USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 850 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 29 TYR OH : rot 30:sc= 0.0835 USER MOD Set 1.2: A 97 THR OG1 : rot -106:sc= 0.66 USER MOD Set 2.1: A 57 CYS SG : rot -110:sc= -0.65 USER MOD Set 2.2: A 89 HIS : no HD1:sc= 0.0497 K(o=-0.6,f=-2.2) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -156:sc= -0.239 (180deg=-0.978) USER MOD Single : A 26 LYS NZ :NH3+ 152:sc= -0.126 (180deg=-0.703) USER MOD Single : A 27 LYS NZ :NH3+ 152:sc= -0.139 (180deg=-0.748) USER MOD Single : A 28 LYS NZ :NH3+ -142:sc= 0.217 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -3.54! C(o=-3.5!,f=-11!) USER MOD Single : A 39 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 123:sc= 0.82 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.169 X(o=-0.17,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl -165:sc= 0 (180deg=-0.0493) USER MOD Single : A 70 THR OG1 : rot -95:sc= -0.266 USER MOD Single : A 72 SER OG : rot 180:sc= -0.128 USER MOD Single : A 74 ASN : amide:sc= -0.11 K(o=-0.11,f=-0.9!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.0918 X(o=-0.092,f=0) USER MOD Single : A 81 THR OG1 : rot 74:sc= 0.869 USER MOD Single : A 83 CYS SG : rot 75:sc= 0.0935 USER MOD Single : A 87 CYS SG : rot 180:sc= -0.184 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 HIS : no HD1:sc= 0.288 K(o=0.29,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 102 N ARG A 9 5.037 7.895 -2.896 1.00 41.40 N ATOM 103 CA ARG A 9 6.030 8.652 -3.649 1.00 62.04 C ATOM 104 C ARG A 9 6.640 7.797 -4.756 1.00 53.35 C ATOM 105 O ARG A 9 6.244 6.650 -4.958 1.00 74.14 O ATOM 106 CB ARG A 9 7.132 9.159 -2.716 1.00 51.24 C ATOM 107 CG ARG A 9 6.632 10.121 -1.651 1.00 53.21 C ATOM 108 CD ARG A 9 7.779 10.886 -1.010 1.00 53.25 C ATOM 109 NE ARG A 9 7.389 11.498 0.258 1.00 21.04 N ATOM 110 CZ ARG A 9 8.258 11.933 1.163 1.00 73.40 C ATOM 111 NH1 ARG A 9 9.561 11.824 0.941 1.00 72.14 N ATOM 112 NH2 ARG A 9 7.826 12.478 2.293 1.00 21.13 N ATOM 0 HA ARG A 9 5.529 9.506 -4.106 1.00 62.04 H new ATOM 0 HB2 ARG A 9 7.606 8.306 -2.230 1.00 51.24 H new ATOM 0 HB3 ARG A 9 7.900 9.655 -3.310 1.00 51.24 H new ATOM 0 HG2 ARG A 9 5.928 10.824 -2.096 1.00 53.21 H new ATOM 0 HG3 ARG A 9 6.089 9.567 -0.885 1.00 53.21 H new ATOM 0 HD2 ARG A 9 8.617 10.210 -0.843 1.00 53.25 H new ATOM 0 HD3 ARG A 9 8.126 11.660 -1.695 1.00 53.25 H new ATOM 0 HE ARG A 9 6.394 11.597 0.459 1.00 21.04 H new ATOM 0 HH11 ARG A 9 9.897 11.405 0.074 1.00 72.14 H new ATOM 0 HH12 ARG A 9 10.227 12.159 1.637 1.00 72.14 H new ATOM 0 HH21 ARG A 9 6.825 12.563 2.468 1.00 21.13 H new ATOM 0 HH22 ARG A 9 8.495 12.811 2.987 1.00 21.13 H new ATOM 126 N GLY A 10 7.606 8.366 -5.472 1.00 21.23 N ATOM 127 CA GLY A 10 8.253 7.642 -6.550 1.00 73.01 C ATOM 128 C GLY A 10 9.267 6.633 -6.045 1.00 2.10 C ATOM 129 O GLY A 10 9.166 5.442 -6.337 1.00 73.11 O ATOM 0 H GLY A 10 7.951 9.314 -5.324 1.00 21.23 H new ATOM 0 HA2 GLY A 10 7.497 7.127 -7.143 1.00 73.01 H new ATOM 0 HA3 GLY A 10 8.749 8.351 -7.213 1.00 73.01 H new ATOM 133 N LYS A 11 10.246 7.111 -5.285 1.00 34.14 N ATOM 134 CA LYS A 11 11.284 6.245 -4.739 1.00 62.34 C ATOM 135 C LYS A 11 10.672 5.136 -3.888 1.00 71.42 C ATOM 136 O LYS A 11 11.116 3.988 -3.933 1.00 52.22 O ATOM 137 CB LYS A 11 12.269 7.060 -3.900 1.00 53.34 C ATOM 138 CG LYS A 11 13.671 6.477 -3.869 1.00 31.43 C ATOM 139 CD LYS A 11 13.971 5.815 -2.535 1.00 72.03 C ATOM 140 CE LYS A 11 15.223 4.954 -2.608 1.00 51.44 C ATOM 141 NZ LYS A 11 16.408 5.651 -2.036 1.00 31.21 N ATOM 0 H LYS A 11 10.342 8.095 -5.033 1.00 34.14 H new ATOM 0 HA LYS A 11 11.818 5.789 -5.573 1.00 62.34 H new ATOM 0 HB2 LYS A 11 12.316 8.075 -4.294 1.00 53.34 H new ATOM 0 HB3 LYS A 11 11.892 7.131 -2.880 1.00 53.34 H new ATOM 0 HG2 LYS A 11 13.780 5.747 -4.671 1.00 31.43 H new ATOM 0 HG3 LYS A 11 14.399 7.267 -4.056 1.00 31.43 H new ATOM 0 HD2 LYS A 11 14.098 6.580 -1.769 1.00 72.03 H new ATOM 0 HD3 LYS A 11 13.123 5.200 -2.234 1.00 72.03 H new ATOM 0 HE2 LYS A 11 15.055 4.022 -2.069 1.00 51.44 H new ATOM 0 HE3 LYS A 11 15.423 4.690 -3.647 1.00 51.44 H new ATOM 0 HZ1 LYS A 11 17.241 5.032 -2.104 1.00 31.21 H new ATOM 0 HZ2 LYS A 11 16.584 6.528 -2.566 1.00 31.21 H new ATOM 0 HZ3 LYS A 11 16.228 5.880 -1.038 1.00 31.21 H new ATOM 155 N LYS A 12 9.651 5.485 -3.115 1.00 65.14 N ATOM 156 CA LYS A 12 8.975 4.519 -2.255 1.00 21.22 C ATOM 157 C LYS A 12 8.143 3.544 -3.081 1.00 34.31 C ATOM 158 O LYS A 12 8.071 2.355 -2.770 1.00 44.42 O ATOM 159 CB LYS A 12 8.081 5.241 -1.246 1.00 44.52 C ATOM 160 CG LYS A 12 8.852 5.945 -0.143 1.00 64.31 C ATOM 161 CD LYS A 12 7.937 6.794 0.724 1.00 42.14 C ATOM 162 CE LYS A 12 8.730 7.658 1.692 1.00 13.42 C ATOM 163 NZ LYS A 12 8.003 8.908 2.044 1.00 3.42 N ATOM 0 H LYS A 12 9.272 6.431 -3.065 1.00 65.14 H new ATOM 0 HA LYS A 12 9.736 3.954 -1.717 1.00 21.22 H new ATOM 0 HB2 LYS A 12 7.469 5.973 -1.774 1.00 44.52 H new ATOM 0 HB3 LYS A 12 7.398 4.520 -0.797 1.00 44.52 H new ATOM 0 HG2 LYS A 12 9.359 5.205 0.477 1.00 64.31 H new ATOM 0 HG3 LYS A 12 9.625 6.575 -0.583 1.00 64.31 H new ATOM 0 HD2 LYS A 12 7.319 7.430 0.089 1.00 42.14 H new ATOM 0 HD3 LYS A 12 7.260 6.147 1.282 1.00 42.14 H new ATOM 0 HE2 LYS A 12 8.937 7.091 2.599 1.00 13.42 H new ATOM 0 HE3 LYS A 12 9.693 7.911 1.248 1.00 13.42 H new ATOM 0 HZ1 LYS A 12 8.685 9.632 2.348 1.00 3.42 H new ATOM 0 HZ2 LYS A 12 7.480 9.251 1.213 1.00 3.42 H new ATOM 0 HZ3 LYS A 12 7.335 8.715 2.818 1.00 3.42 H new ATOM 177 N ALA A 13 7.517 4.054 -4.138 1.00 51.33 N ATOM 178 CA ALA A 13 6.694 3.227 -5.010 1.00 24.12 C ATOM 179 C ALA A 13 7.456 1.992 -5.476 1.00 33.54 C ATOM 180 O ALA A 13 6.888 0.905 -5.587 1.00 40.23 O ATOM 181 CB ALA A 13 6.214 4.037 -6.206 1.00 33.31 C ATOM 0 H ALA A 13 7.565 5.036 -4.410 1.00 51.33 H new ATOM 0 HA ALA A 13 5.827 2.892 -4.440 1.00 24.12 H new ATOM 0 HB1 ALA A 13 5.600 3.407 -6.849 1.00 33.31 H new ATOM 0 HB2 ALA A 13 5.624 4.885 -5.858 1.00 33.31 H new ATOM 0 HB3 ALA A 13 7.074 4.400 -6.768 1.00 33.31 H new ATOM 187 N ASP A 14 8.745 2.166 -5.749 1.00 25.35 N ATOM 188 CA ASP A 14 9.585 1.064 -6.203 1.00 34.42 C ATOM 189 C ASP A 14 9.601 -0.066 -5.179 1.00 52.53 C ATOM 190 O ASP A 14 9.191 -1.188 -5.472 1.00 4.24 O ATOM 191 CB ASP A 14 11.011 1.555 -6.462 1.00 73.44 C ATOM 192 CG ASP A 14 11.561 1.066 -7.786 1.00 20.51 C ATOM 193 OD1 ASP A 14 10.887 1.264 -8.818 1.00 24.50 O ATOM 194 OD2 ASP A 14 12.666 0.483 -7.791 1.00 32.13 O ATOM 0 H ASP A 14 9.230 3.059 -5.664 1.00 25.35 H new ATOM 0 HA ASP A 14 9.166 0.680 -7.133 1.00 34.42 H new ATOM 0 HB2 ASP A 14 11.025 2.645 -6.447 1.00 73.44 H new ATOM 0 HB3 ASP A 14 11.661 1.216 -5.655 1.00 73.44 H new ATOM 199 N GLU A 15 10.079 0.239 -3.976 1.00 40.31 N ATOM 200 CA GLU A 15 10.149 -0.753 -2.909 1.00 42.35 C ATOM 201 C GLU A 15 8.789 -1.408 -2.684 1.00 10.22 C ATOM 202 O GLU A 15 8.705 -2.590 -2.349 1.00 42.45 O ATOM 203 CB GLU A 15 10.636 -0.104 -1.612 1.00 43.32 C ATOM 204 CG GLU A 15 12.089 -0.407 -1.287 1.00 63.25 C ATOM 205 CD GLU A 15 13.037 0.655 -1.807 1.00 32.25 C ATOM 206 OE1 GLU A 15 12.826 1.845 -1.496 1.00 64.14 O ATOM 207 OE2 GLU A 15 13.992 0.295 -2.528 1.00 44.31 O ATOM 0 H GLU A 15 10.423 1.164 -3.716 1.00 40.31 H new ATOM 0 HA GLU A 15 10.858 -1.524 -3.210 1.00 42.35 H new ATOM 0 HB2 GLU A 15 10.507 0.976 -1.685 1.00 43.32 H new ATOM 0 HB3 GLU A 15 10.010 -0.445 -0.788 1.00 43.32 H new ATOM 0 HG2 GLU A 15 12.205 -0.495 -0.207 1.00 63.25 H new ATOM 0 HG3 GLU A 15 12.360 -1.372 -1.716 1.00 63.25 H new ATOM 214 N LEU A 16 7.728 -0.632 -2.871 1.00 70.12 N ATOM 215 CA LEU A 16 6.370 -1.135 -2.688 1.00 74.20 C ATOM 216 C LEU A 16 6.012 -2.142 -3.777 1.00 12.44 C ATOM 217 O LEU A 16 5.497 -3.222 -3.491 1.00 2.01 O ATOM 218 CB LEU A 16 5.370 0.022 -2.699 1.00 54.41 C ATOM 219 CG LEU A 16 3.914 -0.346 -2.412 1.00 21.01 C ATOM 220 CD1 LEU A 16 3.237 -0.863 -3.671 1.00 20.34 C ATOM 221 CD2 LEU A 16 3.836 -1.381 -1.299 1.00 22.32 C ATOM 0 H LEU A 16 7.781 0.348 -3.149 1.00 70.12 H new ATOM 0 HA LEU A 16 6.322 -1.638 -1.722 1.00 74.20 H new ATOM 0 HB2 LEU A 16 5.689 0.759 -1.962 1.00 54.41 H new ATOM 0 HB3 LEU A 16 5.416 0.506 -3.675 1.00 54.41 H new ATOM 0 HG LEU A 16 3.389 0.551 -2.084 1.00 21.01 H new ATOM 0 HD11 LEU A 16 2.201 -1.120 -3.448 1.00 20.34 H new ATOM 0 HD12 LEU A 16 3.262 -0.091 -4.440 1.00 20.34 H