 -4.447 1.00 0.33 C ATOM 655 CG MET A 43 -4.728 6.376 -4.460 1.00 72.31 C ATOM 656 SD MET A 43 -5.784 5.740 -3.151 1.00 21.43 S ATOM 657 CE MET A 43 -7.328 6.536 -3.585 1.00 43.05 C ATOM 0 H MET A 43 -2.564 3.569 -6.050 1.00 54.40 H new ATOM 0 HA MET A 43 -3.138 6.444 -6.482 1.00 50.10 H new ATOM 0 HB2 MET A 43 -3.330 4.824 -3.961 1.00 0.33 H new ATOM 0 HB3 MET A 43 -2.670 6.444 -3.849 1.00 0.33 H new ATOM 0 HG2 MET A 43 -4.669 7.461 -4.371 1.00 72.31 H new ATOM 0 HG3 MET A 43 -5.189 6.160 -5.424 1.00 72.31 H new ATOM 0 HE1 MET A 43 -8.160 5.961 -3.180 1.00 43.05 H new ATOM 0 HE2 MET A 43 -7.347 7.544 -3.170 1.00 43.05 H new ATOM 0 HE3 MET A 43 -7.418 6.589 -4.670 1.00 43.05 H new ATOM 667 N PRO A 44 -0.658 6.373 -6.966 1.00 53.24 N ATOM 668 CA PRO A 44 0.789 6.492 -7.161 1.00 52.41 C ATOM 669 C PRO A 44 1.385 7.616 -6.307 1.00 20.52 C ATOM 670 O PRO A 44 0.792 8.683 -6.184 1.00 65.52 O ATOM 671 CB PRO A 44 0.911 6.798 -8.662 1.00 52.13 C ATOM 672 CG PRO A 44 -0.363 7.489 -9.021 1.00 34.52 C ATOM 673 CD PRO A 44 -1.425 6.942 -8.093 1.00 12.22 C ATOM 0 HA PRO A 44 1.335 5.598 -6.860 1.00 52.41 H new ATOM 0 HB2 PRO A 44 1.774 7.431 -8.867 1.00 52.13 H new ATOM 0 HB3 PRO A 44 1.041 5.884 -9.242 1.00 52.13 H new ATOM 0 HG2 PRO A 44 -0.265 8.568 -8.905 1.00 34.52 H new ATOM 0 HG3 PRO A 44 -0.625 7.303 -10.063 1.00 34.52 H new ATOM 0 HD2 PRO A 44 -2.104 7.726 -7.758 1.00 12.22 H new ATOM 0 HD3 PRO A 44 -2.033 6.183 -8.586 1.00 12.22 H new ATOM 681 N ILE A 45 2.566 7.376 -5.739 1.00 3.42 N ATOM 682 CA ILE A 45 3.204 8.315 -4.798 1.00 74.35 C ATOM 683 C ILE A 45 3.220 9.765 -5.333 1.00 44.34 C ATOM 684 O ILE A 45 3.225 10.729 -4.563 1.00 4.35 O ATOM 685 CB ILE A 45 4.649 7.848 -4.476 1.00 54.10 C ATOM 686 CG1 ILE A 45 5.196 8.547 -3.222 1.00 11.53 C ATOM 687 CG2 ILE A 45 5.578 8.073 -5.671 1.00 11.24 C ATOM 688 CD1 ILE A 45 6.502 7.959 -2.725 1.00 45.54 C ATOM 0 H ILE A 45 3.111 6.531 -5.913 1.00 3.42 H new ATOM 0 HA ILE A 45 2.607 8.314 -3.886 1.00 74.35 H new ATOM 0 HB ILE A 45 4.611 6.778 -4.272 1.00 54.10 H new ATOM 0 HG12 ILE A 45 5.342 9.605 -3.440 1.00 11.53 H new ATOM 0 HG13 ILE A 45 4.453 8.485 -2.427 1.00 11.53 H new ATOM 0 HG21 ILE A 45 6.584 7.737 -5.418 1.00 11.24 H new ATOM 0 HG22 ILE A 45 5.212 7.508 -6.528 1.00 11.24 H new ATOM 0 HG23 ILE A 45 5.601 9.134 -5.919 1.00 11.24 H new ATOM 0 HD11 ILE A 45 6.830 8.500 -1.838 1.00 45.54 H new ATOM 0 HD12 ILE A 45 6.356 6.908 -2.476 1.00 45.54 H new ATOM 0 HD13 ILE A 45 7.260 8.045 -3.504 1.00 45.54 H new ATOM 700 N GLU A 46 3.203 9.899 -6.659 1.00 40.42 N ATOM 701 CA GLU A 46 3.169 11.193 -7.324 1.00 72.20 C ATOM 702 C GLU A 46 1.777 11.859 -7.227 1.00 5.31 C ATOM 703 O GLU A 46 1.669 13.062 -6.966 1.00 23.51 O ATOM 704 CB GLU A 46 3.593 10.985 -8.783 1.00 42.25 C ATOM 705 CG GLU A 46 3.504 12.226 -9.641 1.00 33.23 C ATOM 706 CD GLU A 46 4.269 12.087 -10.952 1.00 40.31 C ATOM 707 OE1 GLU A 46 3.689 11.589 -11.939 1.00 31.20 O ATOM 708 OE2 GLU A 46 5.460 12.462 -10.992 1.00 1.35 O ATOM 0 H GLU A 46 3.213 9.107 -7.301 1.00 40.42 H new ATOM 0 HA GLU A 46 3.859 11.876 -6.828 1.00 72.20 H new ATOM 0 HB2 GLU A 46 4.619 10.618 -8.802 1.00 42.25 H new ATOM 0 HB3 GLU A 46 2.968 10.208 -9.223 1.00 42.25 H new ATOM 0 HG2 GLU A 46 2.457 12.440 -9.856 1.00 33.23 H new ATOM 0 HG3 GLU A 46 3.896 13.077 -9.084 1.00 33.23 H new ATOM 715 N ASP A 47 0.714 11.074 -7.412 1.00 60.43 N ATOM 716 CA ASP A 47 -0.668 11.586 -7.313 1.00 42.43 C ATOM 717 C ASP A 47 -1.280 11.304 -5.924 1.00 53.20 C ATOM 718 O ASP A 47 -2.392 11.743 -5.626 1.00 40.12 O ATOM 719 CB ASP A 47 -1.569 10.925 -8.369 1.00 22.04 C ATOM 720 CG ASP A 47 -1.116 11.115 -9.806 1.00 33.33 C ATOM 721 OD1 ASP A 47 -0.121 11.820 -10.047 1.00 21.31 O ATOM 722 OD2 ASP A 47 -1.773 10.543 -10.707 1.00 75.52 O ATOM 0 H ASP A 47 0.776 10.080 -7.632 1.00 60.43 H new ATOM 0 HA ASP A 47 -0.615 12.662 -7.477 1.00 42.43 H new ATOM 0 HB2 ASP A 47 -1.626 9.857 -8.160 1.00 22.04 H new ATOM 0 HB3 ASP A 47 -2.578 11.324 -8.266 1.00 22.04 H new ATOM 727 N LEU A 48 -0.532 10.581 -5.094 1.00 34.41 N ATOM 728 CA LEU A 48 -1.030 10.000 -3.834 1.00 53.54 C ATOM 729 C LEU A 48 -1.910 10.955 -3.004 1.00 64.40 C ATOM 730 O LEU A 48 -3.058 10.629 -2.696 1.00 70.25 O ATOM 731 CB LEU A 48 0.161 9.532 -2.987 1.00 71.34 C ATOM 732 CG LEU A 48 -0.197 8.826 -1.669 1.00 24.02 C ATOM 733 CD1 LEU A 48 -0.981 7.542 -1.937 1.00 54.13 C ATOM 734 CD2 LEU A 48 1.065 8.532 -0.859 1.00 23.21 C ATOM 0 H LEU A 48 0.451 10.375 -5.273 1.00 34.41 H new ATOM 0 HA LEU A 48 -1.671 9.163 -4.112 1.00 53.54 H new ATOM 0 HB2 LEU A 48 0.767 8.854 -3.588 1.00 71.34 H new ATOM 0 HB3 LEU A 48 0.783 10.397 -2.757 1.00 71.34 H new ATOM 0 HG LEU A 48 -0.831 9.493 -1.085 1.00 24.02 H new ATOM 0 HD11 LEU A 48 -1.223 7.059 -0.990 1.00 54.13 H new ATOM 0 HD12 LEU A 48 -1.902 7.782 -2.468 1.00 54.13 H new ATOM 0 HD13 LEU A 48 -0.378 6.867 -2.544 1.00 54.13 H new ATOM 0 HD21 LEU A 48 0.793 8.032 0.071 1.00 23.21 H new ATOM 0 HD22 LEU A 48 1.727 7.887 -1.437 1.00 23.21 H new ATOM 0 HD23 LEU A 48 1.577 9.467 -0.632 1.00 23.21 H new ATOM 746 N VAL A 49 -1.376 12.122 -2.643 1.00 74.43 N ATOM 747 CA VAL A 49 -2.077 13.051 -1.737 1.00 61.15 C ATOM 748 C VAL A 49 -3.494 13.402 -2.239 1.00 61.02 C ATOM 749 O VAL A 49 -4.480 13.243 -1.513 1.00 51.50 O ATOM 750 CB VAL A 49 -1.263 14.355 -1.541 1.00 23.52 C ATOM 751 CG1 VAL A 49 -1.980 15.321 -0.595 1.00 22.44 C ATOM 752 CG2 VAL A 49 0.143 14.037 -1.032 1.00 30.45 C ATOM 0 H VAL A 49 -0.464 12.452 -2.959 1.00 74.43 H new ATOM 0 HA VAL A 49 -2.174 12.535 -0.782 1.00 61.15 H new ATOM 0 HB VAL A 49 -1.176 14.847 -2.510 1.00 23.52 H new ATOM 0 HG11 VAL A 49 -1.384 16.226 -0.478 1.00 22.44 H new ATOM 0 HG12 VAL A 49 -2.954 15.580 -1.009 1.00 22.44 H new ATOM 0 HG13 VAL A 49 -2.113 14.846 0.377 1.00 22.44 H new ATOM 0 HG21 VAL A 49 0.701 14.964 -0.900 1.00 30.45 H new ATOM 0 HG22 VAL A 49 0.075 13.515 -0.077 1.00 30.45 H new ATOM 0 HG23 VAL A 49 0.657 13.404 -1.755 1.00 30.45 H new ATOM 762 N ASP A 50 -3.587 13.865 -3.484 1.00 34.31 N ATOM 763 CA ASP A 50 -4.879 14.210 -4.095 1.00 4.31 C ATOM 764 C ASP A 50 -5.800 12.982 -4.208 1.00 74.52 C ATOM 765 O ASP A 50 -6.963 13.025 -3.796 1.00 43.24 O ATOM 766 CB ASP A 50 -4.661 14.830 -5.483 1.00 34.52 C ATOM 767 CG ASP A 50 -5.967 15.152 -6.194 1.00 21.23 C ATOM 768 OD1 ASP A 50 -6.649 16.117 -5.791 1.00 53.12 O ATOM 769 OD2 ASP A 50 -6.324 14.436 -7.157 1.00 62.41 O ATOM 0 H ASP A 50 -2.783 14.012 -4.095 1.00 34.31 H new ATOM 0 HA ASP A 50 -5.367 14.937 -3.446 1.00 4.31 H new ATOM 0 HB2 ASP A 50 -4.073 15.742 -5.381 1.00 34.52 H new ATOM 0 HB3 ASP A 50 -4.078 14.142 -6.096 1.00 34.52 H new ATOM 774 N ARG A 51 -5.265 11.895 -4.767 1.00 41.10 N ATOM 775 CA ARG A 51 -6.023 10.646 -4.947 1.00 74.42 C