USER MOD reduce.3.24.130724 H: found=0, std=0, add=1050, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1050 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 GLN : amide:sc= -0.502 K(o=0.22,f=-5.6) USER MOD Set 1.2: A 117 GLN : amide:sc= 0.721 K(o=0.22,f=-5.5!) USER MOD Set 2.1: A 30 CYS SG : rot 8:sc= 1.51 USER MOD Set 2.2: A 41 THR OG1 : rot -120:sc= 1.35 USER MOD Single : A 7 THR OG1 : rot 71:sc= 0.975 USER MOD Single : A 11 SER OG : rot 127:sc= 1.23 USER MOD Single : A 21 MET CE :methyl 179:sc= 0 (180deg=-0.000972) USER MOD Single : A 22 LYS NZ :NH3+ 159:sc= 1.99 (180deg=1.68) USER MOD Single : A 23 LYS NZ :NH3+ -168:sc= -0.016 (180deg=-0.201) USER MOD Single : A 24 SER OG : rot 76:sc= 1.22 USER MOD Single : A 26 TYR OH : rot -164:sc= -0.028 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl 165:sc= -0.735 (180deg=-1.31) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 158:sc= 1.25 (180deg=0.918) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0.355 X(o=0.35,f=0) USER MOD Single : A 50 TYR OH : rot -45:sc= 0.486 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -166:sc= 2.44 (180deg=2.31) USER MOD Single : A 56 LYS NZ :NH3+ 161:sc= 2.34 (180deg=1.92) USER MOD Single : A 58 SER OG : rot -19:sc= 1.11 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -168:sc= 1.28 (180deg=1.1) USER MOD Single : A 63 CYS SG : rot 150:sc= -0.181! USER MOD Single : A 64 TYR OH : rot 51:sc= -1.09 USER MOD Single : A 71 TYR OH : rot 82:sc= 1.06 USER MOD Single : A 72 ASN : amide:sc= 0.123 K(o=0.12,f=-6.7!) USER MOD Single : A 76 SER OG : rot -157:sc= 0.155 USER MOD Single : A 77 LYS NZ :NH3+ -166:sc= -0.0377 (180deg=-0.267) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 MET CE :methyl -164:sc= -0.066 (180deg=-0.426) USER MOD Single : A 98 MET CE :methyl 162:sc= -0.114 (180deg=-0.474) USER MOD Single : A 99 TYR OH : rot 180:sc= 0.799 USER MOD Single : A 100 SER OG : rot 101:sc= 1.22 USER MOD Single : A 102 SER OG : rot 137:sc= -0.102 USER MOD Single : A 107 SER OG : rot 99:sc= 0.859 USER MOD Single : A 108 SER OG : rot 60:sc= 0.675 USER MOD Single : A 110 SER OG : rot 84:sc= 0.977 USER MOD Single : A 113 TYR OH : rot 28:sc= -1.16! USER MOD Single : A 119 ASN : amide:sc= -1.63! K(o=-1.6!,f=-0.0029) USER MOD Single : A 122 SER OG : rot 180:sc= 0.0334 USER MOD Single : A 132 LYS NZ :NH3+ -173:sc= 1.09 (180deg=1.04) USER MOD Single : A 136 HIS : no HE2:sc= -0.12 K(o=-0.12,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 58 N GLY A 5 -7.225 -15.796 -10.102 1.00 62.13 N ATOM 59 CA GLY A 5 -7.015 -14.817 -11.123 1.00 15.34 C ATOM 60 C GLY A 5 -7.222 -13.468 -10.520 1.00 0.02 C ATOM 61 O GLY A 5 -8.212 -12.789 -10.813 1.00 54.25 O ATOM 0 HA2 GLY A 5 -6.007 -14.902 -11.530 1.00 15.34 H new ATOM 0 HA3 GLY A 5 -7.707 -14.975 -11.950 1.00 15.34 H new ATOM 65 N VAL A 6 -6.289 -13.113 -9.657 1.00 25.23 N ATOM 66 CA VAL A 6 -6.328 -11.916 -8.826 1.00 72.41 C ATOM 67 C VAL A 6 -6.709 -10.658 -9.592 1.00 62.34 C ATOM 68 O VAL A 6 -5.976 -10.177 -10.461 1.00 10.00 O ATOM 69 CB VAL A 6 -4.983 -11.696 -8.104 1.00 3.32 C ATOM 70 CG1 VAL A 6 -5.066 -10.515 -7.156 1.00 44.21 C ATOM 71 CG2 VAL A 6 -4.574 -12.949 -7.356 1.00 64.55 C ATOM 0 H VAL A 6 -5.448 -13.670 -9.507 1.00 25.23 H new ATOM 0 HA VAL A 6 -7.114 -12.096 -8.092 1.00 72.41 H new ATOM 0 HB VAL A 6 -4.224 -11.476 -8.855 1.00 3.32 H new ATOM 0 HG11 VAL A 6 -4.106 -10.380 -6.658 1.00 44.21 H new ATOM 0 HG12 VAL A 6 -5.314 -9.614 -7.718 1.00 44.21 H new ATOM 0 HG13 VAL A 6 -5.838 -10.701 -6.410 1.00 44.21 H new ATOM 0 HG21 VAL A 6 -3.623 -12.778 -6.852 1.00 64.55 H new ATOM 0 HG22 VAL A 6 -5.337 -13.197 -6.618 1.00 64.55 H new ATOM 0 HG23 VAL A 6 -4.468 -13.775 -8.060 1.00 64.55 H new ATOM 81 N THR A 7 -7.873 -10.175 -9.286 1.00 61.23 N ATOM 82 CA THR A 7 -8.401 -8.967 -9.841 1.00 23.02 C ATOM 83 C THR A 7 -8.996 -8.174 -8.665 1.00 51.12 C ATOM 84 O THR A 7 -9.115 -8.721 -7.563 1.00 32.51 O ATOM 85 CB THR A 7 -9.485 -9.329 -10.901 1.00 4.44 C ATOM 86 OG1 THR A 7 -8.920 -10.270 -11.826 1.00 12.42 O ATOM 87 CG2 THR A 7 -9.943 -8.110 -11.686 1.00 41.11 C ATOM 0 H THR A 7 -8.502 -10.625 -8.621 1.00 61.23 H new ATOM 0 HA THR A 7 -7.641 -8.369 -10.344 1.00 23.02 H new ATOM 0 HB THR A 7 -10.346 -9.742 -10.376 1.00 4.44 H new ATOM 0 HG1 THR A 7 -8.803 -11.136 -11.382 1.00 12.42 H new ATOM 0 HG21 THR A 7 -10.698 -8.408 -12.413 1.00 41.11 H new ATOM 0 HG22 THR A 7 -10.368 -7.375 -11.002 1.00 41.11 H new ATOM 0 HG23 THR A 7 -9.092 -7.671 -12.206 1.00 41.11 H new ATOM 95 N LEU A 8 -9.324 -6.925 -8.850 1.00 71.40 N ATOM 96 CA LEU A 8 -9.884 -6.148 -7.775 1.00 72.43 C ATOM 97 C LEU A 8 -11.381 -6.207 -7.847 1.00 5.31 C ATOM 98 O LEU A 8 -11.946 -6.709 -8.821 1.00 61.32 O ATOM 99 CB LEU A 8 -9.463 -4.680 -7.876 1.00 14.12 C ATOM 100 CG LEU A 8 -7.973 -4.385 -7.909 1.00 71.20 C ATOM 101 CD1 LEU A 8 -7.747 -2.892 -7.927 1.00 54.30 C ATOM 102 CD2 LEU A 8 -7.276 -5.008 -6.726 1.00 72.13 C ATOM 0 H LEU A 8 -9.214 -6.423 -9.731 1.00 71.40 H new ATOM 0 HA LEU A 8 -9.519 -6.563 -6.835 1.00 72.43 H new ATOM 0 HB2 LEU A 8 -9.910 -4.262 -8.778 1.00 14.12 H new ATOM 0 HB3 LEU A 8 -9.894 -4.146 -7.029 1.00 14.12 H new ATOM 0 HG LEU A 8 -7.552 -4.820 -8.815 1.00 71.20 H new ATOM 0 HD11 LEU A 8 -6.677 -2.686 -7.951 1.00 54.30 H new ATOM 0 HD12 LEU A 8 -8.219 -2.463 -8.811 1.00 54.30 H new ATOM 0 HD13 LEU A 8 -8.182 -2.447 -7.032 1.00 54.30 H new ATOM 0 HD21 LEU A 8 -6.210 -4.783 -6.772 1.00 72.13 H new ATOM 0 HD22 LEU A 8 -7.693 -4.604 -5.804 1.00 72.13 H new ATOM 0 HD23 LEU A 8 -7.420 -6.088 -6.746 1.00 72.13 H new ATOM 114 N GLU A 9 -12.015 -5.744 -6.815 1.00 33.40 N ATOM 115 CA GLU A 9 -13.425 -5.557 -6.843 1.00 53.54 C ATOM 116 C GLU A 9 -13.691 -4.066 -6.793 1.00 54.31 C ATOM 117 O GLU A 9 -12.777 -3.282 -6.451 1.00 21.42 O ATOM 118 CB GLU A 9 -14.133 -6.280 -5.702 1.00 1.20 C ATOM 119 CG GLU A 9 -13.704 -5.868 -4.311 1.00 22.44 C ATOM 120 CD GLU A 9 -14.627 -6.417 -3.267 1.00 35.53 C ATOM 121 OE1 GLU A 9 -15.682 -5.816 -3.039 1.00 52.43 O ATOM 122 OE2 GLU A 9 -14.330 -7.446 -2.649 1.00 51.10 O ATOM 0 H GLU A 9 -11.569 -5.487 -5.935 1.00 33.40 H new ATOM 0 HA GLU A 9 -13.827 -5.990 -7.759 1.00 53.54 H new ATOM 0 HB2 GLU A 9 -15.206 -6.113 -5.798 1.00 1.20 H new ATOM 0 HB3 GLU A 9 -13.966 -7.351 -5.814 1.00 1.20 H new ATOM 0 HG2 GLU A 9 -12.690 -6.220 -4.123 1.00 22.44 H new ATOM 0 HG3 GLU A 9 -13.682 -4.780 -4.243 1.00 22.44 H new ATOM 129 N GLU A 10 -14.906 -3.673 -7.094 1.00 5.30 N ATOM 130 CA GLU A 10 -15.280 -2.273 -7.183 1.00 4.12 C ATOM 131 C GLU A 10 -15.024 -1.516 -5.868 1.00 55.30 C ATOM 132 O GLU A 10 -14.565 -0.380 -5.890 1.00 70.43 O ATOM 133 CB GLU A 10 -16.743 -2.148 -7.588 1.00 43.54 C ATOM 134 CG GLU A 10 -17.128 -0.754 -8.021 1.00 31.13 C ATOM 135 CD GLU A 10 -16.391 -0.333 -9.265 1.00 13.33 C ATOM 136 OE1 GLU A 10 -15.244 0.147 -9.177 1.00 11.22 O ATOM 137 OE2 GLU A 10 -16.928 -0.504 -10.369 1.00 64.00 O ATOM 0 H GLU A 10 -15.672 -4.318 -7.286 1.00 5.30 H new ATOM 0 HA GLU A 10 -14.650 -1.815 -7.946 1.00 4.12 H new ATOM 0 HB2 GLU A 10 -16.948 -2.843 -8.402 1.00 43.54 H new ATOM 0 HB3 GLU A 10 -17.371 -2.446 -6.749 1.00 43.54 H new ATOM 0 HG2 GLU A 10 -18.202 -0.713 -8.203 1.00 31.13 H new ATOM 0 HG3 GLU A 10 -16.914 -0.051 -7.216 1.00 31.13 H new ATOM 144 N SER A 11 -15.269 -2.181 -4.742 1.00 10.12 N ATOM 145 CA SER A 11 -15.105 -1.592 -3.408 1.00 1.23 C ATOM 146 C SER A 11 -13.686 -1.031 -3.212 1.00 21.20 C ATOM 147 O SER A 11 -13.492 0.034 -2.624 1.00 42.14 O ATOM 148 CB SER A 11 -15.369 -2.668 -2.370 1.00 4.11 C ATOM 149 OG SER A 11 -16.549 -3.404 -2.697 1.00 74.14 O ATOM 0 H SER A 11 -15.589 -3.149 -4.725 1.00 10.12 H new ATOM 0 HA SER A 11 -15.809 -0.767 -3.300 1.00 1.23 H new ATOM 0 HB2 SER A 11 -14.516 -3.344 -2.314 1.00 4.11 H new ATOM 0 HB3 SER A 11 -15.479 -2.212 -1.386 1.00 4.11 H new ATOM 0 HG SER A 11 -16.344 -4.362 -2.707 1.00 74.14 H new ATOM 155 N VAL A 12 -12.706 -1.740 -3.757 1.00 12.30 N ATOM 156 CA VAL A 12 -11.315 -1.346 -3.631 1.00 51.32 C ATOM 157 C VAL A 12 -11.047 -0.140 -4.511 1.00 14.53 C ATOM 158 O VAL A 12 -10.404 0.821 -4.096 1.00 14.44 O ATOM 159 CB VAL A 12 -10.367 -2.510 -4.038 1.00 54.04 C ATOM 160 CG1 VAL A 12 -8.902 -2.103 -3.928 1.00 73.25 C ATOM 161 CG2 VAL A 12 -10.635 -3.733 -3.183 1.00 54.25 C ATOM 0 H VAL A 12 -12.854 -2.595 -4.293 1.00 12.30 H new ATOM 0 HA VAL A 12 -11.122 -1.094 -2.588 1.00 51.32 H new ATOM 0 HB VAL A 12 -10.570 -2.752 -5.081 1.00 54.04 H new ATOM 0 HG11 VAL A 12 -8.269 -2.941 -4.220 1.00 73.25 H new ATOM 0 HG12 VAL A 12 -8.709 -1.256 -4.586 1.00 73.25 H new ATOM 0 HG13 VAL A 12 -8.679 -1.821 -2.899 1.00 73.25 H new ATOM 0 HG21 VAL A 12 -9.964 -4.539 -3.480 1.00 54.25 H new ATOM 0 HG22 VAL A 12 -10.466 -3.488 -2.134 1.00 54.25 H new ATOM 0 HG23 VAL A 12 -11.668 -4.053 -3.319 1.00 54.25 H new ATOM 171 N ARG A 13 -11.612 -0.174 -5.698 1.00 13.23 N ATOM 172 CA ARG A 13 -11.392 0.865 -6.690 1.00 34.12 C ATOM 173 C ARG A 13 -12.033 2.175 -6.271 1.00 23.33 C ATOM 174 O ARG A 13 -11.496 3.261 -6.551 1.00 40.45 O ATOM 175 CB ARG A 13 -11.906 0.432 -8.055 1.00 5.31 C ATOM 176 CG ARG A 13 -11.284 -0.852 -8.548 1.00 32.04 C ATOM 177 CD ARG A 13 -11.648 -1.138 -9.989 1.00 43.13 C ATOM 178 NE ARG A 13 -13.095 -1.274 -10.225 1.00 24.52 N ATOM 179 CZ ARG A 13 -13.617 -2.097 -11.140 1.00 30.35 C ATOM 180 NH1 ARG A 13 -12.854 -3.011 -11.719 1.00 72.45 N ATOM 181 NH2 ARG A 13 -14.906 -2.030 -11.444 1.00 23.43 N ATOM 0 H ARG A 13 -12.236 -0.920 -6.006 1.00 13.23 H new ATOM 0 HA ARG A 13 -10.316 1.026 -6.763 1.00 34.12 H new ATOM 0 HB2 ARG A 13 -12.988 0.308 -8.005 1.00 5.31 H new ATOM 0 HB3 ARG A 13 -11.709 1.224 -8.778 1.00 5.31 H new ATOM 0 HG2 ARG A 13 -10.200 -0.790 -8.453 1.00 32.04 H new ATOM 0 HG3 ARG A 13 -11.613 -1.680 -7.919 1.00 32.04 H new ATOM 0 HD2 ARG A 13 -11.262 -0.335 -10.617 1.00 43.13 H new ATOM 0 HD3 ARG A 13 -11.151 -2.056 -10.303 1.00 43.13 H new ATOM 0 HE ARG A 13 -13.732 -0.711 -9.661 1.00 24.52 H new ATOM 0 HH11 ARG A 13 -11.869 -3.087 -11.467 1.00 72.45 H new ATOM 0 HH12 ARG A 13 -13.252 -3.639 -12.417 1.00 72.45 H new ATOM 0 HH21 ARG A 13 -15.505 -1.348 -10.979 1.00 23.43 H new ATOM 0 HH22 ARG A 13 -15.299 -2.661 -12.143 1.00 23.43 H new ATOM 195 N GLY A 14 -13.168 2.073 -5.596 1.00 32.12 N ATOM 196 CA GLY A 14 -13.843 3.239 -5.088 1.00 0.23 C ATOM 197 C GLY A 14 -12.972 3.986 -4.109 1.00 51.13 C ATOM 198 O GLY A 14 -12.806 5.214 -4.211 1.00 5.43 O ATOM 0 H GLY A 14 -13.635 1.190 -5.391 1.00 32.12 H new ATOM 0 HA2 GLY A 14 -14.113 3.896 -5.915 1.00 0.23 H new ATOM 0 HA3 GLY A 14 -14.772 2.942 -4.601 1.00 0.23 H new ATOM 202 N ALA A 15 -12.376 3.243 -3.199 1.00 52.21 N ATOM 203 CA ALA A 15 -11.490 3.799 -2.204 1.00 2.23 C ATOM 204 C ALA A 15 -10.220 4.349 -2.858 1.00 51.24 C ATOM 205 O ALA A 15 -9.733 5.411 -2.481 1.00 54.13 O ATOM 206 CB ALA A 15 -11.160 2.750 -1.159 1.00 73.12 C ATOM 0 H ALA A 15 -12.495 2.232 -3.131 1.00 52.21 H new ATOM 0 HA ALA A 15 -11.992 4.630 -1.709 1.00 2.23 H new ATOM 0 HB1 ALA A 15 -10.491 3.178 -0.412 1.00 73.12 H new ATOM 0 HB2 ALA A 15 -12.078 2.417 -0.675 1.00 73.12 H new ATOM 0 HB3 ALA A 15 -10.673 1.900 -1.638 1.00 73.12 H new ATOM 212 N ILE A 16 -9.712 3.634 -3.858 1.00 51.34 N ATOM 213 CA ILE A 16 -8.530 4.066 -4.613 1.00 73.54 C ATOM 214 C ILE A 16 -8.771 5.416 -5.299 1.00 61.05 C ATOM 215 O ILE A 16 -7.902 6.297 -5.282 1.00 34.52 O ATOM 216 CB ILE A 16 -8.087 2.987 -5.667 1.00 14.22 C ATOM 217 CG1 ILE A 16 -7.517 1.736 -4.975 1.00 11.24 C ATOM 218 CG2 ILE A 16 -7.088 3.540 -6.692 1.00 30.11 C ATOM 219 CD1 ILE A 16 -6.279 1.996 -4.131 1.00 64.55 C ATOM 0 H ILE A 16 -10.102 2.744 -4.170 1.00 51.34 H new ATOM 0 HA ILE A 16 -7.719 4.185 -3.894 1.00 73.54 H new ATOM 0 HB ILE A 16 -8.985 2.703 -6.216 1.00 14.22 H new ATOM 0 HG12 ILE A 16 -8.290 1.302 -4.341 1.00 11.24 H new ATOM 0 HG13 ILE A 16 -7.275 0.993 -5.735 1.00 11.24 H new ATOM 0 HG21 ILE A 16 -6.816 2.753 -7.396 1.00 30.11 H new ATOM 0 HG22 ILE A 16 -7.543 4.369 -7.233 1.00 30.11 H new ATOM 0 HG23 ILE A 16 -6.194 3.891 -6.176 1.00 30.11 H new ATOM 0 HD11 ILE A 16 -5.943 1.062 -3.680 1.00 64.55 H new ATOM 0 HD12 ILE A 16 -5.487 2.400 -4.762 1.00 64.55 H new ATOM 0 HD13 ILE A 16 -6.518 2.713 -3.346 1.00 64.55 H new ATOM 231 N ASP A 17 -9.953 5.593 -5.859 1.00 3.33 N ATOM 232 CA ASP A 17 -10.267 6.825 -6.577 1.00 0.30 C ATOM 233 C ASP A 17 -10.470 7.982 -5.606 1.00 23.31 C ATOM 234 O ASP A 17 -10.056 9.111 -5.872 1.00 24.03 O ATOM 235 CB ASP A 17 -11.502 6.654 -7.475 1.00 44.31 C ATOM 236 CG ASP A 17 -11.710 7.841 -8.400 1.00 12.14 C ATOM 237 OD1 ASP A 17 -10.933 7.990 -9.372 1.00 54.21 O ATOM 238 OD2 ASP A 17 -12.629 8.647 -8.176 1.00 65.25 O ATOM 0 H ASP A 17 -10.709 4.909 -5.834 1.00 3.33 H new ATOM 0 HA ASP A 17 -9.416 7.056 -7.218 1.00 0.30 H new ATOM 0 HB2 ASP A 17 -11.393 5.747 -8.070 1.00 44.31 H new ATOM 0 HB3 ASP A 17 -12.386 6.522 -6.852 1.00 44.31 H new ATOM 243 N ASP A 18 -11.052 7.685 -4.454 1.00 51.44 N ATOM 244 CA ASP A 18 -11.311 8.715 -3.434 1.00 54.34 C ATOM 245 C ASP A 18 -10.013 9.141 -2.752 1.00 35.22 C ATOM 246 O ASP A 18 -9.849 10.302 -2.341 1.00 35.43 O ATOM 247 CB ASP A 18 -12.300 8.218 -2.387 1.00 51.54 C ATOM 248 CG ASP A 18 -12.732 9.322 -1.452 1.00 12.11 C ATOM 249 OD1 ASP A 18 -13.510 10.191 -1.878 1.00 24.24 O ATOM 250 OD2 ASP A 18 -12.305 9.331 -0.293 1.00 54.32 O ATOM 0 H ASP A 18 -11.356 6.747 -4.194 1.00 51.44 H new ATOM 0 HA ASP A 18 -11.745 9.576 -3.943 1.00 54.34 H new ATOM 0 HB2 ASP A 18 -13.175 7.800 -2.884 1.00 51.54 H new ATOM 0 HB3 ASP A 18 -11.845 7.412 -1.811 1.00 51.54 H new ATOM 255 N LEU A 19 -9.082 8.206 -2.652 1.00 45.35 N ATOM 256 CA LEU A 19 -7.778 8.466 -2.054 1.00 44.10 C ATOM 257 C LEU A 19 -7.007 9.430 -2.962 1.00 74.02 C ATOM 258 O LEU A 19 -6.302 10.292 -2.490 1.00 5.54 O ATOM 259 CB LEU A 19 -7.022 7.136 -1.850 1.00 55.31 C ATOM 260 CG LEU A 19 -5.901 7.070 -0.774 1.00 43.10 C ATOM 261 CD1 LEU A 19 -5.385 5.669 -0.683 1.00 35.12 C ATOM 262 CD2 LEU A 19 -4.741 8.007 -1.058 1.00 35.14 C ATOM 0 H LEU A 19 -9.206 7.248 -2.981 1.00 45.35 H new ATOM 0 HA LEU A 19 -7.889 8.929 -1.073 1.00 44.10 H new ATOM 0 HB2 LEU A 19 -7.759 6.371 -1.606 1.00 55.31 H new ATOM 0 HB3 LEU A 19 -6.579 6.858 -2.806 1.00 55.31 H new ATOM 0 HG LEU A 19 -6.348 7.389 0.168 1.00 43.10 H new ATOM 0 HD11 LEU A 19 -4.599 5.619 0.070 1.00 35.12 H new ATOM 0 HD12 LEU A 19 -6.198 4.999 -0.404 1.00 35.12 H new ATOM 0 HD13 LEU A 19 -4.981 5.366 -1.649 1.00 35.12 H new ATOM 0 HD21 LEU A 19 -3.995 7.911 -0.270 1.00 35.14 H new ATOM 0 HD22 LEU A 19 -4.291 7.749 -2.017 1.00 35.14 H new ATOM 0 HD23 LEU A 19 -5.103 9.035 -1.092 1.00 35.14 H new ATOM 274 N ARG A 20 -7.208 9.316 -4.275 1.00 74.21 N ATOM 275 CA ARG A 20 -6.587 10.249 -5.231 1.00 64.42 C ATOM 276 C ARG A 20 -7.099 11.678 -5.050 1.00 64.15 C ATOM 277 O ARG A 20 -6.445 12.635 -5.446 1.00 10.24 O ATOM 278 CB ARG A 20 -6.754 9.791 -6.684 1.00 65.15 C ATOM 279 CG ARG A 20 -5.849 8.636 -7.092 1.00 73.54 C ATOM 280 CD ARG A 20 -6.025 8.258 -8.564 1.00 60.44 C ATOM 281 NE ARG A 20 -5.850 9.415 -9.474 1.00 12.21 N ATOM 282 CZ ARG A 20 -5.148 9.420 -10.628 1.00 3.31 C ATOM 283 NH1 ARG A 20 -4.360 8.402 -10.950 1.00 52.53 N ATOM 284 NH2 ARG A 20 -5.206 10.478 -11.428 1.00 34.12 N ATOM 0 H ARG A 20 -7.789 8.596 -4.703 1.00 74.21 H new ATOM 0 HA ARG A 20 -5.520 10.246 -5.008 1.00 64.42 H new ATOM 0 HB2 ARG A 20 -7.791 9.496 -6.841 1.00 65.15 H new ATOM 0 HB3 ARG A 20 -6.560 10.638 -7.343 1.00 65.15 H new ATOM 0 HG2 ARG A 20 -4.810 8.909 -6.910 1.00 73.54 H new ATOM 0 HG3 ARG A 20 -6.065 7.769 -6.467 1.00 73.54 H new ATOM 0 HD2 ARG A 20 -5.304 7.483 -8.825 1.00 60.44 H new ATOM 0 HD3 ARG A 20 -7.018 7.832 -8.710 1.00 60.44 H new ATOM 0 HE ARG A 20 -6.302 10.289 -9.204 1.00 12.21 H new ATOM 0 HH11 ARG A 20 -4.278 7.602 -10.323 1.00 52.53 H new ATOM 0 HH12 ARG A 20 -3.836 8.420 -11.825 1.00 52.53 H new ATOM 0 HH21 ARG A 20 -5.779 11.282 -11.170 1.00 34.12 H new ATOM 0 HH22 ARG A 20 -4.678 10.487 -12.301 1.00 34.12 H new ATOM 298 N MET A 21 -8.246 11.812 -4.414 1.00 33.40 N ATOM 299 CA MET A 21 -8.826 13.120 -4.132 1.00 14.13 C ATOM 300 C MET A 21 -8.388 13.581 -2.749 1.00 14.12 C ATOM 301 O MET A 21 -8.667 14.708 -2.337 1.00 61.25 O ATOM 302 CB MET A 21 -10.352 13.055 -4.177 1.00 72.23 C ATOM 303 CG MET A 21 -10.919 12.621 -5.508 1.00 12.33 C ATOM 304 SD MET A 21 -12.712 12.552 -5.499 1.00 32.11 S ATOM 305 CE MET A 21 -13.005 12.034 -7.184 1.00 74.54 C ATOM 0 H MET A 21 -8.803 11.026 -4.078 1.00 33.40 H new ATOM 0 HA MET A 21 -8.480 13.823 -4.890 1.00 14.13 H new ATOM 0 HB2 MET A 21 -10.697 12.365 -3.407 1.00 72.23 H new ATOM 0 HB3 MET A 21 -10.753 14.038 -3.928 1.00 72.23 H new ATOM 0 HG2 MET A 21 -10.589 13.312 -6.283 1.00 12.33 H new ATOM 0 HG3 MET A 21 -10.522 11.639 -5.766 1.00 12.33 H new ATOM 0 HE1 MET A 21 -14.077 11.923 -7.349 1.00 74.54 H new ATOM 0 HE2 MET A 21 -12.608 12.783 -7.869 1.00 74.54 H new ATOM 0 HE3 MET A 21 -12.509 11.080 -7.363 1.00 74.54 H new ATOM 315 N LYS A 22 -7.704 12.685 -2.051 1.00 74.10 N ATOM 316 CA LYS A 22 -7.219 12.872 -0.689 1.00 31.21 C ATOM 317 C LYS A 22 -8.301 13.036 0.339 1.00 42.11 C ATOM 318 O LYS A 22 -8.093 13.643 1.400 1.00 53.14 O ATOM 319 CB LYS A 22 -6.109 13.912 -0.556 1.00 11.53 C ATOM 320 CG LYS A 22 -4.746 13.259 -0.419 1.00 72.03 C ATOM 321 CD LYS A 22 -4.338 12.503 -1.672 1.00 62.51 C ATOM 322 CE LYS A 22 -3.694 13.409 -2.690 1.00 53.25 C ATOM 323 NZ LYS A 22 -2.431 13.965 -2.165 1.00 73.53 N ATOM 0 H LYS A 22 -7.462 11.771 -2.433 1.00 74.10 H new ATOM 0 HA LYS A 22 -6.748 11.917 -0.455 1.00 31.21 H new ATOM 0 HB2 LYS A 22 -6.114 14.565 -1.429 1.00 11.53 H new ATOM 0 HB3 LYS A 22 -6.301 14.541 0.313 1.00 11.53 H new ATOM 0 HG2 LYS A 22 -4.000 14.023 -0.200 1.00 72.03 H new ATOM 0 HG3 LYS A 22 -4.758 12.573 0.428 1.00 72.03 H new ATOM 0 HD2 LYS A 22 -3.644 11.706 -1.405 1.00 62.51 H new ATOM 0 HD3 LYS A 22 -5.215 12.029 -2.112 1.00 62.51 H new ATOM 0 HE2 LYS A 22 -3.500 12.854 -3.608 1.00 53.25 H new ATOM 0 HE3 LYS A 22 -4.376 14.220 -2.946 1.00 53.25 H new ATOM 0 HZ1 LYS A 22 -1.835 14.280 -2.957 1.00 73.53 H new ATOM 0 HZ2 LYS A 22 -2.639 14.774 -1.545 1.00 73.53 H new ATOM 0 HZ3 LYS A 22 -1.928 13.233 -1.623 1.00 73.53 H new ATOM 337 N LYS A 23 -9.441 12.467 0.054 1.00 23.55 N ATOM 338 CA LYS A 23 -10.480 12.394 1.034 1.00 25.41 C ATOM 339 C LYS A 23 -10.173 11.152 1.855 1.00 70.03 C ATOM 340 O LYS A 23 -10.178 11.172 3.091 1.00 23.44 O ATOM 341 CB LYS A 23 -11.849 12.334 0.375 1.00 22.41 C ATOM 342 CG LYS A 23 -12.143 13.523 -0.523 1.00 74.24 C ATOM 343 CD LYS A 23 -13.509 13.403 -1.164 1.00 41.34 C ATOM 344 CE LYS A 23 -13.805 14.578 -2.073 1.00 52.02 C ATOM 345 NZ LYS A 23 -13.789 15.869 -1.354 1.00 31.32 N ATOM 0 H LYS A 23 -9.670 12.049 -0.848 1.00 23.55 H new ATOM 0 HA LYS A 23 -10.511 13.279 1.670 1.00 25.41 H new ATOM 0 HB2 LYS A 23 -11.921 11.419 -0.213 1.00 22.41 H new ATOM 0 HB3 LYS A 23 -12.614 12.276 1.149 1.00 22.41 H new ATOM 0 HG2 LYS A 23 -12.092 14.443 0.059 1.00 74.24 H new ATOM 0 HG3 LYS A 23 -11.380 13.594 -1.298 1.00 74.24 H new ATOM 0 HD2 LYS A 23 -13.562 12.477 -1.737 1.00 41.34 H new ATOM 0 HD3 LYS A 23 -14.272 13.342 -0.388 1.00 41.34 H new ATOM 0 HE2 LYS A 23 -13.070 14.605 -2.877 1.00 52.02 H new ATOM 0 HE3 LYS A 23 -14.781 14.437 -2.538 1.00 52.02 H new ATOM 0 HZ1 LYS A 23 -14.192 16.610 -1.962 1.00 31.32 H new ATOM 0 HZ2 LYS A 23 -14.355 15.789 -0.485 1.00 31.32 H new ATOM 0 HZ3 LYS A 23 -12.809 16.117 -1.108 1.00 31.32 H new ATOM 359 N SER A 24 -9.854 10.087 1.163 1.00 64.13 N ATOM 360 CA SER A 24 -9.294 8.943 1.796 1.00 13.05 C ATOM 361 C SER A 24 -7.780 9.174 1.873 1.00 2.41 C ATOM 362 O SER A 24 -7.193 9.788 0.980 1.00 53.10 O ATOM 363 CB SER A 24 -9.621 7.667 1.010 1.00 54.24 C ATOM 364 OG SER A 24 -11.028 7.475 0.912 1.00 34.10 O ATOM 0 H SER A 24 -9.978 9.999 0.154 1.00 64.13 H new ATOM 0 HA SER A 24 -9.712 8.808 2.793 1.00 13.05 H new ATOM 0 HB2 SER A 24 -9.188 7.730 0.011 1.00 54.24 H new ATOM 0 HB3 SER A 24 -9.166 6.807 1.501 1.00 54.24 H new ATOM 0 HG SER A 24 -11.397 8.092 0.246 1.00 34.10 H new ATOM 370 N ARG A 25 -7.180 8.744 2.938 1.00 0.25 N ATOM 371 CA ARG A 25 -5.742 8.936 3.161 1.00 61.10 C ATOM 372 C ARG A 25 -5.058 7.592 3.232 1.00 41.10 C ATOM 373 O ARG A 25 -3.903 7.441 2.828 1.00 31.33 O ATOM 374 CB ARG A 25 -5.552 9.719 4.470 1.00 42.43 C ATOM 375 CG ARG A 25 -4.128 9.844 5.031 1.00 24.15 C ATOM 376 CD ARG A 25 -3.187 10.693 4.186 1.00 31.05 C ATOM 377 NE ARG A 25 -1.944 10.931 4.934 1.00 23.11 N ATOM 378 CZ ARG A 25 -0.964 11.800 4.628 1.00 1.44 C ATOM 379 NH1 ARG A 25 -0.950 12.456 3.493 1.00 44.50 N ATOM 380 NH2 ARG A 25 0.041 11.977 5.480 1.00 4.31 N ATOM 0 H ARG A 25 -7.655 8.247 3.691 1.00 0.25 H new ATOM 0 HA ARG A 25 -5.299 9.499 2.340 1.00 61.10 H new ATOM 0 HB2 ARG A 25 -5.941 10.726 4.317 1.00 42.43 H new ATOM 0 HB3 ARG A 25 -6.173 9.250 5.234 1.00 42.43 H new ATOM 0 HG2 ARG A 25 -4.182 10.272 6.032 1.00 24.15 H new ATOM 0 HG3 ARG A 25 -3.703 8.846 5.133 1.00 24.15 H new ATOM 0 HD2 ARG A 25 -2.968 10.187 3.246 1.00 31.05 H new ATOM 0 HD3 ARG A 25 -3.661 11.642 3.935 1.00 31.05 H new ATOM 0 HE ARG A 25 -1.810 10.375 5.779 1.00 23.11 H new ATOM 0 HH11 ARG A 25 -1.697 12.314 2.813 1.00 44.50 H new ATOM 0 HH12 ARG A 25 -0.193 13.108 3.290 1.00 44.50 H new ATOM 0 HH21 ARG A 25 0.064 11.456 6.357 1.00 4.31 H new ATOM 0 HH22 ARG A 25 0.789 12.634 5.257 1.00 4.31 H new ATOM 394 N TYR A 26 -5.787 6.629 3.733 1.00 40.25 N ATOM 395 CA TYR A 26 -5.310 5.290 3.889 1.00 62.31 C ATOM 396 C TYR A 26 -6.414 4.351 3.493 1.00 71.20 C ATOM 397 O TYR A 26 -7.578 4.658 3.693 1.00 24.11 O ATOM 398 CB TYR A 26 -4.934 5.073 5.376 1.00 14.53 C ATOM 399 CG TYR A 26 -4.624 3.638 5.806 1.00 20.31 C ATOM 400 CD1 TYR A 26 -3.488 2.968 5.362 1.00 64.33 C ATOM 401 CD2 TYR A 26 -5.469 2.972 6.695 1.00 24.12 C ATOM 402 CE1 TYR A 26 -3.210 1.676 5.793 1.00 54.05 C ATOM 403 CE2 TYR A 26 -5.197 1.685 7.121 1.00 14.02 C ATOM 404 CZ TYR A 26 -4.067 1.043 6.671 1.00 44.42 C ATOM 405 OH TYR A 26 -3.776 -0.235 7.114 1.00 13.33 O ATOM 0 H TYR A 26 -6.748 6.762 4.049 1.00 40.25 H new ATOM 0 HA TYR A 26 -4.434 5.108 3.266 1.00 62.31 H new ATOM 0 HB2 TYR A 26 -4.064 5.690 5.600 1.00 14.53 H new ATOM 0 HB3 TYR A 26 -5.754 5.443 5.991 1.00 14.53 H new ATOM 0 HD1 TYR A 26 -2.814 3.458 4.674 1.00 64.33 H new ATOM 0 HD2 TYR A 26 -6.354 3.473 7.058 1.00 24.12 H new ATOM 0 HE1 TYR A 26 -2.324 1.168 5.441 1.00 54.05 H new ATOM 0 HE2 TYR A 26 -5.869 1.186 7.804 1.00 14.02 H new ATOM 0 HH TYR A 26 -4.578 -0.634 7.511 1.00 13.33 H new ATOM 415 N VAL A 27 -6.058 3.249 2.910 1.00 55.33 N ATOM 416 CA VAL A 27 -6.979 2.181 2.611 1.00 73.50 C ATOM 417 C VAL A 27 -6.218 0.894 2.830 1.00 24.42 C ATOM 418 O VAL A 27 -5.032 0.803 2.475 1.00 5.34 O ATOM 419 CB VAL A 27 -7.529 2.198 1.136 1.00 3.41 C ATOM 420 CG1 VAL A 27 -8.597 1.126 0.958 1.00 33.23 C ATOM 421 CG2 VAL A 27 -8.097 3.552 0.741 1.00 41.33 C ATOM 0 H VAL A 27 -5.099 3.056 2.620 1.00 55.33 H new ATOM 0 HA VAL A 27 -7.852 2.291 3.254 1.00 73.50 H new ATOM 0 HB VAL A 27 -6.682 1.992 0.482 1.00 3.41 H new ATOM 0 HG11 VAL A 27 -8.969 1.149 -0.066 1.00 33.23 H new ATOM 0 HG12 VAL A 27 -8.167 0.146 1.166 1.00 33.23 H new ATOM 0 HG13 VAL A 27 -9.420 1.315 1.647 1.00 33.23 H new ATOM 0 HG21 VAL A 27 -8.462 3.508 -0.285 1.00 41.33 H new ATOM 0 HG22 VAL A 27 -8.919 3.810 1.408 1.00 41.33 H new ATOM 0 HG23 VAL A 27 -7.317 4.310 0.816 1.00 41.33 H new ATOM 431 N MET A 28 -6.850 -0.054 3.443 1.00 72.42 N ATOM 432 CA MET A 28 -6.240 -1.328 3.701 1.00 55.31 C ATOM 433 C MET A 28 -7.038 -2.378 2.980 1.00 41.34 C ATOM 434 O MET A 28 -8.279 -2.335 2.997 1.00 60.44 O ATOM 435 CB MET A 28 -6.226 -1.612 5.204 1.00 33.01 C ATOM 436 CG MET A 28 -5.529 -2.906 5.597 1.00 52.44 C ATOM 437 SD MET A 28 -5.522 -3.163 7.383 1.00 5.21 S ATOM 438 CE MET A 28 -4.612 -4.703 7.486 1.00 61.20 C ATOM 0 H MET A 28 -7.808 0.029 3.782 1.00 72.42 H new ATOM 0 HA MET A 28 -5.208 -1.331 3.349 1.00 55.31 H new ATOM 0 HB2 MET A 28 -5.736 -0.782 5.713 1.00 33.01 H new ATOM 0 HB3 MET A 28 -7.254 -1.645 5.564 1.00 33.01 H new ATOM 0 HG2 MET A 28 -6.027 -3.746 5.113 1.00 52.44 H new ATOM 0 HG3 MET A 28 -4.503 -2.889 5.230 1.00 52.44 H new ATOM 0 HE1 MET A 28 -4.519 -5.002 8.530 1.00 61.20 H new ATOM 0 HE2 MET A 28 -5.143 -5.477 6.933 1.00 61.20 H new ATOM 0 HE3 MET A 28 -3.619 -4.568 7.058 1.00 61.20 H new ATOM 448 N MET A 29 -6.364 -3.276 2.322 1.00 21.42 N ATOM 449 CA MET A 29 -7.024 -4.335 1.605 1.00 22.52 C ATOM 450 C MET A 29 -6.488 -5.660 2.092 1.00 10.02 C ATOM 451 O MET A 29 -5.531 -5.703 2.876 1.00 12.34 O ATOM 452 CB MET A 29 -6.793 -4.263 0.075 1.00 14.10 C ATOM 453 CG MET A 29 -7.144 -2.966 -0.633 1.00 53.20 C ATOM 454 SD MET A 29 -5.956 -1.643 -0.327 1.00 50.03 S ATOM 455 CE MET A 29 -6.555 -0.413 -1.468 1.00 3.21 C ATOM 0 H MET A 29 -5.346 -3.298 2.265 1.00 21.42 H new ATOM 0 HA MET A 29 -8.093 -4.229 1.790 1.00 22.52 H new ATOM 0 HB2 MET A 29 -5.741 -4.475 -0.115 1.00 14.10 H new ATOM 0 HB3 MET A 29 -7.368 -5.064 -0.389 1.00 14.10 H new ATOM 0 HG2 MET A 29 -7.204 -3.150 -1.706 1.00 53.20 H new ATOM 0 HG3 MET A 29 -8.132 -2.639 -0.310 1.00 53.20 H new ATOM 0 HE1 MET A 29 -6.112 0.553 -1.227 1.00 3.21 H new ATOM 0 HE2 MET A 29 -6.280 -0.695 -2.484 1.00 3.21 H new ATOM 0 HE3 MET A 29 -7.640 -0.344 -1.392 1.00 3.21 H new ATOM 465 N CYS A 30 -7.117 -6.711 1.659 1.00 40.13 N ATOM 466 CA CYS A 30 -6.703 -8.065 1.915 1.00 2.13 C ATOM 467 C CYS A 30 -7.096 -8.881 0.707 1.00 62.42 C ATOM 468 O CYS A 30 -7.934 -8.446 -0.078 1.00 14.20 O ATOM 469 CB CYS A 30 -7.357 -8.619 3.184 1.00 71.31 C ATOM 470 SG CYS A 30 -6.892 -7.747 4.700 1.00 61.15 S ATOM 0 H CYS A 30 -7.965 -6.651 1.096 1.00 40.13 H new ATOM 0 HA CYS A 30 -5.626 -8.108 2.080 1.00 2.13 H new ATOM 0 HB2 CYS A 30 -8.440 -8.574 3.070 1.00 71.31 H new ATOM 0 HB3 CYS A 30 -7.091 -9.671 3.287 1.00 71.31 H new ATOM 0 HG CYS A 30 -6.194 -6.693 4.398 1.00 61.15 H new ATOM 476 N ILE A 31 -6.518 -10.017 0.531 1.00 4.53 N ATOM 477 CA ILE A 31 -6.808 -10.803 -0.638 1.00 63.23 C ATOM 478 C ILE A 31 -7.605 -12.013 -0.222 1.00 33.13 C ATOM 479 O ILE A 31 -7.433 -12.520 0.899 1.00 21.20 O ATOM 480 CB ILE A 31 -5.500 -11.257 -1.368 1.00 52.44 C ATOM 481 CG1 ILE A 31 -4.605 -10.048 -1.652 1.00 1.23 C ATOM 482 CG2 ILE A 31 -5.827 -11.979 -2.683 1.00 52.51 C ATOM 483 CD1 ILE A 31 -3.293 -10.390 -2.324 1.00 43.25 C ATOM 0 H ILE A 31 -5.842 -10.430 1.174 1.00 4.53 H new ATOM 0 HA ILE A 31 -7.378 -10.190 -1.336 1.00 63.23 H new ATOM 0 HB ILE A 31 -4.972 -11.950 -0.713 1.00 52.44 H new ATOM 0 HG12 ILE A 31 -5.151 -9.346 -2.283 1.00 1.23 H new ATOM 0 HG13 ILE A 31 -4.396 -9.536 -0.713 1.00 1.23 H new ATOM 0 HG21 ILE A 31 -4.901 -12.284 -3.171 1.00 52.51 H new ATOM 0 HG22 ILE A 31 -6.434 -12.860 -2.473 1.00 52.51 H new ATOM 0 HG23 ILE A 31 -6.378 -11.306 -3.340 1.00 52.51 H new ATOM 0 HD11 ILE A 31 -2.720 -9.478 -2.489 1.00 43.25 H new ATOM 0 HD12 ILE A 31 -2.723 -11.066 -1.687 1.00 43.25 H new ATOM 0 HD13 ILE A 31 -3.490 -10.873 -3.281 1.00 43.25 H new ATOM 495 N GLY A 32 -8.519 -12.430 -1.074 1.00 60.45 N ATOM 496 CA GLY A 32 -9.219 -13.647 -0.831 1.00 12.33 C ATOM 497 C GLY A 32 -8.251 -14.798 -0.945 1.00 23.11 C ATOM 498 O GLY A 32 -7.444 -14.831 -1.881 1.00 14.45 O ATOM 0 H GLY A 32 -8.783 -11.941 -1.929 1.00 60.45 H new ATOM 0 HA2 GLY A 32 -9.670 -13.631 0.161 1.00 12.33 H new ATOM 0 HA3 GLY A 32 -10.031 -13.765 -1.549 1.00 12.33 H new ATOM 502 N ALA A 33 -8.323 -15.726 -0.014 1.00 4.53 N ATOM 503 CA ALA A 33 -7.401 -16.865 0.084 1.00 41.00 C ATOM 504 C ALA A 33 -7.373 -17.719 -1.186 1.00 45.35 C ATOM 505 O ALA A 33 -6.418 -18.447 -1.439 1.00 22.44 O ATOM 506 CB ALA A 33 -7.768 -17.723 1.283 1.00 2.33 C ATOM 0 H ALA A 33 -9.035 -15.720 0.716 1.00 4.53 H new ATOM 0 HA ALA A 33 -6.399 -16.456 0.210 1.00 41.00 H new ATOM 0 HB1 ALA A 33 -7.081 -18.566 1.351 1.00 2.33 H new ATOM 0 HB2 ALA A 33 -7.700 -17.126 2.192 1.00 2.33 H new ATOM 0 HB3 ALA A 33 -8.787 -18.093 1.167 1.00 2.33 H new ATOM 512 N ASP A 34 -8.404 -17.630 -1.974 1.00 64.24 N ATOM 513 CA ASP A 34 -8.489 -18.399 -3.199 1.00 4.23 C ATOM 514 C ASP A 34 -7.760 -17.696 -4.352 1.00 4.55 C ATOM 515 O ASP A 34 -7.406 -18.315 -5.361 1.00 72.24 O ATOM 516 CB ASP A 34 -9.941 -18.627 -3.549 1.00 61.44 C ATOM 517 CG ASP A 34 -10.107 -19.532 -4.720 1.00 64.01 C ATOM 518 OD1 ASP A 34 -9.636 -20.687 -4.634 1.00 42.14 O ATOM 519 OD2 ASP A 34 -10.734 -19.130 -5.716 1.00 32.12 O ATOM 0 H ASP A 34 -9.209 -17.029 -1.795 1.00 64.24 H new ATOM 0 HA ASP A 34 -7.999 -19.360 -3.041 1.00 4.23 H new ATOM 0 HB2 ASP A 34 -10.457 -19.053 -2.688 1.00 61.44 H new ATOM 0 HB3 ASP A 34 -10.415 -17.669 -3.763 1.00 61.44 H new ATOM 524 N GLY A 35 -7.467 -16.423 -4.158 1.00 5.35 N ATOM 525 CA GLY A 35 -6.805 -15.645 -5.181 1.00 4.34 C ATOM 526 C GLY A 35 -7.774 -15.168 -6.235 1.00 65.43 C ATOM 527 O GLY A 35 -7.406 -14.976 -7.394 1.00 42.02 O ATOM 0 H GLY A 35 -7.678 -15.910 -3.302 1.00 5.35 H new ATOM 0 HA2 GLY A 35 -6.313 -14.786 -4.724 1.00 4.34 H new ATOM 0 HA3 GLY A 35 -6.026 -16.247 -5.649 1.00 4.34 H new ATOM 531 N LYS A 36 -9.013 -14.982 -5.834 1.00 44.12 N ATOM 532 CA LYS A 36 -10.052 -14.537 -6.742 1.00 54.11 C ATOM 533 C LYS A 36 -9.939 -13.029 -6.878 1.00 14.04 C ATOM 534 O LYS A 36 -9.651 -12.496 -7.957 1.00 4.03 O ATOM 535 CB LYS A 36 -11.432 -14.932 -6.154 1.00 62.41 C ATOM 536 CG LYS A 36 -12.669 -15.033 -7.104 1.00 75.15 C ATOM 537 CD LYS A 36 -13.131 -13.728 -7.779 1.00 23.00 C ATOM 538 CE LYS A 36 -12.407 -13.459 -9.094 1.00 73.53 C ATOM 539 NZ LYS A 36 -12.964 -12.287 -9.810 1.00 41.13 N ATOM 0 H LYS A 36 -9.329 -15.133 -4.876 1.00 44.12 H new ATOM 0 HA LYS A 36 -9.946 -15.000 -7.723 1.00 54.11 H new ATOM 0 HB2 LYS A 36 -11.315 -15.899 -5.665 1.00 62.41 H new ATOM 0 HB3 LYS A 36 -11.675 -14.209 -5.376 1.00 62.41 H new ATOM 0 HG2 LYS A 36 -12.440 -15.758 -7.885 1.00 75.15 H new ATOM 0 HG3 LYS A 36 -13.505 -15.435 -6.532 1.00 75.15 H new ATOM 0 HD2 LYS A 36 -14.204 -13.779 -7.963 1.00 23.00 H new ATOM 0 HD3 LYS A 36 -12.964 -12.893 -7.099 1.00 23.00 H new ATOM 0 HE2 LYS A 36 -11.348 -13.292 -8.896 1.00 73.53 H new ATOM 0 HE3 LYS A 36 -12.477 -14.340 -9.732 1.00 73.53 H new