new ATOM 0 HD13 LEU A 16 3.762 -1.749 -4.029 1.00 20.34 H new ATOM 0 HD21 LEU A 16 2.793 -1.632 -1.108 1.00 22.32 H new ATOM 0 HD22 LEU A 16 4.376 -2.279 -1.599 1.00 22.32 H new ATOM 0 HD23 LEU A 16 4.284 -0.975 -0.392 1.00 22.32 H new ATOM 233 N GLU A 17 6.291 -1.780 -5.025 1.00 2.53 N ATOM 234 CA GLU A 17 5.998 -2.652 -6.157 1.00 14.20 C ATOM 235 C GLU A 17 7.028 -3.775 -6.258 1.00 43.24 C ATOM 236 O GLU A 17 6.883 -4.692 -7.065 1.00 20.33 O ATOM 237 CB GLU A 17 5.976 -1.847 -7.458 1.00 65.52 C ATOM 238 CG GLU A 17 4.650 -1.922 -8.196 1.00 5.24 C ATOM 239 CD GLU A 17 4.363 -3.307 -8.741 1.00 23.31 C ATOM 240 OE1 GLU A 17 5.329 -4.038 -9.044 1.00 54.14 O ATOM 241 OE2 GLU A 17 3.172 -3.661 -8.866 1.00 21.34 O ATOM 0 H GLU A 17 6.719 -0.890 -5.278 1.00 2.53 H new ATOM 0 HA GLU A 17 5.015 -3.096 -5.997 1.00 14.20 H new ATOM 0 HB2 GLU A 17 6.199 -0.804 -7.234 1.00 65.52 H new ATOM 0 HB3 GLU A 17 6.768 -2.209 -8.113 1.00 65.52 H new ATOM 0 HG2 GLU A 17 3.846 -1.627 -7.522 1.00 5.24 H new ATOM 0 HG3 GLU A 17 4.655 -1.206 -9.018 1.00 5.24 H new ATOM 248 N ARG A 18 8.066 -3.694 -5.433 1.00 45.21 N ATOM 249 CA ARG A 18 9.120 -4.701 -5.429 1.00 14.54 C ATOM 250 C ARG A 18 8.749 -5.873 -4.527 1.00 73.43 C ATOM 251 O ARG A 18 8.941 -7.034 -4.890 1.00 24.42 O ATOM 252 CB ARG A 18 10.442 -4.085 -4.967 1.00 64.22 C ATOM 253 CG ARG A 18 11.517 -4.072 -6.042 1.00 41.04 C ATOM 254 CD ARG A 18 11.109 -3.212 -7.228 1.00 23.45 C ATOM 255 NE ARG A 18 11.208 -3.940 -8.491 1.00 71.23 N ATOM 256 CZ ARG A 18 11.176 -3.353 -9.681 1.00 2.24 C ATOM 257 NH1 ARG A 18 11.049 -2.035 -9.772 1.00 71.44 N ATOM 258 NH2 ARG A 18 11.273 -4.083 -10.785 1.00 2.41 N ATOM 0 H ARG A 18 8.200 -2.941 -4.758 1.00 45.21 H new ATOM 0 HA ARG A 18 9.237 -5.072 -6.447 1.00 14.54 H new ATOM 0 HB2 ARG A 18 10.260 -3.063 -4.635 1.00 64.22 H new ATOM 0 HB3 ARG A 18 10.810 -4.640 -4.104 1.00 64.22 H new ATOM 0 HG2 ARG A 18 12.449 -3.695 -5.621 1.00 41.04 H new ATOM 0 HG3 ARG A 18 11.709 -5.091 -6.379 1.00 41.04 H new ATOM 0 HD2 ARG A 18 10.085 -2.865 -7.089 1.00 23.45 H new ATOM 0 HD3 ARG A 18 11.743 -2.326 -7.269 1.00 23.45 H new ATOM 0 HE ARG A 18 11.307 -4.955 -8.456 1.00 71.23 H new ATOM 0 HH11 ARG A 18 10.976 -1.470 -8.926 1.00 71.44 H new ATOM 0 HH12 ARG A 18 11.025 -1.587 -10.688 1.00 71.44 H new ATOM 0 HH21 ARG A 18 11.372 -5.096 -10.719 1.00 2.41 H new ATOM 0 HH22 ARG A 18 11.248 -3.631 -11.699 1.00 2.41 H new ATOM 272 N ILE A 19 8.219 -5.562 -3.349 1.00 53.34 N ATOM 273 CA ILE A 19 7.821 -6.589 -2.395 1.00 53.04 C ATOM 274 C ILE A 19 6.927 -7.634 -3.053 1.00 65.12 C ATOM 275 O ILE A 19 5.950 -7.296 -3.721 1.00 30.33 O ATOM 276 CB ILE A 19 7.081 -5.982 -1.189 1.00 44.32 C ATOM 277 CG1 ILE A 19 7.977 -4.972 -0.468 1.00 33.04 C ATOM 278 CG2 ILE A 19 6.635 -7.078 -0.233 1.00 23.14 C ATOM 279 CD1 ILE A 19 7.231 -3.759 0.044 1.00 34.05 C ATOM 0 H ILE A 19 8.055 -4.606 -3.032 1.00 53.34 H new ATOM 0 HA ILE A 19 8.737 -7.066 -2.046 1.00 53.04 H new ATOM 0 HB ILE A 19 6.195 -5.461 -1.551 1.00 44.32 H new ATOM 0 HG12 ILE A 19 8.468 -5.467 0.370 1.00 33.04 H new ATOM 0 HG13 ILE A 19 8.763 -4.645 -1.149 1.00 33.04 H new ATOM 0 HG21 ILE A 19 6.114 -6.632 0.614 1.00 23.14 H new ATOM 0 HG22 ILE A 19 5.965 -7.763 -0.752 1.00 23.14 H new ATOM 0 HG23 ILE A 19 7.507 -7.625 0.125 1.00 23.14 H new ATOM 0 HD11 ILE A 19 7.929 -3.087 0.544 1.00 34.05 H new ATOM 0 HD12 ILE A 19 6.763 -3.240 -0.792 1.00 34.05 H new ATOM 0 HD13 ILE A 19 6.463 -4.075 0.750 1.00 34.05 H new ATOM 291 N ARG A 20 7.266 -8.904 -2.856 1.00 34.14 N ATOM 292 CA ARG A 20 6.493 -9.998 -3.430 1.00 34.45 C ATOM 293 C ARG A 20 5.429 -10.485 -2.451 1.00 43.14 C ATOM 294 O ARG A 20 5.709 -10.704 -1.272 1.00 53.40 O ATOM 295 CB ARG A 20 7.416 -11.157 -3.814 1.00 45.34 C ATOM 296 CG ARG A 20 7.986 -11.041 -5.219 1.00 61.54 C ATOM 297 CD ARG A 20 9.003 -12.137 -5.497 1.00 14.44 C ATOM 298 NE ARG A 20 9.360 -12.204 -6.912 1.00 74.52 N ATOM 299 CZ ARG A 20 10.330 -12.976 -7.389 1.00 51.20 C ATOM 300 NH1 ARG A 20 11.036 -13.742 -6.569 1.00 74.41 N ATOM 301 NH2 ARG A 20 10.596 -12.983 -8.689 1.00 2.12 N ATOM 0 H ARG A 20 8.071 -9.200 -2.303 1.00 34.14 H new ATOM 0 HA ARG A 20 5.995 -9.626 -4.326 1.00 34.45 H new ATOM 0 HB2 ARG A 20 8.238 -11.208 -3.100 1.00 45.34 H new ATOM 0 HB3 ARG A 20 6.864 -12.093 -3.731 1.00 45.34 H new ATOM 0 HG2 ARG A 20 7.177 -11.100 -5.947 1.00 61.54 H new ATOM 0 HG3 ARG A 20 8.457 -10.066 -5.343 1.00 61.54 H new ATOM 0 HD2 ARG A 20 9.900 -11.958 -4.904 1.00 14.44 H new ATOM 0 HD3 ARG A 20 8.597 -13.098 -5.179 1.00 14.44 H new ATOM 0 HE ARG A 20 8.836 -11.627 -7.569 1.00 74.52 H new ATOM 0 HH11 ARG A 20 10.835 -13.740 -5.569 1.00 74.41 H new ATOM 0 HH12 ARG A 20 11.780 -14.334 -6.938 1.00 74.41 H new ATOM 0 HH21 ARG A 20 10.055 -12.395 -9.323 1.00 2.12 H new ATOM 0 HH22 ARG A 20 11.341 -13.576 -9.054 1.00 2.12 H new ATOM 315 N LEU A 21 4.207 -10.650 -2.946 1.00 35.41 N ATOM 316 CA LEU A 21 3.101 -11.111 -2.115 1.00 4.22 C ATOM 317 C LEU A 21 3.441 -12.435 -1.438 1.00 30.24 C ATOM 318 O LEU A 21 2.900 -12.761 -0.383 1.00 61.34 O ATOM 319 CB LEU A 21 1.834 -11.266 -2.959 1.00 71.20 C ATOM 320 CG LEU A 21 1.184 -9.969 -3.440 1.00 43.45 C ATOM 321 CD1 LEU A 21 0.210 -10.248 -4.573 1.00 41.10 C ATOM 322 CD2 LEU A 21 0.479 -9.267 -2.289 1.00 43.20 C ATOM 0 H LEU A 21 3.957 -10.471 -3.919 1.00 35.41 H new ATOM 0 HA LEU A 21 2.926 -10.364 -1.340 1.00 4.22 H new ATOM 0 HB2 LEU A 21 2.075 -11.873 -3.832 1.00 71.20 H new ATOM 0 HB3 LEU A 21 1.100 -11.822 -2.377 1.00 71.20 H new ATOM 0 HG LEU A 21 1.967 -9.311 -3.816 1.00 43.45 H new ATOM 0 HD11 LEU A 21 -0.243 -9.313 -4.902 1.00 41.10 H new ATOM 0 HD12 LEU A 21 0.743 -10.706 -5.406 1.00 41.10 H new ATOM 0 HD13 LEU A 21 -0.569 -10.925 -4.224 1.00 41.10 H new ATOM 0 HD21 LEU A 21 0.022 -8.346 -2.650 1.00 43.20 H new ATOM 0 HD22 LEU A 21 -0.293 -9.920 -1.883 1.00 43.20 H new ATOM 0 HD23 LEU A 21 1.203 -9.032 -1.508 1.00 43.20 H new ATOM 334 N ARG A 22 4.343 -13.193 -2.054 1.00 12.04 N ATOM 335 CA ARG A 22 4.756 -14.481 -1.511 1.00 61.15 C ATOM 336 C ARG A 22 6.278 -14.603 -1.498 1.00 43.14 C ATOM 337 O ARG A 22 6.988 -13.886 -2.202 1.00 33.13 O ATOM 338 CB ARG A 22 4.150 -15.622 -2.330 1.00 34.22 C ATOM 339 CG ARG A 22 2.833 -16.139 -1.774 1.00 10.45 C ATOM 340 CD ARG A 22 1.954 -16.715 -2.872 1.00 3.04 C ATOM 341 NE ARG A 22 0.848 -15.824 -3.212 1.00 4.24 N ATOM 342 CZ ARG A 22 -0.231 -15.668 -2.452 1.00 62.33 C ATOM 343 NH1 ARG A 22 -0.348 -16.339 -1.315 1.00 34.32 N ATOM 344 NH2 ARG A 22 -1.195 -14.838 -2.829 1.00 3.03 N ATOM 0 H ARG A 22 4.801 -12.937 -2.929 1.00 12.04 H new ATOM 0 HA ARG A 22 4.394 -14.547 -0.485 1.00 61.15 H new ATOM 0 HB2 ARG A 22 3.993 -15.280 -3.353 1.00 34.22 H new ATOM 0 HB3 ARG A 22 4.864 -16.445 -2.375 1.00 34.22 H new ATOM 0 HG2 ARG A 22 3.029 -16.905 -1.024 1.00 10.45 H new ATOM 0 HG3 ARG A 22 2.305 -15.328 -1.272 1.00 10.45 H new ATOM 0 HD2 ARG A 22 2.558 -16.899 -3.761 1.00 3.04 H new ATOM 0 HD3 ARG A 22 1.558 -17.678 -2.551 1.00 3.04 H new ATOM 0 HE ARG A 22 0.907 -15.292 -4.080 1.00 4.24 H new ATOM 0 HH11 ARG A 22 0.391 -16.977 -1.021 1.00 34.32 H new ATOM 0 HH12 ARG A 22 -1.177 -16.217 -0.734 1.00 34.32 H new ATOM 0 HH21 ARG A 22 -1.108 -14.319 -3.703 1.00 3.03 H new ATOM 0 HH22 ARG A 22 -2.023 -14.719 -2.245 1.00 3.03 H new ATOM 358 N PRO A 23 6.790 -15.530 -0.675 1.00 21.14 N ATOM 359 CA PRO A 23 8.231 -15.767 -0.550 1.00 22.35 C ATOM 360 C PRO A 23 8.824 -16.407 -1.800 1.00 13.25 C ATOM 361 O PRO A 23 9.975 -16.152 -2.153 1.00 33.24 O ATOM 362 CB PRO A 23 8.330 -16.726 0.639 1.00 35.45 C ATOM 363 CG PRO A 23 7.014 -17.423 0.675 1.00 44.14 C ATOM 364 CD PRO A 23 6.002 -16.420 0.194 1.00 34.32 C ATOM 0 HA PRO A 23 8.786 -14.839 -0.415 1.00 22.35 H new ATOM 0 HB2 PRO A 23 9.149 -17.433 0.510 1.00 35.45 H new ATOM 0 HB3 PRO A 23 8.518 -16.187 1.568 1.00 35.45 H new ATOM 0 HG2 PRO A 23 7.022 -18.306 0.036 1.00 44.14 H new ATOM 0 HG3 PRO A 23 6.779 -17.762 1.684 1.00 44.14 H new ATOM 0 HD2 PRO A 23 5.190 -16.899 -0.353 1.00 34.32 H new ATOM 0 HD3 PRO A 23 5.551 -15.875 1.023 1.00 34.32 H new ATOM 372 N GLY A 24 8.031 -17.237 -2.469 1.00 62.11 N ATOM 373 CA GLY A 24 8.495 -17.900 -3.674 1.00 41.30 C ATOM 374 C GLY A 24 7.624 -17.593 -4.877 1.00 72.54 C ATOM 375 O GLY A 24 7.586 -18.362 -5.836 1.00 22.21 O ATOM 0 H GLY A 24 7.074 -17.463 -2.198 1.00 62.11 H new ATOM 0 HA2 GLY A 24 9.519 -17.592 -3.883 1.00 41.30 H new ATOM 0 HA3 GLY A 24 8.514 -18.977 -3.508 1.00 41.30 H new ATOM 379 N GLY A 25 6.921 -16.466 -4.825 1.00 42.12 N ATOM 380 CA GLY A 25 6.055 -16.081 -5.923 1.00 31.21 C ATOM 381 C GLY A 25 6.692 -15.046 -6.829 1.00 41.51 C ATOM 382 O GLY A 25 7.862 -14.700 -6.663 1.00 43.45 O ATOM 0 H GLY A 25 6.936 -15.813 -4.042 1.00 42.12 H new ATOM 0 HA2 GLY A 25 5.801 -16.965 -6.508 1.00 31.21 H new ATOM 0 HA3 GLY A 25 5.122 -15.684 -5.524 1.00 31.21 H new ATOM 386 N LYS A 26 5.922 -14.549 -7.791 1.00 72.43 N ATOM 387 CA LYS A 26 6.416 -13.547 -8.728 1.00 72.30 C ATOM 388 C LYS A 26 5.488 -12.338 -8.771 1.00 21.02 C ATOM 389 O LYS A 26 5.706 -11.403 -9.542 1.00 32.33 O ATOM 390 CB LYS A 26 6.552 -14.151 -10.128 1.00 41.24 C ATOM 391 CG LYS A 26 5.252 -14.714 -10.676 1.00 51.33 C ATOM 392 CD LYS A 26 5.506 -15.836 -11.668 1.00 64.12 C ATOM 393 CE LYS A 26 5.586 -17.187 -10.974 1.00 71.04 C ATOM 394 NZ LYS A 26 4.298 -17.553 -10.321 1.00 12.31 N ATOM 0 H LYS A 26 4.952 -14.824 -7.942 1.00 72.43 H new ATOM 0 HA LYS A 26 7.397 -13.217 -8.385 1.00 72.30 H new ATOM 0 HB2 LYS A 26 6.923 -13.386 -10.810 1.00 41.24 H new ATOM 0 HB3 LYS A 26 7.299 -14.944 -10.101 1.00 41.24 H new ATOM 0 HG2 LYS A 26 4.640 -15.085 -9.854 1.00 51.33 H new ATOM 0 HG3 LYS A 26 4.686 -13.919 -11.161 1.00 51.33 H new ATOM 0 HD2 LYS A 26 4.708 -15.854 -12.410 1.00 64.12 H new ATOM 0 HD3 LYS A 26 6.436 -15.646 -12.204 1.00 64.12 H new ATOM 0 HE2 LYS A 26 5.855 -17.953 -11.701 1.00 71.04 H new ATOM 0 HE3 LYS A 26 6.379 -17.165 -10.226 1.00 71.04 H new ATOM 0 HZ1 LYS A 26 4.210 -18.589 -10.283 1.00 12.31 H new ATOM 0 HZ2 LYS A 26 4.277 -17.168 -9.355 1.00 12.31 H new ATOM 0 HZ3 LYS A 26 3.507 -17.158 -10.868 1.00 12.31 H new ATOM 408 N LYS A 27 4.453 -12.362 -7.939 1.00 64.50 N ATOM 409 CA LYS A 27 3.492 -11.267 -7.880 1.00 63.41 C ATOM 410 C LYS A 27 3.924 -10.219 -6.860 1.00 10.14 C ATOM 411 O LYS A 27 4.470 -10.549 -5.807 1.00 22.34 O ATOM 412 CB LYS A 27 2.102 -11.799 -7.523 1.00 70.45 C ATOM 413 CG LYS A 27 0.986 -11.189 -8.352 1.00 33.21 C ATOM 414 CD LYS A 27 0.235 -12.249 -9.141 1.00 0.23 C ATOM 415 CE LYS A 27 -0.409 -11.662 -10.389 1.00 61.25 C ATOM 416 NZ LYS A 27 0.605 -11.134 -11.341 1.00 53.31 N ATOM 0 H LYS A 27 4.258 -13.129 -7.295 1.00 64.50 H new ATOM 0 HA LYS A 27 3.453 -10.798 -8.863 1.00 63.41 H new ATOM 0 HB2 LYS A 27 2.091 -12.881 -7.655 1.00 70.45 H new ATOM 0 HB3 LYS A 27 1.908 -11.605 -6.468 1.00 70.45 H new ATOM 0 HG2 LYS A 27 0.292 -10.661 -7.698 1.00 33.21 H new ATOM 0 HG3 LYS A 27 1.402 -10.451 -9.037 1.00 33.21 H new ATOM 0 HD2 LYS A 27 0.921 -13.047 -9.425 1.00 0.23 H new ATOM 0 HD3 LYS A 27 -0.533 -12.698 -8.511 1.00 0.23 H new ATOM 0 HE2 LYS A 27 -1.007 -12.428 -10.883 1.00 61.25 H new ATOM 0 HE3 LYS A 27 -1.090 -10.861 -10.103 1.00 61.25 H new ATOM 0 HZ1 LYS A 27 0.231 -11.186 -12.310 1.00 53.31 H new ATOM 0 HZ2 LYS A 27 0.820 -10.144 -11.106 1.00 53.31 H new ATOM 0 HZ3 LYS A 27 1.473 -11.702 -11.274 1.00 53.31 H new ATOM 430 N LYS A 28 3.676 -8.953 -7.179 1.00 44.44 N ATOM 431 CA LYS A 28 4.036 -7.855 -6.289 1.00 2.04 C ATOM 432 C LYS A 28 2.796 -7.094 -5.834 1.00 5.33 C ATOM 433 O LYS A 28 1.721 -7.233 -6.419 1.00 1.41 O ATOM 434 CB LYS A 28 5.005 -6.901 -6.991 1.00 53.24 C ATOM 435 CG LYS A 28 6.348 -7.529 -7.318 1.00 31.03 C ATOM 436 CD LYS A 28 6.747 -7.272 -8.761 1.00 72.03 C ATOM 437 CE LYS A 28 6.590 -8.521 -9.614 1.00 34.32 C ATOM 438 NZ LYS A 28 5.261 -8.573 -10.284 1.00 61.24 N ATOM 0 H LYS A 28 3.227 -8.662 -8.047 1.00 44.44 H new ATOM 0 HA LYS A 28 4.523 -8.277 -5.410 1.00 2.04 H new ATOM 0 HB2 LYS A 28 4.546 -6.544 -7.913 1.00 53.24 H new ATOM 0 HB3 LYS A 28 5.166 -6.029 -6.357 1.00 53.24 H new ATOM 0 HG2 LYS A 28 7.111 -7.127 -6.651 1.00 31.03 H new ATOM 0 HG3 LYS A 28 6.302 -8.603 -7.138 1.00 31.03 H new ATOM 0 HD2 LYS A 28 6.133 -6.470 -9.172 1.00 72.03 H new ATOM 0 HD3 LYS A 28 7.782 -6.932 -8.798 1.00 72.03 H new ATOM 0 HE2 LYS A 28 7.377 -8.547 -10.367 1.00 34.32 H new ATOM 0 HE3 LYS A 28 6.716 -9.405 -8.989 1.00 34.32 H new ATOM 0 HZ1 LYS A 28 4.915 -9.554 -10.293 1.00 61.24 H new ATOM 0 HZ2 LYS A 28 4.588 -7.973 -9.766 1.00 61.24 H new ATOM 0 HZ3 LYS A 28 5.351 -8.229 -11.261 1.00 61.24 H new ATOM 452 N TYR A 29 2.952 -6.287 -4.790 1.00 44.14 N ATOM 453 CA TYR A 29 1.843 -5.504 -4.257 1.00 21.20 C ATOM 454 C TYR A 29 1.410 -4.429 -5.248 1.00 62.33 C ATOM 455 O TYR A 29 2.236 -3.844 -5.947 1.00 12.43 O ATOM 456 CB TYR A 29 2.240 -4.858 -2.928 1.00 31.21 C ATOM 457 CG TYR A 29 1.961 -5.729 -1.724 1.00 50.22 C ATOM 458 CD1 TYR A 29 0.668 -5.887 -1.241 1.00 3.32 C ATOM 459 CD2 TYR A 29 2.990 -6.393 -1.069 1.00 75.33 C ATOM 460 CE1 TYR A 29 0.408 -6.681 -0.141 1.00 23.21 C ATOM 461 CE2 TYR A 29 2.739 -7.190 0.031 1.00 61.42 C ATOM 462 CZ TYR A 29 1.447 -7.331 0.491 1.00 61.32 C ATOM 463 OH TYR A 29 1.193 -8.124 1.587 1.00 41.32 O ATOM 0 H TYR A 29 3.835 -6.158 -4.296 1.00 44.14 H new ATOM 0 HA TYR A 29 1.003 -6.178 -4.089 1.00 21.20 H new ATOM 0 HB2 TYR A 29 3.303 -4.618 -2.954 1.00 31.21 H new ATOM 0 HB3 TYR A 29 1.703 -3.916 -2.817 1.00 31.21 H new ATOM 0 HD1 TYR A 29 -0.148 -5.380 -1.734 1.00 3.32 H new ATOM 0 HD2 TYR A 29 4.004 -6.284 -1.426 1.00 75.33 H new ATOM 0 HE1 TYR A 29 -0.603 -6.792 0.222 1.00 23.21 H new ATOM 0 HE2 TYR A 29 3.551 -7.700 0.528 1.00 61.42 H new ATOM 0 HH TYR A 29 0.293 -8.506 1.513 1.00 41.32 H new ATOM 473 N ARG A 30 0.106 -4.174 -5.302 1.00 51.15 N ATOM 474 CA ARG A 30 -0.439 -3.169 -6.207 1.00 73.41 C ATOM 475 C ARG A 30 -1.676 -2.509 -5.604 1.00 24.55 C ATOM 476 O ARG A 30 -2.223 -2.983 -4.608 1.00 63.23 O ATOM 477 CB ARG A 30 -0.790 -3.804 -7.554 1.00 40.23 C ATOM 478 CG ARG A 30 -0.017 -3.217 -8.724 1.00 54.15 C ATOM 479 CD ARG A 30 -0.023 -4.154 -9.921 1.00 15.24 C ATOM 480 NE ARG A 30 1.068 -5.123 -9.864 1.00 53.14 N ATOM 481 CZ ARG A 30 1.286 -6.041 -10.799 1.00 72.45 C ATOM 482 NH1 ARG A 30 0.491 -6.115 -11.857 1.00 32.11 N ATOM 483 NH2 ARG A 30 2.301 -6.888 -10.675 1.00 63.33 N ATOM 0 H ARG A 30 -0.592 -4.649 -4.730 1.00 51.15 H new ATOM 0 HA ARG A 30 0.321 -2.403 -6.361 1.00 73.41 H new ATOM 0 HB2 ARG A 30 -0.596 -4.875 -7.502 1.00 40.23 H new ATOM 0 HB3 ARG A 30 -1.858 -3.681 -7.737 1.00 40.23 H new ATOM 0 HG2 ARG A 30 -0.455 -2.260 -9.007 1.00 54.15 H new ATOM 0 HG3 ARG A 30 1.011 -3.020 -8.420 1.00 54.15 H new ATOM 0 HD2 ARG A 30 -0.975 -4.683 -9.963 1.00 15.24 H new ATOM 0 HD3 ARG A 30 0.058 -3.571 -10.838 1.00 15.24 H new ATOM 0 HE ARG A 30 1.697 -5.093 -9.062 1.00 53.14 H new ATOM 0 HH11 ARG A 30 -0.290 -5.466 -11.954 1.00 32.11 H new ATOM 0 HH12 ARG A 30 0.660 -6.821 -12.574 1.00 32.11 H new ATOM 0 HH21 ARG A 30 2.914 -6.834 -9.861 1.00 63.33 H new ATOM 0 HH22 ARG A 30 2.468 -7.593 -11.393 1.00 63.33 H new ATOM 497 N LEU A 31 -2.113 -1.415 -6.217 1.00 13.31 N ATOM 498 CA LEU A 31 -3.286 -0.689 -5.742 1.00 54.44 C ATOM 499 C LEU A 31 -4.459 -1.636 -5.518 1.00 23.42 C ATOM 500 O LEU A 31 -5.275 -1.431 -4.619 1.00 4.01 O ATOM 501 CB LEU A 31 -3.678 0.400 -6.744 1.00 35.41 C ATOM 502 CG LEU A 31 -3.174 1.809 -6.434 1.00 21.01 C ATOM 503 CD1 LEU A 31 -1.681 1.914 -6.706 1.00 45.34 C ATOM 504 CD2 LEU A 31 -3.940 2.840 -7.251 1.00 42.10 C ATOM 0 H LEU A 31 -1.673 -1.011 -7.044 1.00 13.31 H new ATOM 0 HA LEU A 31 -3.033 -0.223 -4.790 1.00 54.44 H new ATOM 0 HB2 LEU A 31 -3.307 0.111 -7.728 1.00 35.41 H new ATOM 0 HB3 LEU A 31 -4.766 0.431 -6.810 1.00 35.41 H new ATOM 0 HG LEU A 31 -3.345 2.011 -5.377 1.00 21.01 H new ATOM 0 HD11 LEU A 31 -1.340 2.924 -6.480 1.00 45.34 H new ATOM 0 HD12 LEU A 31 -1.146 1.201 -6.079 1.00 45.34 H new ATOM 0 HD13 LEU A 31 -1.486 1.692 -7.755 1.00 45.34 H new ATOM 0 HD21 LEU A 31 -3.568 3.838 -7.018 1.00 42.10 H new ATOM 0 HD22 LEU A 31 -3.800 2.640 -8.313 1.00 42.10 H new ATOM 0 HD23 LEU A 31 -5.001 2.782 -7.008 1.00 42.10 H new ATOM 516 N LYS A 32 -4.538 -2.677 -6.341 1.00 52.33 N ATOM 517 CA LYS A 32 -5.609 -3.660 -6.232 1.00 1.13 C ATOM 518 C LYS A 32 -5.713 -4.196 -4.808 1.00 52.34 C ATOM 519 O LYS A 32 -6.808 -4.308 -4.255 1.00 50.14 O ATOM 520 CB LYS A 32 -5.370 -4.816 -7.206 1.00 34.14 C ATOM 521 CG LYS A 32 -6.277 -4.782 -8.424 1.00 72.11 C ATOM 522 CD LYS A 32 -5.963 -5.918 -9.384 1.00 52.42 C ATOM 523 CE LYS A 32 -6.455 -5.611 -10.791 1.00 51.22 C ATOM 524 NZ LYS