ATOM 776 C ARG A 51 -6.686 10.197 -3.633 1.00 52.54 C ATOM 777 O ARG A 51 -7.903 9.993 -3.561 1.00 41.31 O ATOM 778 CB ARG A 51 -5.087 9.528 -5.428 1.00 33.41 C ATOM 779 CG ARG A 51 -4.396 9.785 -6.761 1.00 53.13 C ATOM 780 CD ARG A 51 -5.295 9.489 -7.954 1.00 61.25 C ATOM 781 NE ARG A 51 -4.608 9.761 -9.217 1.00 4.11 N ATOM 782 CZ ARG A 51 -5.176 9.759 -10.393 1.00 14.33 C ATOM 783 NH1 ARG A 51 -6.447 9.547 -10.521 1.00 13.14 N ATOM 784 NH2 ARG A 51 -4.462 9.993 -11.442 1.00 71.53 N ATOM 0 H ARG A 51 -4.304 11.850 -5.106 1.00 41.10 H new ATOM 0 HA ARG A 51 -6.799 10.838 -5.688 1.00 74.42 H new ATOM 0 HB2 ARG A 51 -4.323 9.364 -4.668 1.00 33.41 H new ATOM 0 HB3 ARG A 51 -5.661 8.605 -5.507 1.00 33.41 H new ATOM 0 HG2 ARG A 51 -4.073 10.825 -6.804 1.00 53.13 H new ATOM 0 HG3 ARG A 51 -3.499 9.169 -6.825 1.00 53.13 H new ATOM 0 HD2 ARG A 51 -5.609 8.446 -7.926 1.00 61.25 H new ATOM 0 HD3 ARG A 51 -6.198 10.096 -7.891 1.00 61.25 H new ATOM 0 HE ARG A 51 -3.610 9.968 -9.176 1.00 4.11 H new ATOM 0 HH11 ARG A 51 -7.022 9.378 -9.695 1.00 13.14 H new ATOM 0 HH12 ARG A 51 -6.874 9.549 -11.447 1.00 13.14 H new ATOM 0 HH21 ARG A 51 -3.463 10.177 -11.348 1.00 71.53 H new ATOM 0 HH22 ARG A 51 -4.896 9.994 -12.365 1.00 71.53 H new ATOM 798 N ALA A 52 -5.867 10.053 -2.598 1.00 1.41 N ATOM 799 CA ALA A 52 -6.328 9.571 -1.299 1.00 31.35 C ATOM 800 C ALA A 52 -7.317 10.545 -0.648 1.00 14.31 C ATOM 801 O ALA A 52 -8.392 10.145 -0.210 1.00 20.10 O ATOM 802 CB ALA A 52 -5.136 9.322 -0.386 1.00 21.42 C ATOM 0 H ALA A 52 -4.870 10.265 -2.633 1.00 1.41 H new ATOM 0 HA ALA A 52 -6.859 8.632 -1.457 1.00 31.35 H new ATOM 0 HB1 ALA A 52 -5.487 8.963 0.581 1.00 21.42 H new ATOM 0 HB2 ALA A 52 -4.483 8.574 -0.836 1.00 21.42 H new ATOM 0 HB3 ALA A 52 -4.583 10.251 -0.249 1.00 21.42 H new ATOM 808 N SER A 53 -6.961 11.828 -0.600 1.00 62.05 N ATOM 809 CA SER A 53 -7.845 12.853 -0.010 1.00 34.15 C ATOM 810 C SER A 53 -9.229 12.853 -0.675 1.00 12.22 C ATOM 811 O SER A 53 -10.237 13.201 -0.051 1.00 64.40 O ATOM 812 CB SER A 53 -7.215 14.251 -0.134 1.00 71.32 C ATOM 813 OG SER A 53 -8.064 15.262 0.404 1.00 62.23 O ATOM 0 H SER A 53 -6.076 12.188 -0.957 1.00 62.05 H new ATOM 0 HA SER A 53 -7.968 12.605 1.044 1.00 34.15 H new ATOM 0 HB2 SER A 53 -6.257 14.266 0.386 1.00 71.32 H new ATOM 0 HB3 SER A 53 -7.012 14.467 -1.183 1.00 71.32 H new ATOM 0 HG SER A 53 -7.632 16.136 0.310 1.00 62.23 H new ATOM 819 N SER A 54 -9.273 12.441 -1.938 1.00 13.42 N ATOM 820 CA SER A 54 -10.524 12.404 -2.703 1.00 41.42 C ATOM 821 C SER A 54 -11.398 11.191 -2.339 1.00 64.14 C ATOM 822 O SER A 54 -12.559 11.352 -1.961 1.00 41.01 O ATOM 823 CB SER A 54 -10.230 12.388 -4.209 1.00 32.33 C ATOM 824 OG SER A 54 -11.431 12.418 -4.965 1.00 54.31 O ATOM 0 H SER A 54 -8.455 12.126 -2.459 1.00 13.42 H new ATOM 0 HA SER A 54 -11.079 13.305 -2.443 1.00 41.42 H new ATOM 0 HB2 SER A 54 -9.611 13.246 -4.471 1.00 32.33 H new ATOM 0 HB3 SER A 54 -9.660 11.494 -4.462 1.00 32.33 H new ATOM 0 HG SER A 54 -11.216 12.409 -5.921 1.00 54.31 H new ATOM 830 N SER A 55 -10.843 9.980 -2.437 1.00 34.10 N ATOM 831 CA SER A 55 -11.658 8.746 -2.316 1.00 1.33 C ATOM 832 C SER A 55 -11.440 7.978 -0.997 1.00 24.21 C ATOM 833 O SER A 55 -12.100 6.965 -0.757 1.00 12.54 O ATOM 834 CB SER A 55 -11.368 7.802 -3.492 1.00 3.11 C ATOM 835 OG SER A 55 -11.687 8.406 -4.735 1.00 11.24 O ATOM 0 H SER A 55 -9.849 9.818 -2.597 1.00 34.10 H new ATOM 0 HA SER A 55 -12.696 9.078 -2.326 1.00 1.33 H new ATOM 0 HB2 SER A 55 -10.315 7.521 -3.483 1.00 3.11 H new ATOM 0 HB3 SER A 55 -11.944 6.884 -3.374 1.00 3.11 H new ATOM 0 HG SER A 55 -11.489 7.780 -5.463 1.00 11.24 H new ATOM 841 N LEU A 56 -10.534 8.446 -0.143 1.00 13.33 N ATOM 842 CA LEU A 56 -10.210 7.730 1.107 1.00 30.11 C ATOM 843 C LEU A 56 -10.544 8.545 2.361 1.00 41.05 C ATOM 844 O LEU A 56 -10.605 9.774 2.328 1.00 51.12 O ATOM 845 CB LEU A 56 -8.723 7.350 1.135 1.00 25.43 C ATOM 846 CG LEU A 56 -8.293 6.295 0.105 1.00 65.53 C ATOM 847 CD1 LEU A 56 -6.790 6.058 0.178 1.00 41.41 C ATOM 848 CD2 LEU A 56 -9.052 4.991 0.329 1.00 23.33 C ATOM 0 H LEU A 56 -10.010 9.310 -0.283 1.00 13.33 H new ATOM 0 HA LEU A 56 -10.829 6.833 1.119 1.00 30.11 H new ATOM 0 HB2 LEU A 56 -8.132 8.252 0.975 1.00 25.43 H new ATOM 0 HB3 LEU A 56 -8.478 6.981 2.131 1.00 25.43 H new ATOM 0 HG LEU A 56 -8.534 6.667 -0.891 1.00 65.53 H new ATOM 0 HD11 LEU A 56 -6.504 5.308 -0.559 1.00 41.41 H new ATOM 0 HD12 LEU A 56 -6.264 6.990 -0.030 1.00 41.41 H new ATOM 0 HD13 LEU A 56 -6.525 5.707 1.175 1.00 41.41 H new ATOM 0 HD21 LEU A 56 -8.735 4.254 -0.409 1.00 23.33 H new ATOM 0 HD22 LEU A 56 -8.842 4.615 1.330 1.00 23.33 H new ATOM 0 HD23 LEU A 56 -10.122 5.171 0.226 1.00 23.33 H new ATOM 860 N GLU A 57 -10.759 7.839 3.468 1.00 21.25 N ATOM 861 CA GLU A 57 -10.978 8.468 4.767 1.00 5.12 C ATOM 862 C GLU A 57 -9.677 8.503 5.573 1.00 1.03 C ATOM 863 O GLU A 57 -8.920 7.534 5.594 1.00 70.42 O ATOM 864 CB GLU A 57 -12.056 7.702 5.543 1.00 24.31 C ATOM 865 CG GLU A 57 -12.407 8.311 6.895 1.00 51.52 C ATOM 866 CD GLU A 57 -13.626 7.669 7.544 1.00 43.01 C ATOM 867 OE1 GLU A 57 -14.300 6.848 6.887 1.00 70.32 O ATOM 868 OE2 GLU A 57 -13.920 7.992 8.712 1.00 0.50 O ATOM 0 H GLU A 57 -10.786 6.820 3.490 1.00 21.25 H new ATOM 0 HA GLU A 57 -11.313 9.493 4.606 1.00 5.12 H new ATOM 0 HB2 GLU A 57 -12.959 7.652 4.935 1.00 24.31 H new ATOM 0 HB3 GLU A 57 -11.718 6.677 5.696 1.00 24.31 H new ATOM 0 HG2 GLU A 57 -11.552 8.211 7.564 1.00 51.52 H new ATOM 0 HG3 GLU A 57 -12.590 9.378 6.769 1.00 51.52 H new ATOM 875 N LYS A 58 -9.428 9.616 6.251 1.00 14.42 N ATOM 876 CA LYS A 58 -8.186 9.795 7.005 1.00 71.14 C ATOM 877 C LYS A 58 -8.098 8.843 8.219 1.00 2.52 C ATOM 878 O LYS A 58 -7.003 8.537 8.704 1.00 31.15 O ATOM 879 CB LYS A 58 -8.053 11.266 7.430 1.00 13.04 C ATOM 880 CG LYS A 58 -8.000 12.215 6.231 1.00 4.42 C ATOM 881 CD LYS A 58 -7.771 13.669 6.639 1.00 11.51 C ATOM 882 CE LYS A 58 -7.685 14.586 5.422 1.00 13.11 C ATOM 883 NZ LYS A 58 -7.347 15.987 5.792 1.00 74.20 N ATOM 0 H LYS A 58 -10.067 10.410 6.297 1.00 14.42 H new ATOM 0 HA LYS A 58 -7.350 9.535 6.356 1.00 71.14 H new ATOM 0 HB2 LYS A 58 -8.896 11.535 8.067 1.00 13.04 H new ATOM 0 HB3 LYS A 58 -7.150 11.389 8.028 1.00 13.04 H new ATOM 0 HG2 LYS A 58 -7.201 11.901 5.559 1.00 4.42 H new ATOM 0 HG3 LYS A 58 -8.933 12.141 5.673 1.00 4.42 H new ATOM 0 HD2 LYS A 58 -8.583 13.998 7.287 1.00 11.51 H new ATOM 0 HD3 LYS A 58 -6.851 13.745 7.218 1.00 11.51 H new ATOM 0 HE2 LYS A 58 -6.932 14.203 4.734 1.00 13.11 H new ATOM 0 HE3 LYS A 58 -8.637 14.572 4.892 1.00 13.11 H new ATOM 0 HZ1 LYS A 58 -7.881 16.644 5.188 1.00 74.20 H new ATOM 0 HZ2 LYS A 58 -7.596 16.153 6.788 1.00 74.20 H new ATOM 0 HZ3 LYS A 58 -6.328 16.145 5.659 1.00 74.20 H new ATOM 897 N SER A 