ATOM 0 HZ1 LYS A 36 -12.442 -12.142 -10.697 1.00 41.13 H new ATOM 0 HZ2 LYS A 36 -13.968 -12.455 -10.023 1.00 41.13 H new ATOM 0 HZ3 LYS A 36 -12.874 -11.440 -9.213 1.00 41.13 H new ATOM 553 N LYS A 37 -10.117 -12.343 -5.787 1.00 42.43 N ATOM 554 CA LYS A 37 -10.115 -10.918 -5.818 1.00 72.30 C ATOM 555 C LYS A 37 -9.481 -10.346 -4.580 1.00 12.25 C ATOM 556 O LYS A 37 -9.342 -11.038 -3.555 1.00 15.42 O ATOM 557 CB LYS A 37 -11.553 -10.379 -5.969 1.00 4.12 C ATOM 558 CG LYS A 37 -12.494 -10.784 -4.844 1.00 21.33 C ATOM 559 CD LYS A 37 -13.885 -10.224 -5.055 1.00 55.33 C ATOM 560 CE LYS A 37 -14.833 -10.630 -3.934 1.00 4.12 C ATOM 561 NZ LYS A 37 -14.416 -10.100 -2.618 1.00 12.14 N ATOM 0 H LYS A 37 -10.265 -12.753 -4.865 1.00 42.43 H new ATOM 0 HA LYS A 37 -9.525 -10.606 -6.680 1.00 72.30 H new ATOM 0 HB2 LYS A 37 -11.517 -9.291 -6.023 1.00 4.12 H new ATOM 0 HB3 LYS A 37 -11.963 -10.732 -6.915 1.00 4.12 H new ATOM 0 HG2 LYS A 37 -12.544 -11.871 -4.784 1.00 21.33 H new ATOM 0 HG3 LYS A 37 -12.099 -10.430 -3.892 1.00 21.33 H new ATOM 0 HD2 LYS A 37 -13.834 -9.137 -5.113 1.00 55.33 H new ATOM 0 HD3 LYS A 37 -14.278 -10.576 -6.009 1.00 55.33 H new ATOM 0 HE2 LYS A 37 -15.837 -10.272 -4.164 1.00 4.12 H new ATOM 0 HE3 LYS A 37 -14.886 -11.718 -3.884 1.00 4.12 H new ATOM 0 HZ1 LYS A 37 -15.237 -10.071 -1.980 1.00 12.14 H new ATOM 0 HZ2 LYS A 37 -13.683 -10.716 -2.212 1.00 12.14 H new ATOM 0 HZ3 LYS A 37 -14.034 -9.140 -2.736 1.00 12.14 H new ATOM 575 N ILE A 38 -9.067 -9.120 -4.690 1.00 40.15 N ATOM 576 CA ILE A 38 -8.575 -8.378 -3.571 1.00 52.21 C ATOM 577 C ILE A 38 -9.750 -7.596 -3.039 1.00 40.42 C ATOM 578 O ILE A 38 -10.474 -6.957 -3.814 1.00 63.15 O ATOM 579 CB ILE A 38 -7.435 -7.400 -3.969 1.00 51.00 C ATOM 580 CG1 ILE A 38 -6.304 -8.160 -4.686 1.00 0.53 C ATOM 581 CG2 ILE A 38 -6.904 -6.660 -2.740 1.00 71.34 C ATOM 582 CD1 ILE A 38 -5.101 -7.311 -5.070 1.00 34.13 C ATOM 0 H ILE A 38 -9.062 -8.602 -5.569 1.00 40.15 H new ATOM 0 HA ILE A 38 -8.154 -9.058 -2.830 1.00 52.21 H new ATOM 0 HB ILE A 38 -7.839 -6.658 -4.658 1.00 51.00 H new ATOM 0 HG12 ILE A 38 -5.966 -8.971 -4.041 1.00 0.53 H new ATOM 0 HG13 ILE A 38 -6.709 -8.618 -5.588 1.00 0.53 H new ATOM 0 HG21 ILE A 38 -6.107 -5.980 -3.041 1.00 71.34 H new ATOM 0 HG22 ILE A 38 -7.712 -6.091 -2.281 1.00 71.34 H new ATOM 0 HG23 ILE A 38 -6.514 -7.381 -2.021 1.00 71.34 H new ATOM 0 HD11 ILE A 38 -4.360 -7.935 -5.569 1.00 34.13 H new ATOM 0 HD12 ILE A 38 -5.418 -6.515 -5.744 1.00 34.13 H new ATOM 0 HD13 ILE A 38 -4.663 -6.874 -4.173 1.00 34.13 H new ATOM 594 N GLU A 39 -9.946 -7.654 -1.766 1.00 14.04 N ATOM 595 CA GLU A 39 -11.063 -7.033 -1.135 1.00 41.23 C ATOM 596 C GLU A 39 -10.599 -5.968 -0.157 1.00 12.24 C ATOM 597 O GLU A 39 -9.447 -5.958 0.261 1.00 70.20 O ATOM 598 CB GLU A 39 -11.929 -8.087 -0.454 1.00 14.51 C ATOM 599 CG GLU A 39 -11.168 -9.043 0.445 1.00 74.54 C ATOM 600 CD GLU A 39 -12.083 -9.994 1.146 1.00 23.45 C ATOM 601 OE1 GLU A 39 -12.622 -9.624 2.216 1.00 73.34 O ATOM 602 OE2 GLU A 39 -12.316 -11.119 0.636 1.00 45.53 O ATOM 0 H GLU A 39 -9.324 -8.143 -1.122 1.00 14.04 H new ATOM 0 HA GLU A 39 -11.671 -6.536 -1.891 1.00 41.23 H new ATOM 0 HB2 GLU A 39 -12.694 -7.584 0.137 1.00 14.51 H new ATOM 0 HB3 GLU A 39 -12.447 -8.664 -1.220 1.00 14.51 H new ATOM 0 HG2 GLU A 39 -10.447 -9.604 -0.149 1.00 74.54 H new ATOM 0 HG3 GLU A 39 -10.601 -8.475 1.182 1.00 74.54 H new ATOM 609 N VAL A 40 -11.482 -5.079 0.188 1.00 12.23 N ATOM 610 CA VAL A 40 -11.147 -3.980 1.071 1.00 42.25 C ATOM 611 C VAL A 40 -11.352 -4.382 2.543 1.00 70.34 C ATOM 612 O VAL A 40 -12.259 -5.164 2.871 1.00 44.23 O ATOM 613 CB VAL A 40 -11.964 -2.686 0.715 1.00 21.01 C ATOM 614 CG1 VAL A 40 -13.463 -2.876 0.920 1.00 61.41 C ATOM 615 CG2 VAL A 40 -11.456 -1.464 1.476 1.00 61.45 C ATOM 0 H VAL A 40 -12.452 -5.086 -0.128 1.00 12.23 H new ATOM 0 HA VAL A 40 -10.092 -3.746 0.928 1.00 42.25 H new ATOM 0 HB VAL A 40 -11.803 -2.503 -0.347 1.00 21.01 H new ATOM 0 HG11 VAL A 40 -13.985 -1.955 0.661 1.00 61.41 H new ATOM 0 HG12 VAL A 40 -13.818 -3.686 0.282 1.00 61.41 H new ATOM 0 HG13 VAL A 40 -13.659 -3.123 1.963 1.00 61.41 H new ATOM 0 HG21 VAL A 40 -12.048 -0.592 1.200 1.00 61.45 H new ATOM 0 HG22 VAL A 40 -11.546 -1.640 2.548 1.00 61.45 H new ATOM 0 HG23 VAL A 40 -10.410 -1.287 1.224 1.00 61.45 H new ATOM 625 N THR A 41 -10.487 -3.910 3.396 1.00 34.00 N ATOM 626 CA THR A 41 -10.587 -4.160 4.808 1.00 71.41 C ATOM 627 C THR A 41 -11.269 -2.958 5.467 1.00 74.52 C ATOM 628 O THR A 41 -12.283 -3.102 6.159 1.00 51.30 O ATOM 629 CB THR A 41 -9.173 -4.322 5.393 1.00 4.33 C ATOM 630 OG1 THR A 41 -8.419 -5.169 4.530 1.00 34.33 O ATOM 631 CG2 THR A 41 -9.214 -4.941 6.781 1.00 63.15 C ATOM 0 H THR A 41 -9.686 -3.337 3.130 1.00 34.00 H new ATOM 0 HA THR A 41 -11.164 -5.067 4.990 1.00 71.41 H new ATOM 0 HB THR A 41 -8.715 -3.336 5.473 1.00 4.33 H new ATOM 0 HG1 THR A 41 -8.127 -5.963 5.024 1.00 34.33 H new ATOM 0 HG21 THR A 41 -8.199 -5.041 7.165 1.00 63.15 H new ATOM 0 HG22 THR A 41 -9.792 -4.301 7.448 1.00 63.15 H new ATOM 0 HG23 THR A 41 -9.680 -5.925 6.727 1.00 63.15 H new ATOM 639 N GLU A 42 -10.733 -1.773 5.201 1.00 21.34 N ATOM 640 CA GLU A 42 -11.253 -0.540 5.757 1.00 45.32 C ATOM 641 C GLU A 42 -10.619 0.630 5.036 1.00 40.32 C ATOM 642 O GLU A 42 -9.637 0.449 4.286 1.00 4.23 O ATOM 643 CB GLU A 42 -10.948 -0.433 7.264 1.00 1.31 C ATOM 644 CG GLU A 42 -9.461 -0.384 7.608 1.00 65.41 C ATOM 645 CD GLU A 42 -9.224 -0.237 9.081 1.00 33.00 C ATOM 646 OE1 GLU A 42 -9.203 0.904 9.587 1.00 64.13 O ATOM 647 OE2 GLU A 42 -9.072 -1.254 9.767 1.00 34.30 O ATOM 0 H GLU A 42 -9.925 -1.645 4.592 1.00 21.34 H new ATOM 0 HA GLU A 42 -12.335 -0.531 5.626 1.00 45.32 H new ATOM 0 HB2 GLU A 42 -11.428 0.464 7.656 1.00 1.31 H new ATOM 0 HB3 GLU A 42 -11.398 -1.285 7.774 1.00 1.31 H new ATOM 0 HG2 GLU A 42 -8.978 -1.294 7.253 1.00 65.41 H new ATOM 0 HG3 GLU A 42 -8.996 0.450 7.082 1.00 65.41 H new ATOM 654 N VAL A 43 -11.156 1.794 5.258 1.00 50.31 N ATOM 655 CA VAL A 43 -10.631 3.012 4.712 1.00 2.11 C ATOM 656 C VAL A 43 -10.307 3.961 5.869 1.00 71.12 C ATOM 657 O VAL A 43 -10.993 3.957 6.898 1.00 62.25 O ATOM 658 CB VAL A 43 -11.613 3.665 3.673 1.00 23.41 C ATOM 659 CG1 VAL A 43 -12.973 3.961 4.281 1.00 42.44 C ATOM 660 CG2 VAL A 43 -11.023 4.925 3.063 1.00 24.23 C ATOM 0 H VAL A 43 -11.987 1.926 5.835 1.00 50.31 H new ATOM 0 HA VAL A 43 -9.719 2.794 4.156 1.00 2.11 H new ATOM 0 HB VAL A 43 -11.755 2.932 2.879 1.00 23.41 H new ATOM 0 HG11 VAL A 43 -13.618 4.411 3.527 1.00 42.44 H new ATOM 0 HG12 VAL A 43 -13.422 3.034 4.636 1.00 42.44 H new ATOM 0 HG13 VAL A 43 -12.856 4.651 5.117 1.00 42.44 H new ATOM 0 HG21 VAL A 43 -11.730 5.349 2.350 1.00 24.23 H new ATOM 0 HG22 VAL A 43 -10.823 5.651 3.851 1.00 24.23 H new ATOM 0 HG23 VAL A 43 -10.093 4.680 2.550 1.00 24.23 H new ATOM 670 N GLY A 44 -9.264 4.721 5.727 1.00 64.33 N ATOM 671 CA GLY A 44 -8.844 5.590 6.765 1.00 51.11 C ATOM 672 C GLY A 44 -8.862 7.036 6.359 1.00 64.42 C ATOM 673 O GLY A 44 -8.485 7.389 5.213 1.00 33.24 O ATOM 0 H GLY A 44 -8.686 4.751 4.887 1.00 64.33 H new ATOM 0 HA2 GLY A 44 -9.491 5.453 7.631 1.00 51.11 H new ATOM 0 HA3 GLY A 44 -7.835 5.317 7.075 1.00 51.11 H new ATOM 677 N GLU A 45 -9.291 7.866 7.285 1.00 2.24 N ATOM 678 CA GLU A 45 -9.352 9.304 7.115 1.00 74.20 C ATOM 679 C GLU A 45 -7.951 9.905 7.134 1.00 40.25 C ATOM 680 O GLU A 45 -6.951 9.191 7.257 1.00 41.33 O ATOM 681 CB GLU A 45 -10.134 9.926 8.254 1.00 31.41 C ATOM 682 CG GLU A 45 -11.584 9.541 8.351 1.00 45.04 C ATOM 683 CD GLU A 45 -12.224 10.154 9.570 1.00 34.22 C ATOM 684 OE1 GLU A 45 -12.174 11.389 9.726 1.00 62.24 O ATOM 685 OE2 GLU A 45 -12.745 9.407 10.434 1.00 71.33 O ATOM 0 H GLU A 45 -9.615 7.553 8.200 1.00 2.24 H new ATOM 0 HA GLU A 45 -9.835 9.507 6.159 1.00 74.20 H new ATOM 0 HB2 GLU A 45 -9.645 9.659 9.191 1.00 31.41 H new ATOM 0 HB3 GLU A 45 -10.073 11.010 8.160 1.00 31.41 H new ATOM 0 HG2 GLU A 45 -12.112 9.868 7.455 1.00 45.04 H new ATOM 0 HG3 GLU A 45 -11.674 8.456 8.395 1.00 45.04 H new ATOM 692 N ARG A 46 -7.882 11.231 7.094 1.00 63.22 N ATOM 693 CA ARG A 46 -6.602 11.935 7.099 1.00 3.12 C ATOM 694 C ARG A 46 -5.960 11.869 8.480 1.00 22.34 C ATOM 695 O ARG A 46 -4.796 12.188 8.646 1.00 21.14 O ATOM 696 CB ARG A 46 -6.727 13.410 6.634 1.00 63.20 C ATOM 697 CG ARG A 46 -7.097 13.640 5.152 1.00 3.44 C ATOM 698 CD ARG A 46 -8.523 13.201 4.811 1.00 33.02 C ATOM 699 NE ARG A 46 -9.518 13.899 5.636 1.00 32.31 N ATOM 700 CZ ARG A 46 -10.824 13.591 5.738 1.00 25.53 C ATOM 701 NH1 ARG A 46 -11.346 12.588 5.045 1.00 51.13 N ATOM 702 NH2 ARG A 46 -11.595 14.311 6.526 1.00 32.01 N ATOM 0 H ARG A 46 -8.698 11.842 7.058 1.00 63.22 H new ATOM 0 HA ARG A 46 -5.962 11.426 6.378 1.00 3.12 H new ATOM 0 HB2 ARG A 46 -7.479 13.899 7.253 1.00 63.20 H new ATOM 0 HB3 ARG A 46 -5.779 13.910 6.830 1.00 63.20 H new ATOM 0 HG2 ARG A 46 -6.983 14.698 4.916 1.00 3.44 H new ATOM 0 HG3 ARG A 46 -6.395 13.095 4.520 1.00 3.44 H new ATOM 0 HD2 ARG A 46 -8.722 13.397 3.757 1.00 33.02 H new ATOM 0 HD3 ARG A 46 -8.618 12.125 4.959 1.00 33.02 H new ATOM 0 HE ARG A 46 -9.187 14.693 6.184 1.00 32.31 H new ATOM 0 HH11 ARG A 46 -10.755 12.036 4.423 1.00 51.13 H new ATOM 0 HH12 ARG A 46 -12.338 12.368 5.134 1.00 51.13 H new ATOM 0 HH21 ARG A 46 -11.201 15.092 7.050 1.00 32.01 H new ATOM 0 HH22 ARG A 46 -12.587 14.088 6.612 1.00 32.01 H new ATOM 716 N SER A 47 -6.730 11.431 9.451 1.00 52.22 N ATOM 717 CA SER A 47 -6.278 11.275 10.812 1.00 40.35 C ATOM 718 C SER A 47 -5.339 10.055 10.958 1.00 22.11 C ATOM 719 O SER A 47 -4.646 9.917 11.963 1.00 31.21 O ATOM 720 CB SER A 47 -7.504 11.101 11.693 1.00 23.12 C ATOM 721 OG SER A 47 -8.463 12.117 11.411 1.00 72.13 O ATOM 0 H SER A 47 -7.706 11.169 9.312 1.00 52.22 H new ATOM 0 HA SER A 47 -5.710 12.156 11.110 1.00 40.35 H new ATOM 0 HB2 SER A 47 -7.945 10.118 11.525 1.00 23.12 H new ATOM 0 HB3 SER A 47 -7.215 11.145 12.743 1.00 23.12 H new ATOM 0 HG SER A 47 -9.249 11.993 11.983 1.00 72.13 H new ATOM 727 N VAL A 48 -5.315 9.187 9.951 1.00 14.44 N ATOM 728 CA VAL A 48 -4.493 7.986 9.999 1.00 32.33 C ATOM 729 C VAL A 48 -3.057 8.300 9.589 1.00 62.41 C ATOM 730 O VAL A 48 -2.788 8.620 8.431 1.00 73.24 O ATOM 731 CB VAL A 48 -5.070 6.853 9.097 1.00 63.15 C ATOM 732 CG1 VAL A 48 -4.192 5.603 9.142 1.00 52.01 C ATOM 733 CG2 VAL A 48 -6.486 6.506 9.523 1.00 45.21 C ATOM 0 H VAL A 48 -5.856 9.294 9.093 1.00 14.44 H new ATOM 0 HA VAL A 48 -4.500 7.630 11.029 1.00 32.33 H new ATOM 0 HB VAL A 48 -5.084 7.222 8.071 1.00 63.15 H new ATOM 0 HG11 VAL A 48 -4.623 4.833 8.502 1.00 52.01 H new ATOM 0 HG12 VAL A 48 -3.190 5.849 8.790 1.00 52.01 H new ATOM 0 HG13 VAL A 48 -4.136 5.234 10.166 1.00 52.01 H new ATOM 0 HG21 VAL A 48 -6.874 5.713 8.883 1.00 45.21 H new ATOM 0 HG22 VAL A 48 -6.482 6.167 10.559 1.00 45.21 H new ATOM 0 HG23 VAL A 48 -7.120 7.388 9.433 1.00 45.21 H new ATOM 743 N ASN A 49 -2.164 8.251 10.551 1.00 53.55 N ATOM 744 CA ASN A 49 -0.739 8.491 10.345 1.00 74.21 C ATOM 745 C ASN A 49 -0.020 7.184 10.131 1.00 32.11 C ATOM 746 O ASN A 49 -0.636 6.116 10.179 1.00 35.03 O ATOM 747 CB ASN A 49 -0.104 9.216 11.540 1.00 3.30 C ATOM 748 CG ASN A 49 -0.718 10.558 11.813 1.00 62.10 C ATOM 749 OD1 ASN A 49 -0.307 11.564 11.254 1.00 5.21 O ATOM 750 ND2 ASN A 49 -1.680 10.591 12.679 1.00 51.01 N ATOM 0 H ASN A 49 -2.404 8.040 11.520 1.00 53.55 H new ATOM 0 HA ASN A 49 -0.642 9.125 9.464 1.00 74.21 H new ATOM 0 HB2 ASN A 49 -0.201 8.592 12.428 1.00 3.30 H new ATOM 0 HB3 ASN A 49 0.963 9.343 11.355 1.00 3.30 H new ATOM 0 HD21 ASN A 49 -2.123 11.479 12.916 1.00 51.01 H new ATOM 0 HD22 ASN A 49 -1.995 9.729 13.124 1.00 51.01 H new ATOM 757 N TYR A 50 1.279 7.266 9.886 1.00 14.02 N ATOM 758 CA TYR A 50 2.125 6.087 9.664 1.00 12.43 C ATOM 759 C TYR A 50 2.010 5.128 10.857 1.00 62.21 C ATOM 760 O TYR A 50 1.785 3.938 10.688 1.00 13.11 O ATOM 761 CB TYR A 50 3.595 6.505 9.474 1.00 42.34 C ATOM 762 CG TYR A 50 3.788 7.617 8.465 1.00 22.41 C ATOM 763 CD1 TYR A 50 3.851 7.355 7.109 1.00 33.11 C ATOM 764 CD2 TYR A 50 3.891 8.942 8.881 1.00 33.03 C ATOM 765 CE1 TYR A 50 4.005 8.378 6.196 1.00 51.25 C ATOM 766 CE2 TYR A 50 4.050 9.964 7.978 1.00 11.54 C ATOM 767 CZ TYR A 50 4.102 9.683 6.640 1.00 5.41 C ATOM 768 OH TYR A 50 4.246 10.712 5.736 1.00 44.24 O ATOM 0 H TYR A 50 1.784 8.151 9.834 1.00 14.02 H new ATOM 0 HA TYR A 50 1.784 5.582 8.760 1.00 12.43 H new ATOM 0 HB2 TYR A 50 3.999 6.824 10.435 1.00 42.34 H new ATOM 0 HB3 TYR A 50 4.172 5.636 9.158 1.00 42.34 H new ATOM 0 HD1 TYR A 50 3.779 6.336 6.760 1.00 33.11 H new ATOM 0 HD2 TYR A 50 3.845 9.170 9.936 1.00 33.03 H new ATOM 0 HE1 TYR A 50 4.050 8.160 5.139 1.00 51.25 H new ATOM 0 HE2 TYR A 50 4.134 10.984 8.322 1.00 11.54 H new ATOM 0 HH TYR A 50 4.920 10.468 5.067 1.00 44.24 H new ATOM 778 N THR A 51 2.113 5.671 12.060 1.00 42.41 N ATOM 779 CA THR A 51 1.995 4.879 13.278 1.00 60.14 C ATOM 780 C THR A 51 0.589 4.237 13.380 1.00 0.44 C ATOM 781 O THR A 51 0.446 3.109 13.857 1.00 32.14 O ATOM 782 CB THR A 51 2.322 5.739 14.553 1.00 32.45 C ATOM 783 OG1 THR A 51 2.276 4.943 15.754 1.00 42.10 O ATOM 784 CG2 THR A 51 1.364 6.922 14.700 1.00 13.53 C ATOM 0 H THR A 51 2.279 6.664 12.221 1.00 42.41 H new ATOM 0 HA THR A 51 2.730 4.076 13.229 1.00 60.14 H new ATOM 0 HB THR A 51 3.334 6.119 14.415 1.00 32.45 H new ATOM 0 HG1 THR A 51 2.485 5.506 16.528 1.00 42.10 H new ATOM 0 HG21 THR A 51 1.623 7.491 15.593 1.00 13.53 H new ATOM 0 HG22 THR A 51 1.443 7.565 13.824 1.00 13.53 H new ATOM 0 HG23 THR A 51 0.342 6.554 14.789 1.00 13.53 H new ATOM 792 N ASP A 52 -0.413 4.931 12.839 1.00 31.14 N ATOM 793 CA ASP A 52 -1.802 4.483 12.886 1.00 12.01 C ATOM 794 C ASP A 52 -2.032 3.313 11.979 1.00 53.14 C ATOM 795 O ASP A 52 -2.941 2.525 12.212 1.00 64.44 O ATOM 796 CB ASP A 52 -2.779 5.589 12.502 1.00 72.13 C ATOM 797 CG ASP A 52 -2.928 6.666 13.526 1.00 3.25 C ATOM 798 OD1 ASP A 52 -3.806 6.542 14.395 1.00 45.13 O ATOM 799 OD2 ASP A 52 -2.216 7.692 13.453 1.00 54.31 O ATOM 0 H ASP A 52 -0.283 5.820 12.356 1.00 31.14 H new ATOM 0 HA ASP A 52 -1.985 4.191 13.920 1.00 12.01 H new ATOM 0 HB2 ASP A 52 -2.449 6.039 11.565 1.00 72.13 H new ATOM 0 HB3 ASP A 52 -3.757 5.144 12.316 1.00 72.13 H new ATOM 804 N LEU A 53 -1.274 3.229 10.911 1.00 14.25 N ATOM 805 CA LEU A 53 -1.389 2.093 10.033 1.00 44.13 C ATOM 806 C LEU A 53 -0.618 0.889 10.577 1.00 34.11 C ATOM 807 O LEU A 53 -1.150 -0.217 10.631 1.00 62.54 O ATOM 808 CB LEU A 53 -1.078 2.446 8.541 1.00 22.22 C ATOM 809 CG LEU A 53 0.314 3.008 8.160 1.00 74.14 C ATOM 810 CD1 LEU A 53 1.369 1.914 8.031 1.00 13.11 C ATOM 811 CD2 LEU A 53 0.229 3.826 6.885 1.00 42.31 C ATOM 0 H LEU A 53 -0.581 3.924 10.633 1.00 14.25 H new ATOM 0 HA LEU A 53 -2.436 1.789 10.018 1.00 44.13 H new ATOM 0 HB2 LEU A 53 -1.237 1.542 7.953 1.00 22.22 H new ATOM 0 HB3 LEU A 53 -1.823 3.173 8.216 1.00 22.22 H new ATOM 0 HG LEU A 53 0.630 3.658 8.976 1.00 74.14 H new ATOM 0 HD11 LEU A 53 2.326 2.361 7.763 1.00 13.11 H new ATOM 0 HD12 LEU A 53 1.467 1.390 8.981 1.00 13.11 H new ATOM 0 HD13 LEU A 53 1.069 1.208 7.257 1.00 13.11 H new ATOM 0 HD21 