A 32 -7.519 -6.557 -11.224 1.00 2.15 N ATOM 0 H LYS A 32 -3.872 -2.861 -7.091 1.00 52.33 H new ATOM 0 HA LYS A 32 -6.547 -3.167 -6.486 1.00 1.13 H new ATOM 0 HB2 LYS A 32 -4.331 -4.793 -7.536 1.00 34.14 H new ATOM 0 HB3 LYS A 32 -5.517 -5.759 -6.680 1.00 34.14 H new ATOM 0 HG2 LYS A 32 -7.317 -4.850 -8.106 1.00 72.11 H new ATOM 0 HG3 LYS A 32 -6.162 -3.828 -8.938 1.00 72.11 H new ATOM 0 HD2 LYS A 32 -4.887 -6.092 -9.404 1.00 52.42 H new ATOM 0 HD3 LYS A 32 -6.428 -6.837 -9.027 1.00 52.42 H new ATOM 0 HE2 LYS A 32 -6.839 -4.591 -10.827 1.00 51.22 H new ATOM 0 HE3 LYS A 32 -5.618 -5.662 -11.488 1.00 51.22 H new ATOM 0 HZ1 LYS A 32 -7.828 -6.315 -12.187 1.00 2.15 H new ATOM 0 HZ2 LYS A 32 -7.146 -7.528 -11.214 1.00 2.15 H new ATOM 0 HZ3 LYS A 32 -8.328 -6.490 -10.574 1.00 2.15 H new ATOM 538 N HIS A 33 -4.567 -4.525 -4.219 1.00 45.15 N ATOM 539 CA HIS A 33 -4.530 -5.046 -2.857 1.00 72.42 C ATOM 540 C HIS A 33 -4.929 -3.969 -1.852 1.00 63.21 C ATOM 541 O HIS A 33 -5.450 -4.343 -0.799 1.00 30.44 O ATOM 542 CB HIS A 33 -3.132 -5.574 -2.527 1.00 4.05 C ATOM 543 CG HIS A 33 -2.633 -6.594 -3.504 1.00 65.23 C ATOM 544 ND1 HIS A 33 -1.585 -6.360 -4.368 1.00 41.10 N ATOM 545 CD2 HIS A 33 -3.044 -7.862 -3.747 1.00 52.41 C ATOM 546 CE1 HIS A 33 -1.374 -7.437 -5.102 1.00 21.20 C ATOM 547 NE2 HIS A 33 -2.245 -8.363 -4.745 1.00 64.54 N ATOM 0 H HIS A 33 -3.653 -4.440 -4.663 1.00 45.15 H new ATOM 0 HA HIS A 33 -5.245 -5.866 -2.789 1.00 72.42 H new ATOM 0 HB2 HIS A 33 -2.434 -4.738 -2.498 1.00 4.05 H new ATOM 0 HB3 HIS A 33 -3.144 -6.013 -1.530 1.00 4.05 H new ATOM 0 HD2 HIS A 33 -3.849 -8.381 -3.249 1.00 52.41 H new ATOM 0 HE1 HIS A 33 -0.617 -7.543 -5.865 1.00 21.20 H new ATOM 0 HE2 HIS A 33 -2.313 -9.299 -5.146 1.00 64.54 H new ATOM 555 N ILE A 34 -4.709 -2.691 -2.136 1.00 70.24 N ATOM 556 CA ILE A 34 -5.074 -1.628 -1.208 1.00 63.33 C ATOM 557 C ILE A 34 -6.586 -1.430 -1.166 1.00 21.30 C ATOM 558 O ILE A 34 -7.166 -1.216 -0.102 1.00 71.10 O ATOM 559 CB ILE A 34 -4.403 -0.294 -1.586 1.00 23.31 C ATOM 560 CG1 ILE A 34 -2.938 -0.524 -1.962 1.00 73.55 C ATOM 561 CG2 ILE A 34 -4.511 0.697 -0.438 1.00 4.43 C ATOM 562 CD1 ILE A 34 -2.183 0.752 -2.257 1.00 54.15 C ATOM 0 H ILE A 34 -4.279 -2.366 -3.002 1.00 70.24 H new ATOM 0 HA ILE A 34 -4.722 -1.935 -0.223 1.00 63.33 H new ATOM 0 HB ILE A 34 -4.919 0.124 -2.450 1.00 23.31 H new ATOM 0 HG12 ILE A 34 -2.441 -1.051 -1.148 1.00 73.55 H new ATOM 0 HG13 ILE A 34 -2.893 -1.174 -2.836 1.00 73.55 H new ATOM 0 HG21 ILE A 34 -4.032 1.635 -0.720 1.00 4.43 H new ATOM 0 HG22 ILE A 34 -5.562 0.880 -0.213 1.00 4.43 H new ATOM 0 HG23 ILE A 34 -4.017 0.288 0.443 1.00 4.43 H new ATOM 0 HD11 ILE A 34 -1.152 0.513 -2.516 1.00 54.15 H new ATOM 0 HD12 ILE A 34 -2.656 1.270 -3.091 1.00 54.15 H new ATOM 0 HD13 ILE A 34 -2.196 1.394 -1.377 1.00 54.15 H new ATOM 574 N VAL A 35 -7.219 -1.504 -2.333 1.00 23.12 N ATOM 575 CA VAL A 35 -8.664 -1.335 -2.430 1.00 22.24 C ATOM 576 C VAL A 35 -9.397 -2.403 -1.627 1.00 34.51 C ATOM 577 O VAL A 35 -10.376 -2.115 -0.938 1.00 15.34 O ATOM 578 CB VAL A 35 -9.139 -1.394 -3.895 1.00 72.03 C ATOM 579 CG1 VAL A 35 -10.651 -1.251 -3.972 1.00 70.21 C ATOM 580 CG2 VAL A 35 -8.449 -0.319 -4.721 1.00 41.24 C ATOM 0 H VAL A 35 -6.754 -1.680 -3.224 1.00 23.12 H new ATOM 0 HA VAL A 35 -8.896 -0.352 -2.019 1.00 22.24 H new ATOM 0 HB VAL A 35 -8.870 -2.366 -4.308 1.00 72.03 H new ATOM 0 HG11 VAL A 35 -10.968 -1.295 -5.014 1.00 70.21 H new ATOM 0 HG12 VAL A 35 -11.122 -2.061 -3.415 1.00 70.21 H new ATOM 0 HG13 VAL A 35 -10.948 -0.294 -3.542 1.00 70.21 H new ATOM 0 HG21 VAL A 35 -8.796 -0.375 -5.753 1.00 41.24 H new ATOM 0 HG22 VAL A 35 -8.686 0.663 -4.311 1.00 41.24 H new ATOM 0 HG23 VAL A 35 -7.370 -0.474 -4.692 1.00 41.24 H new ATOM 590 N TRP A 36 -8.917 -3.639 -1.719 1.00 23.13 N ATOM 591 CA TRP A 36 -9.527 -4.751 -0.999 1.00 34.13 C ATOM 592 C TRP A 36 -9.317 -4.608 0.504 1.00 62.31 C ATOM 593 O TRP A 36 -10.078 -5.156 1.301 1.00 30.41 O ATOM 594 CB TRP A 36 -8.944 -6.080 -1.484 1.00 12.24 C ATOM 595 CG TRP A 36 -9.437 -7.264 -0.709 1.00 42.20 C ATOM 596 CD1 TRP A 36 -10.450 -8.109 -1.061 1.00 53.22 C ATOM 597 CD2 TRP A 36 -8.941 -7.731 0.551 1.00 52.21 C ATOM 598 NE1 TRP A 36 -10.613 -9.075 -0.096 1.00 41.51 N ATOM 599 CE2 TRP A 36 -9.699 -8.864 0.902 1.00 63.12 C ATOM 600 CE3 TRP A 36 -7.929 -7.302 1.414 1.00 61.23 C ATOM 601 CZ2 TRP A 36 -9.476 -9.573 2.080 1.00 3.40 C ATOM 602 CZ3 TRP A 36 -7.709 -8.006 2.583 1.00 34.03 C ATOM 603 CH2 TRP A 36 -8.479 -9.131 2.907 1.00 53.41 C ATOM 0 H TRP A 36 -8.108 -3.896 -2.285 1.00 23.13 H new ATOM 0 HA TRP A 36 -10.598 -4.737 -1.200 1.00 34.13 H new ATOM 0 HB2 TRP A 36 -9.193 -6.215 -2.537 1.00 12.24 H new ATOM 0 HB3 TRP A 36 -7.857 -6.038 -1.416 1.00 12.24 H new ATOM 0 HD1 TRP A 36 -11.037 -8.030 -1.964 1.00 53.22 H new ATOM 0 HE1 TRP A 36 -11.302 -9.826 -0.120 1.00 41.51 H new ATOM 0 HE3 TRP A 36 -7.330 -6.437 1.172 1.00 61.23 H new ATOM 0 HZ2 TRP A 36 -10.068 -10.440 2.332 1.00 3.40 H new ATOM 0 HZ3 TRP A 36 -6.930 -7.683 3.258 1.00 34.03 H new ATOM 0 HH2 TRP A 36 -8.282 -9.660 3.828 1.00 53.41 H new ATOM 614 N ALA A 37 -8.281 -3.868 0.884 1.00 10.41 N ATOM 615 CA ALA A 37 -7.973 -3.652 2.293 1.00 13.50 C ATOM 616 C ALA A 37 -8.828 -2.531 2.875 1.00 53.40 C ATOM 617 O ALA A 37 -9.460 -2.698 3.917 1.00 61.05 O ATOM 618 CB ALA A 37 -6.495 -3.335 2.467 1.00 64.44 C ATOM 0 H ALA A 37 -7.641 -3.408 0.237 1.00 10.41 H new ATOM 0 HA ALA A 37 -8.203 -4.569 2.835 1.00 13.50 H new ATOM 0 HB1 ALA A 37 -6.279 -3.176 3.523 1.00 64.44 H new ATOM 0 HB2 ALA A 37 -5.898 -4.168 2.096 1.00 64.44 H new ATOM 0 HB3 ALA A 37 -6.248 -2.433 1.906 1.00 64.44 H new ATOM 624 N ALA A 38 -8.842 -1.388 2.195 1.00 63.43 N ATOM 625 CA ALA A 38 -9.620 -0.242 2.645 1.00 41.14 C ATOM 626 C ALA A 38 -11.077 -0.626 2.885 1.00 0.44 C ATOM 627 O ALA A 38 -11.713 -0.135 3.816 1.00 54.20 O ATOM 628 CB ALA A 38 -9.531 0.888 1.630 1.00 15.40 C ATOM 0 H ALA A 38 -8.323 -1.233 1.331 1.00 63.43 H new ATOM 0 HA ALA A 38 -9.201 0.100 3.591 1.00 41.14 H new ATOM 0 HB1 ALA A 38 -10.117 1.738 1.979 1.00 15.40 H new ATOM 0 HB2 ALA A 38 -8.490 1.189 1.511 1.00 15.40 H new ATOM 0 HB3 ALA A 38 -9.922 0.547 0.671 1.00 15.40 H new ATOM 634 N ASN A 39 -11.598 -1.506 2.037 1.00 70.52 N ATOM 635 CA ASN A 39 -12.980 -1.956 2.156 1.00 2.40 C ATOM 636 C ASN A 39 -13.248 -2.532 3.543 1.00 62.20 C ATOM 637 O ASN A 39 -14.338 -2.376 4.093 1.00 41.22 O ATOM 638 CB ASN A 39 -13.292 -3.006 1.087 1.00 73.13 C ATOM 639 CG ASN A 39 -14.778 -3.279 0.960 1.00 74.40 C ATOM 640 OD1 ASN A 39 -15.600 -2.372 1.089 1.00 64.04 O ATOM 641 ND2 ASN A 39 -15.129 -4.534 0.704 1.00 73.03 N ATOM 0 H ASN A 39 -11.084 -1.922 1.260 1.00 70.52 H new ATOM 0 HA ASN A 39 -13.629 -1.093 2.008 1.00 2.40 H new ATOM 0 HB2 ASN A 39 -12.904 -2.668 0.126 1.00 73.13 H new ATOM 0 HB3 ASN A 39 -12.775 -3.934 1.331 1.00 73.13 H new ATOM 0 HD21 ASN A 39 -16.115 -4.778 0.606 1.00 73.03 H new ATOM 0 HD22 ASN A 39 -14.413 -5.254 0.605 1.00 73.03 H new ATOM 648 N LYS A 40 -12.245 -3.198 4.104 1.00 74.23 N ATOM 649 CA LYS A 40 -12.369 -3.796 5.428 1.00 72.24 C ATOM 650 C LYS A 40 -12.387 -2.722 6.511 1.00 61.53 C ATOM 651 O LYS A 40 -13.194 -2.777 7.441 1.00 50.11 O ATOM 652 CB LYS A 40 -11.216 -4.771 5.681 1.00 50.40 C ATOM 653 CG LYS A 40 -11.363 -6.092 4.945 1.00 4.10 C ATOM 654 CD LYS A 40 -11.751 -7.215 5.892 1.00 35.42 C ATOM 655 CE LYS A 40 -12.590 -8.272 5.188 1.00 42.45 C ATOM 656 NZ LYS A 40 -13.796 -8.640 5.981 1.00 21.43 N ATOM 0 H LYS A 40 -11.336 -3.337 3.662 1.00 74.23 H new ATOM 0 HA LYS A 40 -13.312 -4.341 5.465 1.00 72.24 H new ATOM 0 HB2 LYS A 40 -10.280 -4.300 5.381 1.00 50.40 H new ATOM 0 HB3 LYS A 40 -11.145 -4.967 6.751 1.00 50.40 H new ATOM 0 HG2 LYS A 40 -12.119 -5.994 4.166 1.00 4.10 H new ATOM 0 HG3 LYS A 40 -10.425 -6.340 4.449 1.00 4.10 H new ATOM 0 HD2 LYS A 40 -10.851 -7.675 6.300 1.00 35.42 H new ATOM 0 HD3 LYS A 40 -12.310 -6.806 6.734 1.00 35.42 H new ATOM 0 HE2 LYS A 40 -12.897 -7.900 4.211 1.00 42.45 H new ATOM 0 HE3 LYS A 40 -11.984 -9.161 5.015 1.00 42.45 H new ATOM 0 HZ1 LYS A 40 -14.341 -9.362 5.468 1.00 21.43 H new ATOM 0 HZ2 LYS A 40 -13.502 -9.018 6.904 1.00 21.43 H new ATOM 0 HZ3 LYS A 40 -14.388 -7.797 6.125 1.00 21.43 H new ATOM 670 N LEU A 41 -11.496 -1.746 6.385 1.00 14.12 N ATOM 671 CA LEU A 41 -11.411 -0.657 