59 -9.242 8.343 8.689 1.00 32.32 N ATOM 898 CA SER A 59 -9.255 7.403 9.828 1.00 73.02 C ATOM 899 C SER A 59 -9.158 5.950 9.352 1.00 20.02 C ATOM 900 O SER A 59 -8.928 5.038 10.149 1.00 55.43 O ATOM 901 CB SER A 59 -10.522 7.572 10.676 1.00 61.03 C ATOM 902 OG SER A 59 -11.672 7.115 9.984 1.00 30.24 O ATOM 0 H SER A 59 -10.163 8.565 8.310 1.00 32.32 H new ATOM 0 HA SER A 59 -8.383 7.636 10.440 1.00 73.02 H new ATOM 0 HB2 SER A 59 -10.413 7.019 11.609 1.00 61.03 H new ATOM 0 HB3 SER A 59 -10.648 8.622 10.940 1.00 61.03 H new ATOM 0 HG SER A 59 -12.229 7.881 9.733 1.00 30.24 H new ATOM 908 N ARG A 60 -9.331 5.744 8.048 1.00 73.30 N ATOM 909 CA ARG A 60 -9.261 4.411 7.446 1.00 20.42 C ATOM 910 C ARG A 60 -7.875 3.777 7.648 1.00 2.45 C ATOM 911 O ARG A 60 -6.851 4.425 7.437 1.00 55.03 O ATOM 912 CB ARG A 60 -9.591 4.502 5.942 1.00 44.12 C ATOM 913 CG ARG A 60 -9.368 3.206 5.162 1.00 72.13 C ATOM 914 CD ARG A 60 -10.250 2.069 5.668 1.00 54.23 C ATOM 915 NE ARG A 60 -11.673 2.332 5.457 1.00 51.23 N ATOM 916 CZ ARG A 60 -12.639 1.647 6.013 1.00 63.12 C ATOM 917 NH1 ARG A 60 -12.381 0.721 6.880 1.00 45.53 N ATOM 918 NH2 ARG A 60 -13.868 1.913 5.723 1.00 65.11 N ATOM 0 H ARG A 60 -9.523 6.491 7.381 1.00 73.30 H new ATOM 0 HA ARG A 60 -9.993 3.773 7.941 1.00 20.42 H new ATOM 0 HB2 ARG A 60 -10.632 4.804 5.830 1.00 44.12 H new ATOM 0 HB3 ARG A 60 -8.981 5.288 5.497 1.00 44.12 H new ATOM 0 HG2 ARG A 60 -9.573 3.380 4.106 1.00 72.13 H new ATOM 0 HG3 ARG A 60 -8.321 2.913 5.239 1.00 72.13 H new ATOM 0 HD2 ARG A 60 -9.975 1.145 5.159 1.00 54.23 H new ATOM 0 HD3 ARG A 60 -10.065 1.915 6.731 1.00 54.23 H new ATOM 0 HE ARG A 60 -11.929 3.100 4.836 1.00 51.23 H new ATOM 0 HH11 ARG A 60 -11.415 0.518 7.137 1.00 45.53 H new ATOM 0 HH12 ARG A 60 -13.144 0.194 7.306 1.00 45.53 H new ATOM 0 HH21 ARG A 60 -14.086 2.657 5.060 1.00 65.11 H new ATOM 0 HH22 ARG A 60 -14.621 1.379 6.156 1.00 65.11 H new ATOM 932 N ASP A 61 -7.852 2.515 8.072 1.00 34.04 N ATOM 933 CA ASP A 61 -6.599 1.774 8.210 1.00 43.24 C ATOM 934 C ASP A 61 -5.966 1.529 6.830 1.00 34.32 C ATOM 935 O ASP A 61 -6.327 0.591 6.118 1.00 43.34 O ATOM 936 CB ASP A 61 -6.839 0.448 8.941 1.00 2.24 C ATOM 937 CG ASP A 61 -7.430 0.662 10.322 1.00 74.43 C ATOM 938 OD1 ASP A 61 -6.677 1.044 11.243 1.00 60.03 O ATOM 939 OD2 ASP A 61 -8.643 0.449 10.497 1.00 61.52 O ATOM 0 H ASP A 61 -8.685 1.984 8.326 1.00 34.04 H new ATOM 0 HA ASP A 61 -5.906 2.370 8.803 1.00 43.24 H new ATOM 0 HB2 ASP A 61 -7.511 -0.175 8.351 1.00 2.24 H new ATOM 0 HB3 ASP A 61 -5.897 -0.094 9.029 1.00 2.24 H new ATOM 944 N ILE A 62 -5.036 2.394 6.449 1.00 74.54 N ATOM 945 CA ILE A 62 -4.424 2.339 5.123 1.00 74.14 C ATOM 946 C ILE A 62 -3.033 1.681 5.145 1.00 25.13 C ATOM 947 O ILE A 62 -2.133 2.114 5.865 1.00 64.52 O ATOM 948 CB ILE A 62 -4.320 3.761 4.514 1.00 42.21 C ATOM 949 CG1 ILE A 62 -5.729 4.356 4.328 1.00 43.34 C ATOM 950 CG2 ILE A 62 -3.558 3.734 3.190 1.00 24.23 C ATOM 951 CD1 ILE A 62 -5.742 5.790 3.840 1.00 51.11 C ATOM 0 H ILE A 62 -4.686 3.147 7.041 1.00 74.54 H new ATOM 0 HA ILE A 62 -5.072 1.720 4.502 1.00 74.14 H new ATOM 0 HB ILE A 62 -3.761 4.396 5.202 1.00 42.21 H new ATOM 0 HG12 ILE A 62 -6.280 3.738 3.619 1.00 43.34 H new ATOM 0 HG13 ILE A 62 -6.261 4.303 5.278 1.00 43.34 H new ATOM 0 HG21 ILE A 62 -3.499 4.744 2.783 1.00 24.23 H new ATOM 0 HG22 ILE A 62 -2.551 3.351 3.357 1.00 24.23 H new ATOM 0 HG23 ILE A 62 -4.079 3.088 2.483 1.00 24.23 H new ATOM 0 HD11 ILE A 62 -6.773 6.130 3.736 1.00 51.11 H new ATOM 0 HD12 ILE A 62 -5.222 6.423 4.558 1.00 51.11 H new ATOM 0 HD13 ILE A 62 -5.241 5.850 2.874 1.00 51.11 H new ATOM 963 N TYR A 63 -2.883 0.621 4.355 1.00 21.35 N ATOM 964 CA TYR A 63 -1.589 -0.036 4.152 1.00 64.40 C ATOM 965 C TYR A 63 -0.925 0.456 2.857 1.00 20.12 C ATOM 966 O TYR A 63 -1.460 0.279 1.764 1.00 2.42 O ATOM 967 CB TYR A 63 -1.760 -1.560 4.100 1.00 14.14 C ATOM 968 CG TYR A 63 -1.939 -2.206 5.461 1.00 44.53 C ATOM 969 CD1 TYR A 63 -3.196 -2.323 6.046 1.00 53.22 C ATOM 970 CD2 TYR A 63 -0.844 -2.709 6.158 1.00 5.30 C ATOM 971 CE1 TYR A 63 -3.354 -2.919 7.285 1.00 73.52 C ATOM 972 CE2 TYR A 63 -0.996 -3.307 7.393 1.00 74.41 C ATOM 973 CZ TYR A 63 -2.250 -3.411 7.951 1.00 60.12 C ATOM 974 OH TYR A 63 -2.397 -4.006 9.186 1.00 14.45 O ATOM 0 H TYR A 63 -3.651 0.192 3.838 1.00 21.35 H new ATOM 0 HA TYR A 63 -0.947 0.220 4.995 1.00 64.40 H new ATOM 0 HB2 TYR A 63 -2.624 -1.798 3.480 1.00 14.14 H new ATOM 0 HB3 TYR A 63 -0.888 -1.997 3.613 1.00 14.14 H new ATOM 0 HD1 TYR A 63 -4.062 -1.943 5.525 1.00 53.22 H new ATOM 0 HD2 TYR A 63 0.142 -2.630 5.725 1.00 5.30 H new ATOM 0 HE1 TYR A 63 -4.336 -2.999 7.728 1.00 73.52 H new ATOM 0 HE2 TYR A 63 -0.135 -3.692 7.919 1.00 74.41 H new ATOM 0 HH TYR A 63 -1.521 -4.298 9.515 1.00 14.45 H new ATOM 984 N VAL A 64 0.244 1.060 2.996 1.00 64.44 N ATOM 985 CA VAL A 64 0.983 1.612 1.860 1.00 53.11 C ATOM 986 C VAL A 64 2.175 0.718 1.491 1.00 41.34 C ATOM 987 O VAL A 64 3.017 0.413 2.339 1.00 34.50 O ATOM 988 CB VAL A 64 1.500 3.034 2.201 1.00 23.44 C ATOM 989 CG1 VAL A 64 2.399 3.578 1.097 1.00 3.24 C ATOM 990 CG2 VAL A 64 0.330 3.983 2.468 1.00 13.40 C ATOM 0 H VAL A 64 0.711 1.184 3.894 1.00 64.44 H new ATOM 0 HA VAL A 64 0.303 1.660 1.010 1.00 53.11 H new ATOM 0 HB VAL A 64 2.099 2.963 3.109 1.00 23.44 H new ATOM 0 HG11 VAL A 64 2.744 4.576 1.367 1.00 3.24 H new ATOM 0 HG12 VAL A 64 3.258 2.919 0.969 1.00 3.24 H new ATOM 0 HG13 VAL A 64 1.839 3.628 0.163 1.00 3.24 H new ATOM 0 HG21 VAL A 64 0.713 4.975 2.705 1.00 13.40 H new ATOM 0 HG22 VAL A 64 -0.302 4.040 1.581 1.00 13.40 H new ATOM 0 HG23 VAL A 64 -0.257 3.610 3.308 1.00 13.40 H new ATOM 1000 N TYR A 65 2.257 0.295 0.230 1.00 31.35 N ATOM 1001 CA TYR A 65 3.385 -0.529 -0.206 1.00 64.41 C ATOM 1002 C TYR A 65 4.058 0.048 -1.462 1.00 31.31 C ATOM 1003 O TYR A 65 3.398 0.413 -2.436 1.00 11.12 O ATOM 1004 CB TYR A 65 2.951 -1.994 -0.421 1.00 41.31 C ATOM 1005 CG TYR A 65 2.303 -2.307 -1.763 1.00 21.20 C ATOM 1006 CD1 TYR A 65 0.967 -2.018 -2.017 1.00 35.43 C ATOM 1007 CD2 TYR A 65 3.038 -2.921 -2.768 1.00 12.05 C ATOM 1008 CE1 TYR A 65 0.389 -2.330 -3.238 1.00 50.25 C ATOM 1009 CE2 TYR A 65 2.472 -3.238 -3.983 1.00 71.33 C ATOM 1010 CZ TYR A 65 1.148 -2.941 -4.216 1.00 44.30 C ATOM 1011 OH TYR A 65 0.581 -3.276 -5.429 1.00 11.22 O ATOM 0 H TYR A 65 1.571 0.504 -0.495 1.00 31.35 H new ATOM 0 HA TYR A 65 4.129 -0.516 0.591 1.00 64.41 H new ATOM 0 HB2 TYR A 65 3.827 -2.633 -0.305 1.00 41.31 H new ATOM 0 HB3 TYR A 65 2.252 -2.265 0.370 1.00 41.31 H new ATOM 0 HD1 TYR A 65 0.371 -1.543 -1.252 1.00 35.43 H new ATOM 0 HD2 TYR A 65 4.078 -3.156 -2.593 1.00 12.05 H new ATOM 0 HE1 TYR A 65 -0.649 -2.096 -3.423 1.00 50.25 H new ATOM 0 HE2 TYR A 65 3.064 -3.717 -4.749 1.00 71.33 H new ATOM 0 HH TYR A 