LEU A 53 1.217 4.212 6.634 1.00 42.31 H new ATOM 0 HD22 LEU A 53 -0.132 3.196 6.072 1.00 42.31 H new ATOM 0 HD23 LEU A 53 -0.459 4.658 7.032 1.00 42.31 H new ATOM 823 N LYS A 54 0.602 1.146 11.077 1.00 42.14 N ATOM 824 CA LYS A 54 1.515 0.097 11.579 1.00 64.44 C ATOM 825 C LYS A 54 0.866 -0.786 12.628 1.00 11.15 C ATOM 826 O LYS A 54 0.979 -2.015 12.580 1.00 30.13 O ATOM 827 CB LYS A 54 2.775 0.712 12.180 1.00 13.20 C ATOM 828 CG LYS A 54 3.619 1.523 11.212 1.00 74.03 C ATOM 829 CD LYS A 54 4.837 2.122 11.904 1.00 21.13 C ATOM 830 CE LYS A 54 5.792 1.040 12.365 1.00 22.31 C ATOM 831 NZ LYS A 54 6.919 1.577 13.158 1.00 40.31 N ATOM 0 H LYS A 54 0.987 2.088 11.146 1.00 42.14 H new ATOM 0 HA LYS A 54 1.769 -0.517 10.715 1.00 64.44 H new ATOM 0 HB2 LYS A 54 2.486 1.354 13.012 1.00 13.20 H new ATOM 0 HB3 LYS A 54 3.390 -0.088 12.593 1.00 13.20 H new ATOM 0 HG2 LYS A 54 3.943 0.887 10.388 1.00 74.03 H new ATOM 0 HG3 LYS A 54 3.015 2.321 10.780 1.00 74.03 H new ATOM 0 HD2 LYS A 54 5.351 2.798 11.221 1.00 21.13 H new ATOM 0 HD3 LYS A 54 4.517 2.717 12.759 1.00 21.13 H new ATOM 0 HE2 LYS A 54 5.247 0.310 12.963 1.00 22.31 H new ATOM 0 HE3 LYS A 54 6.183 0.511 11.496 1.00 22.31 H new ATOM 0 HZ1 LYS A 54 7.658 0.851 13.247 1.00 40.31 H new ATOM 0 HZ2 LYS A 54 7.311 2.414 12.681 1.00 40.31 H new ATOM 0 HZ3 LYS A 54 6.581 1.844 14.105 1.00 40.31 H new ATOM 845 N GLU A 55 0.159 -0.156 13.547 1.00 4.12 N ATOM 846 CA GLU A 55 -0.494 -0.834 14.670 1.00 71.43 C ATOM 847 C GLU A 55 -1.543 -1.879 14.231 1.00 71.12 C ATOM 848 O GLU A 55 -1.986 -2.690 15.046 1.00 12.31 O ATOM 849 CB GLU A 55 -1.153 0.189 15.587 1.00 65.23 C ATOM 850 CG GLU A 55 -2.087 1.116 14.850 1.00 64.23 C ATOM 851 CD GLU A 55 -2.935 1.953 15.747 1.00 54.30 C ATOM 852 OE1 GLU A 55 -2.431 2.901 16.341 1.00 64.22 O ATOM 853 OE2 GLU A 55 -4.147 1.662 15.869 1.00 51.30 O ATOM 0 H GLU A 55 0.015 0.854 13.542 1.00 4.12 H new ATOM 0 HA GLU A 55 0.291 -1.373 15.199 1.00 71.43 H new ATOM 0 HB2 GLU A 55 -1.707 -0.333 16.368 1.00 65.23 H new ATOM 0 HB3 GLU A 55 -0.381 0.777 16.083 1.00 65.23 H new ATOM 0 HG2 GLU A 55 -1.501 1.770 14.205 1.00 64.23 H new ATOM 0 HG3 GLU A 55 -2.734 0.525 14.201 1.00 64.23 H new ATOM 860 N LYS A 56 -1.945 -1.853 12.973 1.00 62.44 N ATOM 861 CA LYS A 56 -2.940 -2.791 12.489 1.00 3.23 C ATOM 862 C LYS A 56 -2.366 -4.145 12.168 1.00 31.45 C ATOM 863 O LYS A 56 -3.012 -5.158 12.415 1.00 55.44 O ATOM 864 CB LYS A 56 -3.725 -2.259 11.268 1.00 33.03 C ATOM 865 CG LYS A 56 -4.933 -1.383 11.595 1.00 42.12 C ATOM 866 CD LYS A 56 -4.556 -0.163 12.392 1.00 75.41 C ATOM 867 CE LYS A 56 -5.762 0.682 12.714 1.00 21.43 C ATOM 868 NZ LYS A 56 -5.395 1.894 13.463 1.00 44.22 N ATOM 0 H LYS A 56 -1.600 -1.197 12.272 1.00 62.44 H new ATOM 0 HA LYS A 56 -3.635 -2.904 13.321 1.00 3.23 H new ATOM 0 HB2 LYS A 56 -3.042 -1.687 10.640 1.00 33.03 H new ATOM 0 HB3 LYS A 56 -4.064 -3.110 10.677 1.00 33.03 H new ATOM 0 HG2 LYS A 56 -5.416 -1.074 10.668 1.00 42.12 H new ATOM 0 HG3 LYS A 56 -5.663 -1.968 12.155 1.00 42.12 H new ATOM 0 HD2 LYS A 56 -4.067 -0.468 13.317 1.00 75.41 H new ATOM 0 HD3 LYS A 56 -3.834 0.430 11.831 1.00 75.41 H new ATOM 0 HE2 LYS A 56 -6.265 0.964 11.789 1.00 21.43 H new ATOM 0 HE3 LYS A 56 -6.472 0.095 13.297 1.00 21.43 H new ATOM 0 HZ1 LYS A 56 -6.162 2.593 13.390 1.00 44.22 H new ATOM 0 HZ2 LYS A 56 -5.242 1.651 14.463 1.00 44.22 H new ATOM 0 HZ3 LYS A 56 -4.521 2.296 13.067 1.00 44.22 H new ATOM 882 N PHE A 57 -1.173 -4.211 11.638 1.00 14.12 N ATOM 883 CA PHE A 57 -0.729 -5.500 11.196 1.00 50.41 C ATOM 884 C PHE A 57 0.174 -6.226 12.164 1.00 31.03 C ATOM 885 O PHE A 57 1.344 -5.884 12.309 1.00 54.31 O ATOM 886 CB PHE A 57 -0.049 -5.366 9.810 1.00 0.15 C ATOM 887 CG PHE A 57 0.804 -6.546 9.359 1.00 25.22 C ATOM 888 CD1 PHE A 57 0.229 -7.710 8.906 1.00 24.42 C ATOM 889 CD2 PHE A 57 2.202 -6.465 9.404 1.00 73.33 C ATOM 890 CE1 PHE A 57 1.015 -8.779 8.505 1.00 0.25 C ATOM 891 CE2 PHE A 57 2.988 -7.521 9.009 1.00 44.13 C ATOM 892 CZ PHE A 57 2.396 -8.680 8.559 1.00 14.12 C ATOM 0 H PHE A 57 -0.525 -3.434 11.507 1.00 14.12 H new ATOM 0 HA PHE A 57 -1.623 -6.121 11.128 1.00 50.41 H new ATOM 0 HB2 PHE A 57 -0.825 -5.200 9.063 1.00 0.15 H new ATOM 0 HB3 PHE A 57 0.579 -4.475 9.822 1.00 0.15 H new ATOM 0 HD1 PHE A 57 -0.847 -7.792 8.862 1.00 24.42 H new ATOM 0 HD2 PHE A 57 2.670 -5.557 9.755 1.00 73.33 H new ATOM 0 HE1 PHE A 57 0.552 -9.688 8.151 1.00 0.25 H new ATOM 0 HE2 PHE A 57 4.064 -7.442 9.051 1.00 44.13 H new ATOM 0 HZ PHE A 57 3.009 -9.513 8.248 1.00 14.12 H new ATOM 902 N SER A 58 -0.391 -7.197 12.875 1.00 2.41 N ATOM 903 CA SER A 58 0.372 -8.306 13.416 1.00 3.04 C ATOM 904 C SER A 58 -0.612 -9.463 13.719 1.00 2.52 C ATOM 905 O SER A 58 -0.552 -10.032 14.806 1.00 64.42 O ATOM 906 CB SER A 58 0.999 -7.890 14.788 1.00 74.43 C ATOM 907 OG SER A 58 1.739 -6.665 14.742 1.00 11.12 O ATOM 0 H SER A 58 -1.388 -7.233 13.089 1.00 2.41 H new ATOM 0 HA SER A 58 1.146 -8.594 12.704 1.00 3.04 H new ATOM 0 HB2 SER A 58 0.202 -7.794 15.526 1.00 74.43 H new ATOM 0 HB3 SER A 58 1.657 -8.688 15.132 1.00 74.43 H new ATOM 0 HG SER A 58 1.976 -6.461 13.813 1.00 11.12 H new ATOM 913 N THR A 59 -1.473 -9.884 12.790 1.00 73.22 N ATOM 914 CA THR A 59 -2.243 -11.062 13.136 1.00 63.12 C ATOM 915 C THR A 59 -1.716 -12.368 12.499 1.00 11.43 C ATOM 916 O THR A 59 -1.241 -13.275 13.207 1.00 55.42 O ATOM 917 CB THR A 59 -3.786 -10.836 12.994 1.00 34.55 C ATOM 918 OG1 THR A 59 -4.520 -12.040 13.205 1.00 4.04 O ATOM 919 CG2 THR A 59 -4.160 -10.205 11.665 1.00 24.31 C ATOM 0 H THR A 59 -1.642 -9.467 11.874 1.00 73.22 H new ATOM 0 HA THR A 59 -2.080 -11.223 14.202 1.00 63.12 H new ATOM 0 HB THR A 59 -4.062 -10.131 13.778 1.00 34.55 H new ATOM 0 HG1 THR A 59 -5.479 -11.860 13.110 1.00 4.04 H new ATOM 0 HG21 THR A 59 -5.241 -10.070 11.618 1.00 24.31 H new ATOM 0 HG22 THR A 59 -3.669 -9.237 11.571 1.00 24.31 H new ATOM 0 HG23 THR A 59 -3.840 -10.855 10.851 1.00 24.31 H new ATOM 927 N GLU A 60 -1.754 -12.433 11.152 1.00 21.41 N ATOM 928 CA GLU A 60 -1.102 -13.484 10.382 1.00 74.21 C ATOM 929 C GLU A 60 -0.430 -12.904 9.167 1.00 12.13 C ATOM 930 O GLU A 60 0.789 -12.771 9.085 1.00 60.23 O ATOM 931 CB GLU A 60 -2.058 -14.571 9.888 1.00 50.12 C ATOM 932 CG GLU A 60 -2.762 -15.360 10.934 1.00 12.13 C ATOM 933 CD GLU A 60 -3.601 -16.460 10.329 1.00 12.01 C ATOM 934 OE1 GLU A 60 -4.202 -16.271 9.236 1.00 31.35 O ATOM 935 OE2 GLU A 60 -3.607 -17.569 10.875 1.00 14.22 O ATOM 0 H GLU A 60 -2.244 -11.749 10.576 1.00 21.41 H new ATOM 0 HA GLU A 60 -0.387 -13.936 11.069 1.00 74.21 H new ATOM 0 HB2 GLU A 60 -2.808 -14.102 9.251 1.00 50.12 H new ATOM 0 HB3 GLU A 60 -1.495 -15.262 9.261 1.00 50.12 H new ATOM 0 HG2 GLU A 60 -2.032 -15.793 11.618 1.00 12.13 H new ATOM 0 HG3 GLU A 60 -3.398 -14.699 11.523 1.00 12.13 H new ATOM 942 N LYS A 61 -1.289 -12.484 8.224 1.00 74.51 N ATOM 943 CA LYS A 61 -0.828 -12.083 6.906 1.00 42.41 C ATOM 944 C LYS A 61 -1.781 -11.097 6.138 1.00 62.34 C ATOM 945 O LYS A 61 -1.775 -11.110 4.905 1.00 64.44 O ATOM 946 CB LYS A 61 -0.745 -13.389 6.052 1.00 52.51 C ATOM 947 CG LYS A 61 -2.112 -13.986 5.549 1.00 13.32 C ATOM 948 CD LYS A 61 -3.123 -14.244 6.656 1.00 72.22 C ATOM 949 CE LYS A 61 -4.456 -14.730 6.129 1.00 52.25 C ATOM 950 NZ LYS A 61 -5.444 -14.857 7.218 1.00 35.42 N ATOM 0 H LYS A 61 -2.298 -12.417 8.358 1.00 74.51 H new ATOM 0 HA LYS A 61 0.117 -11.557 7.045 1.00 42.41 H new ATOM 0 HB2 LYS A 61 -0.119 -13.189 5.182 1.00 52.51 H new ATOM 0 HB3 LYS A 61 -0.236 -14.151 6.642 1.00 52.51 H new ATOM 0 HG2 LYS A 61 -2.551 -13.300 4.824 1.00 13.32 H new ATOM 0 HG3 LYS A 61 -1.917 -14.922 5.025 1.00 13.32 H new ATOM 0 HD2 LYS A 61 -2.718 -14.984 7.346 1.00 72.22 H new ATOM 0 HD3 LYS A 61 -3.275 -13.327 7.225 1.00 72.22 H new ATOM 0 HE2 LYS A 61 -4.828 -14.035 5.376 1.00 52.25 H new ATOM 0 HE3 LYS A 61 -4.326 -15.694 5.637 1.00 52.25 H new ATOM 0 HZ1 LYS A 61 -6.275 -15.378 6.873 1.00 35.42 H new ATOM 0 HZ2 LYS A 61 -5.018 -15.372 8.015 1.00 35.42 H new ATOM 0 HZ3 LYS A 61 -5.736 -13.910 7.534 1.00 35.42 H new ATOM 964 N PRO A 62 -2.533 -10.178 6.771 1.00 0.22 N ATOM 965 CA PRO A 62 -3.348 -9.282 5.984 1.00 35.20 C ATOM 966 C PRO A 62 -2.480 -8.145 5.484 1.00 71.34 C ATOM 967 O PRO A 62 -1.750 -7.526 6.278 1.00 65.32 O ATOM 968 CB PRO A 62 -4.392 -8.783 6.984 1.00 34.54 C ATOM 969 CG PRO A 62 -3.720 -8.844 8.317 1.00 14.30 C ATOM 970 CD PRO A 62 -2.637 -9.891 8.216 1.00 13.15 C ATOM 0 HA PRO A 62 -3.806 -9.742 5.108 1.00 35.20 H new ATOM 0 HB2 PRO A 62 -4.708 -7.767 6.749 1.00 34.54 H new ATOM 0 HB3 PRO A 62 -5.285 -9.407 6.965 1.00 34.54 H new ATOM 0 HG2 PRO A 62 -3.296 -7.875 8.580 1.00 14.30 H new ATOM 0 HG3 PRO A 62 -4.435 -9.102 9.098 1.00 14.30 H new ATOM 0 HD2 PRO A 62 -1.692 -9.524 8.617 1.00 13.15 H new ATOM 0 HD3 PRO A 62 -2.897 -10.786 8.781 1.00 13.15 H new ATOM 978 N CYS A 63 -2.517 -7.843 4.209 1.00 44.01 N ATOM 979 CA CYS A 63 -1.701 -6.779 3.782 1.00 2.13 C ATOM 980 C CYS A 63 -2.236 -6.082 2.562 1.00 3.04 C ATOM 981 O CYS A 63 -2.810 -6.721 1.706 1.00 31.21 O ATOM 982 CB CYS A 63 -0.423 -7.525 3.331 1.00 15.32 C ATOM 983 SG CYS A 63 0.614 -6.651 2.152 1.00 14.23 S ATOM 0 H CYS A 63 -3.080 -8.304 3.494 1.00 44.01 H new ATOM 0 HA CYS A 63 -1.594 -6.024 4.561 1.00 2.13 H new ATOM 0 HB2 CYS A 63 0.174 -7.751 4.214 1.00 15.32 H new ATOM 0 HB3 CYS A 63 -0.717 -8.478 2.892 1.00 15.32 H new ATOM 0 HG CYS A 63 1.856 -6.993 2.330 1.00 14.23 H new ATOM 989 N TYR A 64 -2.126 -4.732 2.585 1.00 64.24 N ATOM 990 CA TYR A 64 -2.098 -3.757 1.543 1.00 42.40 C ATOM 991 C TYR A 64 -1.853 -2.425 2.182 1.00 23.24 C ATOM 992 O TYR A 64 -2.231 -2.286 3.353 1.00 32.24 O ATOM 993 CB TYR A 64 -3.155 -3.810 0.439 1.00 74.43 C ATOM 994 CG TYR A 64 -2.743 -4.831 -0.613 1.00 61.41 C ATOM 995 CD1 TYR A 64 -1.462 -4.775 -1.181 1.00 42.41 C ATOM 996 CD2 TYR A 64 -3.576 -5.869 -0.996 1.00 20.24 C ATOM 997 CE1 TYR A 64 -1.041 -5.721 -2.073 1.00 52.40 C ATOM 998 CE2 TYR A 64 -3.152 -6.809 -1.904 1.00 54.23 C ATOM 999 CZ TYR A 64 -1.883 -6.731 -2.431 1.00 22.02 C ATOM 1000 OH TYR A 64 -1.443 -7.687 -3.297 1.00 61.55 O ATOM 0 H TYR A 64 -2.044 -4.265 3.488 1.00 64.24 H new ATOM 0 HA TYR A 64 -1.269 -4.017 0.884 1.00 42.40 H new ATOM 0 HB2 TYR A 64 -4.123 -4.078 0.861 1.00 74.43 H new ATOM 0 HB3 TYR A 64 -3.268 -2.827 -0.018 1.00 74.43 H new ATOM 0 HD1 TYR A 64 -0.796 -3.970 -0.909 1.00 42.41 H new ATOM 0 HD2 TYR A 64 -4.569 -5.940 -0.577 1.00 20.24 H new ATOM 0 HE1 TYR A 64 -0.047 -5.668 -2.492 1.00 52.40 H new ATOM 0 HE2 TYR A 64 -3.814 -7.608 -2.204 1.00 54.23 H new ATOM 0 HH TYR A 64 -0.581 -8.037 -2.988 1.00 61.55 H new ATOM 1010 N VAL A 65 -1.277 -1.483 1.545 1.00 20.10 N ATOM 1011 CA VAL A 65 -1.286 -0.131 2.099 1.00 55.01 C ATOM 1012 C VAL A 65 -1.467 0.850 0.992 1.00 13.21 C ATOM 1013 O VAL A 65 -0.562 1.060 0.210 1.00 73.22 O ATOM 1014 CB VAL A 65 0.025 0.286 2.825 1.00 11.14 C ATOM 1015 CG1 VAL A 65 -0.116 1.659 3.471 1.00 63.43 C ATOM 1016 CG2 VAL A 65 0.505 -0.721 3.831 1.00 71.04 C ATOM 0 H VAL A 65 -0.793 -1.588 0.653 1.00 20.10 H new ATOM 0 HA VAL A 65 -2.096 -0.132 2.829 1.00 55.01 H new ATOM 0 HB VAL A 65 0.788 0.332 2.048 1.00 11.14 H new ATOM 0 HG11 VAL A 65 0.816 1.923 3.971 1.00 63.43 H new ATOM 0 HG12 VAL A 65 -0.340 2.401 2.704 1.00 63.43 H new ATOM 0 HG13 VAL A 65 -0.925 1.636 4.201 1.00 63.43 H new ATOM 0 HG21 VAL A 65 1.423 -0.362 4.296 1.00 71.04 H new ATOM 0 HG22 VAL A 65 -0.258 -0.863 4.596 1.00 71.04 H new ATOM 0 HG23 VAL A 65 0.699 -1.670 3.332 1.00 71.04 H new ATOM 1026 N ALA A 66 -2.598 1.429 0.905 1.00 5.42 N ATOM 1027 CA ALA A 66 -2.783 2.504 -0.010 1.00 5.15 C ATOM 1028 C ALA A 66 -2.734 3.747 0.819 1.00 31.00 C ATOM 1029 O ALA A 66 -3.648 4.002 1.603 1.00 21.12 O ATOM 1030 CB ALA A 66 -4.099 2.365 -0.741 1.00 11.43 C ATOM 0 H ALA A 66 -3.421 1.182 1.455 1.00 5.42 H new ATOM 0 HA ALA A 66 -2.016 2.521 -0.784 1.00 5.15 H new ATOM 0 HB1 ALA A 66 -4.219 3.197 -1.435 1.00 11.43 H new ATOM 0 HB2 ALA A 66 -4.110 1.426 -1.295 1.00 11.43 H new ATOM 0 HB3 ALA A 66 -4.917 2.371 -0.021 1.00 11.43 H new ATOM 1036 N PHE A 67 -1.649 4.465 0.736 1.00 50.25 N ATOM 1037 CA PHE A 67 -1.478 5.611 1.584 1.00 72.03 C ATOM 1038 C PHE A 67 -0.918 6.792 0.811 1.00 74.41 C ATOM 1039 O PHE A 67 -0.004 6.641 -0.007 1.00 53.43 O ATOM 1040 CB PHE A 67 -0.547 5.218 2.749 1.00 3.03 C ATOM 1041 CG PHE A 67 -0.405 6.231 3.850 1.00 22.31 C ATOM 1042 CD1 PHE A 67 -1.430 6.429 4.750 1.00 54.41 C ATOM 1043 CD2 PHE A 67 0.754 6.968 3.993 1.00 0.11 C ATOM 1044 CE1 PHE A 67 -1.310 7.342 5.773 1.00 24.30 C ATOM 1045 CE2 PHE A 67 0.882 7.883 5.018 1.00 33.30 C ATOM 1046 CZ PHE A 67 -0.150 8.070 5.908 1.00 32.45 C ATOM 0 H PHE A 67 -0.876 4.280 0.096 1.00 50.25 H new ATOM 0 HA PHE A 67 -2.446 5.923 1.975 1.00 72.03 H new ATOM 0 HB2 PHE A 67 -0.914 4.288 3.183 1.00 3.03 H new ATOM 0 HB3 PHE A 67 0.443 5.011 2.343 1.00 3.03 H new ATOM 0 HD1 PHE A 67 -2.342 5.859 4.651 1.00 54.41 H new ATOM 0 HD2 PHE A 67 1.567 6.827 3.297 1.00 0.11 H new ATOM 0 HE1 PHE A 67 -2.124 7.487 6.468 1.00 24.30 H new ATOM 0 HE2 PHE A 67 1.794 8.453 5.122 1.00 33.30 H new ATOM 0 HZ PHE A 67 -0.050 8.786 6.710 1.00 32.45 H new ATOM 1056 N ASP A 68 -1.499 7.940 1.038 1.00 13.42 N ATOM 1057 CA ASP A 68 -1.002 9.191 0.477 1.00 11.40 C ATOM 1058 C ASP A 68 0.147 9.672 1.333 1.00 44.24 C ATOM 1059 O ASP A 68 0.042 9.705 2.550 1.00 53.51 O ATOM 1060 CB ASP A 68 -2.119 10.229 0.405 1.00 21.20 C ATOM 1061 CG ASP A 68 -1.637 11.636 0.121 1.00 73.13 C ATOM 1062 OD1 ASP A 68 -1.170 11.926 -0.999 1.00 11.41 O ATOM 1063 OD2 ASP A 68 -1.769 12.490 1.008 1.00 71.03 O ATOM 0 H ASP A 68 -2.332 8.046 1.617 1.00 13.42 H new ATOM 0 HA ASP A 68 -0.650 9.033 -0.542 1.00 11.40 H new ATOM 0 HB2 ASP A 68 -2.825 9.934 -0.372 1.00 21.20 H new ATOM 0 HB3 ASP A 68 -2.664 10.227 1.349 1.00 21.20 H new ATOM 1068 N PHE A 69 1.233 10.004 0.713 1.00 50.15 N ATOM 1069 CA PHE A 69 2.447 10.306 1.415 1.00 64.43 C ATOM 1070 C PHE A 69 3.091 11.601 0.922 1.00 44.40 C ATOM 1071 O PHE A 69 3.528 11.694 -0.219 1.00 0.13 O ATOM 1072 CB PHE A 69 3.384 9.099 1.232 1.00 52.25 C ATOM 1073 CG PHE A 69 4.812 9.288 1.629 1.00 0.52 C ATOM 1074 CD1 PHE A 69 5.163 9.481 2.943 1.00 61.50 C ATOM 1075 CD2 PHE A 69 5.808 9.237 0.671 1.00 61.23 C ATOM 1076 CE1 PHE A 69 6.481 9.625 3.301 1.00 71.02 C ATOM 1077 CE2 PHE A 69 7.124 9.382 1.020 1.00 74.11 C ATOM 1078 CZ PHE A 69 7.461 9.576 2.338 1.00 13.54 C ATOM 0 H PHE A 69 1.307 10.075 -0.302 1.00 50.15 H new ATOM 0 HA PHE A 69 2.238 10.473 2.472 1.00 64.43 H new ATOM 0 HB2 PHE A 69 2.980 8.265 1.806 1.00 52.25 H new ATOM 0 HB3 PHE A 69 3.359 8.806 0.182 1.00 52.25 H new ATOM 0 HD1 PHE A 69 4.395 9.520 3.702 1.00 61.50 H new ATOM 0 HD2 PHE A 69 5.545 9.081 -0.365 1.00 61.23 H new ATOM 0 HE1 PHE A 69 6.747 9.776 4.337 1.00 71.02 H new ATOM 0 HE2 PHE A 69 7.893 9.344 0.263 1.00 74.11 H new ATOM 0 HZ PHE A 69 8.498 9.690 2.618 1.00 13.54 H new ATOM 1088 N GLU A 70 3.139 12.597 1.772 1.00 3.13 N ATOM 1089 CA GLU A 70 3.800 13.826 1.424 1.00 45.23 C ATOM 1090 C GLU A 70 5.174 13.859 2.060 1.00 45.34 C ATOM 1091 O GLU A 70 5.348 