7.352 1.00 73.32 C ATOM 672 C LEU A 41 -12.775 -0.008 7.562 1.00 33.14 C ATOM 673 O LEU A 41 -13.058 0.533 8.631 1.00 53.33 O ATOM 674 CB LEU A 41 -10.400 0.391 6.883 1.00 21.34 C ATOM 675 CG LEU A 41 -8.925 0.037 7.080 1.00 45.41 C ATOM 676 CD1 LEU A 41 -8.050 0.862 6.150 1.00 55.03 C ATOM 677 CD2 LEU A 41 -8.516 0.252 8.530 1.00 42.25 C ATOM 0 H LEU A 41 -10.821 -1.686 5.622 1.00 14.12 H new ATOM 0 HA LEU A 41 -11.077 -1.073 8.303 1.00 73.32 H new ATOM 0 HB2 LEU A 41 -10.569 0.581 5.823 1.00 21.34 H new ATOM 0 HB3 LEU A 41 -10.603 1.323 7.410 1.00 21.34 H new ATOM 0 HG LEU A 41 -8.787 -1.016 6.836 1.00 45.41 H new ATOM 0 HD11 LEU A 41 -7.004 0.597 6.304 1.00 55.03 H new ATOM 0 HD12 LEU A 41 -8.327 0.660 5.115 1.00 55.03 H new ATOM 0 HD13 LEU A 41 -8.191 1.922 6.363 1.00 55.03 H new ATOM 0 HD21 LEU A 41 -7.464 -0.004 8.653 1.00 42.25 H new ATOM 0 HD22 LEU A 41 -8.669 1.297 8.800 1.00 42.25 H new ATOM 0 HD23 LEU A 41 -9.122 -0.382 9.177 1.00 42.25 H new ATOM 689 N ASP A 42 -13.617 -0.067 6.536 1.00 34.13 N ATOM 690 CA ASP A 42 -14.953 0.514 6.609 1.00 34.53 C ATOM 691 C ASP A 42 -15.869 -0.342 7.478 1.00 51.23 C ATOM 692 O ASP A 42 -16.540 0.166 8.377 1.00 71.42 O ATOM 693 CB ASP A 42 -15.546 0.657 5.207 1.00 24.11 C ATOM 694 CG ASP A 42 -15.937 2.087 4.887 1.00 74.31 C ATOM 695 OD1 ASP A 42 -15.097 2.989 5.085 1.00 51.23 O ATOM 696 OD2 ASP A 42 -17.083 2.303 4.440 1.00 72.12 O ATOM 0 H ASP A 42 -13.398 -0.511 5.644 1.00 34.13 H new ATOM 0 HA ASP A 42 -14.870 1.502 7.062 1.00 34.53 H new ATOM 0 HB2 ASP A 42 -14.821 0.308 4.472 1.00 24.11 H new ATOM 0 HB3 ASP A 42 -16.423 0.015 5.119 1.00 24.11 H new ATOM 701 N ARG A 43 -15.894 -1.642 7.203 1.00 13.23 N ATOM 702 CA ARG A 43 -16.730 -2.567 7.958 1.00 41.13 C ATOM 703 C ARG A 43 -16.500 -2.409 9.458 1.00 54.52 C ATOM 704 O ARG A 43 -17.368 -2.730 10.268 1.00 64.33 O ATOM 705 CB ARG A 43 -16.441 -4.009 7.536 1.00 44.23 C ATOM 706 CG ARG A 43 -17.692 -4.857 7.370 1.00 3.00 C ATOM 707 CD ARG A 43 -17.488 -6.262 7.912 1.00 62.34 C ATOM 708 NE ARG A 43 -17.439 -6.284 9.372 1.00 62.20 N ATOM 709 CZ ARG A 43 -17.544 -7.394 10.094 1.00 51.11 C ATOM 710 NH1 ARG A 43 -17.703 -8.566 9.495 1.00 61.32 N ATOM 711 NH2 ARG A 43 -17.490 -7.333 11.418 1.00 73.13 N ATOM 0 H ARG A 43 -15.345 -2.078 6.463 1.00 13.23 H new ATOM 0 HA ARG A 43 -17.773 -2.334 7.742 1.00 41.13 H new ATOM 0 HB2 ARG A 43 -15.891 -4.000 6.595 1.00 44.23 H new ATOM 0 HB3 ARG A 43 -15.793 -4.473 8.280 1.00 44.23 H new ATOM 0 HG2 ARG A 43 -18.525 -4.383 7.889 1.00 3.00 H new ATOM 0 HG3 ARG A 43 -17.961 -4.908 6.315 1.00 3.00 H new ATOM 0 HD2 ARG A 43 -18.298 -6.905 7.567 1.00 62.34 H new ATOM 0 HD3 ARG A 43 -16.561 -6.674 7.512 1.00 62.34 H new ATOM 0 HE ARG A 43 -17.318 -5.399 9.864 1.00 62.20 H new ATOM 0 HH11 ARG A 43 -17.745 -8.617 8.477 1.00 61.32 H new ATOM 0 HH12 ARG A 43 -17.783 -9.417 10.052 1.00 61.32 H new ATOM 0 HH21 ARG A 43 -17.368 -6.433 11.883 1.00 73.13 H new ATOM 0 HH22 ARG A 43 -17.571 -8.186 11.972 1.00 73.13 H new ATOM 725 N PHE A 44 -15.322 -1.909 9.820 1.00 75.33 N ATOM 726 CA PHE A 44 -14.976 -1.710 11.223 1.00 13.52 C ATOM 727 C PHE A 44 -15.179 -0.254 11.631 1.00 10.34 C ATOM 728 O PHE A 44 -15.713 0.034 12.701 1.00 73.42 O ATOM 729 CB PHE A 44 -13.524 -2.123 11.476 1.00 31.44 C ATOM 730 CG PHE A 44 -13.288 -3.599 11.330 1.00 62.54 C ATOM 731 CD1 PHE A 44 -13.922 -4.502 12.168 1.00 23.32 C ATOM 732 CD2 PHE A 44 -12.432 -4.085 10.355 1.00 30.13 C ATOM 733 CE1 PHE A 44 -13.706 -5.861 12.037 1.00 2.15 C ATOM 734 CE2 PHE A 44 -12.211 -5.443 10.218 1.00 44.23 C ATOM 735 CZ PHE A 44 -12.851 -6.331 11.059 1.00 73.54 C ATOM 0 H PHE A 44 -14.592 -1.635 9.162 1.00 75.33 H new ATOM 0 HA PHE A 44 -15.635 -2.335 11.826 1.00 13.52 H new ATOM 0 HB2 PHE A 44 -12.876 -1.589 10.781 1.00 31.44 H new ATOM 0 HB3 PHE A 44 -13.236 -1.815 12.481 1.00 31.44 H new ATOM 0 HD1 PHE A 44 -14.593 -4.140 12.933 1.00 23.32 H new ATOM 0 HD2 PHE A 44 -11.931 -3.394 9.693 1.00 30.13 H new ATOM 0 HE1 PHE A 44 -14.205 -6.554 12.698 1.00 2.15 H new ATOM 0 HE2 PHE A 44 -11.539 -5.808 9.455 1.00 44.23 H new ATOM 0 HZ PHE A 44 -12.683 -7.393 10.952 1.00 73.54 H new ATOM 745 N GLY A 45 -14.750 0.663 10.767 1.00 74.55 N ATOM 746 CA GLY A 45 -14.893 2.078 11.056 1.00 33.13 C ATOM 747 C GLY A 45 -13.649 2.869 10.704 1.00 54.44 C ATOM 748 O GLY A 45 -13.737 3.962 10.143 1.00 51.23 O ATOM 0 H GLY A 45 -14.307 0.451 9.873 1.00 74.55 H new ATOM 0 HA2 GLY A 45 -15.742 2.475 10.500 1.00 33.13 H new ATOM 0 HA3 GLY A 45 -15.116 2.209 12.115 1.00 33.13 H new ATOM 752 N LEU A 46 -12.486 2.319 11.037 1.00 12.43 N ATOM 753 CA LEU A 46 -11.217 2.982 10.755 1.00 20.12 C ATOM 754 C LEU A 46 -11.228 3.608 9.364 1.00 75.11 C ATOM 755 O LEU A 46 -11.754 3.027 8.416 1.00 4.35 O ATOM 756 CB LEU A 46 -10.062 1.986 10.869 1.00 40.04 C ATOM 757 CG LEU A 46 -9.305 1.986 12.199 1.00 43.31 C ATOM 758 CD1 LEU A 46 -9.429 0.633 12.883 1.00 15.53 C ATOM 759 CD2 LEU A 46 -7.843 2.344 11.979 1.00 72.03 C ATOM 0 H LEU A 46 -12.395 1.416 11.502 1.00 12.43 H new ATOM 0 HA LEU A 46 -11.078 3.775 11.490 1.00 20.12 H new ATOM 0 HB2 LEU A 46 -10.454 0.984 10.697 1.00 40.04 H new ATOM 0 HB3 LEU A 46 -9.351 2.192 10.069 1.00 40.04 H new ATOM 0 HG LEU A 46 -9.749 2.740 12.849 1.00 43.31 H new ATOM 0 HD11 LEU A 46 -8.885 0.651 13.827 1.00 15.53 H new ATOM 0 HD12 LEU A 46 -10.480 0.417 13.074 1.00 15.53 H new ATOM 0 HD13 LEU A 46 -9.011 -0.140 12.238 1.00 15.53 H new ATOM 0 HD21 LEU A 46 -7.319 2.339 12.935 1.00 72.03 H new ATOM 0 HD22 LEU A 46 -7.386 1.613 11.311 1.00 72.03 H new ATOM 0 HD23 LEU A 46 -7.775 3.336 11.533 1.00 72.03 H new ATOM 771 N ALA A 47 -10.641 4.795 9.250 1.00 72.22 N ATOM 772 CA ALA A 47 -10.578 5.497 7.975 1.00 0.45 C ATOM 773 C ALA A 47 -9.508 4.898 7.069 1.00 33.41 C ATOM 774 O ALA A 47 -8.398 4.608 7.514 1.00 53.40 O ATOM 775 CB ALA A 47 -10.312 6.979 8.201 1.00 23.15 C ATOM 0 H ALA A 47 -10.202 5.290 10.026 1.00 72.22 H new ATOM 0 HA ALA A 47 -11.542 5.383 7.478 1.00 0.45 H new ATOM 0 HB1 ALA A 47 -10.267 7.491 7.240 1.00 23.15 H new ATOM 0 HB2 ALA A 47 -11.115 7.405 8.803 1.00 23.15 H new ATOM 0 HB3 ALA A 47 -9.363 7.103 8.723 1.00 23.15 H new ATOM 781 N GLU A 48 -9.850 4.715 5.798 1.00 13.11 N ATOM 782 CA GLU A 48 -8.917 4.147 4.831 1.00 54.41 C ATOM 783 C GLU A 48 -7.765 5.111 4.555 1.00 42.14 C ATOM 784 O GLU A 48 -6.715 4.713 4.055 1.00 33.53 O ATOM 785 CB GLU A 48 -9.641 3.815 3.525 1.00 34.51 C ATOM 786 CG GLU A 48 -10.374 4.998 2.917 1.00 20.22 C ATOM 787 CD GLU A 48 -11.858 4.739 2.745 1.00 2.22 C ATOM 788 OE1 GLU A 48 -12.483 4.221 3.693 1.00 42.51 O ATOM 789 OE2 GLU A 48 -12.395 5.053 1.662 1.00 15.34 O ATOM 0 H GLU A 48 -10.765 4.951 5.414 1.00 13.11 H new ATOM 0 HA GLU A 48 -8.508 3.230 5.255 1.00 54.41 H new ATOM 0 HB2 GLU A 48 -8.916 3.438 2.804 1.00 34.51 H new ATOM 0 HB3 GLU A 48 -10.355 3.012 3.709 1.00 34.51 H new ATOM 0 HG2 GLU A 48 -10.233 5.873 3.551 1.00 20.22 H new ATOM 0 HG3 GLU A 48 -9.935 5.233 1.947 1.00 20.22 H new ATOM 796 N SER A 49 -7.973 6.381 4.887 1.00 12.45 N ATOM 797 CA SER A 49 -6.956 7.404 4.671 1.00 52.05 C ATOM 798 C SER A 49 -5.767 7.192 5.604 1.00 73.24 C ATOM 799 O SER A 49 -4.727 7.836 5.461 1.00 4.35 O ATOM 800 CB SER A 49 -7.549 8.797 4.891 1.00 54.31 C ATOM 801 OG SER A 49 -7.553 9.139 6.266 1.00 10.44 O ATOM 0 H SER A 49 -8.836 6.726 5.306 1.00 12.45 H new ATOM 0 HA SER A 49 -6.607 7.324 3.641 1.00 52.05 H new ATOM 0 HB2 SER A 49 -6.972 9.534 4.332 1.00 54.31 H new ATOM 0 HB3 SER A 49 -8.567 8.828 4.503 1.00 54.31 H new ATOM 0 HG SER A 49 -7.935 10.034 6.379 1.00 10.44 H new ATOM 807 N LEU A 50 -5.929 6.285 6.561 1.00 41.02 N ATOM 808 CA LEU A 50 -4.869 5.986 7.519 1.00 3.33 C ATOM 809 C LEU A 50 -3.845 5.029 6.918 1.00 4.34 C ATOM 810 O LEU A 50 -2.886 4.633 7.580 1.00 71.11 O ATOM 811 CB LEU A 50 -5.462 5.381 8.793 1.00 44.44 C ATOM 812 CG LEU A 50 -6.378 6.297 9.607 1.00 33.25 C ATOM 813 CD1 LEU A 50 -7.095 5.507 10.692 1.00 31.24 C ATOM 814 CD2 LEU A 50 -5.582 7.442 10.216 1.00 30.30 C ATOM 0 H LEU A 50 -6.783 5.744 6.695 1.00 41.02 H new ATOM 0 HA LEU A 50 -4.364 6.920 7.767 1.00 3.33 H new ATOM 0 HB2 LEU A 50 -6.024 4.488 8.520 1.00 44.44 H new ATOM 0 HB3 LEU A 50 -4.642 5.058 9.434 1.00 44.44 H new ATOM 0 HG LEU A 50 -7.128 6.718 8.937 1.00 33.25 H new ATOM 0 HD11 LEU A 50 -7.742 6.175 11.261 1.00 31.24 H