65 0.387 -2.460 -5.936 1.00 11.22 H new ATOM 1021 N GLY A 66 5.381 0.156 -1.404 1.00 71.12 N ATOM 1022 CA GLY A 66 6.166 0.647 -2.532 1.00 1.20 C ATOM 1023 C GLY A 66 7.106 -0.420 -3.079 1.00 42.42 C ATOM 1024 O GLY A 66 6.909 -1.612 -2.840 1.00 22.13 O ATOM 0 H GLY A 66 5.935 -0.091 -0.584 1.00 71.12 H new ATOM 0 HA2 GLY A 66 5.495 0.980 -3.324 1.00 1.20 H new ATOM 0 HA3 GLY A 66 6.746 1.516 -2.220 1.00 1.20 H new ATOM 1028 N ALA A 67 8.122 0.007 -3.815 1.00 22.13 N ATOM 1029 CA ALA A 67 9.170 -0.901 -4.288 1.00 5.11 C ATOM 1030 C ALA A 67 10.287 -1.051 -3.240 1.00 62.35 C ATOM 1031 O ALA A 67 10.945 -2.090 -3.151 1.00 74.31 O ATOM 1032 CB ALA A 67 9.741 -0.399 -5.608 1.00 13.33 C ATOM 0 H ALA A 67 8.248 0.978 -4.101 1.00 22.13 H new ATOM 0 HA ALA A 67 8.726 -1.884 -4.446 1.00 5.11 H new ATOM 0 HB1 ALA A 67 10.519 -1.081 -5.951 1.00 13.33 H new ATOM 0 HB2 ALA A 67 8.947 -0.351 -6.353 1.00 13.33 H new ATOM 0 HB3 ALA A 67 10.166 0.595 -5.466 1.00 13.33 H new ATOM 1038 N GLY A 68 10.488 0.000 -2.443 1.00 4.11 N ATOM 1039 CA GLY A 68 11.507 -0.019 -1.397 1.00 43.11 C ATOM 1040 C GLY A 68 11.052 0.660 -0.107 1.00 63.41 C ATOM 1041 O GLY A 68 10.005 1.313 -0.072 1.00 24.14 O ATOM 0 H GLY A 68 9.960 0.871 -2.503 1.00 4.11 H new ATOM 0 HA2 GLY A 68 11.778 -1.052 -1.181 1.00 43.11 H new ATOM 0 HA3 GLY A 68 12.406 0.476 -1.764 1.00 43.11 H new ATOM 1045 N ASP A 69 11.853 0.522 0.951 1.00 2.22 N ATOM 1046 CA ASP A 69 11.501 1.052 2.278 1.00 13.50 C ATOM 1047 C ASP A 69 11.484 2.591 2.317 1.00 73.43 C ATOM 1048 O ASP A 69 10.786 3.189 3.137 1.00 24.34 O ATOM 1049 CB ASP A 69 12.473 0.515 3.334 1.00 0.35 C ATOM 1050 CG ASP A 69 12.479 -1.003 3.377 1.00 34.20 C ATOM 1051 OD1 ASP A 69 11.554 -1.592 3.968 1.00 64.23 O ATOM 1052 OD2 ASP A 69 13.399 -1.617 2.799 1.00 74.25 O ATOM 0 H ASP A 69 12.755 0.046 0.918 1.00 2.22 H new ATOM 0 HA ASP A 69 10.489 0.713 2.498 1.00 13.50 H new ATOM 0 HB2 ASP A 69 13.479 0.876 3.119 1.00 0.35 H new ATOM 0 HB3 ASP A 69 12.197 0.905 4.314 1.00 0.35 H new ATOM 1057 N GLU A 70 12.262 3.236 1.450 1.00 61.21 N ATOM 1058 CA GLU A 70 12.282 4.704 1.396 1.00 4.03 C ATOM 1059 C GLU A 70 11.005 5.247 0.731 1.00 13.02 C ATOM 1060 O GLU A 70 10.476 6.287 1.129 1.00 41.25 O ATOM 1061 CB GLU A 70 13.533 5.222 0.662 1.00 5.34 C ATOM 1062 CG GLU A 70 13.539 4.982 -0.846 1.00 32.22 C ATOM 1063 CD GLU A 70 13.564 3.511 -1.223 1.00 11.13 C ATOM 1064 OE1 GLU A 70 14.608 2.857 -1.020 1.00 33.12 O ATOM 1065 OE2 GLU A 70 12.535 2.998 -1.706 1.00 31.04 O ATOM 0 H GLU A 70 12.881 2.777 0.782 1.00 61.21 H new ATOM 0 HA GLU A 70 12.319 5.069 2.422 1.00 4.03 H new ATOM 0 HB2 GLU A 70 13.627 6.292 0.845 1.00 5.34 H new ATOM 0 HB3 GLU A 70 14.413 4.746 1.094 1.00 5.34 H new ATOM 0 HG2 GLU A 70 12.655 5.447 -1.284 1.00 32.22 H new ATOM 0 HG3 GLU A 70 14.408 5.476 -1.281 1.00 32.22 H new ATOM 1072 N GLN A 71 10.509 4.528 -0.275 1.00 30.24 N ATOM 1073 CA GLN A 71 9.282 4.913 -0.974 1.00 14.42 C ATOM 1074 C GLN A 71 8.056 4.777 -0.056 1.00 54.41 C ATOM 1075 O GLN A 71 7.155 5.618 -0.081 1.00 31.30 O ATOM 1076 CB GLN A 71 9.106 4.061 -2.242 1.00 2.32 C ATOM 1077 CG GLN A 71 7.935 4.490 -3.124 1.00 1.52 C ATOM 1078 CD GLN A 71 7.940 3.797 -4.476 1.00 2.31 C ATOM 1079 OE1 GLN A 71 8.379 2.661 -4.604 1.00 21.25 O ATOM 1080 NE2 GLN A 71 7.448 4.470 -5.494 1.00 20.41 N ATOM 0 H GLN A 71 10.939 3.672 -0.626 1.00 30.24 H new ATOM 0 HA GLN A 71 9.367 5.960 -1.263 1.00 14.42 H new ATOM 0 HB2 GLN A 71 10.024 4.107 -2.828 1.00 2.32 H new ATOM 0 HB3 GLN A 71 8.965 3.020 -1.951 1.00 2.32 H new ATOM 0 HG2 GLN A 71 6.999 4.271 -2.611 1.00 1.52 H new ATOM 0 HG3 GLN A 71 7.973 5.569 -3.272 1.00 1.52 H new ATOM 0 HE21 GLN A 71 7.090 5.415 -5.355 1.00 20.41 H new ATOM 0 HE22 GLN A 71 7.425 4.047 -6.422 1.00 20.41 H new ATOM 1089 N THR A 72 8.031 3.720 0.763 1.00 12.11 N ATOM 1090 CA THR A 72 6.936 3.518 1.723 1.00 2.34 C ATOM 1091 C THR A 72 6.889 4.631 2.774 1.00 22.34 C ATOM 1092 O THR A 72 5.872 5.304 2.923 1.00 64.10 O ATOM 1093 CB THR A 72 7.051 2.163 2.464 1.00 30.40 C ATOM 1094 OG1 THR A 72 8.408 1.926 2.856 1.00 23.04 O ATOM 1095 CG2 THR A 72 6.554 1.010 1.606 1.00 74.34 C ATOM 0 H THR A 72 8.749 2.996 0.782 1.00 12.11 H new ATOM 0 HA THR A 72 6.022 3.531 1.130 1.00 2.34 H new ATOM 0 HB THR A 72 6.420 2.219 3.351 1.00 30.40 H new ATOM 0 HG1 THR A 72 8.475 1.950 3.833 1.00 23.04 H new ATOM 0 HG21 THR A 72 6.651 0.076 2.160 1.00 74.34 H new ATOM 0 HG22 THR A 72 5.507 1.173 1.349 1.00 74.34 H new ATOM 0 HG23 THR A 72 7.147 0.953 0.693 1.00 74.34 H new ATOM 1103 N SER A 73 8.001 4.840 3.481 1.00 65.34 N ATOM 1104 CA SER A 73 8.065 5.855 4.547 1.00 41.13 C ATOM 1105 C SER A 73 7.725 7.260 4.023 1.00 15.24 C ATOM 1106 O SER A 73 7.045 8.035 4.696 1.00 24.24 O ATOM 1107 CB SER A 73 9.452 5.869 5.207 1.00 32.41 C ATOM 1108 OG SER A 73 9.756 4.619 5.813 1.00 23.34 O ATOM 0 H SER A 73 8.870 4.324 3.339 1.00 65.34 H new ATOM 0 HA SER A 73 7.317 5.581 5.291 1.00 41.13 H new ATOM 0 HB2 SER A 73 10.209 6.105 4.459 1.00 32.41 H new ATOM 0 HB3 SER A 73 9.490 6.657 5.959 1.00 32.41 H new ATOM 0 HG SER A 73 8.995 4.324 6.355 1.00 23.34 H new ATOM 1114 N GLN A 74 8.193 7.580 2.817 1.00 51.14 N ATOM 1115 CA GLN A 74 7.913 8.870 2.195 1.00 75.42 C ATOM 1116 C GLN A 74 6.417 9.019 1.853 1.00 72.22 C ATOM 1117 O GLN A 74 5.798 10.033 2.167 1.00 21.22 O ATOM 1118 CB GLN A 74 8.777 9.026 0.936 1.00 41.22 C ATOM 1119 CG GLN A 74 8.209 10.000 -0.079 1.00 53.41 C ATOM 1120 CD GLN A 74 9.075 10.162 -1.319 1.00 74.01 C ATOM 1121 OE1 GLN A 74 9.082 11.211 -1.950 1.00 42.23 O ATOM 1122 NE2 GLN A 74 9.808 9.127 -1.681 1.00 14.12 N ATOM 0 H GLN A 74 8.770 6.959 2.250 1.00 51.14 H new ATOM 0 HA GLN A 74 8.161 9.660 2.904 1.00 75.42 H new ATOM 0 HB2 GLN A 74 9.772 9.360 1.229 1.00 41.22 H new ATOM 0 HB3 GLN A 74 8.894 8.051 0.464 1.00 41.22 H new ATOM 0 HG2 GLN A 74 7.218 9.661 -0.380 1.00 53.41 H new ATOM 0 HG3 GLN A 74 8.083 10.973 0.395 1.00 53.41 H new ATOM 0 HE21 GLN A 74 9.780 8.266 -1.134 1.00 14.12 H new ATOM 0 HE22 GLN A 74 10.402 9.187 -2.508 1.00 14.12 H new ATOM 1131 N ALA A 75 5.844 8.003 1.209 1.00 63.52 N ATOM 1132 CA ALA A 75 4.417 8.011 0.864 1.00 60.10 C ATOM 1133 C ALA A 75 3.542 8.101 2.124 1.00 53.53 C ATOM 1134 O ALA A 75 2.608 8.904 2.199 1.00 54.24 O ATOM 1135 CB ALA A 75 4.070 6.768 0.058 1.00 53.31 C ATOM 0 H ALA A 75 6.343 7.163 0.915 1.00 63.52 H new ATOM 0 HA ALA A 75 4.215 8.894 0.257 1.00 60.10 H new ATOM 0 HB1 ALA A 75 3.010 6.782 -0.194 1.00 53.31 H new ATOM 0 HB2 ALA A 75 4.660 6.752 -0.858 1.00 53.31 H new ATOM 0 HB3 ALA A 75 4.291 5.878 0.648 1.00 53.31 H new ATOM 1141 N VAL A 76 3.857 7.265 3.110 1.00 33.11 N ATOM 1142 CA VAL A 76 3.222 7.333 4.433 1.00 4.00 C ATOM 1143 C VAL A 76 3.316 8.751 5.020 1.00 63.52 C ATOM 1144 O