13.485 3.240 1.00 52.22 O ATOM 1092 CB GLU A 70 2.986 15.090 1.799 1.00 64.01 C ATOM 1093 CG GLU A 70 2.748 15.318 3.291 1.00 42.34 C ATOM 1094 CD GLU A 70 1.790 14.347 3.909 1.00 71.33 C ATOM 1095 OE1 GLU A 70 2.210 13.269 4.374 1.00 3.11 O ATOM 1096 OE2 GLU A 70 0.598 14.646 3.959 1.00 73.12 O ATOM 0 H GLU A 70 2.729 12.579 2.706 1.00 3.13 H new ATOM 0 HA GLU A 70 3.893 13.846 0.338 1.00 45.23 H new ATOM 0 HB2 GLU A 70 3.502 15.962 1.397 1.00 64.01 H new ATOM 0 HB3 GLU A 70 2.018 15.035 1.302 1.00 64.01 H new ATOM 0 HG2 GLU A 70 3.702 15.255 3.815 1.00 42.34 H new ATOM 0 HG3 GLU A 70 2.370 16.330 3.438 1.00 42.34 H new ATOM 1103 N TYR A 71 6.145 14.265 1.304 1.00 1.11 N ATOM 1104 CA TYR A 71 7.499 14.304 1.785 1.00 43.33 C ATOM 1105 C TYR A 71 8.275 15.321 0.985 1.00 51.22 C ATOM 1106 O TYR A 71 7.729 15.929 0.052 1.00 10.41 O ATOM 1107 CB TYR A 71 8.148 12.908 1.660 1.00 31.00 C ATOM 1108 CG TYR A 71 8.517 12.473 0.244 1.00 5.45 C ATOM 1109 CD1 TYR A 71 7.643 12.621 -0.839 1.00 74.24 C ATOM 1110 CD2 TYR A 71 9.753 11.922 0.003 1.00 31.13 C ATOM 1111 CE1 TYR A 71 8.019 12.235 -2.107 1.00 21.44 C ATOM 1112 CE2 TYR A 71 10.122 11.531 -1.249 1.00 5.20 C ATOM 1113 CZ TYR A 71 9.267 11.693 -2.300 1.00 2.42 C ATOM 1114 OH TYR A 71 9.674 11.317 -3.553 1.00 53.53 O ATOM 0 H TYR A 71 6.028 14.578 0.340 1.00 1.11 H new ATOM 0 HA TYR A 71 7.507 14.590 2.837 1.00 43.33 H new ATOM 0 HB2 TYR A 71 9.050 12.891 2.272 1.00 31.00 H new ATOM 0 HB3 TYR A 71 7.464 12.171 2.080 1.00 31.00 H new ATOM 0 HD1 TYR A 71 6.662 13.043 -0.679 1.00 74.24 H new ATOM 0 HD2 TYR A 71 10.445 11.796 0.822 1.00 31.13 H new ATOM 0 HE1 TYR A 71 7.341 12.357 -2.939 1.00 21.44 H new ATOM 0 HE2 TYR A 71 11.095 11.091 -1.410 1.00 5.20 H new ATOM 0 HH TYR A 71 10.005 12.101 -4.039 1.00 53.53 H new ATOM 1124 N ASN A 72 9.518 15.513 1.330 1.00 15.42 N ATOM 1125 CA ASN A 72 10.368 16.425 0.606 1.00 44.53 C ATOM 1126 C ASN A 72 10.821 15.761 -0.680 1.00 44.23 C ATOM 1127 O ASN A 72 11.601 14.800 -0.665 1.00 5.34 O ATOM 1128 CB ASN A 72 11.582 16.840 1.462 1.00 72.12 C ATOM 1129 CG ASN A 72 12.498 17.894 0.810 1.00 53.41 C ATOM 1130 OD1 ASN A 72 12.642 17.975 -0.417 1.00 3.15 O ATOM 1131 ND2 ASN A 72 13.124 18.697 1.623 1.00 71.22 N ATOM 0 H ASN A 72 9.971 15.046 2.116 1.00 15.42 H new ATOM 0 HA ASN A 72 9.808 17.330 0.370 1.00 44.53 H new ATOM 0 HB2 ASN A 72 11.222 17.230 2.414 1.00 72.12 H new ATOM 0 HB3 ASN A 72 12.173 15.952 1.684 1.00 72.12 H new ATOM 0 HD21 ASN A 72 13.749 19.412 1.252 1.00 71.22 H new ATOM 0 HD22 ASN A 72 12.989 18.610 2.630 1.00 71.22 H new ATOM 1138 N ASP A 73 10.317 16.252 -1.768 1.00 14.31 N ATOM 1139 CA ASP A 73 10.677 15.778 -3.075 1.00 40.42 C ATOM 1140 C ASP A 73 11.243 16.952 -3.843 1.00 4.45 C ATOM 1141 O ASP A 73 10.527 17.923 -4.125 1.00 31.13 O ATOM 1142 CB ASP A 73 9.451 15.187 -3.801 1.00 42.53 C ATOM 1143 CG ASP A 73 9.763 14.574 -5.171 1.00 42.24 C ATOM 1144 OD1 ASP A 73 9.731 15.286 -6.215 1.00 64.52 O ATOM 1145 OD2 ASP A 73 10.013 13.354 -5.240 1.00 70.34 O ATOM 0 H ASP A 73 9.631 17.007 -1.777 1.00 14.31 H new ATOM 0 HA ASP A 73 11.417 14.981 -3.000 1.00 40.42 H new ATOM 0 HB2 ASP A 73 9.002 14.422 -3.167 1.00 42.53 H new ATOM 0 HB3 ASP A 73 8.706 15.972 -3.929 1.00 42.53 H new ATOM 1150 N ALA A 74 12.556 16.926 -4.037 1.00 4.42 N ATOM 1151 CA ALA A 74 13.289 17.924 -4.824 1.00 0.24 C ATOM 1152 C ALA A 74 13.242 19.337 -4.208 1.00 73.22 C ATOM 1153 O ALA A 74 13.407 20.333 -4.911 1.00 43.24 O ATOM 1154 CB ALA A 74 12.801 17.929 -6.269 1.00 1.42 C ATOM 0 H ALA A 74 13.157 16.200 -3.647 1.00 4.42 H new ATOM 0 HA ALA A 74 14.338 17.629 -4.810 1.00 0.24 H new ATOM 0 HB1 ALA A 74 13.356 18.675 -6.838 1.00 1.42 H new ATOM 0 HB2 ALA A 74 12.960 16.945 -6.710 1.00 1.42 H new ATOM 0 HB3 ALA A 74 11.738 18.170 -6.293 1.00 1.42 H new ATOM 1160 N GLY A 75 13.060 19.415 -2.902 1.00 42.44 N ATOM 1161 CA GLY A 75 13.088 20.699 -2.234 1.00 21.41 C ATOM 1162 C GLY A 75 11.723 21.260 -1.907 1.00 54.10 C ATOM 1163 O GLY A 75 11.614 22.400 -1.433 1.00 1.51 O ATOM 0 H GLY A 75 12.894 18.615 -2.292 1.00 42.44 H new ATOM 0 HA2 GLY A 75 13.659 20.603 -1.311 1.00 21.41 H new ATOM 0 HA3 GLY A 75 13.619 21.412 -2.864 1.00 21.41 H new ATOM 1167 N SER A 76 10.692 20.498 -2.155 1.00 70.03 N ATOM 1168 CA SER A 76 9.355 20.916 -1.822 1.00 33.24 C ATOM 1169 C SER A 76 8.589 19.730 -1.270 1.00 15.23 C ATOM 1170 O SER A 76 8.951 18.589 -1.553 1.00 75.54 O ATOM 1171 CB SER A 76 8.672 21.530 -3.054 1.00 32.41 C ATOM 1172 OG SER A 76 8.796 20.685 -4.188 1.00 53.13 O ATOM 0 H SER A 76 10.753 19.577 -2.590 1.00 70.03 H new ATOM 0 HA SER A 76 9.379 21.689 -1.054 1.00 33.24 H new ATOM 0 HB2 SER A 76 7.617 21.702 -2.840 1.00 32.41 H new ATOM 0 HB3 SER A 76 9.115 22.502 -3.272 1.00 32.41 H new ATOM 0 HG SER A 76 8.697 21.217 -5.005 1.00 53.13 H new ATOM 1178 N LYS A 77 7.584 19.967 -0.461 1.00 63.51 N ATOM 1179 CA LYS A 77 6.803 18.874 0.059 1.00 23.14 C ATOM 1180 C LYS A 77 5.741 18.499 -0.946 1.00 15.41 C ATOM 1181 O LYS A 77 4.790 19.247 -1.184 1.00 45.40 O ATOM 1182 CB LYS A 77 6.187 19.156 1.448 1.00 34.44 C ATOM 1183 CG LYS A 77 7.171 19.177 2.635 1.00 23.31 C ATOM 1184 CD LYS A 77 8.147 20.350 2.597 1.00 30.32 C ATOM 1185 CE LYS A 77 9.042 20.384 3.838 1.00 74.33 C ATOM 1186 NZ LYS A 77 8.265 20.537 5.092 1.00 3.52 N ATOM 0 H LYS A 77 7.292 20.894 -0.153 1.00 63.51 H new ATOM 0 HA LYS A 77 7.481 18.035 0.214 1.00 23.14 H new ATOM 0 HB2 LYS A 77 5.677 20.119 1.408 1.00 34.44 H new ATOM 0 HB3 LYS A 77 5.427 18.400 1.646 1.00 34.44 H new ATOM 0 HG2 LYS A 77 6.605 19.216 3.565 1.00 23.31 H new ATOM 0 HG3 LYS A 77 7.736 18.245 2.645 1.00 23.31 H new ATOM 0 HD2 LYS A 77 8.767 20.278 1.703 1.00 30.32 H new ATOM 0 HD3 LYS A 77 7.590 21.284 2.525 1.00 30.32 H new ATOM 0 HE2 LYS A 77 9.627 19.465 3.886 1.00 74.33 H new ATOM 0 HE3 LYS A 77 9.750 21.208 3.750 1.00 74.33 H new ATOM 0 HZ1 LYS A 77 8.907 20.791 5.870 1.00 3.52 H new ATOM 0 HZ2 LYS A 77 7.554 21.287 4.971 1.00 3.52 H new ATOM 0 HZ3 LYS A 77 7.788 19.641 5.316 1.00 3.52 H new ATOM 1200 N ARG A 78 5.913 17.362 -1.538 1.00 35.44 N ATOM 1201 CA ARG A 78 5.033 16.893 -2.568 1.00 12.52 C ATOM 1202 C ARG A 78 4.340 15.635 -2.100 1.00 72.15 C ATOM 1203 O ARG A 78 4.922 14.848 -1.344 1.00 34.41 O ATOM 1204 CB ARG A 78 5.818 16.643 -3.856 1.00 33.34 C ATOM 1205 CG ARG A 78 6.524 17.887 -4.385 1.00 35.14 C ATOM 1206 CD ARG A 78 7.299 17.596 -5.650 1.00 62.51 C ATOM 1207 NE ARG A 78 7.937 18.793 -6.196 1.00 4.34 N ATOM 1208 CZ ARG A 78 8.811 18.797 -7.202 1.00 63.04 C ATOM 1209 NH1 ARG A 78 9.410 17.663 -7.569 1.00 32.40 N ATOM 1210 NH2 ARG A 78 9.175 19.950 -7.760 1.00 3.33 N ATOM 0 H ARG A 78 6.677 16.722 -1.320 1.00 35.44 H new ATOM 0 HA ARG A 78 4.277 17.650 -2.778 1.00 12.52 H new ATOM 0 HB2 ARG A 78 6.558 15.863 -3.676 1.00 33.34 H new ATOM 0 HB3 ARG A 78 5.138 16.267 -4.620 1.00 33.34 H new ATOM 0 HG2 ARG A 78 5.788 18.667 -4.581 1.00 35.14 H new ATOM 0 HG3 ARG A 78 7.202 18.272 -3.623 1.00 35.14 H new ATOM 0 HD2 ARG A 78 8.060 16.844 -5.443 1.00 62.51 H new ATOM 0 HD3 ARG A 78 6.627 17.172 -6.396 1.00 62.51 H new ATOM 0 HE ARG A 78 7.695 19.691 -5.776 1.00 4.34 H new ATOM 0 HH11 ARG A 78 9.199 16.793 -7.080 1.00 32.40 H new ATOM 0 HH12 ARG A 78 10.079 17.666 -8.339 1.00 32.40 H new ATOM 0 HH21 ARG A 78 8.785 20.828 -7.417 1.00 3.33 H new ATOM 0 HH22 ARG A 78 9.844 19.955 -8.530 1.00 3.33 H new ATOM 1224 N GLU A 79 3.117 15.461 -2.522 1.00 42.33 N ATOM 1225 CA GLU A 79 2.318 14.332 -2.112 1.00 30.20 C ATOM 1226 C GLU A 79 2.289 13.226 -3.152 1.00 74.51 C ATOM 1227 O GLU A 79 1.866 13.427 -4.279 1.00 42.34 O ATOM 1228 CB GLU A 79 0.912 14.779 -1.637 1.00 21.13 C ATOM 1229 CG GLU A 79 0.288 15.993 -2.368 1.00 14.31 C ATOM 1230 CD GLU A 79 -0.040 15.778 -3.827 1.00 71.33 C ATOM 1231 OE1 GLU A 79 -1.142 15.269 -4.127 1.00 12.23 O ATOM 1232 OE2 GLU A 79 0.772 16.153 -4.698 1.00 51.11 O ATOM 0 H GLU A 79 2.643 16.098 -3.162 1.00 42.33 H new ATOM 0 HA GLU A 79 2.805 13.884 -1.246 1.00 30.20 H new ATOM 0 HB2 GLU A 79 0.232 13.933 -1.740 1.00 21.13 H new ATOM 0 HB3 GLU A 79 0.970 15.014 -0.574 1.00 21.13 H new ATOM 0 HG2 GLU A 79 -0.626 16.278 -1.847 1.00 14.31 H new ATOM 0 HG3 GLU A 79 0.976 16.835 -2.289 1.00 14.31 H new ATOM 1239 N LYS A 80 2.776 12.075 -2.775 1.00 75.45 N ATOM 1240 CA LYS A 80 2.829 10.932 -3.649 1.00 12.14 C ATOM 1241 C LYS A 80 2.084 9.785 -3.032 1.00 12.51 C ATOM 1242 O LYS A 80 2.237 9.495 -1.855 1.00 51.24 O ATOM 1243 CB LYS A 80 4.288 10.527 -3.972 1.00 64.22 C ATOM 1244 CG LYS A 80 5.089 11.611 -4.692 1.00 41.04 C ATOM 1245 CD LYS A 80 4.371 12.046 -5.953 1.00 53.04 C ATOM 1246 CE LYS A 80 5.076 13.169 -6.668 1.00 3.44 C ATOM 1247 NZ LYS A 80 4.252 13.667 -7.781 1.00 10.24 N ATOM 0 H LYS A 80 3.151 11.901 -1.843 1.00 75.45 H new ATOM 0 HA LYS A 80 2.353 11.202 -4.591 1.00 12.14 H new ATOM 0 HB2 LYS A 80 4.797 10.270 -3.043 1.00 64.22 H new ATOM 0 HB3 LYS A 80 4.277 9.628 -4.588 1.00 64.22 H new ATOM 0 HG2 LYS A 80 5.230 12.467 -4.032 1.00 41.04 H new ATOM 0 HG3 LYS A 80 6.081 11.234 -4.942 1.00 41.04 H new ATOM 0 HD2 LYS A 80 4.280 11.194 -6.626 1.00 53.04 H new ATOM 0 HD3 LYS A 80 3.359 12.362 -5.699 1.00 53.04 H new ATOM 0 HE2 LYS A 80 5.283 13.980 -5.970 1.00 3.44 H new ATOM 0 HE3 LYS A 80 6.037 12.821 -7.046 1.00 3.44 H new ATOM 0 HZ1 LYS A 80 4.752 14.441 -8.264 1.00 10.24 H new ATOM 0 HZ2 LYS A 80 4.076 12.895 -8.455 1.00 10.24 H new ATOM 0 HZ3 LYS A 80 3.345 14.018 -7.412 1.00 10.24 H new ATOM 1261 N LEU A 81 1.261 9.167 -3.808 1.00 61.04 N ATOM 1262 CA LEU A 81 0.480 8.063 -3.347 1.00 62.45 C ATOM 1263 C LEU A 81 1.282 6.788 -3.481 1.00 54.33 C ATOM 1264 O LEU A 81 1.770 6.445 -4.564 1.00 31.12 O ATOM 1265 CB LEU A 81 -0.870 7.968 -4.088 1.00 64.02 C ATOM 1266 CG LEU A 81 -1.914 9.084 -3.799 1.00 4.15 C ATOM 1267 CD1 LEU A 81 -1.468 10.457 -4.290 1.00 71.14 C ATOM 1268 CD2 LEU A 81 -3.241 8.732 -4.413 1.00 10.32 C ATOM 0 H LEU A 81 1.108 9.412 -4.786 1.00 61.04 H new ATOM 0 HA LEU A 81 0.242 8.219 -2.295 1.00 62.45 H new ATOM 0 HB2 LEU A 81 -0.669 7.962 -5.159 1.00 64.02 H new ATOM 0 HB3 LEU A 81 -1.324 7.008 -3.843 1.00 64.02 H new ATOM 0 HG LEU A 81 -2.010 9.145 -2.715 1.00 4.15 H new ATOM 0 HD11 LEU A 81 -2.238 11.193 -4.060 1.00 71.14 H new ATOM 0 HD12 LEU A 81 -0.538 10.736 -3.794 1.00 71.14 H new ATOM 0 HD13 LEU A 81 -1.308 10.424 -5.368 1.00 71.14 H new ATOM 0 HD21 LEU A 81 -3.961 9.523 -4.202 1.00 10.32 H new ATOM 0 HD22 LEU A 81 -3.126 8.625 -5.492 1.00 10.32 H new ATOM 0 HD23 LEU A 81 -3.599 7.793 -3.991 1.00 10.32 H new ATOM 1280 N ILE A 82 1.450 6.110 -2.397 1.00 53.05 N ATOM 1281 CA ILE A 82 2.241 4.922 -2.380 1.00 45.41 C ATOM 1282 C ILE A 82 1.394 3.726 -2.031 1.00 31.15 C ATOM 1283 O ILE A 82 0.359 3.844 -1.355 1.00 53.41 O ATOM 1284 CB ILE A 82 3.435 5.032 -1.395 1.00 34.04 C ATOM 1285 CG1 ILE A 82 2.934 5.356 0.023 1.00 34.12 C ATOM 1286 CG2 ILE A 82 4.441 6.078 -1.882 1.00 25.35 C ATOM 1287 CD1 ILE A 82 4.021 5.453 1.060 1.00 73.43 C ATOM 0 H ILE A 82 1.044 6.362 -1.496 1.00 53.05 H new ATOM 0 HA ILE A 82 2.648 4.794 -3.383 1.00 45.41 H new ATOM 0 HB ILE A 82 3.947 4.070 -1.359 1.00 34.04 H new ATOM 0 HG12 ILE A 82 2.389 6.300 -0.004 1.00 34.12 H new ATOM 0 HG13 ILE A 82 2.224 4.587 0.329 1.00 34.12 H new ATOM 0 HG21 ILE A 82 5.271 6.140 -1.178 1.00 25.35 H new ATOM 0 HG22 ILE A 82 4.819 5.790 -2.863 1.00 25.35 H new ATOM 0 HG23 ILE A 82 3.951 7.049 -1.952 1.00 25.35 H new ATOM 0 HD11 ILE A 82 3.579 5.684 2.029 1.00 73.43 H new ATOM 0 HD12 ILE A 82 4.552 4.503 1.120 1.00 73.43 H new ATOM 0 HD13 ILE A 82 4.720 6.242 0.782 1.00 73.43 H new ATOM 1299 N LEU A 83 1.811 2.600 -2.502 1.00 24.45 N ATOM 1300 CA LEU A 83 1.149 1.375 -2.232 1.00 32.12 C ATOM 1301 C LEU A 83 2.137 0.461 -1.549 1.00 4.12 C ATOM 1302 O LEU A 83 3.017 -0.093 -2.188 1.00 53.25 O ATOM 1303 CB LEU A 83 0.618 0.747 -3.525 1.00 31.43 C ATOM 1304 CG LEU A 83 -0.172 -0.551 -3.369 1.00 42.44 C ATOM 1305 CD1 LEU A 83 -1.464 -0.313 -2.604 1.00 20.45 C ATOM 1306 CD2 LEU A 83 -0.454 -1.162 -4.722 1.00 64.43 C ATOM 0 H LEU A 83 2.636 2.506 -3.095 1.00 24.45 H new ATOM 0 HA LEU A 83 0.288 1.544 -1.586 1.00 32.12 H new ATOM 0 HB2 LEU A 83 -0.018 1.477 -4.025 1.00 31.43 H new ATOM 0 HB3 LEU A 83 1.464 0.556 -4.186 1.00 31.43 H new ATOM 0 HG LEU A 83 0.433 -1.252 -2.793 1.00 42.44 H new ATOM 0 HD11 LEU A 83 -2.008 -1.253 -2.507 1.00 20.45 H new ATOM 0 HD12 LEU A 83 -1.233 0.077 -1.613 1.00 20.45 H new ATOM 0 HD13 LEU A 83 -2.079 0.408 -3.143 1.00 20.45 H new ATOM 0 HD21 LEU A 83 -1.018 -2.086 -4.594 1.00 64.43 H new ATOM 0 HD22 LEU A 83 -1.036 -0.463 -5.323 1.00 64.43 H new ATOM 0 HD23 LEU A 83 0.487 -1.378 -5.227 1.00 64.43 H new ATOM 1318 N ILE A 84 2.008 0.336 -0.268 1.00 2.04 N ATOM 1319 CA ILE A 84 2.925 -0.443 0.533 1.00 22.13 C ATOM 1320 C ILE A 84 2.365 -1.857 0.732 1.00 14.44 C ATOM 1321 O ILE A 84 1.171 -2.064 0.742 1.00 14.24 O ATOM 1322 CB ILE A 84 3.235 0.211 1.918 1.00 40.41 C ATOM 1323 CG1 ILE A 84 3.439 1.724 1.784 1.00 21.04 C ATOM 1324 CG2 ILE A 84 4.478 -0.418 2.528 1.00 55.15 C ATOM 1325 CD1 ILE A 84 3.706 2.426 3.104 1.00 42.50 C ATOM 0 H ILE A 84 1.258 0.773 0.267 1.00 2.04 H new ATOM 0 HA ILE A 84 3.869 -0.485 -0.011 1.00 22.13 H new ATOM 0 HB ILE A 84 2.379 0.034 2.570 1.00 40.41 H new ATOM 0 HG12 ILE A 84 4.274 1.910 1.109 1.00 21.04 H new ATOM 0 HG13 ILE A 84 2.553 2.161 1.323 1.00 21.04 H new ATOM 0 HG21 ILE A 84 4.684 0.046 3.493 1.00 55.15 H new ATOM 0 HG22 ILE A 84 4.314 -1.487 2.667 1.00 55.15 H new ATOM 0 HG23 ILE A 84 5.328 -0.264 1.863 1.00 55.15 H new ATOM 0 HD11 ILE A 84 3.840 3.493 2.928 1.00 42.50 H new ATOM 0 HD12 ILE A 84 2.861 2.272 3.775 1.00 42.50 H new ATOM 0 HD13 ILE A 84 4.609 2.017 3.557 1.00 42.50 H new ATOM 1337 N GLN A 85 3.218 -2.801 0.741 1.00 14.44 N ATOM 1338 CA GLN A 85 2.911 -4.166 0.950 1.00 74.42 C ATOM 1339 C GLN A 85 3.600 -4.577 2.218 1.00 14.44 C ATOM 1340 O GLN A 85 4.828 -4.445 2.334 1.00 74.13 O ATOM 1341 CB GLN A 85 3.445 -5.088 -0.180 1.00 44.21 C ATOM 1342 CG GLN A 85 2.820 -4.973 -1.574 1.00 65.33 C ATOM 1343 CD GLN A 85 3.077 -3.657 -2.277 1.00 32.02 C ATOM 1344 OE1 GLN A 85 4.088 -3.485 -2.952 1.00 54.00 O ATOM 1345 NE2 GLN A 85 2.147 -2.766 -2.201 1.00 34.21 N ATOM 0 H GLN A 85 4.214 -2.637 0.594 1.00 14.44 H new ATOM 0 HA GLN A 85 1.826 -4.270 0.982 1.00 74.42 H new ATOM 0 HB2 GLN A 85 4.515 -4.904 -0.280 1.00 44.21 H new ATOM 0 HB3 GLN A 85 3.329 -6.120 0.151 1.00 44.21 H new ATOM 0 HG2 GLN A 85 3.202 -5.782 -2.196 1.00 65.33 H new ATOM 0 HG3 GLN A 85 1.743 -5.119 -1.487 1.00 65.33 H new ATOM 0 HE21 GLN A 85 1.319 -2.940 -1.631 1.00 34.21 H new ATOM 0 HE22 GLN A 85 2.240 -1.887 -2.711 1.00 34.21 H new ATOM 1354 N TRP A 86 2.844 -5.036 3.148 1.00 62.44 N ATOM 1355 CA TRP A 86 3.374 -5.591 4.350 1.00 42.45 C ATOM 1356 C TRP A 86 3.774 -7.007 3.942 1.00 74.41 C ATOM 1357 O TRP A 86 2.894 -7.795 3.608 1.00 73.02 O ATOM 1358 CB TRP A 86 2.256 -5.748 5.423 1.00 31.02 C ATOM 1359 CG TRP A 86 1.281 -4.604 5.620 1.00 62.05 C ATOM 1360 CD1 TRP A 86 0.238 -4.291 4.816 1.00 1.25 C ATOM 1361 CD2 TRP A 86 1.206 -3.690 6.722 1.00 4.32 