new ATOM 0 HD12 LEU A 50 -7.697 4.722 10.233 1.00 31.24 H new ATOM 0 HD13 LEU A 50 -6.361 5.057 11.360 1.00 31.24 H new ATOM 0 HD21 LEU A 50 -6.249 8.083 10.791 1.00 30.30 H new ATOM 0 HD22 LEU A 50 -4.810 7.040 10.872 1.00 30.30 H new ATOM 0 HD23 LEU A 50 -5.115 8.024 9.421 1.00 30.30 H new ATOM 826 N LEU A 51 -4.055 4.662 5.658 1.00 12.51 N ATOM 827 CA LEU A 51 -3.147 3.753 4.966 1.00 5.33 C ATOM 828 C LEU A 51 -1.917 4.496 4.454 1.00 45.12 C ATOM 829 O LEU A 51 -1.044 3.905 3.819 1.00 2.44 O ATOM 830 CB LEU A 51 -3.868 3.073 3.800 1.00 22.23 C ATOM 831 CG LEU A 51 -4.553 1.744 4.118 1.00 64.21 C ATOM 832 CD1 LEU A 51 -5.815 1.580 3.284 1.00 15.33 C ATOM 833 CD2 LEU A 51 -3.600 0.582 3.881 1.00 31.13 C ATOM 0 H LEU A 51 -4.845 4.979 5.096 1.00 12.51 H new ATOM 0 HA LEU A 51 -2.820 2.994 5.677 1.00 5.33 H new ATOM 0 HB2 LEU A 51 -4.618 3.762 3.412 1.00 22.23 H new ATOM 0 HB3 LEU A 51 -3.146 2.905 3.001 1.00 22.23 H new ATOM 0 HG LEU A 51 -4.836 1.746 5.171 1.00 64.21 H new ATOM 0 HD11 LEU A 51 -6.289 0.628 3.524 1.00 15.33 H new ATOM 0 HD12 LEU A 51 -6.505 2.395 3.504 1.00 15.33 H new ATOM 0 HD13 LEU A 51 -5.557 1.600 2.225 1.00 15.33 H new ATOM 0 HD21 LEU A 51 -4.105 -0.356 4.113 1.00 31.13 H new ATOM 0 HD22 LEU A 51 -3.285 0.577 2.837 1.00 31.13 H new ATOM 0 HD23 LEU A 51 -2.726 0.692 4.523 1.00 31.13 H new ATOM 845 N GLU A 52 -1.855 5.793 4.738 1.00 1.43 N ATOM 846 CA GLU A 52 -0.731 6.616 4.307 1.00 30.00 C ATOM 847 C GLU A 52 -0.004 7.216 5.507 1.00 65.11 C ATOM 848 O GLU A 52 0.461 8.354 5.459 1.00 5.31 O ATOM 849 CB GLU A 52 -1.213 7.732 3.379 1.00 2.35 C ATOM 850 CG GLU A 52 -2.390 8.517 3.931 1.00 42.41 C ATOM 851 CD GLU A 52 -2.403 9.959 3.460 1.00 24.54 C ATOM 852 OE1 GLU A 52 -1.362 10.635 3.590 1.00 2.41 O ATOM 853 OE2 GLU A 52 -3.455 10.410 2.961 1.00 21.15 O ATOM 0 H GLU A 52 -2.569 6.296 5.264 1.00 1.43 H new ATOM 0 HA GLU A 52 -0.034 5.978 3.764 1.00 30.00 H new ATOM 0 HB2 GLU A 52 -0.387 8.417 3.189 1.00 2.35 H new ATOM 0 HB3 GLU A 52 -1.494 7.299 2.419 1.00 2.35 H new ATOM 0 HG2 GLU A 52 -3.319 8.032 3.630 1.00 42.41 H new ATOM 0 HG3 GLU A 52 -2.358 8.495 5.020 1.00 42.41 H new ATOM 860 N SER A 53 0.088 6.441 6.584 1.00 23.45 N ATOM 861 CA SER A 53 0.753 6.896 7.799 1.00 11.41 C ATOM 862 C SER A 53 0.959 5.739 8.772 1.00 32.05 C ATOM 863 O SER A 53 0.056 4.933 8.997 1.00 43.30 O ATOM 864 CB SER A 53 -0.064 8.002 8.469 1.00 53.12 C ATOM 865 OG SER A 53 -0.744 7.512 9.612 1.00 51.31 O ATOM 0 H SER A 53 -0.290 5.495 6.639 1.00 23.45 H new ATOM 0 HA SER A 53 1.730 7.293 7.522 1.00 11.41 H new ATOM 0 HB2 SER A 53 0.595 8.821 8.757 1.00 53.12 H new ATOM 0 HB3 SER A 53 -0.785 8.407 7.759 1.00 53.12 H new ATOM 0 HG SER A 53 -0.485 8.038 10.397 1.00 51.31 H new ATOM 871 N LYS A 54 2.155 5.663 9.346 1.00 31.43 N ATOM 872 CA LYS A 54 2.482 4.606 10.295 1.00 53.14 C ATOM 873 C LYS A 54 1.523 4.623 11.480 1.00 45.34 C ATOM 874 O LYS A 54 0.958 3.593 11.848 1.00 3.22 O ATOM 875 CB LYS A 54 3.922 4.765 10.790 1.00 41.31 C ATOM 876 CG LYS A 54 4.236 6.155 11.314 1.00 10.30 C ATOM 877 CD LYS A 54 5.726 6.343 11.542 1.00 10.04 C ATOM 878 CE LYS A 54 6.318 7.345 10.562 1.00 43.42 C ATOM 879 NZ LYS A 54 6.442 8.701 11.163 1.00 54.34 N ATOM 0 H LYS A 54 2.914 6.321 9.170 1.00 31.43 H new ATOM 0 HA LYS A 54 2.383 3.649 9.783 1.00 53.14 H new ATOM 0 HB2 LYS A 54 4.108 4.038 11.580 1.00 41.31 H new ATOM 0 HB3 LYS A 54 4.606 4.531 9.974 1.00 41.31 H new ATOM 0 HG2 LYS A 54 3.879 6.901 10.604 1.00 10.30 H new ATOM 0 HG3 LYS A 54 3.700 6.322 12.249 1.00 10.30 H new ATOM 0 HD2 LYS A 54 5.899 6.685 12.562 1.00 10.04 H new ATOM 0 HD3 LYS A 54 6.235 5.385 11.436 1.00 10.04 H new ATOM 0 HE2 LYS A 54 7.300 7.000 10.239 1.00 43.42 H new ATOM 0 HE3 LYS A 54 5.690 7.398 9.673 1.00 43.42 H new ATOM 0 HZ1 LYS A 54 6.849 9.355 10.464 1.00 54.34 H new ATOM 0 HZ2 LYS A 54 5.502 9.041 11.449 1.00 54.34 H new ATOM 0 HZ3 LYS A 54 7.062 8.656 11.997 1.00 54.34 H new ATOM 893 N GLU A 55 1.341 5.800 12.072 1.00 72.11 N ATOM 894 CA GLU A 55 0.448 5.949 13.215 1.00 52.00 C ATOM 895 C GLU A 55 -0.938 5.396 12.898 1.00 63.13 C ATOM 896 O GLU A 55 -1.529 4.674 13.701 1.00 13.25 O ATOM 897 CB GLU A 55 0.342 7.421 13.619 1.00 10.00 C ATOM 898 CG GLU A 55 1.289 7.815 14.740 1.00 30.13 C ATOM 899 CD GLU A 55 1.525 9.312 14.806 1.00 3.11 C ATOM 900 OE1 GLU A 55 0.613 10.037 15.254 1.00 43.41 O ATOM 901 OE2 GLU A 55 2.622 9.757 14.409 1.00 0.32 O ATOM 0 H GLU A 55 1.800 6.663 11.779 1.00 72.11 H new ATOM 0 HA GLU A 55 0.865 5.381 14.046 1.00 52.00 H new ATOM 0 HB2 GLU A 55 0.545 8.044 12.748 1.00 10.00 H new ATOM 0 HB3 GLU A 55 -0.682 7.631 13.929 1.00 10.00 H new ATOM 0 HG2 GLU A 55 0.882 7.473 15.691 1.00 30.13 H new ATOM 0 HG3 GLU A 55 2.243 7.306 14.600 1.00 30.13 H new ATOM 908 N GLY A 56 -1.452 5.741 11.721 1.00 64.23 N ATOM 909 CA GLY A 56 -2.765 5.271 11.319 1.00 52.14 C ATOM 910 C GLY A 56 -2.804 3.771 11.106 1.00 51.04 C ATOM 911 O GLY A 56 -3.711 3.093 11.590 1.00 71.31 O ATOM 0 H GLY A 56 -0.983 6.337 11.039 1.00 64.23 H new ATOM 0 HA2 GLY A 56 -3.495 5.546 12.081 1.00 52.14 H new ATOM 0 HA3 GLY A 56 -3.061 5.773 10.398 1.00 52.14 H new ATOM 915 N CYS A 57 -1.819 3.252 10.381 1.00 44.01 N ATOM 916 CA CYS A 57 -1.747 1.822 10.103 1.00 33.25 C ATOM 917 C CYS A 57 -1.541 1.028 11.389 1.00 10.41 C ATOM 918 O CYS A 57 -1.952 -0.127 11.489 1.00 31.44 O ATOM 919 CB CYS A 57 -0.611 1.530 9.121 1.00 54.23 C ATOM 920 SG CYS A 57 -1.104 1.589 7.383 1.00 33.50 S ATOM 0 H CYS A 57 -1.060 3.800 9.975 1.00 44.01 H new ATOM 0 HA CYS A 57 -2.692 1.515 9.656 1.00 33.25 H new ATOM 0 HB2 CYS A 57 0.191 2.250 9.285 1.00 54.23 H new ATOM 0 HB3 CYS A 57 -0.202 0.543 9.338 1.00 54.23 H new ATOM 0 HG CYS A 57 -1.086 0.388 6.886 1.00 33.50 H new ATOM 926 N GLN A 58 -0.900 1.656 12.369 1.00 52.33 N ATOM 927 CA GLN A 58 -0.637 1.006 13.648 1.00 2.20 C ATOM 928 C GLN A 58 -1.940 0.677 14.369 1.00 23.41 C ATOM 929 O GLN A 58 -2.070 -0.380 14.986 1.00 61.44 O ATOM 930 CB GLN A 58 0.234 1.903 14.530 1.00 14.13 C ATOM 931 CG GLN A 58 0.661 1.245 15.832 1.00 74.12 C ATOM 932 CD GLN A 58 0.305 2.076 17.050 1.00 33.50 C ATOM 933 OE1 GLN A 58 1.180 2.483 17.815 1.00 75.21 O ATOM 934 NE2 GLN A 58 -0.984 2.333 17.236 1.00 35.24 N ATOM 0 H GLN A 58 -0.553 2.613 12.302 1.00 52.33 H new ATOM 0 HA GLN A 58 -0.106 0.075 13.451 1.00 2.20 H new ATOM 0 HB2 GLN A 58 1.123 2.195 13.971 1.00 14.13 H new ATOM 0 HB3 GLN A 58 -0.314 2.817 14.757 1.00 14.13 H new ATOM 0 HG2 GLN A 58 0.187 0.267 15.913 1.00 74.12 H new ATOM 0 HG3 GLN A 58 1.738 1.077 15.814 1.00 74.12 H new ATOM 0 HE21 GLN A 58 -1.676 1.976 16.577 1.00 35.24 H new ATOM 0 HE22 GLN A 58 -1.283 2.888 18.038 1.00 35.24 H new ATOM 943 N LYS A 59 -2.902 1.589 14.287 1.00 44.34 N ATOM 944 CA LYS A 59 -4.198 1.396 14.930 1.00 55.15 C ATOM 945 C LYS A 59 -4.982 0.280 14.249 1.00 63.23 C ATOM 946 O LYS A 59 -5.911 -0.282 14.830 1.00 32.54 O ATOM 947 CB LYS A 59 -5.004 2.696 14.898 1.00 61.21 C ATOM 948 CG LYS A 59 -5.396 3.203 16.276 1.00 34.23 C ATOM 949 CD LYS A 59 -5.398 4.722 16.329 1.00 61.54 C ATOM 950 CE LYS A 59 -6.800 5.268 16.551 1.00 2.35 C ATOM 951 NZ LYS A 59 -6.780 6.574 17.267 1.00 32.43 N ATOM 0 H LYS A 59 -2.810 2.470 13.781 1.00 44.34 H new ATOM 0 HA LYS A 59 -4.023 1.111 15.967 1.00 55.15 H new ATOM 0 HB2 LYS A 59 -4.420 3.463 14.390 1.00 61.21 H new ATOM 0 HB3 LYS A 59 -5.907 2.540 14.307 1.00 61.21 H new ATOM 0 HG2 LYS A 59 -6.386 2.827 16.535 1.00 34.23 H new ATOM 0 HG3 LYS A 59 -4.702 2.813 17.020 1.00 34.23 H new ATOM 0 HD2 LYS A 59 -4.743 5.060 17.132 1.00 61.54 H new ATOM 0 HD3 LYS A 59 -4.994 5.121 15.398 1.00 61.54 H new ATOM 0 HE2 LYS A 59 -7.299 5.389 15.590 1.00 2.35 H new ATOM 0 HE3 LYS A 59 -7.383 4.548 17.125 1.00 2.35 H new ATOM 0 HZ1 LYS A 59 -7.754 6.913 17.399 1.00 32.43 H new ATOM 0 HZ2 LYS A 59 -6.327 6.454 18.195 1.00 32.43 H new ATOM 0 HZ3 LYS A 59 -6.245 7.268 16.707 1.00 32.43 H new ATOM 965 N ILE A 60 -4.603 -0.036 13.016 1.00 34.31 N ATOM 966 CA ILE A 60 -5.270 -1.087 12.257 1.00 31.02 C ATOM 967 C ILE A 60 -4.833 -2.469 12.730 1.00 44.02 C ATOM 968 O ILE A 60 -5.647 -3.388 12.836 1.00 24.02 O ATOM 969 CB ILE A 60 -4.986 -0.960 10.748 1.00 43.02 C ATOM 970 CG1 ILE A 60 -5.472 0.394 10.228 1.00 52.22 C ATOM 971 CG2 ILE A 60 -5.651 -2.096 9.986 1.00 73.23 C ATOM 972 CD1 ILE A 60 -4.999 0.707 8.826 1.00 