VAL A 76 2.341 9.275 5.568 1.00 31.41 O ATOM 1145 CB VAL A 76 3.869 6.313 5.411 1.00 15.15 C ATOM 1146 CG1 VAL A 76 3.378 6.519 6.845 1.00 54.44 C ATOM 1147 CG2 VAL A 76 3.591 4.884 4.951 1.00 34.33 C ATOM 0 H VAL A 76 4.553 6.525 3.021 1.00 33.11 H new ATOM 0 HA VAL A 76 2.170 7.079 4.305 1.00 4.00 H new ATOM 0 HB VAL A 76 4.946 6.483 5.403 1.00 15.15 H new ATOM 0 HG11 VAL A 76 3.852 5.788 7.500 1.00 54.44 H new ATOM 0 HG12 VAL A 76 3.636 7.525 7.177 1.00 54.44 H new ATOM 0 HG13 VAL A 76 2.296 6.391 6.881 1.00 54.44 H new ATOM 0 HG21 VAL A 76 4.051 4.182 5.647 1.00 34.33 H new ATOM 0 HG22 VAL A 76 2.515 4.714 4.922 1.00 34.33 H new ATOM 0 HG23 VAL A 76 4.009 4.735 3.955 1.00 34.33 H new ATOM 1157 N ASN A 77 4.489 9.370 4.887 1.00 71.20 N ATOM 1158 CA ASN A 77 4.702 10.753 5.335 1.00 50.10 C ATOM 1159 C ASN A 77 3.720 11.711 4.644 1.00 55.14 C ATOM 1160 O ASN A 77 3.055 12.515 5.290 1.00 24.23 O ATOM 1161 CB ASN A 77 6.135 11.192 5.025 1.00 3.33 C ATOM 1162 CG ASN A 77 6.542 12.445 5.779 1.00 32.51 C ATOM 1163 OD1 ASN A 77 6.118 12.672 6.908 1.00 10.23 O ATOM 1164 ND2 ASN A 77 7.353 13.275 5.157 1.00 43.25 N ATOM 0 H ASN A 77 5.313 8.936 4.471 1.00 71.20 H new ATOM 0 HA ASN A 77 4.531 10.788 6.411 1.00 50.10 H new ATOM 0 HB2 ASN A 77 6.821 10.383 5.277 1.00 3.33 H new ATOM 0 HB3 ASN A 77 6.232 11.370 3.954 1.00 3.33 H new ATOM 0 HD21 ASN A 77 7.648 14.138 5.614 1.00 43.25 H new ATOM 0 HD22 ASN A 77 7.686 13.055 4.219 1.00 43.25 H new ATOM 1171 N LEU A 78 3.638 11.596 3.324 1.00 32.51 N ATOM 1172 CA LEU A 78 2.773 12.447 2.500 1.00 21.35 C ATOM 1173 C LEU A 78 1.290 12.323 2.898 1.00 10.44 C ATOM 1174 O LEU A 78 0.578 13.327 2.994 1.00 25.44 O ATOM 1175 CB LEU A 78 2.980 12.077 1.027 1.00 35.53 C ATOM 1176 CG LEU A 78 4.406 12.321 0.510 1.00 54.20 C ATOM 1177 CD1 LEU A 78 4.645 11.590 -0.806 1.00 31.23 C ATOM 1178 CD2 LEU A 78 4.675 13.818 0.355 1.00 3.32 C ATOM 0 H LEU A 78 4.169 10.909 2.789 1.00 32.51 H new ATOM 0 HA LEU A 78 3.048 13.489 2.663 1.00 21.35 H new ATOM 0 HB2 LEU A 78 2.731 11.025 0.890 1.00 35.53 H new ATOM 0 HB3 LEU A 78 2.282 12.651 0.418 1.00 35.53 H new ATOM 0 HG LEU A 78 5.104 11.922 1.246 1.00 54.20 H new ATOM 0 HD11 LEU A 78 5.662 11.781 -1.149 1.00 31.23 H new ATOM 0 HD12 LEU A 78 4.507 10.519 -0.658 1.00 31.23 H new ATOM 0 HD13 LEU A 78 3.937 11.947 -1.554 1.00 31.23 H new ATOM 0 HD21 LEU A 78 5.690 13.969 -0.012 1.00 3.32 H new ATOM 0 HD22 LEU A 78 3.965 14.244 -0.354 1.00 3.32 H new ATOM 0 HD23 LEU A 78 4.562 14.310 1.321 1.00 3.32 H new ATOM 1190 N LEU A 79 0.831 11.093 3.139 1.00 22.40 N ATOM 1191 CA LEU A 79 -0.550 10.858 3.584 1.00 0.35 C ATOM 1192 C LEU A 79 -0.810 11.443 4.976 1.00 33.42 C ATOM 1193 O LEU A 79 -1.751 12.214 5.168 1.00 73.24 O ATOM 1194 CB LEU A 79 -0.871 9.359 3.580 1.00 5.42 C ATOM 1195 CG LEU A 79 -1.059 8.739 2.190 1.00 61.52 C ATOM 1196 CD1 LEU A 79 -1.253 7.230 2.294 1.00 70.23 C ATOM 1197 CD2 LEU A 79 -2.236 9.389 1.466 1.00 63.43 C ATOM 0 H LEU A 79 1.390 10.246 3.035 1.00 22.40 H new ATOM 0 HA LEU A 79 -1.206 11.368 2.878 1.00 0.35 H new ATOM 0 HB2 LEU A 79 -0.067 8.830 4.092 1.00 5.42 H new ATOM 0 HB3 LEU A 79 -1.780 9.196 4.160 1.00 5.42 H new ATOM 0 HG LEU A 79 -0.157 8.925 1.608 1.00 61.52 H new ATOM 0 HD11 LEU A 79 -1.385 6.810 1.297 1.00 70.23 H new ATOM 0 HD12 LEU A 79 -0.377 6.782 2.763 1.00 70.23 H new ATOM 0 HD13 LEU A 79 -2.136 7.017 2.896 1.00 70.23 H new ATOM 0 HD21 LEU A 79 -2.353 8.936 0.482 1.00 63.43 H new ATOM 0 HD22 LEU A 79 -3.147 9.239 2.045 1.00 63.43 H new ATOM 0 HD23 LEU A 79 -2.049 10.457 1.354 1.00 63.43 H new ATOM 1209 N ARG A 80 0.025 11.090 5.950 1.00 11.55 N ATOM 1210 CA ARG A 80 -0.143 11.603 7.314 1.00 13.32 C ATOM 1211 C ARG A 80 0.053 13.130 7.346 1.00 34.23 C ATOM 1212 O ARG A 80 -0.517 13.825 8.192 1.00 72.54 O ATOM 1213 CB ARG A 80 0.816 10.890 8.279 1.00 63.20 C ATOM 1214 CG ARG A 80 2.286 11.257 8.103 1.00 3.24 C ATOM 1215 CD ARG A 80 3.211 10.168 8.640 1.00 10.24 C ATOM 1216 NE ARG A 80 2.821 9.700 9.968 1.00 72.15 N ATOM 1217 CZ ARG A 80 3.602 9.030 10.768 1.00 45.20 C ATOM 1218 NH1 ARG A 80 4.851 8.837 10.474 1.00 24.44 N ATOM 1219 NH2 ARG A 80 3.135 8.585 11.884 1.00 42.23 N ATOM 0 H ARG A 80 0.817 10.459 5.827 1.00 11.55 H new ATOM 0 HA ARG A 80 -1.161 11.394 7.644 1.00 13.32 H new ATOM 0 HB2 ARG A 80 0.518 11.120 9.302 1.00 63.20 H new ATOM 0 HB3 ARG A 80 0.706 9.813 8.149 1.00 63.20 H new ATOM 0 HG2 ARG A 80 2.495 11.423 7.046 1.00 3.24 H new ATOM 0 HG3 ARG A 80 2.491 12.195 8.619 1.00 3.24 H new ATOM 0 HD2 ARG A 80 3.213 9.325 7.949 1.00 10.24 H new ATOM 0 HD3 ARG A 80 4.231 10.550 8.679 1.00 10.24 H new ATOM 0 HE ARG A 80 1.876 9.911 10.290 1.00 72.15 H new ATOM 0 HH11 ARG A 80 5.235 9.212 9.606 1.00 24.44 H new ATOM 0 HH12 ARG A 80 5.449 8.311 11.111 1.00 24.44 H new ATOM 0 HH21 ARG A 80 2.162 8.758 12.135 1.00 42.23 H new ATOM 0 HH22 ARG A 80 3.739 8.060 12.516 1.00 42.23 H new ATOM 1233 N SER A 81 0.849 13.643 6.403 1.00 1.22 N ATOM 1234 CA SER A 81 0.966 15.095 6.176 1.00 25.43 C ATOM 1235 C SER A 81 -0.357 15.672 5.649 1.00 52.43 C ATOM 1236 O SER A 81 -0.750 16.781 6.005 1.00 45.42 O ATOM 1237 CB SER A 81 2.095 15.397 5.176 1.00 72.43 C ATOM 1238 OG SER A 81 2.168 16.782 4.861 1.00 54.03 O ATOM 0 H SER A 81 1.425 13.076 5.781 1.00 1.22 H new ATOM 0 HA SER A 81 1.201 15.565 7.131 1.00 25.43 H new ATOM 0 HB2 SER A 81 3.047 15.069 5.593 1.00 72.43 H new ATOM 0 HB3 SER A 81 1.933 14.825 4.262 1.00 72.43 H new ATOM 0 HG SER A 81 2.897 16.935 4.225 1.00 54.03 H new ATOM 1244 N ALA A 82 -1.046 14.899 4.804 1.00 22.24 N ATOM 1245 CA ALA A 82 -2.365 15.291 4.278 1.00 25.20 C ATOM 1246 C ALA A 82 -3.465 15.161 5.348 1.00 32.44 C ATOM 1247 O ALA A 82 -4.645 15.395 5.078 1.00 22.33 O ATOM 1248 CB ALA A 82 -2.718 14.451 3.048 1.00 15.41 C ATOM 0 H ALA A 82 -0.714 13.995 4.467 1.00 22.24 H new ATOM 0 HA ALA A 82 -2.307 16.340 3.988 1.00 25.20 H new ATOM 0 HB1 ALA A 82 -3.695 14.752 2.670 1.00 15.41 H new ATOM 0 HB2 ALA A 82 -1.966 14.606 2.274 1.00 15.41 H new ATOM 0 HB3 ALA A 82 -2.744 13.397 3.323 1.00 15.41 H new ATOM 1254 N GLY A 83 -3.072 14.775 6.563 1.00 34.12 N ATOM 1255 CA GLY A 83 -4.018 14.677 7.668 1.00 23.24 C ATOM 1256 C GLY A 83 -4.514 13.259 7.927 1.00 70.20 C ATOM 1257 O GLY A 83 -5.347 13.045 8.811 1.00 73.33 O ATOM 0 H GLY A 83 -2.112 14.528 6.803 1.00 34.12 H new ATOM 0 HA2 GLY A 83 -3.546 15.058 8.573 1.00 23.24 H new ATOM 0 HA3 GLY A 83 -4.874 15.319 7.460 1.00 23.24 H new ATOM 1261 N PHE A 84 -4.020 12.286 7.161 1.00 52.00 N ATOM 1262 CA PHE A 84 -4.411 10.885 7.363 1.00 70.14 C ATOM 1263 C PHE A 84 -3.890 10.347 8.707 1.00 23.02 C ATOM 1264 O PHE A 84 -2.701 10.445 9.020 1.00 43.41 O ATOM 1265 CB PHE A 84 -3.931 10.002 6.199 1.00 4.54 C ATOM 1266 CG PHE A 84 -4.681 10.241 4.910 