C ATOM 1362 NE1 TRP A 86 -0.469 -3.248 5.332 1.00 62.22 N ATOM 1363 CE2 TRP A 86 0.109 -2.851 6.493 1.00 64.15 C ATOM 1364 CE3 TRP A 86 1.961 -3.492 7.860 1.00 75.54 C ATOM 1365 CZ2 TRP A 86 -0.249 -1.835 7.365 1.00 34.31 C ATOM 1366 CZ3 TRP A 86 1.609 -2.483 8.730 1.00 2.32 C ATOM 1367 CH2 TRP A 86 0.513 -1.668 8.474 1.00 51.53 C ATOM 0 H TRP A 86 1.825 -5.039 3.100 1.00 62.44 H new ATOM 0 HA TRP A 86 4.174 -4.973 4.757 1.00 42.45 H new ATOM 0 HB2 TRP A 86 1.678 -6.638 5.173 1.00 31.02 H new ATOM 0 HB3 TRP A 86 2.739 -5.941 6.381 1.00 31.02 H new ATOM 0 HD1 TRP A 86 -0.000 -4.798 3.893 1.00 1.25 H new ATOM 0 HE1 TRP A 86 -1.300 -2.832 4.913 1.00 62.22 H new ATOM 0 HE3 TRP A 86 2.816 -4.119 8.066 1.00 75.54 H new ATOM 0 HZ2 TRP A 86 -1.101 -1.201 7.169 1.00 34.31 H new ATOM 0 HZ3 TRP A 86 2.194 -2.323 9.624 1.00 2.32 H new ATOM 0 HH2 TRP A 86 0.263 -0.884 9.174 1.00 51.53 H new ATOM 1378 N ILE A 87 5.044 -7.315 3.847 1.00 55.01 N ATOM 1379 CA ILE A 87 5.410 -8.682 3.508 1.00 11.23 C ATOM 1380 C ILE A 87 5.148 -9.541 4.742 1.00 64.22 C ATOM 1381 O ILE A 87 5.806 -9.370 5.778 1.00 2.13 O ATOM 1382 CB ILE A 87 6.886 -8.815 3.018 1.00 61.45 C ATOM 1383 CG1 ILE A 87 7.132 -7.927 1.774 1.00 21.41 C ATOM 1384 CG2 ILE A 87 7.229 -10.270 2.705 1.00 4.43 C ATOM 1385 CD1 ILE A 87 6.231 -8.228 0.585 1.00 55.21 C ATOM 0 H ILE A 87 5.821 -6.671 3.992 1.00 55.01 H new ATOM 0 HA ILE A 87 4.805 -9.019 2.666 1.00 11.23 H new ATOM 0 HB ILE A 87 7.537 -8.474 3.823 1.00 61.45 H new ATOM 0 HG12 ILE A 87 6.998 -6.883 2.058 1.00 21.41 H new ATOM 0 HG13 ILE A 87 8.170 -8.042 1.463 1.00 21.41 H new ATOM 0 HG21 ILE A 87 8.263 -10.335 2.366 1.00 4.43 H new ATOM 0 HG22 ILE A 87 7.103 -10.875 3.603 1.00 4.43 H new ATOM 0 HG23 ILE A 87 6.566 -10.640 1.923 1.00 4.43 H new ATOM 0 HD11 ILE A 87 6.477 -7.556 -0.237 1.00 55.21 H new ATOM 0 HD12 ILE A 87 6.380 -9.260 0.268 1.00 55.21 H new ATOM 0 HD13 ILE A 87 5.189 -8.084 0.872 1.00 55.21 H new ATOM 1397 N PRO A 88 4.161 -10.446 4.676 1.00 3.20 N ATOM 1398 CA PRO A 88 3.713 -11.151 5.842 1.00 31.00 C ATOM 1399 C PRO A 88 4.611 -12.312 6.252 1.00 23.04 C ATOM 1400 O PRO A 88 4.895 -13.236 5.483 1.00 31.53 O ATOM 1401 CB PRO A 88 2.318 -11.609 5.456 1.00 71.13 C ATOM 1402 CG PRO A 88 2.362 -11.788 3.973 1.00 13.20 C ATOM 1403 CD PRO A 88 3.423 -10.850 3.457 1.00 24.45 C ATOM 0 HA PRO A 88 3.732 -10.516 6.728 1.00 31.00 H new ATOM 0 HB2 PRO A 88 2.056 -12.541 5.958 1.00 71.13 H new ATOM 0 HB3 PRO A 88 1.568 -10.871 5.742 1.00 71.13 H new ATOM 0 HG2 PRO A 88 2.598 -12.820 3.714 1.00 13.20 H new ATOM 0 HG3 PRO A 88 1.394 -11.561 3.526 1.00 13.20 H new ATOM 0 HD2 PRO A 88 4.077 -11.343 2.738 1.00 24.45 H new ATOM 0 HD3 PRO A 88 2.985 -9.990 2.951 1.00 24.45 H new ATOM 1411 N ASP A 89 5.051 -12.232 7.471 1.00 51.24 N ATOM 1412 CA ASP A 89 5.925 -13.218 8.102 1.00 61.50 C ATOM 1413 C ASP A 89 5.164 -14.452 8.583 1.00 51.52 C ATOM 1414 O ASP A 89 5.649 -15.567 8.510 1.00 73.32 O ATOM 1415 CB ASP A 89 6.655 -12.550 9.271 1.00 12.31 C ATOM 1416 CG ASP A 89 7.405 -13.516 10.155 1.00 11.01 C ATOM 1417 OD1 ASP A 89 8.536 -13.935 9.797 1.00 43.23 O ATOM 1418 OD2 ASP A 89 6.897 -13.837 11.243 1.00 35.25 O ATOM 0 H ASP A 89 4.812 -11.457 8.089 1.00 51.24 H new ATOM 0 HA ASP A 89 6.640 -13.568 7.357 1.00 61.50 H new ATOM 0 HB2 ASP A 89 7.356 -11.814 8.876 1.00 12.31 H new ATOM 0 HB3 ASP A 89 5.930 -12.006 9.877 1.00 12.31 H new ATOM 1423 N THR A 90 3.945 -14.253 8.985 1.00 74.35 N ATOM 1424 CA THR A 90 3.165 -15.298 9.635 1.00 75.42 C ATOM 1425 C THR A 90 2.201 -15.933 8.604 1.00 14.43 C ATOM 1426 O THR A 90 1.196 -16.567 8.933 1.00 14.02 O ATOM 1427 CB THR A 90 2.399 -14.656 10.814 1.00 21.24 C ATOM 1428 OG1 THR A 90 3.290 -13.745 11.484 1.00 2.54 O ATOM 1429 CG2 THR A 90 1.931 -15.699 11.826 1.00 75.12 C ATOM 0 H THR A 90 3.451 -13.367 8.878 1.00 74.35 H new ATOM 0 HA THR A 90 3.806 -16.092 10.019 1.00 75.42 H new ATOM 0 HB THR A 90 1.520 -14.149 10.416 1.00 21.24 H new ATOM 0 HG1 THR A 90 2.823 -13.324 12.236 1.00 2.54 H new ATOM 0 HG21 THR A 90 1.397 -15.205 12.638 1.00 75.12 H new ATOM 0 HG22 THR A 90 1.266 -16.410 11.335 1.00 75.12 H new ATOM 0 HG23 THR A 90 2.795 -16.228 12.229 1.00 75.12 H new ATOM 1437 N ALA A 91 2.573 -15.782 7.369 1.00 75.00 N ATOM 1438 CA ALA A 91 1.813 -16.238 6.241 1.00 73.32 C ATOM 1439 C ALA A 91 2.272 -17.609 5.801 1.00 11.43 C ATOM 1440 O ALA A 91 3.443 -17.965 5.964 1.00 1.01 O ATOM 1441 CB ALA A 91 2.029 -15.273 5.110 1.00 53.43 C ATOM 0 H ALA A 91 3.445 -15.322 7.108 1.00 75.00 H new ATOM 0 HA ALA A 91 0.760 -16.295 6.518 1.00 73.32 H new ATOM 0 HB1 ALA A 91 1.460 -15.599 4.239 1.00 53.43 H new ATOM 0 HB2 ALA A 91 1.695 -14.280 5.410 1.00 53.43 H new ATOM 0 HB3 ALA A 91 3.089 -15.239 4.859 1.00 53.43 H new ATOM 1447 N ARG A 92 1.359 -18.368 5.256 1.00 1.55 N ATOM 1448 CA ARG A 92 1.674 -19.659 4.657 1.00 12.32 C ATOM 1449 C ARG A 92 2.106 -19.366 3.225 1.00 62.13 C ATOM 1450 O ARG A 92 1.839 -18.250 2.747 1.00 43.13 O ATOM 1451 CB ARG A 92 0.451 -20.643 4.664 1.00 3.03 C ATOM 1452 CG ARG A 92 -0.047 -21.103 6.042 1.00 4.42 C ATOM 1453 CD ARG A 92 -0.668 -19.958 6.780 1.00 75.15 C ATOM 1454 NE ARG A 92 -1.245 -20.292 8.058 1.00 32.41 N ATOM 1455 CZ ARG A 92 -2.045 -19.458 8.712 1.00 14.33 C ATOM 1456 NH1 ARG A 92 -2.370 -18.274 8.150 1.00 3.23 N ATOM 1457 NH2 ARG A 92 -2.532 -19.787 9.906 1.00 41.52 N ATOM 0 H ARG A 92 0.371 -18.118 5.209 1.00 1.55 H new ATOM 0 HA ARG A 92 2.456 -20.154 5.233 1.00 12.32 H new ATOM 0 HB2 ARG A 92 -0.378 -20.162 4.144 1.00 3.03 H new ATOM 0 HB3 ARG A 92 0.720 -21.527 4.085 1.00 3.03 H new ATOM 0 HG2 ARG A 92 -0.775 -21.906 5.924 1.00 4.42 H new ATOM 0 HG3 ARG A 92 0.784 -21.509 6.619 1.00 4.42 H new ATOM 0 HD2 ARG A 92 0.091 -19.190 6.931 1.00 75.15 H new ATOM 0 HD3 ARG A 92 -1.444 -19.520 6.152 1.00 75.15 H new ATOM 0 HE ARG A 92 -1.032 -21.199 8.474 1.00 32.41 H new ATOM 0 HH11 ARG A 92 -2.002 -18.027 7.231 1.00 3.23 H new ATOM 0 HH12 ARG A 92 -2.984 -17.626 8.644 1.00 3.23 H new ATOM 0 HH21 ARG A 92 -2.291 -20.685 10.325 1.00 41.52 H new ATOM 0 HH22 ARG A 92 -3.146 -19.141 10.402 1.00 41.52 H new ATOM 1471 N PRO A 93 2.795 -20.315 2.524 1.00 5.33 N ATOM 1472 CA PRO A 93 3.282 -20.137 1.146 1.00 34.12 C ATOM 1473 C PRO A 93 2.350 -19.334 0.228 1.00 44.51 C ATOM 1474 O PRO A 93 2.780 -18.344 -0.365 1.00 73.13 O ATOM 1475 CB PRO A 93 3.441 -21.577 0.622 1.00 11.25 C ATOM 1476 CG PRO A 93 3.192 -22.483 1.798 1.00 54.55 C ATOM 1477 CD PRO A 93 3.222 -21.625 3.028 1.00 15.30 C ATOM 0 HA PRO A 93 4.201 -19.551 1.148 1.00 34.12 H new ATOM 0 HB2 PRO A 93 2.733 -21.779 -0.182 1.00 11.25 H new ATOM 0 HB3 PRO A 93 4.439 -21.735 0.214 1.00 11.25 H new ATOM 0 HG2 PRO A 93 2.229 -22.984 1.701 1.00 54.55 H new ATOM 0 HG3 PRO A 93 3.953 -23.262 1.853 1.00 54.55 H new ATOM 0 HD2 PRO A 93 2.549 -22.000 3.799 1.00 15.30 H new ATOM 0 HD3 PRO A 93 4.219 -21.584 3.468 1.00 15.30 H new ATOM 1485 N ARG A 94 1.066 -19.714 0.162 1.00 15.53 N ATOM 1486 CA ARG A 94 0.112 -19.030 -0.716 1.00 35.40 C ATOM 1487 C ARG A 94 -0.048 -17.547 -0.351 1.00 0.40 C ATOM 1488 O ARG A 94 0.065 -16.704 -1.194 1.00 20.11 O ATOM 1489 CB ARG A 94 -1.266 -19.722 -0.717 1.00 41.12 C ATOM 1490 CG ARG A 94 -2.307 -18.998 -1.577 1.00 73.23 C ATOM 1491 CD ARG A 94 -3.672 -19.676 -1.562 1.00 2.21 C ATOM 1492 NE ARG A 94 -3.698 -20.957 -2.282 1.00 31.01 N ATOM 1493 CZ ARG A 94 -4.790 -21.475 -2.897 1.00 41.02 C ATOM 1494 NH1 ARG A 94 -5.963 -20.824 -2.876 1.00 0.45 N ATOM 1495 NH2 ARG A 94 -4.701 -22.642 -3.534 1.00 14.22 N ATOM 0 H ARG A 94 0.669 -20.484 0.701 1.00 15.53 H new ATOM 0 HA ARG A 94 0.529 -19.091 -1.721 1.00 35.40 H new ATOM 0 HB2 ARG A 94 -1.152 -20.743 -1.080 1.00 41.12 H new ATOM 0 HB3 ARG A 94 -1.633 -19.787 0.307 1.00 41.12 H new ATOM 0 HG2 ARG A 94 -2.413 -17.973 -1.222 1.00 73.23 H new ATOM 0 HG3 ARG A 94 -1.946 -18.944 -2.604 1.00 73.23 H new ATOM 0 HD2 ARG A 94 -3.975 -19.843 -0.528 1.00 2.21 H new ATOM 0 HD3 ARG A 94 -4.407 -19.004 -2.005 1.00 2.21 H new ATOM 0 HE ARG A 94 -2.832 -21.495 -2.322 1.00 31.01 H new ATOM 0 HH11 ARG A 94 -6.041 -19.929 -2.394 1.00 0.45 H new ATOM 0 HH12 ARG A 94 -6.777 -21.224 -3.342 1.00 0.45 H new ATOM 0 HH21 ARG A 94 -3.813 -23.143 -3.558 1.00 14.22 H new ATOM 0 HH22 ARG A 94 -5.521 -23.034 -3.997 1.00 14.22 H new ATOM 1509 N GLU A 95 -0.232 -17.264 0.913 1.00 32.40 N ATOM 1510 CA GLU A 95 -0.485 -15.905 1.427 1.00 63.41 C ATOM 1511 C GLU A 95 0.755 -15.062 1.264 1.00 71.40 C ATOM 1512 O GLU A 95 0.697 -13.946 0.746 1.00 33.23 O ATOM 1513 CB GLU A 95 -0.841 -16.041 2.896 1.00 31.02 C ATOM 1514 CG GLU A 95 -1.935 -17.068 3.164 1.00 64.33 C ATOM 1515 CD GLU A 95 -2.185 -17.298 4.636 1.00 20.11 C ATOM 1516 OE1 GLU A 95 -1.215 -17.399 5.398 1.00 63.11 O ATOM 1517 OE2 GLU A 95 -3.358 -17.435 5.040 1.00 42.12 O ATOM 0 H GLU A 95 -0.213 -17.974 1.645 1.00 32.40 H new ATOM 0 HA GLU A 95 -1.296 -15.422 0.881 1.00 63.41 H new ATOM 0 HB2 GLU A 95 0.053 -16.320 3.454 1.00 31.02 H new ATOM 0 HB3 GLU A 95 -1.163 -15.071 3.275 1.00 31.02 H new ATOM 0 HG2 GLU A 95 -2.860 -16.736 2.692 1.00 64.33 H new ATOM 0 HG3 GLU A 95 -1.660 -18.013 2.696 1.00 64.33 H new ATOM 1524 N LYS A 96 1.870 -15.637 1.636 1.00 62.33 N ATOM 1525 CA LYS A 96 3.160 -14.984 1.596 1.00 60.13 C ATOM 1526 C LYS A 96 3.457 -14.528 0.138 1.00 4.11 C ATOM 1527 O LYS A 96 3.711 -13.331 -0.132 1.00 71.21 O ATOM 1528 CB LYS A 96 4.182 -16.023 2.069 1.00 50.15 C ATOM 1529 CG LYS A 96 5.478 -15.492 2.651 1.00 32.13 C ATOM 1530 CD LYS A 96 6.284 -16.663 3.207 1.00 41.14 C ATOM 1531 CE LYS A 96 7.459 -16.230 4.071 1.00 14.14 C ATOM 1532 NZ LYS A 96 8.490 -15.475 3.331 1.00 22.14 N ATOM 0 H LYS A 96 1.910 -16.595 1.984 1.00 62.33 H new ATOM 0 HA LYS A 96 3.196 -14.099 2.231 1.00 60.13 H new ATOM 0 HB2 LYS A 96 3.704 -16.651 2.821 1.00 50.15 H new ATOM 0 HB3 LYS A 96 4.428 -16.667 1.224 1.00 50.15 H new ATOM 0 HG2 LYS A 96 6.050 -14.970 1.884 1.00 32.13 H new ATOM 0 HG3 LYS A 96 5.269 -14.769 3.440 1.00 32.13 H new ATOM 0 HD2 LYS A 96 5.625 -17.301 3.796 1.00 41.14 H new ATOM 0 HD3 LYS A 96 6.655 -17.266 2.378 1.00 41.14 H new ATOM 0 HE2 LYS A 96 7.089 -15.615 4.891 1.00 14.14 H new ATOM 0 HE3 LYS A 96 7.917 -17.113 4.516 1.00 14.14 H new ATOM 0 HZ1 LYS A 96 9.260 -15.212 3.979 1.00 22.14 H new ATOM 0 HZ2 LYS A 96 8.870 -16.066 2.564 1.00 22.14 H new ATOM 0 HZ3 LYS A 96 8.068 -14.614 2.928 1.00 22.14 H new ATOM 1546 N MET A 97 3.305 -15.462 -0.806 1.00 75.10 N ATOM 1547 CA MET A 97 3.576 -15.181 -2.218 1.00 72.02 C ATOM 1548 C MET A 97 2.478 -14.311 -2.846 1.00 30.30 C ATOM 1549 O MET A 97 2.772 -13.429 -3.646 1.00 20.33 O ATOM 1550 CB MET A 97 3.755 -16.483 -3.049 1.00 13.40 C ATOM 1551 CG MET A 97 2.482 -17.315 -3.224 1.00 12.23 C ATOM 1552 SD MET A 97 2.713 -18.831 -4.174 1.00 73.43 S ATOM 1553 CE MET A 97 3.230 -18.171 -5.762 1.00 3.21 C ATOM 0 H MET A 97 2.997 -16.416 -0.618 1.00 75.10 H new ATOM 0 HA MET A 97 4.515 -14.628 -2.242 1.00 72.02 H new ATOM 0 HB2 MET A 97 4.137 -16.218 -4.035 1.00 13.40 H new ATOM 0 HB3 MET A 97 4.513 -17.102 -2.569 1.00 13.40 H new ATOM 0 HG2 MET A 97 2.092 -17.573 -2.239 1.00 12.23 H new ATOM 0 HG3 MET A 97 1.726 -16.703 -3.716 1.00 12.23 H new ATOM 0 HE1 MET A 97 3.137 -18.944 -6.525 1.00 3.21 H new ATOM 0 HE2 MET A 97 2.599 -17.322 -6.026 1.00 3.21 H new ATOM 0 HE3 MET A 97 4.268 -17.845 -5.700 1.00 3.21 H new ATOM 1563 N MET A 98 1.223 -14.552 -2.457 1.00 35.12 N ATOM 1564 CA MET A 98 0.061 -13.858 -3.031 1.00 45.11 C ATOM 1565 C MET A 98 0.123 -12.382 -2.743 1.00 41.03 C ATOM 1566 O MET A 98 0.039 -11.558 -3.655 1.00 13.34 O ATOM 1567 CB MET A 98 -1.249 -14.437 -2.473 1.00 44.11 C ATOM 1568 CG MET A 98 -2.510 -13.856 -3.079 1.00 11.44 C ATOM 1569 SD MET A 98 -2.624 -14.134 -4.851 1.00 63.23 S ATOM 1570 CE MET A 98 -2.682 -15.928 -4.930 1.00 62.45 C ATOM 0 H MET A 98 0.981 -15.232 -1.736 1.00 35.12 H new ATOM 0 HA MET A 98 0.085 -14.009 -4.110 1.00 45.11 H new ATOM 0 HB2 MET A 98 -1.250 -15.515 -2.632 1.00 44.11 H new ATOM 0 HB3 MET A 98 -1.272 -14.274 -1.396 1.00 44.11 H new ATOM 0 HG2 MET A 98 -3.379 -14.297 -2.590 1.00 11.44 H new ATOM 0 HG3 MET A 98 -2.542 -12.785 -2.881 1.00 11.44 H new ATOM 0 HE1 MET A 98 -3.067 -16.237 -5.902 1.00 62.45 H new ATOM 0 HE2 MET A 98 -1.679 -16.331 -4.793 1.00 62.45 H new ATOM 0 HE3 MET A 98 -3.335 -16.306 -4.144 1.00 62.45 H new ATOM 1580 N TYR A 99 0.315 -12.053 -1.483 1.00 25.30 N ATOM 1581 CA TYR A 99 0.378 -10.673 -1.057 1.00 41.32 C ATOM 1582 C TYR A 99 1.569 -9.958 -1.655 1.00 43.21 C ATOM 1583 O TYR A 99 1.473 -8.783 -2.022 1.00 13.41 O ATOM 1584 CB TYR A 99 0.336 -10.562 0.468 1.00 32.23 C ATOM 1585 CG TYR A 99 -1.051 -10.776 1.035 1.00 12.25 C ATOM 1586 CD1 TYR A 99 -1.932 -9.723 1.112 1.00 54.21 C ATOM 1587 CD2 TYR A 99 -1.482 -12.019 1.482 1.00 50.43 C ATOM 1588 CE1 TYR A 99 -3.198 -9.886 1.611 1.00 74.13 C ATOM 1589 CE2 TYR A 99 -2.756 -12.193 1.986 1.00 34.43 C ATOM 1590 CZ TYR A 99 -3.607 -11.113 2.047 1.00 12.22 C ATOM 1591 OH TYR A 99 -4.884 -11.261 2.535 1.00 34.50 O ATOM 0 H TYR A 99 0.431 -12.731 -0.730 1.00 25.30 H new ATOM 0 HA TYR A 99 -0.509 -10.166 -1.437 1.00 41.32 H new ATOM 0 HB2 TYR A 99 1.017 -11.296 0.900 1.00 32.23 H new ATOM 0 HB3 TYR A 99 0.697 -9.578 0.766 1.00 32.23 H new ATOM 0 HD1 TYR A 99 -1.620 -8.747 0.772 1.00 54.21 H new ATOM 0 HD2 TYR A 99 -0.810 -12.863 1.435 1.00 50.43 H new ATOM 0 HE1 TYR A 99 -3.872 -9.044 1.659 1.00 74.13 H new ATOM 0 HE2 TYR A 99 -3.081 -13.165 2.328 1.00 34.43 H new ATOM 0 HH TYR A 99 -5.025 -12.192 2.805 1.00 34.50 H new ATOM 1601 N SER A 100 2.671 -10.673 -1.797 1.00 13.12 N ATOM 1602 CA SER A 100 3.849 -10.109 -2.408 1.00 31.43 C ATOM 1603 C SER A 100 3.663 -9.879 -3.935 1.00 60.43 C ATOM 1604 O SER A 100 4.036 -8.835 -4.454 1.00 53.52 O ATOM 1605 CB SER A 100 5.046 -11.021 -2.151 1.00 64.02 C ATOM 1606 OG SER A 100 5.253 -11.222 -0.749 1.00 25.11 O ATOM 0 H SER A 100 2.769 -11.643 -1.496 1.00 13.12 H new ATOM 0 HA SER A 100 4.026 -9.133 -1.956 1.00 31.43 H new ATOM 0 HB2 SER A 100 4.885 -11.982 -2.639 1.00 64.02 H new ATOM 0 HB3 SER A 100 5.941 -10.584 -2.594 1.00 64.02 H new ATOM 0 HG SER A 100 4.889 -12.093 -0.486 1.00 25.11 H new ATOM 1612 N ALA A 101 3.051 -10.837 -4.624 1.00 35.21 N ATOM 1613 CA ALA A 101 2.938 -10.784 -6.089 1.00 51.30 C ATOM 1614 C ALA A 101 1.803 -9.894 -6.587 1.00 62.03 C ATOM 1615 O ALA A 101 1.955 -9.188 -7.587 1.00 64.22 O ATOM 1616 CB ALA A 101 2.793 -12.182 -6.668 1.00 33.52 C ATOM 0 H ALA A 101 2.625 -11.660 -4.198 1.00 35.21 H new ATOM 0 HA ALA A 101 3.865 -10.331 -6.441 1.00 51.30 H new ATOM 0 HB1 ALA A 101 2.711 -12.120 -7.753 1.00 33.52 H new ATOM 0 HB2 ALA A 101 3.667 -12.778 -6.404 1.00 33.52 H new ATOM 0 HB3 ALA A 101 1.897 -12.653 -6.263 1.00 33.52 H new ATOM 1622 N SER A 102 0.685 -9.891 -5.893 1.00 61.54 N ATOM 1623 CA SER A 102 -0.489 -9.141 -6.339 1.00 3.22 C ATOM 1624 C SER A 102 -0.351 -7.618 -6.181 1.00 63.32 C ATOM 1625 O SER A 102 -1.271 -6.853 -6.532 1.00 43.11 O ATOM 1626 CB SER A 102 -1.741 -9.689 -5.687 1.00 45.11 C ATOM 1627 OG SER A 102 -1.888 -11.067 -6.030 1.00 30.13 O ATOM 0 H SER A 102 