4.42 C ATOM 0 H ILE A 60 -3.837 0.421 12.521 1.00 34.31 H new ATOM 0 HA ILE A 60 -6.340 -0.968 12.428 1.00 31.02 H new ATOM 0 HB ILE A 60 -3.910 -1.024 10.589 1.00 43.02 H new ATOM 0 HG12 ILE A 60 -6.562 0.412 10.248 1.00 52.22 H new ATOM 0 HG13 ILE A 60 -5.128 1.178 10.903 1.00 52.22 H new ATOM 0 HG21 ILE A 60 -5.441 -1.992 8.921 1.00 73.23 H new ATOM 0 HG22 ILE A 60 -5.261 -3.050 10.341 1.00 73.23 H new ATOM 0 HG23 ILE A 60 -6.728 -2.061 10.148 1.00 73.23 H new ATOM 0 HD11 ILE A 60 -5.381 1.682 8.522 1.00 4.42 H new ATOM 0 HD12 ILE A 60 -3.909 0.722 8.804 1.00 4.42 H new ATOM 0 HD13 ILE A 60 -5.365 -0.056 8.140 1.00 4.42 H new ATOM 984 N LEU A 61 -3.544 -2.609 13.017 1.00 32.31 N ATOM 985 CA LEU A 61 -2.998 -3.880 13.482 1.00 73.12 C ATOM 986 C LEU A 61 -3.611 -4.279 14.820 1.00 62.23 C ATOM 987 O LEU A 61 -3.966 -5.439 15.033 1.00 4.32 O ATOM 988 CB LEU A 61 -1.477 -3.786 13.614 1.00 30.04 C ATOM 989 CG LEU A 61 -0.690 -3.771 12.302 1.00 55.15 C ATOM 990 CD1 LEU A 61 0.798 -3.605 12.574 1.00 63.21 C ATOM 991 CD2 LEU A 61 -0.950 -5.044 11.510 1.00 0.20 C ATOM 0 H LEU A 61 -2.857 -1.859 12.936 1.00 32.31 H new ATOM 0 HA LEU A 61 -3.247 -4.645 12.746 1.00 73.12 H new ATOM 0 HB2 LEU A 61 -1.236 -2.880 14.170 1.00 30.04 H new ATOM 0 HB3 LEU A 61 -1.131 -4.629 14.213 1.00 30.04 H new ATOM 0 HG LEU A 61 -1.027 -2.922 11.708 1.00 55.15 H new ATOM 0 HD11 LEU A 61 1.342 -3.597 11.629 1.00 63.21 H new ATOM 0 HD12 LEU A 61 0.969 -2.666 13.100 1.00 63.21 H new ATOM 0 HD13 LEU A 61 1.150 -4.434 13.188 1.00 63.21 H new ATOM 0 HD21 LEU A 61 -0.382 -5.016 10.580 1.00 0.20 H new ATOM 0 HD22 LEU A 61 -0.641 -5.908 12.098 1.00 0.20 H new ATOM 0 HD23 LEU A 61 -2.013 -5.121 11.284 1.00 0.20 H new ATOM 1003 N THR A 62 -3.735 -3.310 15.722 1.00 13.41 N ATOM 1004 CA THR A 62 -4.307 -3.559 17.039 1.00 55.13 C ATOM 1005 C THR A 62 -5.768 -3.978 16.934 1.00 1.14 C ATOM 1006 O THR A 62 -6.273 -4.724 17.773 1.00 53.54 O ATOM 1007 CB THR A 62 -4.205 -2.314 17.940 1.00 4.01 C ATOM 1008 OG1 THR A 62 -3.988 -2.709 19.299 1.00 64.55 O ATOM 1009 CG2 THR A 62 -5.470 -1.474 17.847 1.00 2.41 C ATOM 0 H THR A 62 -3.446 -2.345 15.564 1.00 13.41 H new ATOM 0 HA THR A 62 -3.731 -4.370 17.485 1.00 55.13 H new ATOM 0 HB THR A 62 -3.362 -1.713 17.598 1.00 4.01 H new ATOM 0 HG1 THR A 62 -3.923 -1.912 19.865 1.00 64.55 H new ATOM 0 HG21 THR A 62 -5.375 -0.600 18.492 1.00 2.41 H new ATOM 0 HG22 THR A 62 -5.617 -1.150 16.817 1.00 2.41 H new ATOM 0 HG23 THR A 62 -6.326 -2.069 18.166 1.00 2.41 H new ATOM 1017 N VAL A 63 -6.445 -3.495 15.896 1.00 40.45 N ATOM 1018 CA VAL A 63 -7.849 -3.821 15.680 1.00 73.52 C ATOM 1019 C VAL A 63 -8.001 -5.190 15.024 1.00 41.35 C ATOM 1020 O VAL A 63 -8.955 -5.919 15.297 1.00 63.15 O ATOM 1021 CB VAL A 63 -8.542 -2.764 14.801 1.00 44.11 C ATOM 1022 CG1 VAL A 63 -9.977 -3.173 14.504 1.00 43.20 C ATOM 1023 CG2 VAL A 63 -8.497 -1.400 15.473 1.00 61.05 C ATOM 0 H VAL A 63 -6.043 -2.876 15.192 1.00 40.45 H new ATOM 0 HA VAL A 63 -8.325 -3.836 16.661 1.00 73.52 H new ATOM 0 HB VAL A 63 -8.005 -2.696 13.855 1.00 44.11 H new ATOM 0 HG11 VAL A 63 -10.450 -2.414 13.882 1.00 43.20 H new ATOM 0 HG12 VAL A 63 -9.982 -4.128 13.978 1.00 43.20 H new ATOM 0 HG13 VAL A 63 -10.528 -3.271 15.439 1.00 43.20 H new ATOM 0 HG21 VAL A 63 -8.991 -0.665 14.838 1.00 61.05 H new ATOM 0 HG22 VAL A 63 -9.008 -1.451 16.434 1.00 61.05 H new ATOM 0 HG23 VAL A 63 -7.459 -1.105 15.629 1.00 61.05 H new ATOM 1033 N LEU A 64 -7.053 -5.533 14.159 1.00 64.13 N ATOM 1034 CA LEU A 64 -7.081 -6.815 13.464 1.00 53.24 C ATOM 1035 C LEU A 64 -6.508 -7.923 14.342 1.00 63.22 C ATOM 1036 O LEU A 64 -6.794 -9.103 14.137 1.00 2.44 O ATOM 1037 CB LEU A 64 -6.290 -6.726 12.157 1.00 45.20 C ATOM 1038 CG LEU A 64 -6.864 -5.793 11.090 1.00 35.32 C ATOM 1039 CD1 LEU A 64 -6.010 -5.835 9.831 1.00 71.12 C ATOM 1040 CD2 LEU A 64 -8.304 -6.167 10.772 1.00 20.35 C ATOM 0 H LEU A 64 -6.256 -4.942 13.922 1.00 64.13 H new ATOM 0 HA LEU A 64 -8.120 -7.055 13.238 1.00 53.24 H new ATOM 0 HB2 LEU A 64 -5.276 -6.400 12.390 1.00 45.20 H new ATOM 0 HB3 LEU A 64 -6.213 -7.727 11.733 1.00 45.20 H new ATOM 0 HG LEU A 64 -6.852 -4.775 11.480 1.00 35.32 H new ATOM 0 HD11 LEU A 64 -6.433 -5.165 9.082 1.00 71.12 H new ATOM 0 HD12 LEU A 64 -4.995 -5.518 10.069 1.00 71.12 H new ATOM 0 HD13 LEU A 64 -5.990 -6.852 9.439 1.00 71.12 H new ATOM 0 HD21 LEU A 64 -8.696 -5.492 10.011 1.00 20.35 H new ATOM 0 HD22 LEU A 64 -8.341 -7.192 10.402 1.00 20.35 H new ATOM 0 HD23 LEU A 64 -8.909 -6.085 11.675 1.00 20.35 H new ATOM 1052 N ASP A 65 -5.700 -7.535 15.323 1.00 74.44 N ATOM 1053 CA ASP A 65 -5.090 -8.495 16.236 1.00 31.13 C ATOM 1054 C ASP A 65 -6.143 -9.426 16.829 1.00 52.23 C ATOM 1055 O ASP A 65 -6.110 -10.642 16.640 1.00 11.42 O ATOM 1056 CB ASP A 65 -4.346 -7.765 17.356 1.00 42.11 C ATOM 1057 CG ASP A 65 -2.841 -7.860 17.209 1.00 32.33 C ATOM 1058 OD1 ASP A 65 -2.338 -8.978 16.972 1.00 54.11 O ATOM 1059 OD2 ASP A 65 -2.165 -6.816 17.332 1.00 21.52 O ATOM 0 H ASP A 65 -5.452 -6.563 15.506 1.00 74.44 H new ATOM 0 HA ASP A 65 -4.378 -9.096 15.670 1.00 31.13 H new ATOM 0 HB2 ASP A 65 -4.642 -6.716 17.361 1.00 42.11 H new ATOM 0 HB3 ASP A 65 -4.641 -8.184 18.318 1.00 42.11 H new ATOM 1064 N PRO A 66 -7.100 -8.843 17.566 1.00 43.54 N ATOM 1065 CA PRO A 66 -8.181 -9.601 18.204 1.00 73.33 C ATOM 1066 C PRO A 66 -9.169 -10.166 17.189 1.00 43.22 C ATOM 1067 O PRO A 66 -9.913 -11.100 17.487 1.00 51.44 O ATOM 1068 CB PRO A 66 -8.865 -8.563 19.097 1.00 32.32 C ATOM 1069 CG PRO A 66 -8.565 -7.254 18.452 1.00 51.44 C ATOM 1070 CD PRO A 66 -7.201 -7.398 17.835 1.00 31.35 C ATOM 0 HA PRO A 66 -7.805 -10.468 18.748 1.00 73.33 H new ATOM 0 HB2 PRO A 66 -9.939 -8.738 19.157 1.00 32.32 H new ATOM 0 HB3 PRO A 66 -8.479 -8.601 20.116 1.00 32.32 H new ATOM 0 HG2 PRO A 66 -9.312 -7.012 17.696 1.00 51.44 H new ATOM 0 HG3 PRO A 66 -8.579 -6.446 19.184 1.00 51.44 H new ATOM 0 HD2 PRO A 66 -7.109 -6.812 16.921 1.00 31.35 H new ATOM 0 HD3 PRO A 66 -6.416 -7.059 18.511 1.00 31.35 H new ATOM 1078 N MET A 67 -9.170 -9.594 15.989 1.00 44.15 N ATOM 1079 CA MET A 67 -10.066 -10.042 14.930 1.00 65.14 C ATOM 1080 C MET A 67 -9.549 -11.324 14.286 1.00 13.32 C ATOM 1081 O MET A 67 -10.316 -12.092 13.706 1.00 24.13 O ATOM 1082 CB MET A 67 -10.223 -8.951 13.870 1.00 2.03 C ATOM 1083 CG MET A 67 -11.628 -8.374 13.792 1.00 54.53 C ATOM 1084 SD MET A 67 -11.982 -7.227 15.138 1.00 33.01 S ATOM 1085 CE MET A 67 -13.697 -7.621 15.476 1.00 11.51 C ATOM 0 H MET A 67 -8.560 -8.820 15.726 1.00 44.15 H new ATOM 0 HA MET A 67 -11.039 -10.248 15.375 1.00 65.14 H new ATOM 0 HB2 MET A 67 -9.520 -8.146 14.083 1.00 2.03 H new ATOM 0 HB3 MET A 67 -9.953 -9.361 12.897 1.00 2.03 H new ATOM 0 HG2 MET A 67 -11.753 -7.860 12.839 1.00 54.53 H new ATOM 0 HG3 MET A 67 -12.353 -9.188 13.813 1.00 54.53 H new ATOM 0 HE1 MET A 67 -14.138 -6.833 16.086 1.00 11.51 H new ATOM 0 HE2 MET A 67 -14.244 -7.701 14.537 1.00 11.51 H new ATOM 0 HE3 MET A 67 -13.754 -8.569 16.011 1.00 11.51 H new ATOM 1095 N VAL A 68 -8.243 -11.548 14.392 1.00 33.33 N ATOM 1096 CA VAL A 68 -7.624 -12.737 13.819 1.00 54.22 C ATOM 1097 C VAL A 68 -8.283 -14.008 14.345 1.00 54.30 C ATOM 1098 O VAL A 68 -8.796 -14.830 13.586 1.00 51.30 O ATOM 1099 CB VAL A 68 -6.116 -12.788 14.129 1.00 73.35 C ATOM 1100 CG1 VAL A 68 -5.630 -14.228 14.183 1.00 72.42 C ATOM 1101 CG2 VAL A 68 -5.332 -11.992 13.097 1.00 45.50 C ATOM 0 H VAL A 68 -7.594 -10.922 14.869 1.00 33.33 H new ATOM 0 HA VAL A 68 -7.765 -12.679 12.740 1.00 54.22 H new ATOM 0 HB VAL A 68 -5.949 -12.336 15.107 1.00 73.35 H new ATOM 0 HG11 VAL A 68 -4.563 -14.244 14.403 1.00 72.42 H new ATOM 0 HG12 VAL A 68 -6.169 -14.765 14.963 1.00 72.42 H new ATOM 0 HG13 VAL A 68 -5.809 -14.709 13.221 1.00 72.42 H new ATOM 0 HG21 VAL A 68 -4.269 -12.039 13.332 1.00 45.50 H new ATOM 0 HG22 VAL A 68 -5.504 -12.412 12.106 1.00 45.50 H new ATOM 0 HG23 VAL A 68 -5.661 -10.953 13.112 1.00 45.50 H new ATOM 1111 N PRO A 69 -8.269 -14.174 15.676 1.00 5.13 N ATOM 1112 CA PRO A 69 -8.863 -15.341 16.334 1.00 74.20 C ATOM 1113 C PRO A 69 -10.386 -15.342 16.250 1.00 55.12 C ATOM 1114 O PRO A 69 -11.046 -16.247 16.762 1.00 21.14 O ATOM 1115 CB PRO A 69 -8.407 -15.199 17.788 1.00 61.12 C ATOM 1116 CG PRO A 69 -8.167 -13.740 17.969 1.00 13.41 C ATOM 1117 CD PRO A 69 -7.674 -13.234 16.641 1.00 61.32 C ATOM 