1.00 61.01 C ATOM 1267 CD1 PHE A 84 -4.381 11.332 4.107 1.00 10.31 C ATOM 1268 CD2 PHE A 84 -5.685 9.373 4.498 1.00 63.40 C ATOM 1269 CE1 PHE A 84 -5.063 11.553 2.930 1.00 24.14 C ATOM 1270 CE2 PHE A 84 -6.371 9.592 3.321 1.00 24.13 C ATOM 1271 CZ PHE A 84 -6.060 10.683 2.537 1.00 0.45 C ATOM 0 H PHE A 84 -3.355 12.436 6.402 1.00 52.00 H new ATOM 0 HA PHE A 84 -5.500 10.849 7.388 1.00 70.14 H new ATOM 0 HB2 PHE A 84 -2.869 10.183 6.031 1.00 4.54 H new ATOM 0 HB3 PHE A 84 -4.035 8.954 6.482 1.00 4.54 H new ATOM 0 HD1 PHE A 84 -3.603 12.017 4.408 1.00 10.31 H new ATOM 0 HD2 PHE A 84 -5.932 8.516 5.107 1.00 63.40 H new ATOM 0 HE1 PHE A 84 -4.818 12.406 2.315 1.00 24.14 H new ATOM 0 HE2 PHE A 84 -7.150 8.910 3.014 1.00 24.13 H new ATOM 0 HZ PHE A 84 -6.596 10.857 1.616 1.00 0.45 H new ATOM 1281 N GLU A 85 -4.806 9.802 9.498 1.00 12.34 N ATOM 1282 CA GLU A 85 -4.498 9.278 10.829 1.00 43.51 C ATOM 1283 C GLU A 85 -3.849 7.888 10.760 1.00 22.44 C ATOM 1284 O GLU A 85 -2.700 7.700 11.165 1.00 35.14 O ATOM 1285 CB GLU A 85 -5.792 9.200 11.657 1.00 74.15 C ATOM 1286 CG GLU A 85 -6.488 10.544 11.843 1.00 24.15 C ATOM 1287 CD GLU A 85 -7.804 10.418 12.592 1.00 3.03 C ATOM 1288 OE1 GLU A 85 -7.775 10.372 13.842 1.00 65.32 O ATOM 1289 OE2 GLU A 85 -8.868 10.356 11.939 1.00 41.12 O ATOM 0 H GLU A 85 -5.788 9.709 9.236 1.00 12.34 H new ATOM 0 HA GLU A 85 -3.786 9.955 11.300 1.00 43.51 H new ATOM 0 HB2 GLU A 85 -6.481 8.509 11.172 1.00 74.15 H new ATOM 0 HB3 GLU A 85 -5.560 8.783 12.637 1.00 74.15 H new ATOM 0 HG2 GLU A 85 -5.827 11.220 12.386 1.00 24.15 H new ATOM 0 HG3 GLU A 85 -6.671 10.993 10.867 1.00 24.15 H new ATOM 1296 N HIS A 86 -4.593 6.913 10.232 1.00 43.32 N ATOM 1297 CA HIS A 86 -4.152 5.508 10.252 1.00 62.01 C ATOM 1298 C HIS A 86 -3.389 5.126 8.973 1.00 22.23 C ATOM 1299 O HIS A 86 -3.967 4.596 8.026 1.00 13.44 O ATOM 1300 CB HIS A 86 -5.356 4.570 10.449 1.00 34.12 C ATOM 1301 CG HIS A 86 -6.114 4.811 11.721 1.00 34.13 C ATOM 1302 ND1 HIS A 86 -7.105 3.970 12.176 1.00 40.12 N ATOM 1303 CD2 HIS A 86 -6.034 5.810 12.633 1.00 21.53 C ATOM 1304 CE1 HIS A 86 -7.598 4.441 13.302 1.00 61.33 C ATOM 1305 NE2 HIS A 86 -6.965 5.554 13.602 1.00 14.33 N ATOM 0 H HIS A 86 -5.498 7.064 9.787 1.00 43.32 H new ATOM 0 HA HIS A 86 -3.466 5.396 11.092 1.00 62.01 H new ATOM 0 HB2 HIS A 86 -6.036 4.686 9.605 1.00 34.12 H new ATOM 0 HB3 HIS A 86 -5.006 3.538 10.437 1.00 34.12 H new ATOM 0 HD1 HIS A 86 -7.410 3.114 11.712 1.00 40.12 H new ATOM 0 HD2 HIS A 86 -5.360 6.653 12.601 1.00 21.53 H new ATOM 0 HE1 HIS A 86 -8.389 3.989 13.882 1.00 61.33 H new ATOM 1314 N VAL A 87 -2.086 5.401 8.951 1.00 14.24 N ATOM 1315 CA VAL A 87 -1.251 5.076 7.788 1.00 2.41 C ATOM 1316 C VAL A 87 -0.075 4.164 8.178 1.00 72.55 C ATOM 1317 O VAL A 87 0.755 4.516 9.019 1.00 62.14 O ATOM 1318 CB VAL A 87 -0.697 6.356 7.109 1.00 34.44 C ATOM 1319 CG1 VAL A 87 -0.006 6.016 5.790 1.00 12.52 C ATOM 1320 CG2 VAL A 87 -1.808 7.380 6.888 1.00 23.11 C ATOM 0 H VAL A 87 -1.584 5.846 9.720 1.00 14.24 H new ATOM 0 HA VAL A 87 -1.893 4.549 7.082 1.00 2.41 H new ATOM 0 HB VAL A 87 0.043 6.797 7.777 1.00 34.44 H new ATOM 0 HG11 VAL A 87 0.374 6.929 5.332 1.00 12.52 H new ATOM 0 HG12 VAL A 87 0.822 5.333 5.979 1.00 12.52 H new ATOM 0 HG13 VAL A 87 -0.720 5.543 5.116 1.00 12.52 H new ATOM 0 HG21 VAL A 87 -1.394 8.268 6.411 1.00 23.11 H new ATOM 0 HG22 VAL A 87 -2.578 6.949 6.248 1.00 23.11 H new ATOM 0 HG23 VAL A 87 -2.246 7.654 7.848 1.00 23.11 H new ATOM 1330 N SER A 88 -0.014 2.991 7.559 1.00 11.10 N ATOM 1331 CA SER A 88 1.068 2.028 7.804 1.00 75.54 C ATOM 1332 C SER A 88 1.807 1.694 6.510 1.00 2.23 C ATOM 1333 O SER A 88 1.277 1.886 5.417 1.00 33.03 O ATOM 1334 CB SER A 88 0.513 0.737 8.420 1.00 54.24 C ATOM 1335 OG SER A 88 1.522 -0.254 8.547 1.00 0.12 O ATOM 0 H SER A 88 -0.704 2.676 6.877 1.00 11.10 H new ATOM 0 HA SER A 88 1.767 2.489 8.502 1.00 75.54 H new ATOM 0 HB2 SER A 88 0.089 0.953 9.400 1.00 54.24 H new ATOM 0 HB3 SER A 88 -0.297 0.355 7.799 1.00 54.24 H new ATOM 0 HG SER A 88 1.138 -1.063 8.944 1.00 0.12 H new ATOM 1341 N GLU A 89 3.031 1.197 6.633 1.00 73.10 N ATOM 1342 CA GLU A 89 3.817 0.791 5.466 1.00 63.32 C ATOM 1343 C GLU A 89 4.124 -0.713 5.493 1.00 72.04 C ATOM 1344 O GLU A 89 4.460 -1.280 6.538 1.00 44.52 O ATOM 1345 CB GLU A 89 5.113 1.614 5.367 1.00 31.24 C ATOM 1346 CG GLU A 89 6.030 1.504 6.579 1.00 13.53 C ATOM 1347 CD GLU A 89 7.246 2.414 6.478 1.00 40.53 C ATOM 1348 OE1 GLU A 89 8.196 2.068 5.744 1.00 42.03 O ATOM 1349 OE2 GLU A 89 7.254 3.484 7.123 1.00 53.20 O ATOM 0 H GLU A 89 3.504 1.064 7.527 1.00 73.10 H new ATOM 0 HA GLU A 89 3.218 0.989 4.577 1.00 63.32 H new ATOM 0 HB2 GLU A 89 5.663 1.295 4.482 1.00 31.24 H new ATOM 0 HB3 GLU A 89 4.852 2.662 5.220 1.00 31.24 H new ATOM 0 HG2 GLU A 89 5.468 1.754 7.479 1.00 13.53 H new ATOM 0 HG3 GLU A 89 6.362 0.471 6.686 1.00 13.53 H new ATOM 1356 N LEU A 90 3.993 -1.353 4.336 1.00 75.12 N ATOM 1357 CA LEU A 90 4.177 -2.799 4.222 1.00 72.31 C ATOM 1358 C LEU A 90 5.661 -3.161 4.056 1.00 12.31 C ATOM 1359 O LEU A 90 6.228 -3.026 2.969 1.00 22.31 O ATOM 1360 CB LEU A 90 3.363 -3.340 3.038 1.00 5.54 C ATOM 1361 CG LEU A 90 3.156 -4.860 3.028 1.00 60.13 C ATOM 1362 CD1 LEU A 90 2.358 -5.293 4.254 1.00 63.50 C ATOM 1363 CD2 LEU A 90 2.460 -5.307 1.741 1.00 65.55 C ATOM 0 H LEU A 90 3.759 -0.891 3.457 1.00 75.12 H new ATOM 0 HA LEU A 90 3.821 -3.260 5.143 1.00 72.31 H new ATOM 0 HB2 LEU A 90 2.386 -2.856 3.038 1.00 5.54 H new ATOM 0 HB3 LEU A 90 3.862 -3.051 2.113 1.00 5.54 H new ATOM 0 HG LEU A 90 4.133 -5.341 3.064 1.00 60.13 H new ATOM 0 HD11 LEU A 90 2.218 -6.374 4.234 1.00 63.50 H new ATOM 0 HD12 LEU A 90 2.899 -5.014 5.158 1.00 63.50 H new ATOM 0 HD13 LEU A 90 1.385 -4.801 4.247 1.00 63.50 H new ATOM 0 HD21 LEU A 90 2.324 -6.388 1.757 1.00 65.55 H new ATOM 0 HD22 LEU A 90 1.488 -4.820 1.665 1.00 65.55 H new ATOM 0 HD23 LEU A 90 3.072 -5.031 0.882 1.00 65.55 H new ATOM 1375 N LYS A 91 6.281 -3.616 5.142 1.00 1.44 N ATOM 1376 CA LYS A 91 7.703 -3.970 5.140 1.00 2.42 C ATOM 1377 C LYS A 91 7.999 -5.132 4.179 1.00 14.22 C ATOM 1378 O LYS A 91 7.576 -6.269 4.405 1.00 11.30 O ATOM 1379 CB LYS A 91 8.163 -4.324 6.563 1.00 14.11 C ATOM 1380 CG LYS A 91 8.008 -3.174 7.554 1.00 5.45 C ATOM 1381 CD LYS A 91 8.724 -3.439 8.878 1.00 2.11 C ATOM 1382 CE LYS A 91 8.157 -4.641 9.624 1.00 62.11 C ATOM 1383 NZ LYS A 91 8.812 -4.821 10.948 1.00 73.22 N ATOM 0 H LYS A 91 5.819 -3.750 6.042 1.00 1.44 H new ATOM 0 HA LYS A 91 8.261 -3.102 4.788 1.00 2.42 H new ATOM 0 HB2 LYS A 91 7.591 -5.180 6.919 1.00 14.11 H new ATOM 0 HB3 LYS A 91 9.209 -4.630 6.533 1.00 14.11 H new ATOM 0 HG2 LYS A 91 8.401 -2.260 7.109 1.00 5.45 H new ATOM 0 HG3 LYS A 91 6.948 -3.005 7.746 1.00 5.45 H new ATOM 0 HD2 LYS A 91 9.784 -3.603 