0.556 -10.397 -5.017 1.00 61.54 H new ATOM 0 HA SER A 102 -0.573 -9.290 -7.415 1.00 3.22 H new ATOM 0 HB2 SER A 102 -1.680 -9.576 -4.605 1.00 45.11 H new ATOM 0 HB3 SER A 102 -2.613 -9.125 -6.017 1.00 45.11 H new ATOM 0 HG SER A 102 -2.151 -11.576 -5.235 1.00 30.13 H new ATOM 1633 N ARG A 103 0.825 -7.188 -5.712 1.00 31.25 N ATOM 1634 CA ARG A 103 1.172 -5.777 -5.600 1.00 30.20 C ATOM 1635 C ARG A 103 1.013 -5.108 -6.983 1.00 70.31 C ATOM 1636 O ARG A 103 0.519 -3.989 -7.097 1.00 13.23 O ATOM 1637 CB ARG A 103 2.649 -5.624 -5.143 1.00 25.42 C ATOM 1638 CG ARG A 103 3.613 -6.234 -6.135 1.00 60.13 C ATOM 1639 CD ARG A 103 5.072 -5.916 -5.931 1.00 14.22 C ATOM 1640 NE ARG A 103 5.783 -6.319 -7.148 1.00 13.52 N ATOM 1641 CZ ARG A 103 7.066 -6.129 -7.453 1.00 14.53 C ATOM 1642 NH1 ARG A 103 7.926 -5.647 -6.574 1.00 12.51 N ATOM 1643 NH2 ARG A 103 7.482 -6.454 -8.652 1.00 23.23 N ATOM 0 H ARG A 103 1.564 -7.817 -5.399 1.00 31.25 H new ATOM 0 HA ARG A 103 0.515 -5.306 -4.869 1.00 30.20 H new ATOM 0 HB2 ARG A 103 2.881 -4.567 -5.014 1.00 25.42 H new ATOM 0 HB3 ARG A 103 2.779 -6.100 -4.171 1.00 25.42 H new ATOM 0 HG2 ARG A 103 3.492 -7.317 -6.108 1.00 60.13 H new ATOM 0 HG3 ARG A 103 3.328 -5.906 -7.135 1.00 60.13 H new ATOM 0 HD2 ARG A 103 5.210 -4.852 -5.741 1.00 14.22 H new ATOM 0 HD3 ARG A 103 5.463 -6.448 -5.064 1.00 14.22 H new ATOM 0 HE ARG A 103 5.225 -6.806 -7.850 1.00 13.52 H new ATOM 0 HH11 ARG A 103 7.614 -5.409 -5.632 1.00 12.51 H new ATOM 0 HH12 ARG A 103 8.902 -5.512 -6.837 1.00 12.51 H new ATOM 0 HH21 ARG A 103 6.828 -6.844 -9.331 1.00 23.23 H new ATOM 0 HH22 ARG A 103 8.460 -6.317 -8.907 1.00 23.23 H new ATOM 1657 N ASP A 104 1.393 -5.850 -8.029 1.00 42.15 N ATOM 1658 CA ASP A 104 1.403 -5.359 -9.387 1.00 43.42 C ATOM 1659 C ASP A 104 0.012 -5.228 -9.913 1.00 64.04 C ATOM 1660 O ASP A 104 -0.315 -4.224 -10.524 1.00 31.42 O ATOM 1661 CB ASP A 104 2.223 -6.268 -10.307 1.00 21.15 C ATOM 1662 CG ASP A 104 3.713 -6.272 -10.019 1.00 14.05 C ATOM 1663 OD1 ASP A 104 4.162 -7.068 -9.170 1.00 62.42 O ATOM 1664 OD2 ASP A 104 4.469 -5.517 -10.673 1.00 31.31 O ATOM 0 H ASP A 104 1.704 -6.818 -7.942 1.00 42.15 H new ATOM 0 HA ASP A 104 1.872 -4.375 -9.372 1.00 43.42 H new ATOM 0 HB2 ASP A 104 1.846 -7.287 -10.221 1.00 21.15 H new ATOM 0 HB3 ASP A 104 2.066 -5.956 -11.340 1.00 21.15 H new ATOM 1669 N ALA A 105 -0.813 -6.231 -9.643 1.00 4.22 N ATOM 1670 CA ALA A 105 -2.208 -6.246 -10.077 1.00 33.24 C ATOM 1671 C ALA A 105 -2.950 -5.032 -9.531 1.00 41.02 C ATOM 1672 O ALA A 105 -3.631 -4.311 -10.271 1.00 44.35 O ATOM 1673 CB ALA A 105 -2.889 -7.528 -9.617 1.00 33.54 C ATOM 0 H ALA A 105 -0.536 -7.059 -9.116 1.00 4.22 H new ATOM 0 HA ALA A 105 -2.232 -6.206 -11.166 1.00 33.24 H new ATOM 0 HB1 ALA A 105 -3.928 -7.527 -9.947 1.00 33.54 H new ATOM 0 HB2 ALA A 105 -2.373 -8.388 -10.045 1.00 33.54 H new ATOM 0 HB3 ALA A 105 -2.854 -7.589 -8.529 1.00 33.54 H new ATOM 1679 N LEU A 106 -2.767 -4.778 -8.243 1.00 52.11 N ATOM 1680 CA LEU A 106 -3.395 -3.645 -7.589 1.00 64.30 C ATOM 1681 C LEU A 106 -2.835 -2.319 -8.135 1.00 13.53 C ATOM 1682 O LEU A 106 -3.574 -1.353 -8.297 1.00 1.35 O ATOM 1683 CB LEU A 106 -3.227 -3.767 -6.055 1.00 63.10 C ATOM 1684 CG LEU A 106 -3.765 -2.620 -5.165 1.00 2.10 C ATOM 1685 CD1 LEU A 106 -5.221 -2.328 -5.445 1.00 55.23 C ATOM 1686 CD2 LEU A 106 -3.606 -2.991 -3.705 1.00 75.45 C ATOM 0 H LEU A 106 -2.184 -5.347 -7.629 1.00 52.11 H new ATOM 0 HA LEU A 106 -4.463 -3.647 -7.808 1.00 64.30 H new ATOM 0 HB2 LEU A 106 -3.714 -4.689 -5.739 1.00 63.10 H new ATOM 0 HB3 LEU A 106 -2.163 -3.880 -5.845 1.00 63.10 H new ATOM 0 HG LEU A 106 -3.188 -1.725 -5.395 1.00 2.10 H new ATOM 0 HD11 LEU A 106 -5.560 -1.517 -4.800 1.00 55.23 H new ATOM 0 HD12 LEU A 106 -5.339 -2.035 -6.488 1.00 55.23 H new ATOM 0 HD13 LEU A 106 -5.815 -3.220 -5.249 1.00 55.23 H new ATOM 0 HD21 LEU A 106 -3.985 -2.182 -3.081 1.00 75.45 H new ATOM 0 HD22 LEU A 106 -4.167 -3.903 -3.498 1.00 75.45 H new ATOM 0 HD23 LEU A 106 -2.551 -3.156 -3.484 1.00 75.45 H new ATOM 1698 N SER A 107 -1.559 -2.310 -8.487 1.00 71.41 N ATOM 1699 CA SER A 107 -0.914 -1.115 -9.022 1.00 62.14 C ATOM 1700 C SER A 107 -1.332 -0.827 -10.469 1.00 65.24 C ATOM 1701 O SER A 107 -1.242 0.312 -10.926 1.00 33.51 O ATOM 1702 CB SER A 107 0.598 -1.233 -8.919 1.00 63.23 C ATOM 1703 OG SER A 107 0.988 -1.400 -7.574 1.00 54.24 O ATOM 0 H SER A 107 -0.944 -3.120 -8.412 1.00 71.41 H new ATOM 0 HA SER A 107 -1.247 -0.272 -8.416 1.00 62.14 H new ATOM 0 HB2 SER A 107 0.944 -2.079 -9.512 1.00 63.23 H new ATOM 0 HB3 SER A 107 1.068 -0.340 -9.332 1.00 63.23 H new ATOM 0 HG SER A 107 1.155 -2.349 -7.397 1.00 54.24 H new ATOM 1709 N SER A 108 -1.779 -1.855 -11.185 1.00 35.04 N ATOM 1710 CA SER A 108 -2.248 -1.678 -12.542 1.00 20.21 C ATOM 1711 C SER A 108 -3.496 -0.806 -12.559 1.00 42.43 C ATOM 1712 O SER A 108 -3.637 0.078 -13.403 1.00 64.52 O ATOM 1713 CB SER A 108 -2.517 -3.032 -13.204 1.00 11.15 C ATOM 1714 OG SER A 108 -1.333 -3.826 -13.238 1.00 33.12 O ATOM 0 H SER A 108 -1.823 -2.815 -10.843 1.00 35.04 H new ATOM 0 HA SER A 108 -1.470 -1.175 -13.115 1.00 20.21 H new ATOM 0 HB2 SER A 108 -3.298 -3.560 -12.657 1.00 11.15 H new ATOM 0 HB3 SER A 108 -2.886 -2.879 -14.218 1.00 11.15 H new ATOM 0 HG SER A 108 -1.016 -3.980 -12.324 1.00 33.12 H new ATOM 1720 N VAL A 109 -4.369 -1.030 -11.599 1.00 75.12 N ATOM 1721 CA VAL A 109 -5.577 -0.242 -11.488 1.00 14.14 C ATOM 1722 C VAL A 109 -5.274 1.056 -10.738 1.00 50.15 C ATOM 1723 O VAL A 109 -5.766 2.135 -11.093 1.00 22.22 O ATOM 1724 CB VAL A 109 -6.703 -1.024 -10.763 1.00 40.02 C ATOM 1725 CG1 VAL A 109 -7.980 -0.195 -10.665 1.00 33.12 C ATOM 1726 CG2 VAL A 109 -6.982 -2.339 -11.475 1.00 3.12 C ATOM 0 H VAL A 109 -4.264 -1.751 -10.885 1.00 75.12 H new ATOM 0 HA VAL A 109 -5.928 -0.013 -12.494 1.00 14.14 H new ATOM 0 HB VAL A 109 -6.361 -1.237 -9.750 1.00 40.02 H new ATOM 0 HG11 VAL A 109 -8.750 -0.772 -10.152 1.00 33.12 H new ATOM 0 HG12 VAL A 109 -7.778 0.719 -10.107 1.00 33.12 H new ATOM 0 HG13 VAL A 109 -8.326 0.061 -11.667 1.00 33.12 H new ATOM 0 HG21 VAL A 109 -7.775 -2.875 -10.953 1.00 3.12 H new ATOM 0 HG22 VAL A 109 -7.294 -2.139 -12.500 1.00 3.12 H new ATOM 0 HG23 VAL A 109 -6.078 -2.947 -11.483 1.00 3.12 H new ATOM 1736 N SER A 110 -4.440 0.960 -9.730 1.00 53.53 N ATOM 1737 CA SER A 110 -4.090 2.099 -8.930 1.00 0.22 C ATOM 1738 C SER A 110 -2.983 2.928 -9.598 1.00 71.14 C ATOM 1739 O SER A 110 -1.793 2.831 -9.257 1.00 24.31 O ATOM 1740 CB SER A 110 -3.689 1.654 -7.532 1.00 4.11 C ATOM 1741 OG SER A 110 -4.682 0.801 -6.993 1.00 22.05 O ATOM 0 H SER A 110 -3.988 0.091 -9.446 1.00 53.53 H new ATOM 0 HA SER A 110 -4.964 2.744 -8.844 1.00 0.22 H new ATOM 0 HB2 SER A 110 -2.731 1.134 -7.567 1.00 4.11 H new ATOM 0 HB3 SER A 110 -3.556 2.524 -6.888 1.00 4.11 H new ATOM 0 HG SER A 110 -4.535 -0.114 -7.311 1.00 22.05 H new ATOM 1747 N GLU A 111 -3.381 3.675 -10.593 1.00 72.12 N ATOM 1748 CA GLU A 111 -2.503 4.554 -11.309 1.00 1.32 C ATOM 1749 C GLU A 111 -2.173 5.724 -10.386 1.00 22.21 C ATOM 1750 O GLU A 111 -3.075 6.327 -9.789 1.00 15.52 O ATOM 1751 CB GLU A 111 -3.210 4.998 -12.622 1.00 64.41 C ATOM 1752 CG GLU A 111 -2.368 5.780 -13.650 1.00 20.42 C ATOM 1753 CD GLU A 111 -2.025 7.186 -13.232 1.00 10.23 C ATOM 1754 OE1 GLU A 111 -2.940 8.033 -13.185 1.00 32.22 O ATOM 1755 OE2 GLU A 111 -0.844 7.474 -12.958 1.00 74.14 O ATOM 0 H GLU A 111 -4.343 3.688 -10.933 1.00 72.12 H new ATOM 0 HA GLU A 111 -1.568 4.072 -11.595 1.00 1.32 H new ATOM 0 HB2 GLU A 111 -3.599 4.106 -13.113 1.00 64.41 H new ATOM 0 HB3 GLU A 111 -4.068 5.613 -12.351 1.00 64.41 H new ATOM 0 HG2 GLU A 111 -1.443 5.233 -13.836 1.00 20.42 H new ATOM 0 HG3 GLU A 111 -2.912 5.817 -14.594 1.00 20.42 H new ATOM 1762 N GLY A 112 -0.905 5.994 -10.227 1.00 70.22 N ATOM 1763 CA GLY A 112 -0.458 7.080 -9.383 1.00 65.21 C ATOM 1764 C GLY A 112 0.148 6.567 -8.105 1.00 21.02 C ATOM 1765 O GLY A 112 0.720 7.321 -7.328 1.00 54.11 O ATOM 0 H GLY A 112 -0.152 5.472 -10.675 1.00 70.22 H new ATOM 0 HA2 GLY A 112 0.275 7.682 -9.920 1.00 65.21 H new ATOM 0 HA3 GLY A 112 -1.299 7.734 -9.152 1.00 65.21 H new ATOM 1769 N TYR A 113 0.009 5.283 -7.893 1.00 4.21 N ATOM 1770 CA TYR A 113 0.520 4.632 -6.709 1.00 14.03 C ATOM 1771 C TYR A 113 1.818 3.940 -7.012 1.00 0.23 C ATOM 1772 O TYR A 113 1.927 3.214 -8.009 1.00 75.24 O ATOM 1773 CB TYR A 113 -0.494 3.622 -6.160 1.00 51.10 C ATOM 1774 CG TYR A 113 -1.775 4.235 -5.632 1.00 20.55 C ATOM 1775 CD1 TYR A 113 -2.711 4.802 -6.491 1.00 2.44 C ATOM 1776 CD2 TYR A 113 -2.053 4.236 -4.277 1.00 74.52 C ATOM 1777 CE1 TYR A 113 -3.875 5.351 -6.017 1.00 35.50 C ATOM 1778 CE2 TYR A 113 -3.220 4.784 -3.794 1.00 24.55 C ATOM 1779 CZ TYR A 113 -4.128 5.341 -4.670 1.00 13.23 C ATOM 1780 OH TYR A 113 -5.288 5.894 -4.196 1.00 53.43 O ATOM 0 H TYR A 113 -0.465 4.654 -8.541 1.00 4.21 H new ATOM 0 HA TYR A 113 0.692 5.396 -5.951 1.00 14.03 H new ATOM 0 HB2 TYR A 113 -0.745 2.914 -6.950 1.00 51.10 H new ATOM 0 HB3 TYR A 113 -0.022 3.053 -5.359 1.00 51.10 H new ATOM 0 HD1 TYR A 113 -2.517 4.810 -7.553 1.00 2.44 H new ATOM 0 HD2 TYR A 113 -1.344 3.801 -3.588 1.00 74.52 H new ATOM 0 HE1 TYR A 113 -4.588 5.788 -6.701 1.00 35.50 H new ATOM 0 HE2 TYR A 113 -3.424 4.778 -2.733 1.00 24.55 H new ATOM 0 HH TYR A 113 -5.983 5.837 -4.885 1.00 53.43 H new ATOM 1790 N LEU A 114 2.798 4.195 -6.190 1.00 3.24 N ATOM 1791 CA LEU A 114 4.086 3.541 -6.287 1.00 3.04 C ATOM 1792 C LEU A 114 4.118 2.354 -5.334 1.00 74.51 C ATOM 1793 O LEU A 114 4.074 2.546 -4.113 1.00 5.43 O ATOM 1794 CB LEU A 114 5.218 4.518 -5.928 1.00 20.42 C ATOM 1795 CG LEU A 114 5.386 5.736 -6.841 1.00 72.10 C ATOM 1796 CD1 LEU A 114 6.469 6.658 -6.299 1.00 71.31 C ATOM 1797 CD2 LEU A 114 5.734 5.297 -8.254 1.00 41.10 C ATOM 0 H LEU A 114 2.731 4.867 -5.426 1.00 3.24 H new ATOM 0 HA LEU A 114 4.233 3.201 -7.312 1.00 3.04 H new ATOM 0 HB2 LEU A 114 5.051 4.874 -4.911 1.00 20.42 H new ATOM 0 HB3 LEU A 114 6.157 3.964 -5.922 1.00 20.42 H new ATOM 0 HG LEU A 114 4.442 6.280 -6.867 1.00 72.10 H new ATOM 0 HD11 LEU A 114 6.577 7.519 -6.958 1.00 71.31 H new ATOM 0 HD12 LEU A 114 6.192 6.998 -5.301 1.00 71.31 H new ATOM 0 HD13 LEU A 114 7.415 6.118 -6.249 1.00 71.31 H new ATOM 0 HD21 LEU A 114 5.850 6.175 -8.890 1.00 41.10 H new ATOM 0 HD22 LEU A 114 6.667 4.733 -8.241 1.00 41.10 H new ATOM 0 HD23 LEU A 114 4.935 4.668 -8.647 1.00 41.10 H new ATOM 1809 N PRO A 115 4.137 1.118 -5.853 1.00 75.43 N ATOM 1810 CA PRO A 115 4.182 -0.067 -5.011 1.00 64.34 C ATOM 1811 C PRO A 115 5.554 -0.270 -4.372 1.00 10.32 C ATOM 1812 O PRO A 115 6.564 -0.476 -5.063 1.00 74.24 O ATOM 1813 CB PRO A 115 3.847 -1.217 -5.960 1.00 34.32 C ATOM 1814 CG PRO A 115 4.211 -0.725 -7.321 1.00 72.12 C ATOM 1815 CD PRO A 115 4.092 0.779 -7.291 1.00 63.42 C ATOM 0 HA PRO A 115 3.488 0.009 -4.174 1.00 64.34 H new ATOM 0 HB2 PRO A 115 4.409 -2.115 -5.703 1.00 34.32 H new ATOM 0 HB3 PRO A 115 2.790 -1.476 -5.906 1.00 34.32 H new ATOM 0 HG2 PRO A 115 5.225 -1.027 -7.582 1.00 72.12 H new ATOM 0 HG3 PRO A 115 3.548 -1.150 -8.075 1.00 72.12 H new ATOM 0 HD2 PRO A 115 4.907 1.254 -7.838 1.00 63.42 H new ATOM 0 HD3 PRO A 115 3.162 1.114 -7.750 1.00 63.42 H new ATOM 1823 N ILE A 116 5.591 -0.205 -3.072 1.00 41.11 N ATOM 1824 CA ILE A 116 6.799 -0.390 -2.328 1.00 42.01 C ATOM 1825 C ILE A 116 6.555 -1.489 -1.306 1.00 64.14 C ATOM 1826 O ILE A 116 5.494 -1.545 -0.677 1.00 10.42 O ATOM 1827 CB ILE A 116 7.301 0.930 -1.623 1.00 61.10 C ATOM 1828 CG1 ILE A 116 6.340 1.398 -0.517 1.00 12.44 C ATOM 1829 CG2 ILE A 116 7.469 2.047 -2.657 1.00 14.54 C ATOM 1830 CD1 ILE A 116 6.875 2.551 0.320 1.00 71.43 C ATOM 0 H ILE A 116 4.772 -0.020 -2.494 1.00 41.11 H new ATOM 0 HA ILE A 116 7.593 -0.671 -3.020 1.00 42.01 H new ATOM 0 HB ILE A 116 8.261 0.703 -1.159 1.00 61.10 H new ATOM 0 HG12 ILE A 116 5.397 1.700 -0.973 1.00 12.44 H new ATOM 0 HG13 ILE A 116 6.121 0.556 0.140 1.00 12.44 H new ATOM 0 HG21 ILE A 116 7.816 2.953 -2.160 1.00 14.54 H new ATOM 0 HG22 ILE A 116 8.199 1.742 -3.407 1.00 14.54 H new ATOM 0 HG23 ILE A 116 6.512 2.242 -3.141 1.00 14.54 H new ATOM 0 HD11 ILE A 116 6.140 2.823 1.077 1.00 71.43 H new ATOM 0 HD12 ILE A 116 7.802 2.248 0.807 1.00 71.43 H new ATOM 0 HD13 ILE A 116 7.067 3.409 -0.324 1.00 71.43 H new ATOM 1842 N GLN A 117 7.469 -2.391 -1.182 1.00 22.13 N ATOM 1843 CA GLN A 117 7.287 -3.475 -0.263 1.00 11.30 C ATOM 1844 C GLN A 117 8.042 -3.183 1.005 1.00 15.32 C ATOM 1845 O GLN A 117 9.002 -2.399 0.996 1.00 54.54 O ATOM 1846 CB GLN A 117 7.760 -4.832 -0.835 1.00 31.40 C ATOM 1847 CG GLN A 117 7.066 -5.338 -2.113 1.00 1.51 C ATOM 1848 CD GLN A 117 7.489 -4.604 -3.375 1.00 30.41 C ATOM 1849 OE1 GLN A 117 8.463 -4.972 -4.004 1.00 4.41 O ATOM 1850 NE2 GLN A 117 6.726 -3.638 -3.809 1.00 44.25 N ATOM 0 H GLN A 117 8.347 -2.404 -1.700 1.00 22.13 H new ATOM 0 HA GLN A 117 6.217 -3.559 -0.070 1.00 11.30 H new ATOM 0 HB2 GLN A 117 8.829 -4.759 -1.037 1.00 31.40 H new ATOM 0 HB3 GLN A 117 7.633 -5.588 -0.060 1.00 31.40 H new ATOM 0 HG2 GLN A 117 7.278 -6.400 -2.234 1.00 1.51 H new ATOM 0 HG3 GLN A 117 5.987 -5.240 -1.992 1.00 1.51 H new ATOM 0 HE21 GLN A 117 5.914 -3.346 -3.265 1.00 44.25 H new ATOM 0 HE22 GLN A 117 6.942 -3.175 -4.692 1.00 44.25 H new ATOM 1859 N ALA A 118 7.589 -3.742 2.089 1.00 53.23 N ATOM 1860 CA ALA A 118 8.305 -3.655 3.318 1.00 3.51 C ATOM 1861 C ALA A 118 8.524 -5.053 3.832 1.00 5.11 C ATOM 1862 O ALA A 118 7.571 -5.809 4.005 1.00 31.14 O ATOM 1863 CB ALA A 118 7.524 -2.843 4.320 1.00 72.14 C ATOM 0 H ALA A 118 6.716 -4.268 2.141 1.00 53.23 H new ATOM 0 HA ALA A 118 9.264 -3.161 3.161 1.00 3.51 H new ATOM 0 HB1 ALA A 118 8.082 -2.784 5.255 1.00 72.14 H new ATOM 0 HB2 ALA A 118 7.364 -1.838 3.929 1.00 72.14 H new ATOM 0 HB3 ALA A 118 6.560 -3.319 4.502 1.00 72.14 H new ATOM 1869 N ASN A 119 9.766 -5.396 4.063 1.00 13.31 N ATOM 1870 CA ASN A 119 10.132 -6.733 4.555 1.00 62.02 C ATOM 1871 C ASN A 119 10.228 -6.685 6.057 1.00 10.53 C ATOM 1872 O ASN A 119 10.011 -7.681 6.762 1.00 20.42 O ATOM 1873 CB ASN A 119 11.485 -7.207 3.954 1.00 71.13 C ATOM 1874 CG ASN A 119 11.464 -7.531 2.445 1.00 63.24 C ATOM 1875 OD1 ASN A 119 12.238 -8.366 1.967 1.00 40.04 O ATOM 1876 ND2 ASN A 119 10.602 -6.895 1.689 1.00 42.13 N ATOM 0 H ASN A 119 10.560 -4.772 3.921 1.00 13.31 H new ATOM 0 HA ASN A 119 9.366 -7.444 4.246 1.00 62.02 H new ATOM 0 HB2 ASN A 119 12.232 -6.434 4.132 1.00 71.13 H new ATOM 0 HB3 ASN A 119 11.811 -8.096 4.494 1.00 71.13 H new ATOM 0 HD21 ASN A 119 10.563 -7.087 0.688 1.00 42.13 H new ATOM 0 HD22 ASN A 119 9.971 -6.209 2.102 1.00 42.13 H new ATOM 1883 N ASP A 120 10.517 -5.509 6.541 1.00 60.12 N ATOM 1884 CA ASP A 120 10.652 -5.249 7.938 1.00 10.15 C ATOM 1885 C ASP A 120 9.620 -4.179 8.252 1.00 52.43 C ATOM 1886 O ASP A 120 8.937 -3.677 7.347 1.00 25.10 O ATOM 1887 CB ASP A 120 12.083 -4.706 8.226 1.00 4.05 C ATOM 1888 CG ASP A 120 12.543 -4.774 9.694 1.00 50.43 C ATOM 1889 OD1 ASP A 120 11.804 -4.368 10.612 1.00 31.13 O ATOM 1890 OD2 ASP A 120 13.683 -5.202 9.934 1.00 4.14 O ATOM 0 H ASP A 120 10.668 -4.687 5.956 1.00 60.12 H new ATOM 0 HA ASP A 120 10.503 -6.144 8.542 1.00 10.15 H new ATOM 0 HB2 ASP A 120 12.793 -5.265 7.616 1.00 4.05 H new ATOM 0 HB3 ASP A 120 12.130 -3.668 7.898 1.00 4.05 H new ATOM 1895 N GLU A 121 9.535 -3.815 9.480 1.00 53.13 N ATOM 1896 CA GLU A 121 8.651 -2.793 9.953 1.00 75.23 C ATOM 1897 C GLU A 121 9.149 -1.420 9.460 1.00 25.24 C ATOM 1898 O GLU A 121 8.383 -0.467 9.362 1.00 54.04 O ATOM 1899 CB GLU A 121 8.661 -2.826 11.463 1.00 73.22 C ATOM 1900 CG GLU A 121 7.689 -1.899 12.127 1.00 23.01 C ATOM 1901 CD GLU A 121 8.055 -1.677 13.550 1.00 61.12 C ATOM 1902 OE1 GLU A 121 8.071 -2.636 14.325 1.00 50.41 O ATOM 1903 OE2 GLU A 121 8.426 -0.537 13.893 1.00 55.11 O ATOM 0 H GLU A 121 10.099 -4.234 10.219 1.00 53.13 H new ATOM 0 HA GLU A 121 7.640 -2.958 9.580 1.00 75.23 H new ATOM 0 HB2 GLU A 121 8.449 -3.844 11.790 1.00 73.22 H new ATOM 0 HB3 GLU A 121 9.665 -2.583 11.809 1.00 73.22 H new ATOM 0 HG2 GLU A 121 7.671 -0.946 11.599 1.00 23.01 H new ATOM 0 HG3 GLU A 121 6.684 -2.316 12.067 1.00 23.01 H new ATOM 1910 N SER A 122 10.434 -1.359 9.149 1.00 42.31 N ATOM 1911 CA SER A 122 11.108 -0.157 8.704 1.00 32.14 C ATOM 1912 C SER A 122 10.443 0.462 7.460 1.00 64.30 C ATOM 1913 O SER A 122 10.273 1.674 7.393 1.00 1.31 O ATOM 1914 CB SER A 122 12.540 -0.517 8.387 1.00 32.04 C ATOM 1915 OG SER A 122 13.073 -1.330 9.414 1.00 14.23 O ATOM 0 H SER A 122 11.051 -2.169 9.202 1.00 42.31 H new ATOM 0 HA SER A 122 11.051 0.588 9.498 1.00 32.14 H new ATOM 0 HB2 SER A 122 12.589 -1.043 7.433 1.00 32.04 H new ATOM 0 HB3 SER A 122 13.137 0.389 8.282 1.00 32.04 H new ATOM 0 HG SER A 122 14.001 -1.561 9.200 1.00 14.23 H new ATOM 1921 N GLY A 123 10.040 -0.376 6.499 1.00 15.35 N ATOM 1922 CA GLY A 123 9.415 0.118 5.278 1.00 12.05 C ATOM 1923 C GLY A 123 7.973 0.523 5.491 1.00 4.23 C ATOM 1924 O GLY A 123 7.335 1.069 4.602 1.00 50.12 O ATOM 0 H GLY A 123 10.136 -1.390 6.546 1.00 15.35 H new ATOM 0 HA2 GLY A 123 9.978 0.973 4.905 1.00 12.05 H new ATOM 0 HA3 GLY A 123 9.463 -0.654 4.510 1.00 12.05 H new ATOM 1928 N LEU A 124 7.471 0.226 6.664 1.00 51.25 N ATOM 1929 CA LEU A 124 6.125 0.574 7.060 1.00 1.35 C ATOM 1930 C LEU A 124 6.189 1.800 7.954 1.00 13.41 C ATOM 1931 O LEU A 124 5.173 2.318 8.416 1.00 14.35 O ATOM 1932 CB LEU A 124 5.532 -0.600 7.831 1.00 1.12 C ATOM 1933 CG LEU A 124 5.482 -1.921 7.071 1.00 61.43 C ATOM 1934 CD1 LEU A 124 5.196 -3.066 8.015 1.00 54.23 C ATOM 1935 CD2 LEU A 124 4.431 -1.862 5.972 1.00 52.24 C ATOM 0 H LEU A 124 7.994 -0.273 7.384 1.00 51.25 H new ATOM 0 HA LEU A 124 5.505 0.790 6.190 1.00 1.35 H new ATOM 0 HB2 LEU A 124 6.113 -0.746 8.742 1.00 1.12 H new ATOM 0 HB3 LEU A 124 4.519 -0.338 8.137 1.00 1.12 H new ATOM 0 HG LEU A 124 6.455 -2.090 6.610 1.00 61.43 H new ATOM 0 HD11 LEU A 124 5.164 -4.000 7.455 1.00 54.23 H new ATOM 0 HD12 LEU A 124 5.982 -3.121 8.768 1.00 54.23 H new ATOM 0 HD13 LEU A 124 4.236 -2.903 8.504 1.00 54.23 H new ATOM 0 HD21 LEU A 124 4.408 -2.813 5.439 1.00 52.24 H new ATOM 0 HD22 LEU A 124 3.453 -1.670 6.414 1.00 52.24 H new ATOM 0 HD23 LEU A 124 4.678 -1.061 5.275 1.00 52.24 H new ATOM 1947 N ASP A 125 7.397 2.251 8.194 1.00 42.53 N ATOM 1948 CA ASP A 125 7.651 3.386 9.037 1.00 31.35 C ATOM 1949 C ASP A 125 8.194 4.479 8.146 1.00 35.02 C ATOM 1950 O ASP A 125 8.787 4.180 7.106 1.00 1.41 O ATOM 1951 CB ASP A 125 8.681 3.016 10.118 1.00 2.20 C ATOM 1952 CG ASP A 125 8.800 4.046 11.223 1.00 4.01 C ATOM 1953 OD1 ASP A 125 9.394 5.125 11.009 1.00 73.31 O ATOM 1954 OD2 ASP A 125 8.287 3.786 12.343 1.00 34.13 O ATOM 0 H ASP A 125 8.240 1.832 7.802 1.00 42.53 H new ATOM 0 HA ASP A 125 6.742 3.714 9.542 1.00 31.35 H new ATOM 0 HB2 ASP A 125 8.406 2.056 10.556 1.00 2.20 H new ATOM 0 HB3 ASP A 125 9.656 2.885 9.649 1.00 2.20 H new ATOM 1959 N ALA A 126 8.034 5.720 8.544 1.00 63.12 N ATOM 1960 CA ALA A 126 8.413 6.860 7.720 1.00 21.43 C ATOM 1961 C ALA A 126 9.892 6.850 7.317 1.00 13.34 C ATOM 1962 O ALA A 126 10.234 7.354 6.243 1.00 62.31 O ATOM 1963 CB ALA A 126 8.052 8.167 8.408 1.00 64.14 C ATOM 0 H ALA A 126 7.637 5.975 9.448 1.00 63.12 H new ATOM 0 HA ALA A 126 7.841 6.774 6.796 1.00 21.43 H new ATOM 0 HB1 ALA A 126 8.344 9.004 7.774 1.00 64.14 H new ATOM 0 HB2 ALA A 126 6.977 8.202 8.582 1.00 64.14 H new ATOM 0 HB3 ALA A 126 8.576 8.233 9.361 1.00 64.14 H new ATOM 1969 N GLU A 127 10.750 6.235 8.151 1.00 15.21 N ATOM 1970 CA GLU A 127 12.191 6.202 7.894 1.00 64.31 C ATOM 1971 C GLU A 127 12.542 5.630 6.513 1.00 25.34 C ATOM 1972 O GLU A 127 13.181 6.308 5.700 1.00 4.55 O ATOM 1973 CB GLU A 127 12.972 5.471 9.007 1.00 31.23 C ATOM 1974 CG GLU A 127 12.555 4.031 9.282 1.00 51.33 C ATOM 1975 CD GLU A 127 13.454 3.369 10.291 1.00 74.35 C ATOM 1976 OE1 GLU A 127 13.195 3.499 11.508 1.00 34.05 O ATOM 1977 OE2 GLU A 127 14.443 2.712 9.890 1.00 31.24 O ATOM 0 H GLU A 127 10.466 5.757 9.006 1.00 15.21 H new ATOM 0 HA GLU A 127 12.507 7.245 7.898 1.00 64.31 H new ATOM 0 HB2 GLU A 127 14.030 5.478 8.745 1.00 31.23 H new ATOM 0 HB3 GLU A 127 12.868 6.041 9.930 1.00 31.23 H new ATOM 0 HG2 GLU A 127 11.527 4.014 9.645 1.00 51.33 H new ATOM 0 HG3 GLU A 127 12.574 3.464 8.352 1.00 51.33 H new ATOM 1984 N GLU A 128 12.091 4.427 6.235 1.00 13.01 N ATOM 1985 CA GLU A 128 12.382 3.799 4.976 1.00 64.32 C ATOM 1986 C GLU A 128 11.517 4.296 3.875 1.00 21.04 C ATOM 1987 O GLU A 128 11.958 4.338 2.741 1.00 13.52 O ATOM 1988 CB GLU A 128 12.347 2.292 5.071 1.00 31.03 C ATOM 1989 CG GLU A 128 13.655 1.696 5.515 1.00 64.34 C ATOM 1990 CD GLU A 128 14.717 1.883 4.462 1.00 22.42 C ATOM 1991 OE1 GLU A 128 14.776 1.063 3.529 1.00 10.24 O ATOM 1992 OE2 GLU A 128 15.516 2.841 4.543 1.00 41.11 O ATOM 0 H GLU A 128 11.521 3.867 6.869 1.00 13.01 H new ATOM 0 HA GLU A 128 13.404 4.085 4.725 1.00 64.32 H new ATOM 0 HB2 GLU A 128 11.565 1.996 5.770 1.00 31.03 H new ATOM 0 HB3 GLU A 128 12.078 1.879 4.099 1.00 31.03 H new ATOM 0 HG2 GLU A 128 13.975 2.164 6.446 1.00 64.34 H new ATOM 0 HG3 GLU A 128 13.524 0.634 5.720 1.00 64.34 H new ATOM 1999 N ILE A 129 10.295 4.695 4.204 1.00 24.01 N ATOM 2000 CA ILE A 129 9.377 5.203 3.195 1.00 72.53 C ATOM 2001 C ILE A 129 9.990 6.415 2.486 1.00 55.42 C ATOM 2002 O ILE A 129 10.134 6.411 1.270 1.00 21.55 O ATOM 2003 CB ILE A 129 7.982 5.569 3.777 1.00 13.43 C ATOM 2004 CG1 ILE A 129 7.328 4.343 4.422 1.00 11.21 C ATOM 2005 CG2 ILE A 129 7.085 6.101 2.674 1.00 12.30 C ATOM 2006 CD1 ILE A 129 5.990 4.627 5.087 1.00 32.33 C ATOM 0 H ILE A 129 9.920 4.677 5.152 1.00 24.01 H new ATOM 0 HA ILE A 129 9.218 4.398 2.477 1.00 72.53 H new ATOM 0 HB ILE A 129 8.117 6.337 4.539 1.00 13.43 H new ATOM 0 HG12 ILE A 129 7.187 3.577 3.659 1.00 11.21 H new ATOM 0 HG13 ILE A 129 8.010 3.930 5.165 1.00 11.21 H new ATOM 0 HG21 ILE A 129 6.110 6.355 3.089 1.00 12.30 H new ATOM 0 HG22 ILE A 129 7.536 6.991 2.236 1.00 12.30 H new ATOM 0 HG23 ILE A 129 6.964 5.339 1.904 1.00 12.30 H new ATOM 0 HD11 ILE A 129 5.596 3.707 5.518 1.00 32.33 H new ATOM 0 HD12 ILE A 129 6.125 5.368 5.875 1.00 32.33 H new ATOM 0 HD13 ILE A 129 5.289 5.010 4.345 1.00 32.33 H new ATOM 2018 N ILE A 130 10.418 7.410 3.262 1.00 31.43 N ATOM 2019 CA ILE A 130 11.025 8.622 2.700 1.00 63.43 C ATOM 2020 C ILE A 130 12.277 8.262 1.892 1.00 64.31 C ATOM 2021 O ILE A 130 12.446 8.707 0.746 1.00 23.15 O ATOM 2022 CB ILE A 130 11.413 9.647 3.823 1.00 5.21 C ATOM 2023 CG1 ILE A 130 10.171 10.078 4.623 1.00 23.21 C ATOM 2024 CG2 ILE A 130 12.101 10.875 3.222 1.00 31.01 C ATOM 2025 CD1 ILE A 130 10.473 10.970 5.811 1.00 14.54 C ATOM 0 H ILE A 130 10.357 7.404 4.280 1.00 31.43 H new ATOM 0 HA ILE A 130 10.284 9.086 2.049 1.00 63.43 H new ATOM 0 HB ILE A 130 12.109 9.153 4.501 1.00 5.21 H new ATOM 0 HG12 ILE A 130 9.487 10.601 3.955 1.00 23.21 H new ATOM 0 HG13 ILE A 130 9.653 9.186 4.975 1.00 23.21 H new ATOM 0 HG21 ILE A 130 12.361 11.572 4.018 1.00 31.01 H new ATOM 0 HG22 ILE A 130 13.007 10.566 2.700 1.00 31.01 H new ATOM 0 HG23 ILE A 130 11.426 11.363 2.519 1.00 31.01 H new ATOM 0 HD11 ILE A 130 9.543 11.227 6.319 1.00 14.54 H new ATOM 0 HD12 ILE A 130 11.131 10.444 6.503 1.00 14.54 H new ATOM 0 HD13 ILE A 130 10.962 11.881 5.467 1.00 14.54 H new ATOM 2037 N ARG A 131 13.087 7.396 2.468 1.00 21.02 N ATOM 2038 CA ARG A 131 14.365 7.018 1.899 1.00 71.32 C ATOM 2039 C ARG A 131 14.179 6.268 0.563 1.00 23.15 C ATOM 2040 O ARG A 131 14.805 6.619 -0.446 1.00 30.42 O ATOM 2041 CB ARG A 131 15.125 6.160 2.952 1.00 21.22 C ATOM 2042 CG ARG A 131 16.628 5.914 2.715 1.00 61.13 C ATOM 2043 CD ARG A 131 16.924 4.955 1.578 1.00 42.24 C ATOM 2044 NE ARG A 131 16.365 3.616 1.803 1.00 31.01 N ATOM 2045 CZ ARG A 131 16.335 2.650 0.869 1.00 3.24 C ATOM 2046 NH1 ARG A 131 16.904 2.840 -0.325 1.00 12.01 N ATOM 2047 NH2 ARG A 131 15.763 1.497 1.135 1.00 22.10 N ATOM 0 H ARG A 131 12.875 6.931 3.351 1.00 21.02 H new ATOM 0 HA ARG A 131 14.953 7.906 1.666 1.00 71.32 H new ATOM 0 HB2 ARG A 131 15.011 6.641 3.924 1.00 21.22 H new ATOM 0 HB3 ARG A 131 14.631 5.190 3.016 1.00 21.22 H new ATOM 0 HG2 ARG A 131 17.114 6.868 2.508 1.00 61.13 H new ATOM 0 HG3 ARG A 131 17.071 5.523 3.631 1.00 61.13 H new ATOM 0 HD2 ARG A 131 16.519 5.362 0.651 1.00 42.24 H new ATOM 0 HD3 ARG A 131 18.003 4.876 1.447 1.00 42.24 H new ATOM 0 HE ARG A 131 15.976 3.407 2.723 1.00 31.01 H new ATOM 0 HH11 ARG A 131 17.367 3.725 -0.534 1.00 12.01 H new ATOM 0 HH12 ARG A 131 16.876 2.100 -1.027 1.00 12.01 H new ATOM 0 HH21 ARG A 131 15.342 1.336 2.050 1.00 22.10 H new ATOM 0 HH22 ARG A 131 15.740 0.764 0.426 1.00 22.10 H new ATOM 2061 N LYS A 132 13.313 5.269 0.542 1.00 44.51 N ATOM 2062 CA LYS A 132 13.137 4.490 -0.666 1.00 51.11 C ATOM 2063 C LYS A 132 12.351 5.226 -1.745 1.00 53.51 C ATOM 2064 O LYS A 132 12.686 5.123 -2.920 1.00 23.53 O ATOM 2065 CB LYS A 132 12.615 3.060 -0.402 1.00 2.31 C ATOM 2066 CG LYS A 132 11.181 2.928 0.109 1.00 54.53 C ATOM 2067 CD LYS A 132 10.908 1.498 0.595 1.00 11.05 C ATOM 2068 CE LYS A 132 11.162 0.455 -0.494 1.00 12.11 C ATOM 2069 NZ LYS A 132 11.076 -0.928 0.024 1.00 14.10 N ATOM 0 H LYS A 132 12.733 4.984 1.331 1.00 44.51 H new ATOM 0 HA LYS A 132 14.140 4.360 -1.073 1.00 51.11 H new ATOM 0 HB2 LYS A 132 12.698 2.493 -1.329 1.00 2.31 H new ATOM 0 HB3 LYS A 132 13.278 2.586 0.322 1.00 2.31 H new ATOM 0 HG2 LYS A 132 11.014 3.633 0.924 1.00 54.53 H new ATOM 0 HG3 LYS A 132 10.481 3.187 -0.685 1.00 54.53 H new ATOM 0 HD2 LYS A 132 11.541 1.282 1.456 1.00 11.05 H new ATOM 0 HD3 LYS A 132 9.874 1.423 0.933 1.00 11.05 H new ATOM 0 HE2 LYS A 132 10.436 0.586 -1.296 1.00 12.11 H new ATOM 0 HE3 LYS A 132 12.149 0.618 -0.927 1.00 12.11 H new ATOM 0 HZ1 LYS A 132 11.370 -1.595 -0.717 1.00 14.10 H new ATOM 0 HZ2 LYS A 132 11.701 -1.029 0.849 1.00 14.10 H new ATOM 0 HZ3 LYS A 132 10.096 -1.133 0.305 1.00 14.10 H new ATOM 2083 N VAL A 133 11.329 6.000 -1.352 1.00 51.24 N ATOM 2084 CA VAL A 133 10.517 6.728 -2.331 1.00 33.44 C ATOM 2085 C VAL A 133 11.362 7.746 -3.100 1.00 32.12 C ATOM 2086 O VAL A 133 11.190 7.902 -4.313 1.00 72.02 O ATOM 2087 CB VAL A 133 9.225 7.373 -1.718 1.00 51.54 C ATOM 2088 CG1 VAL A 133 8.464 8.194 -2.753 1.00 24.10 C ATOM 2089 CG2 VAL A 133 8.306 6.284 -1.180 1.00 3.11 C ATOM 0 H VAL A 133 11.050 6.135 -0.380 1.00 51.24 H new ATOM 0 HA VAL A 133 10.155 5.986 -3.043 1.00 33.44 H new ATOM 0 HB VAL A 133 9.539 8.035 -0.911 1.00 51.54 H new ATOM 0 HG11 VAL A 133 7.575 8.626 -2.293 1.00 24.10 H new ATOM 0 HG12 VAL A 133 9.104 8.993 -3.126 1.00 24.10 H new ATOM 0 HG13 VAL A 133 8.168 7.551 -3.581 1.00 24.10 H new ATOM 0 HG21 VAL A 133 7.411 6.740 -0.756 1.00 3.11 H new ATOM 0 HG22 VAL A 133 8.022 5.614 -1.991 1.00 3.11 H new ATOM 0 HG23 VAL A 133 8.826 5.718 -0.407 1.00 3.11 H new ATOM 2099 N ARG A 134 12.328 8.385 -2.416 1.00 3.11 N ATOM 2100 CA ARG A 134 13.266 9.290 -3.096 1.00 40.44 C ATOM 2101 C ARG A 134 14.000 8.550 -4.200 1.00 50.41 C ATOM 2102 O ARG A 134 14.119 9.046 -5.326 1.00 71.50 O ATOM 2103 CB ARG A 134 14.286 9.917 -2.129 1.00 14.00 C ATOM 2104 CG ARG A 134 13.738 11.023 -1.241 1.00 10.12 C ATOM 2105 CD ARG A 134 13.240 12.207 -2.073 1.00 32.01 C ATOM 2106 NE ARG A 134 14.298 12.810 -2.897 1.00 61.42 N ATOM 2107 CZ ARG A 134 14.138 13.293 -4.145 1.00 45.45 C ATOM 2108 NH1 ARG A 134 12.941 13.233 -4.759 1.00 23.24 N ATOM 2109 NH2 ARG A 134 15.174 13.838 -4.771 1.00 72.44 N ATOM 0 H ARG A 134 12.477 8.293 -1.411 1.00 3.11 H new ATOM 0 HA ARG A 134 12.674 10.101 -3.520 1.00 40.44 H new ATOM 0 HB2 ARG A 134 14.692 9.130 -1.494 1.00 14.00 H new ATOM 0 HB3 ARG A 134 15.116 10.317 -2.711 1.00 14.00 H new ATOM 0 HG2 ARG A 134 12.921 10.634 -0.633 1.00 10.12 H new ATOM 0 HG3 ARG A 134 14.514 11.359 -0.554 1.00 10.12 H new ATOM 0 HD2 ARG A 134 12.428 11.875 -2.719 1.00 32.01 H new ATOM 0 HD3 ARG A 134 12.828 12.965 -1.407 1.00 32.01 H new ATOM 0 HE ARG A 134 15.231 12.868 -2.490 1.00 61.42 H new ATOM 0 HH11 ARG A 134 12.142 12.818 -4.279 1.00 23.24 H new ATOM 0 HH12 ARG A 134 12.833 13.602 -5.704 1.00 23.24 H new ATOM 0 HH21 ARG A 134 16.081 13.888 -4.307 1.00 72.44 H new ATOM 0 HH22 ARG A 134 15.063 14.206 -5.716 1.00 72.44 H new ATOM 2123 N LEU A 135 14.429 7.345 -3.891 1.00 35.53 N ATOM 2124 CA LEU A 135 15.149 6.517 -4.828 1.00 55.31 C ATOM 2125 C LEU A 135 14.237 6.107 -5.994 1.00 1.42 C ATOM 2126 O LEU A 135 14.626 6.221 -7.157 1.00 42.11 O ATOM 2127 CB LEU A 135 15.716 5.287 -4.119 1.00 64.40 C ATOM 2128 CG LEU A 135 16.577 4.356 -4.965 1.00 43.43 C ATOM 2129 CD1 LEU A 135 17.837 5.066 -5.452 1.00 32.30 C ATOM 2130 CD2 LEU A 135 16.926 3.107 -4.185 1.00 33.11 C ATOM 0 H LEU A 135 14.286 6.913 -2.978 1.00 35.53 H new ATOM 0 HA LEU A 135 15.981 7.091 -5.236 1.00 55.31 H new ATOM 0 HB2 LEU A 135 16.310 5.625 -3.270 1.00 64.40 H new ATOM 0 HB3 LEU A 135 14.883 4.711 -3.716 1.00 64.40 H new ATOM 0 HG LEU A 135 16.002 4.063 -5.844 1.00 43.43 H new ATOM 0 HD11 LEU A 135 18.433 4.379 -6.053 1.00 32.30 H new ATOM 0 HD12 LEU A 135 17.558 5.929 -6.057 1.00 32.30 H new ATOM 0 HD13 LEU A 135 18.422 5.398 -4.594 1.00 32.30 H new ATOM 0 HD21 LEU A 135 17.541 2.452 -4.803 1.00 33.11 H new ATOM 0 HD22 LEU A 135 17.478 3.382 -3.286 1.00 33.11 H new ATOM 0 HD23 LEU A 135 16.011 2.586 -3.904 1.00 33.11 H new ATOM 2142 N HIS A 136 13.007 5.691 -5.678 1.00 43.13 N ATOM 2143 CA HIS A 136 12.024 5.286 -6.703 1.00 61.12 C ATOM 2144 C HIS A 136 11.689 6.450 -7.647 1.00 55.22 C ATOM 2145 O HIS A 136 11.417 6.249 -8.831 1.00 32.11 O ATOM 2146 CB HIS A 136 10.719 4.733 -6.078 1.00 11.44 C ATOM 2147 CG HIS A 136 10.879 3.477 -5.255 1.00 13.40 C ATOM 2148 ND1 HIS A 136 11.448 2.319 -5.722 1.00 70.24 N ATOM 2149 CD2 HIS A 136 10.527 3.222 -3.973 1.00 44.10 C ATOM 2150 CE1 HIS A 136 11.425 1.415 -4.739 1.00 30.23 C ATOM 2151 NE2 HIS A 136 10.875 1.914 -3.649 1.00 72.32 N ATOM 0 H HIS A 136 12.662 5.624 -4.720 1.00 43.13 H new ATOM 0 HA HIS A 136 12.492 4.485 -7.276 1.00 61.12 H new ATOM 0 HB2 HIS A 136 10.281 5.507 -5.448 1.00 11.44 H new ATOM 0 HB3 HIS A 136 10.008 4.534 -6.880 1.00 11.44 H new ATOM 0 HD1 HIS A 136 11.824 2.174 -6.659 1.00 70.24 H new ATOM 0 HD2 HIS A 136 10.050 3.924 -3.305 1.00 44.10 H new ATOM 0 HE1 HIS A 136 11.806 0.408 -4.825 1.00 30.23 H new