8.686 1.00 2.11 H new ATOM 0 HD3 LYS A 91 8.647 -2.555 9.511 1.00 2.11 H new ATOM 0 HE2 LYS A 91 7.084 -4.511 9.763 1.00 62.11 H new ATOM 0 HE3 LYS A 91 8.294 -5.541 9.024 1.00 62.11 H new ATOM 0 HZ1 LYS A 91 8.402 -5.647 11.428 1.00 73.22 H new ATOM 0 HZ2 LYS A 91 9.832 -4.969 10.813 1.00 73.22 H new ATOM 0 HZ3 LYS A 91 8.660 -3.972 11.529 1.00 73.22 H new ATOM 1397 N GLY A 92 8.722 -4.826 3.103 1.00 11.21 N ATOM 1398 CA GLY A 92 9.063 -5.827 2.096 1.00 14.53 C ATOM 1399 C GLY A 92 8.370 -5.586 0.755 1.00 24.24 C ATOM 1400 O GLY A 92 8.726 -6.197 -0.257 1.00 5.30 O ATOM 0 H GLY A 92 9.083 -3.892 2.907 1.00 11.21 H new ATOM 0 HA2 GLY A 92 10.143 -5.830 1.945 1.00 14.53 H new ATOM 0 HA3 GLY A 92 8.791 -6.815 2.467 1.00 14.53 H new ATOM 1404 N GLY A 93 7.366 -4.709 0.756 1.00 2.35 N ATOM 1405 CA GLY A 93 6.668 -4.348 -0.476 1.00 71.21 C ATOM 1406 C GLY A 93 5.975 -5.524 -1.170 1.00 54.12 C ATOM 1407 O GLY A 93 5.571 -6.499 -0.526 1.00 72.13 O ATOM 0 H GLY A 93 7.020 -4.238 1.592 1.00 2.35 H new ATOM 0 HA2 GLY A 93 5.924 -3.585 -0.249 1.00 71.21 H new ATOM 0 HA3 GLY A 93 7.382 -3.901 -1.168 1.00 71.21 H new ATOM 1411 N LEU A 94 5.847 -5.430 -2.495 1.00 20.12 N ATOM 1412 CA LEU A 94 5.155 -6.454 -3.288 1.00 13.23 C ATOM 1413 C LEU A 94 5.914 -7.796 -3.269 1.00 2.35 C ATOM 1414 O LEU A 94 5.307 -8.858 -3.137 1.00 63.34 O ATOM 1415 CB LEU A 94 4.975 -5.961 -4.734 1.00 53.41 C ATOM 1416 CG LEU A 94 4.130 -6.873 -5.640 1.00 15.10 C ATOM 1417 CD1 LEU A 94 2.705 -7.011 -5.105 1.00 3.54 C ATOM 1418 CD2 LEU A 94 4.120 -6.352 -7.076 1.00 14.41 C ATOM 0 H LEU A 94 6.214 -4.653 -3.045 1.00 20.12 H new ATOM 0 HA LEU A 94 4.176 -6.625 -2.840 1.00 13.23 H new ATOM 0 HB2 LEU A 94 4.514 -4.974 -4.709 1.00 53.41 H new ATOM 0 HB3 LEU A 94 5.960 -5.841 -5.185 1.00 53.41 H new ATOM 0 HG LEU A 94 4.587 -7.863 -5.639 1.00 15.10 H new ATOM 0 HD11 LEU A 94 2.130 -7.661 -5.765 1.00 3.54 H new ATOM 0 HD12 LEU A 94 2.732 -7.442 -4.104 1.00 3.54 H new ATOM 0 HD13 LEU A 94 2.235 -6.028 -5.064 1.00 3.54 H new ATOM 0 HD21 LEU A 94 3.516 -7.013 -7.699 1.00 14.41 H new ATOM 0 HD22 LEU A 94 3.697 -5.348 -7.096 1.00 14.41 H new ATOM 0 HD23 LEU A 94 5.140 -6.323 -7.460 1.00 14.41 H new ATOM 1430 N ALA A 95 7.242 -7.737 -3.404 1.00 22.23 N ATOM 1431 CA ALA A 95 8.093 -8.934 -3.373 1.00 30.20 C ATOM 1432 C ALA A 95 7.832 -9.801 -2.131 1.00 21.32 C ATOM 1433 O ALA A 95 7.701 -11.019 -2.239 1.00 61.42 O ATOM 1434 CB ALA A 95 9.563 -8.536 -3.437 1.00 70.25 C ATOM 0 H ALA A 95 7.756 -6.866 -3.537 1.00 22.23 H new ATOM 0 HA ALA A 95 7.840 -9.534 -4.247 1.00 30.20 H new ATOM 0 HB1 ALA A 95 10.184 -9.432 -3.413 1.00 70.25 H new ATOM 0 HB2 ALA A 95 9.752 -7.988 -4.360 1.00 70.25 H new ATOM 0 HB3 ALA A 95 9.806 -7.903 -2.583 1.00 70.25 H new ATOM 1440 N ALA A 96 7.752 -9.177 -0.955 1.00 51.23 N ATOM 1441 CA ALA A 96 7.437 -9.906 0.281 1.00 2.22 C ATOM 1442 C ALA A 96 6.029 -10.520 0.223 1.00 74.11 C ATOM 1443 O ALA A 96 5.832 -11.690 0.567 1.00 52.43 O ATOM 1444 CB ALA A 96 7.567 -8.986 1.488 1.00 52.55 C ATOM 0 H ALA A 96 7.899 -8.176 -0.829 1.00 51.23 H new ATOM 0 HA ALA A 96 8.154 -10.721 0.382 1.00 2.22 H new ATOM 0 HB1 ALA A 96 7.330 -9.541 2.396 1.00 52.55 H new ATOM 0 HB2 ALA A 96 8.588 -8.608 1.549 1.00 52.55 H new ATOM 0 HB3 ALA A 96 6.876 -8.149 1.384 1.00 52.55 H new ATOM 1450 N TRP A 97 5.054 -9.724 -0.220 1.00 4.04 N ATOM 1451 CA TRP A 97 3.677 -10.202 -0.411 1.00 63.23 C ATOM 1452 C TRP A 97 3.650 -11.437 -1.330 1.00 3.14 C ATOM 1453 O TRP A 97 2.898 -12.383 -1.107 1.00 4.45 O ATOM 1454 CB TRP A 97 2.815 -9.072 -1.001 1.00 25.41 C ATOM 1455 CG TRP A 97 1.368 -9.429 -1.181 1.00 74.42 C ATOM 1456 CD1 TRP A 97 0.784 -9.941 -2.301 1.00 52.14 C ATOM 1457 CD2 TRP A 97 0.325 -9.290 -0.212 1.00 2.03 C ATOM 1458 NE1 TRP A 97 -0.557 -10.138 -2.086 1.00 43.33 N ATOM 1459 CE2 TRP A 97 -0.865 -9.745 -0.811 1.00 13.24 C ATOM 1460 CE3 TRP A 97 0.280 -8.830 1.105 1.00 60.51 C ATOM 1461 CZ2 TRP A 97 -2.084 -9.749 -0.139 1.00 53.24 C ATOM 1462 CZ3 TRP A 97 -0.930 -8.834 1.770 1.00 61.33 C ATOM 1463 CH2 TRP A 97 -2.098 -9.293 1.148 1.00 21.43 C ATOM 0 H TRP A 97 5.190 -8.741 -0.455 1.00 4.04 H new ATOM 0 HA TRP A 97 3.269 -10.495 0.556 1.00 63.23 H new ATOM 0 HB2 TRP A 97 2.884 -8.201 -0.350 1.00 25.41 H new ATOM 0 HB3 TRP A 97 3.229 -8.782 -1.967 1.00 25.41 H new ATOM 0 HD1 TRP A 97 1.301 -10.160 -3.223 1.00 52.14 H new ATOM 0 HE1 TRP A 97 -1.217 -10.516 -2.766 1.00 43.33 H new ATOM 0 HE3 TRP A 97 1.175 -8.477 1.595 1.00 60.51 H new ATOM 0 HZ2 TRP A 97 -2.986 -10.100 -0.618 1.00 53.24 H new ATOM 0 HZ3 TRP A 97 -0.977 -8.477 2.788 1.00 61.33 H new ATOM 0 HH2 TRP A 97 -3.028 -9.286 1.697 1.00 21.43 H new ATOM 1474 N LYS A 98 4.493 -11.417 -2.352 1.00 41.23 N ATOM 1475 CA LYS A 98 4.604 -12.526 -3.301 1.00 1.35 C ATOM 1476 C LYS A 98 5.413 -13.702 -2.720 1.00 75.20 C ATOM 1477 O LYS A 98 5.134 -14.864 -3.021 1.00 15.40 O ATOM 1478 CB LYS A 98 5.265 -12.023 -4.593 1.00 72.42 C ATOM 1479 CG LYS A 98 4.422 -11.006 -5.359 1.00 70.32 C ATOM 1480 CD LYS A 98 5.250 -10.224 -6.380 1.00 2.23 C ATOM 1481 CE LYS A 98 6.080 -11.136 -7.275 1.00 24.11 C ATOM 1482 NZ LYS A 98 6.711 -10.394 -8.396 1.00 12.11 N ATOM 0 H LYS A 98 5.119 -10.637 -2.550 1.00 41.23 H new ATOM 0 HA LYS A 98 3.600 -12.894 -3.511 1.00 1.35 H new ATOM 0 HB2 LYS A 98 6.227 -11.573 -4.347 1.00 72.42 H new ATOM 0 HB3 LYS A 98 5.469 -12.875 -5.242 1.00 72.42 H new ATOM 0 HG2 LYS A 98 3.609 -11.522 -5.871 1.00 70.32 H new ATOM 0 HG3 LYS A 98 3.965 -10.311 -4.655 1.00 70.32 H new ATOM 0 HD2 LYS A 98 4.585 -9.621 -6.998 1.00 2.23 H new ATOM 0 HD3 LYS A 98 5.911 -9.534 -5.856 1.00 2.23 H new ATOM 0 HE2 LYS A 98 6.854 -11.620 -6.680 1.00 24.11 H new ATOM 0 HE3 LYS A 98 5.445 -11.926 -7.676 1.00 24.11 H new ATOM 0 HZ1 LYS A 98 7.266 -11.052 -8.979 1.00 12.11 H new ATOM 0 HZ2 LYS A 98 5.972 -9.953 -8.980 1.00 12.11 H new ATOM 0 HZ3 LYS A 98 7.338 -9.657 -8.015 1.00 12.11 H new ATOM 1496 N ALA A 99 6.413 -13.392 -1.894 1.00 74.24 N ATOM 1497 CA ALA A 99 7.273 -14.418 -1.284 1.00 12.44 C ATOM 1498 C ALA A 99 6.468 -15.379 -0.399 1.00 55.21 C ATOM 1499 O ALA A 99 6.739 -16.582 -0.359 1.00 5.22 O ATOM 1500 CB ALA A 99 8.385 -13.757 -0.475 1.00 2.52 C ATOM 0 H ALA A 99 6.651 -12.436 -1.629 1.00 74.24 H new ATOM 0 HA ALA A 99 7.715 -15.005 -2.089 1.00 12.44 H new ATOM 0 HB1 ALA A 99 9.016 -14.525 -0.028 1.00 2.52 H new ATOM 0 HB2 ALA A 99 8.988 -13.129 -1.131 1.00 2.52 H new ATOM 0 HB3 ALA A 99 7.947 -13.144 0.312 1.00 2.52 H new ATOM 1506 N ILE A 100 5.476 -14.837 0.302 1.00 24.50 N ATOM 1507 CA ILE A 100 4.585 -15.632 1.162 1.00 71.31 C ATOM 1508 C ILE A 100 3.418 -16.248 0.364 1.00 13.12 C ATOM 1509 O ILE A 100 2.491 -16.826 0.939 1.00 44.30 O ATOM 1510 CB ILE A 100 4.001 -14.751 2.294 1.00 34.23 C ATOM 1511 CG1 ILE A 100 3.184 -13.602 1.679 1.00 24.22 C ATOM 1512 CG2 ILE A 100 5.122 -14.212 3.185 1.00 61.24 C ATOM 1513 CD1 ILE A 100 2.611 -12.638 2.687 1.00 23.55 C ATOM 0 H ILE A 100 5.262 -13.840 0.295 1.00 24.50 H new ATOM 0 HA ILE A 100 5.185 -16.438 1.583 1.00 71.31 H new ATOM 0 HB ILE A 100 3.342 -15.355 2.918 1.00 34.23 H new ATOM 0 HG12 ILE A 100 3.820 -13.050 0.987 1.00 24.22 H new ATOM 0 HG13 ILE A 100 2.368 -14.025 1.094 1.00 24.22 H new ATOM 0 HG21 ILE A 100 4.694 -13.595 3.975 1.00 61.24 H new ATOM 0 HG22 ILE A 100 5.666 -15.045 3.630 1.00 61.24 H new ATOM 0 HG23 ILE A 100 5.806 -13.611 2.586 1.00 61.24 H new ATOM 0 HD11 ILE A 100 2.050 -11.860 2.169 1.00 23.55 H new ATOM 0 HD12 ILE A 100 1.947 -13.173 3.365 1.00 23.55 H new ATOM 0 HD13 ILE A 100 3.421 -12.183 3.257 1.00 23.55 H new ATOM 1525 N GLY A 101 3.462 -16.115 -0.960 1.00 43.25 N ATOM 1526 CA GLY A 101 2.384 -16.619 -1.806 1.00 51.50 C ATOM 1527 C GLY A 101 1.096 -15.809 -1.674 1.00 11.33 C ATOM 1528 O GLY A 101 -0.001 -16.365 -1.678 1.00 12.14 O ATOM 0 H GLY A 101 4.226 -15.667 -1.466 1.00 43.25 H new ATOM 0 HA2 GLY A 101 2.710 -16.607 -2.846 1.00 51.50 H new ATOM 0 HA3 GLY A 101 2.182 -17.658 -1.547 1.00 51.50 H new ATOM 1532 N GLY A 102 1.234 -14.494 -1.528 1.00 32.12 N ATOM 1533 CA GLY A 102 0.075 -13.616 -1.426 1.00 45.42 C ATOM 1534 C GLY A 102 -0.665 -13.438 -2.750 1.00 5.03 C ATOM 1535 O GLY A 102 -0.050 -13.473 -3.818 1.00 40.31 O ATOM 0 H GLY A 102 2.133 -14.016 -1.478 1.00 32.12 H new ATOM 0 HA2 GLY A 102 -0.614 -14.020 -0.684 1.00 45.42 H new ATOM 0 HA3 GLY A 102 0.398 -12.640 -1.064 1.00 45.42 H new ATOM 1539 N PRO A 103 -1.996 -13.249 -2.710 1.00 22.41 N ATOM 1540 CA PRO A 103 -2.810 -13.037 -3.923 1.00 20.42 C ATOM 1541 C PRO A 103 -2.451 -11.730 -4.654 1.00 75.24 C ATOM 1542 O PRO A 103 -2.591 -10.636 -4.095 1.00 21.21 O ATOM 1543 CB PRO A 103 -4.254 -12.981 -3.383 1.00 4.31 C ATOM 1544 CG PRO A 103 -4.186 -13.586 -2.020 1.00 50.14 C ATOM 1545 CD PRO A 103 -2.822 -13.248 -1.491 1.00 5.43 C ATOM 0 HA PRO A 103 -2.650 -13.822 -4.662 1.00 20.42 H new ATOM 0 HB2 PRO A 103 -4.619 -11.955 -3.341 1.00 4.31 H new ATOM 0 HB3 PRO A 103 -4.937 -13.536 -4.026 1.00 4.31 H new ATOM 0 HG2 PRO A 103 -4.967 -13.184 -1.374 1.00 50.14 H new ATOM 0 HG3 PRO A 103 -4.332 -14.665 -2.063 1.00 50.14 H new ATOM 0 HD2 PRO A 103 -2.809 -12.278 -0.993 1.00 5.43 H new ATOM 0 HD3 PRO A 103 -2.475 -13.984 -0.765 1.00 5.43 H new ATOM 1553 N THR A 104 -1.980 -11.836 -5.899 1.00 13.43 N ATOM 1554 CA THR A 104 -1.609 -10.645 -6.683 1.00 21.42 C ATOM 1555 C THR A 104 -2.319 -10.588 -8.040 1.00 61.34 C ATOM 1556 O THR A 104 -2.885 -11.574 -8.517 1.00 20.44 O ATOM 1557 CB THR A 104 -0.083 -10.569 -6.948 1.00 12.44 C ATOM 1558 OG1 THR A 104 0.324 -11.608 -7.850 1.00 5.42 O ATOM 1559 CG2 THR A 104 0.712 -10.682 -5.653 1.00 14.41 C ATOM 0 H THR A 104 -1.846 -12.722 -6.386 1.00 13.43 H new ATOM 0 HA THR A 104 -1.924 -9.800 -6.070 1.00 21.42 H new ATOM 0 HB THR A 104 0.122 -9.597 -7.398 1.00 12.44 H new ATOM 0 HG1 THR A 104 1.289 -11.545 -8.008 1.00 5.42 H new ATOM 0 HG21 THR A 104 1.778 -10.625 -5.874 1.00 14.41 H new ATOM 0 HG22 THR A 104 0.436 -9.867 -4.984 1.00 14.41 H new ATOM 0 HG23 THR A 104 0.492 -11.635 -5.173 1.00 14.41 H new ATOM 1567 N GLU A 105 -2.271 -9.410 -8.648 1.00 0.13 N ATOM 1568 CA GLU A 105 -2.785 -9.179 -10.001 1.00 13.23 C ATOM 1569 C GLU A 105 -1.794 -8.329 -10.790 1.00 53.32 C ATOM 1570 O GLU A 105 -0.845 -7.780 -10.231 1.00 4.45 O ATOM 1571 CB GLU A 105 -4.128 -8.440 -9.967 1.00 40.12 C ATOM 1572 CG GLU A 105 -5.224 -9.164 -9.213 1.00 55.12 C ATOM 1573 CD GLU A 105 -6.466 -8.303 -9.036 1.00 12.41 C ATOM 1574 OE1 GLU A 105 -6.444 -7.376 -8.198 1.00 31.34 O ATOM 1575 OE2 GLU A 105 -7.458 -8.525 -9.760 1.00 43.24 O ATOM 0 H GLU A 105 -1.871 -8.577 -8.216 1.00 0.13 H new ATOM 0 HA GLU A 105 -2.922 -10.152 -10.473 1.00 13.23 H new ATOM 0 HB2 GLU A 105 -3.978 -7.460 -9.513 1.00 40.12 H new ATOM 0 HB3 GLU A 105 -4.460 -8.269 -10.991 1.00 40.12 H new ATOM 0 HG2 GLU A 105 -5.489 -10.076 -9.748 1.00 55.12 H new ATOM 0 HG3 GLU A 105 -4.851 -9.466 -8.234 1.00 55.12 H new ATOM 1582 N GLY A 106 -2.035 -8.192 -12.079 1.00 11.14 N ATOM 1583 CA GLY A 106 -1.190 -7.331 -12.903 1.00 13.11 C ATOM 1584 C GLY A 106 -0.737 -7.973 -14.209 1.00 65.22 C ATOM 1585 O GLY A 106 -0.658 -9.197 -14.325 1.00 41.31 O ATOM 0 H GLY A 106 -2.795 -8.655 -12.578 1.00 11.14 H new ATOM 0 HA2 GLY A 106 -1.735 -6.415 -13.130 1.00 13.11 H new ATOM 0 HA3 GLY A 106 -0.310 -7.044 -12.327 1.00 13.11 H new ATOM 1589 N ILE A 107 -0.422 -7.134 -15.188 1.00 30.04 N ATOM 1590 CA ILE A 107 0.028 -7.597 -16.500 1.00 61.31 C ATOM 1591 C ILE A 107 1.355 -8.369 -16.398 1.00 4.11 C ATOM 1592 O ILE A 107 1.462 -9.503 -16.873 1.00 3.35 O ATOM 1593 CB ILE A 107 0.194 -6.409 -17.479 1.00 55.14 C ATOM 1594 CG1 ILE A 107 -1.086 -5.550 -17.490 1.00 22.53 C ATOM 1595 CG2 ILE A 107 0.537 -6.907 -18.885 1.00 1.25 C ATOM 1596 CD1 ILE A 107 -1.052 -4.396 -18.473 1.00 53.44 C ATOM 0 H ILE A 107 -0.470 -6.119 -15.099 1.00 30.04 H new ATOM 0 HA ILE A 107 -0.738 -8.271 -16.883 1.00 61.31 H new ATOM 0 HB ILE A 107 1.022 -5.788 -17.138 1.00 55.14 H new ATOM 0 HG12 ILE A 107 -1.937 -6.189 -17.726 1.00 22.53 H new ATOM 0 HG13 ILE A 107 -1.253 -5.154 -16.488 1.00 22.53 H new ATOM 0 HG21 ILE A 107 0.649 -6.055 -19.556 1.00 1.25 H new ATOM 0 HG22 ILE A 107 1.470 -7.469 -18.854 1.00 1.25 H new ATOM 0 HG23 ILE A 107 -0.263 -7.552 -19.248 1.00 1.25 H new ATOM 0 HD11 ILE A 107 -1.990 -3.843 -18.417 1.00 53.44 H new ATOM 0 HD12 ILE A 107 -0.224 -3.732 -18.226 1.00 53.44 H new ATOM 0 HD13 ILE A 107 -0.918 -4.783 -19.483 1.00 53.44 H new ATOM 1608 N ILE A 108 2.360 -7.765 -15.760 1.00 11.22 N ATOM 1609 CA ILE A 108 3.663 -8.427 -15.604 1.00 61.45 C ATOM 1610 C ILE A 108 3.606 -9.540 -14.548 1.00 54.43 C ATOM 1611 O ILE A 108 4.263 -10.578 -14.680 1.00 51.42 O ATOM 1612 CB ILE A 108 4.792 -7.409 -15.271 1.00 51.25 C ATOM 1613 CG1 ILE A 108 5.190 -6.600 -16.524 1.00 11.01 C ATOM 1614 CG2 ILE A 108 6.018 -8.109 -14.686 1.00 51.24 C ATOM 1615 CD1 ILE A 108 4.090 -5.720 -17.086 1.00 4.33 C ATOM 0 H ILE A 108 2.302 -6.834 -15.348 1.00 11.22 H new ATOM 0 HA ILE A 108 3.902 -8.885 -16.564 1.00 61.45 H new ATOM 0 HB ILE A 108 4.401 -6.722 -14.520 1.00 51.25 H new ATOM 0 HG12 ILE A 108 6.048 -5.974 -16.278 1.00 11.01 H new ATOM 0 HG13 ILE A 108 5.514 -7.294 -17.300 1.00 11.01 H new ATOM 0 HG21 ILE A 108 6.788 -7.370 -14.465 1.00 51.24 H new ATOM 0 HG22 ILE A 108 5.738 -8.627 -13.769 1.00 51.24 H new ATOM 0 HG23 ILE A 108 6.404 -8.830 -15.407 1.00 51.24 H new ATOM 0 HD11 ILE A 108 4.460 -5.190 -17.964 1.00 4.33 H new ATOM 0 HD12 ILE A 108 3.238 -6.338 -17.368 1.00 4.33 H new ATOM 0 HD13 ILE A 108 3.780 -4.998 -16.331 1.00 4.33 H new