0 HA PRO A 69 -8.553 -16.275 15.865 1.00 74.20 H new ATOM 0 HB2 PRO A 69 -9.167 -15.564 18.479 1.00 61.12 H new ATOM 0 HB3 PRO A 69 -7.502 -15.776 17.977 1.00 61.12 H new ATOM 0 HG2 PRO A 69 -9.082 -13.228 18.267 1.00 13.41 H new ATOM 0 HG3 PRO A 69 -7.431 -13.560 18.753 1.00 13.41 H new ATOM 0 HD2 PRO A 69 -7.997 -12.210 16.456 1.00 61.32 H new ATOM 0 HD3 PRO A 69 -6.585 -13.239 16.588 1.00 61.32 H new ATOM 1125 N THR A 70 -10.939 -14.321 15.602 1.00 33.51 N ATOM 1126 CA THR A 70 -12.384 -14.204 15.452 1.00 74.13 C ATOM 1127 C THR A 70 -12.758 -13.802 14.031 1.00 11.13 C ATOM 1128 O THR A 70 -13.747 -13.103 13.813 1.00 40.33 O ATOM 1129 CB THR A 70 -12.968 -13.173 16.436 1.00 62.22 C ATOM 1130 OG1 THR A 70 -12.456 -11.869 16.141 1.00 63.32 O ATOM 1131 CG2 THR A 70 -12.630 -13.543 17.873 1.00 13.13 C ATOM 0 H THR A 70 -10.408 -13.563 15.173 1.00 33.51 H new ATOM 0 HA THR A 70 -12.806 -15.185 15.672 1.00 74.13 H new ATOM 0 HB THR A 70 -14.052 -13.171 16.324 1.00 62.22 H new ATOM 0 HG1 THR A 70 -11.677 -11.687 16.707 1.00 63.32 H new ATOM 0 HG21 THR A 70 -13.053 -12.800 18.549 1.00 13.13 H new ATOM 0 HG22 THR A 70 -13.047 -14.523 18.104 1.00 13.13 H new ATOM 0 HG23 THR A 70 -11.547 -13.571 17.996 1.00 13.13 H new ATOM 1139 N GLY A 71 -11.962 -14.249 13.065 1.00 34.21 N ATOM 1140 CA GLY A 71 -12.227 -13.926 11.675 1.00 75.54 C ATOM 1141 C GLY A 71 -11.921 -15.081 10.742 1.00 65.13 C ATOM 1142 O GLY A 71 -11.562 -16.171 11.189 1.00 43.51 O ATOM 0 H GLY A 71 -11.138 -14.829 13.220 1.00 34.21 H new ATOM 0 HA2 GLY A 71 -13.273 -13.641 11.565 1.00 75.54 H new ATOM 0 HA3 GLY A 71 -11.629 -13.061 11.386 1.00 75.54 H new ATOM 1146 N SER A 72 -12.067 -14.845 9.443 1.00 25.25 N ATOM 1147 CA SER A 72 -11.811 -15.877 8.445 1.00 20.31 C ATOM 1148 C SER A 72 -10.684 -15.457 7.506 1.00 10.53 C ATOM 1149 O SER A 72 -9.994 -14.467 7.752 1.00 62.44 O ATOM 1150 CB SER A 72 -13.080 -16.165 7.640 1.00 35.51 C ATOM 1151 OG SER A 72 -13.135 -15.365 6.471 1.00 71.50 O ATOM 0 H SER A 72 -12.361 -13.948 9.056 1.00 25.25 H new ATOM 0 HA SER A 72 -11.507 -16.784 8.967 1.00 20.31 H new ATOM 0 HB2 SER A 72 -13.108 -17.219 7.365 1.00 35.51 H new ATOM 0 HB3 SER A 72 -13.958 -15.973 8.257 1.00 35.51 H new ATOM 0 HG SER A 72 -13.954 -15.569 5.973 1.00 71.50 H new ATOM 1157 N GLU A 73 -10.505 -16.215 6.430 1.00 31.33 N ATOM 1158 CA GLU A 73 -9.461 -15.922 5.454 1.00 12.10 C ATOM 1159 C GLU A 73 -9.549 -14.472 4.983 1.00 23.32 C ATOM 1160 O GLU A 73 -8.543 -13.768 4.921 1.00 2.31 O ATOM 1161 CB GLU A 73 -9.572 -16.867 4.256 1.00 10.15 C ATOM 1162 CG GLU A 73 -8.305 -16.941 3.421 1.00 32.21 C ATOM 1163 CD GLU A 73 -8.495 -17.734 2.142 1.00 71.42 C ATOM 1164 OE1 GLU A 73 -9.394 -18.600 2.110 1.00 43.11 O ATOM 1165 OE2 GLU A 73 -7.744 -17.490 1.175 1.00 13.11 O ATOM 0 H GLU A 73 -11.069 -17.036 6.211 1.00 31.33 H new ATOM 0 HA GLU A 73 -8.495 -16.072 5.936 1.00 12.10 H new ATOM 0 HB2 GLU A 73 -9.820 -17.866 4.614 1.00 10.15 H new ATOM 0 HB3 GLU A 73 -10.397 -16.541 3.622 1.00 10.15 H new ATOM 0 HG2 GLU A 73 -7.978 -15.931 3.173 1.00 32.21 H new ATOM 0 HG3 GLU A 73 -7.511 -17.397 4.012 1.00 32.21 H new ATOM 1172 N ASN A 74 -10.760 -14.037 4.651 1.00 71.04 N ATOM 1173 CA ASN A 74 -10.980 -12.672 4.185 1.00 33.30 C ATOM 1174 C ASN A 74 -10.463 -11.660 5.201 1.00 53.24 C ATOM 1175 O ASN A 74 -10.135 -10.525 4.853 1.00 0.14 O ATOM 1176 CB ASN A 74 -12.468 -12.435 3.922 1.00 62.20 C ATOM 1177 CG ASN A 74 -12.865 -12.769 2.498 1.00 24.13 C ATOM 1178 OD1 ASN A 74 -12.110 -12.521 1.557 1.00 60.41 O ATOM 1179 ND2 ASN A 74 -14.055 -13.335 2.332 1.00 73.31 N ATOM 0 H ASN A 74 -11.603 -14.609 4.696 1.00 71.04 H new ATOM 0 HA ASN A 74 -10.428 -12.539 3.255 1.00 33.30 H new ATOM 0 HB2 ASN A 74 -13.057 -13.040 4.612 1.00 62.20 H new ATOM 0 HB3 ASN A 74 -12.709 -11.392 4.128 1.00 62.20 H new ATOM 0 HD21 ASN A 74 -14.376 -13.582 1.396 1.00 73.31 H new ATOM 0 HD22 ASN A 74 -14.648 -13.522 3.141 1.00 73.31 H new ATOM 1186 N LEU A 75 -10.393 -12.077 6.461 1.00 71.54 N ATOM 1187 CA LEU A 75 -9.916 -11.207 7.530 1.00 31.00 C ATOM 1188 C LEU A 75 -8.402 -11.320 7.688 1.00 44.54 C ATOM 1189 O LEU A 75 -7.691 -10.315 7.690 1.00 43.54 O ATOM 1190 CB LEU A 75 -10.606 -11.561 8.849 1.00 3.40 C ATOM 1191 CG LEU A 75 -10.281 -10.657 10.039 1.00 53.11 C ATOM 1192 CD1 LEU A 75 -11.555 -10.248 10.762 1.00 41.02 C ATOM 1193 CD2 LEU A 75 -9.325 -11.358 10.994 1.00 45.32 C ATOM 0 H LEU A 75 -10.661 -13.012 6.767 1.00 71.54 H new ATOM 0 HA LEU A 75 -10.160 -10.178 7.265 1.00 31.00 H new ATOM 0 HB2 LEU A 75 -11.684 -11.543 8.688 1.00 3.40 H new ATOM 0 HB3 LEU A 75 -10.340 -12.585 9.112 1.00 3.40 H new ATOM 0 HG LEU A 75 -9.795 -9.756 9.665 1.00 53.11 H new ATOM 0 HD11 LEU A 75 -11.304 -9.605 11.606 1.00 41.02 H new ATOM 0 HD12 LEU A 75 -12.206 -9.707 10.075 1.00 41.02 H new ATOM 0 HD13 LEU A 75 -12.069 -11.138 11.124 1.00 41.02 H new ATOM 0 HD21 LEU A 75 -9.104 -10.701 11.835 1.00 45.32 H new ATOM 0 HD22 LEU A 75 -9.785 -12.275 11.361 1.00 45.32 H new ATOM 0 HD23 LEU A 75 -8.400 -11.600 10.470 1.00 45.32 H new ATOM 1205 N LYS A 76 -7.916 -12.549 7.820 1.00 63.24 N ATOM 1206 CA LYS A 76 -6.488 -12.794 7.976 1.00 70.32 C ATOM 1207 C LYS A 76 -5.701 -12.185 6.820 1.00 43.33 C ATOM 1208 O LYS A 76 -4.563 -11.750 6.992 1.00 65.15 O ATOM 1209 CB LYS A 76 -6.214 -14.299 8.056 1.00 52.22 C ATOM 1210 CG LYS A 76 -6.163 -14.832 9.477 1.00 65.33 C ATOM 1211 CD LYS A 76 -7.112 -16.005 9.667 1.00 44.51 C ATOM 1212 CE LYS A 76 -7.241 -16.386 11.133 1.00 41.11 C ATOM 1213 NZ LYS A 76 -7.974 -17.669 11.311 1.00 24.33 N ATOM 0 H LYS A 76 -8.491 -13.392 7.822 1.00 63.24 H new ATOM 0 HA LYS A 76 -6.163 -12.321 8.903 1.00 70.32 H new ATOM 0 HB2 LYS A 76 -6.989 -14.831 7.505 1.00 52.22 H new ATOM 0 HB3 LYS A 76 -5.267 -14.514 7.562 1.00 52.22 H new ATOM 0 HG2 LYS A 76 -5.146 -15.144 9.713 1.00 65.33 H new ATOM 0 HG3 LYS A 76 -6.423 -14.036 10.175 1.00 65.33 H new ATOM 0 HD2 LYS A 76 -8.094 -15.748 9.269 1.00 44.51 H new ATOM 0 HD3 LYS A 76 -6.752 -16.862 9.098 1.00 44.51 H new ATOM 0 HE2 LYS A 76 -6.248 -16.471 11.575 1.00 41.11 H new ATOM 0 HE3 LYS A 76 -7.762 -15.593 11.670 1.00 41.11 H new ATOM 0 HZ1 LYS A 76 -8.040 -17.893 12.324 1.00 24.33 H new ATOM 0 HZ2 LYS A 76 -8.931 -17.580 10.913 1.00 24.33 H new ATOM 0 HZ3 LYS A 76 -7.464 -18.431 10.821 1.00 24.33 H new ATOM 1227 N SER A 77 -6.317 -12.154 5.643 1.00 60.20 N ATOM 1228 CA SER A 77 -5.673 -11.599 4.458 1.00 63.41 C ATOM 1229 C SER A 77 -5.277 -10.145 4.687 1.00 11.32 C ATOM 1230 O SER A 77 -4.198 -9.711 4.277 1.00 25.22 O ATOM 1231 CB SER A 77 -6.607 -11.702 3.250 1.00 1.51 C ATOM 1232 OG SER A 77 -6.315 -12.852 2.476 1.00 34.31 O ATOM 0 H SER A 77 -7.261 -12.506 5.484 1.00 60.20 H new ATOM 0 HA SER A 77 -4.770 -12.176 4.260 1.00 63.41 H new ATOM 0 HB2 SER A 77 -7.642 -11.741 3.589 1.00 1.51 H new ATOM 0 HB3 SER A 77 -6.508 -10.809 2.632 1.00 1.51 H new ATOM 0 HG SER A 77 -6.927 -12.896 1.711 1.00 34.31 H new ATOM 1238 N LEU A 78 -6.155 -9.394 5.343 1.00 73.33 N ATOM 1239 CA LEU A 78 -5.898 -7.987 5.627 1.00 62.30 C ATOM 1240 C LEU A 78 -4.801 -7.835 6.677 1.00 23.41 C ATOM 1241 O LEU A 78 -3.910 -6.997 6.541 1.00 42.54 O ATOM 1242 CB LEU A 78 -7.179 -7.301 6.107 1.00 74.03 C ATOM 1243 CG LEU A 78 -7.022 -5.867 6.616 1.00 32.42 C ATOM 1244 CD1 LEU A 78 -6.840 -4.906 5.452 1.00 44.13 C ATOM 1245 CD2 LEU A 78 -8.223 -5.467 7.460 1.00 11.35 C ATOM 0 H LEU A 78 -7.052 -9.737 5.688 1.00 73.33 H new ATOM 0 HA LEU A 78 -5.562 -7.511 4.706 1.00 62.30 H new ATOM 0 HB2 LEU A 78 -7.895 -7.297 5.285 1.00 74.03 H new ATOM 0 HB3 LEU A 78 -7.613 -7.903 6.905 1.00 74.03 H new ATOM 0 HG LEU A 78 -6.132 -5.818 7.243 1.00 32.42 H new ATOM 0 HD11 LEU A 78 -6.730 -3.890 5.832 1.00 44.13 H new ATOM 0 HD12 LEU A 78 -5.948 -5.181 4.889 1.00 44.13 H new ATOM 0 HD13 LEU A 78 -7.711 -4.956 4.799 1.00 44.13 H new ATOM 0 HD21 LEU A 78 -8.095 -4.444 7.814 1.00 11.35 H new ATOM 0 HD22 LEU A 78 -9.129 -5.531 6.857 1.00 11.35 H new ATOM 0 HD23 LEU A 78 -8.307 -6.139 8.314 1.00 11.35 H new ATOM 1257 N PHE A 79 -4.872 -8.653 7.722 1.00 23.22 N ATOM 1258 CA PHE A 79 -3.885 -8.610 8.794 1.00 73.40 C ATOM 1259 C PHE A 79 -2.469 -8.702 8.233 1.00 40.34 C ATOM 1260 O PHE A 79 -1.568 -7.991 8.677 1.00 1.31 O ATOM 1261 CB PHE A 79 -4.128 -9.751 9.785 1.00 3.32 C ATOM 1262 CG PHE A 79 -3.421 -9.564 11.098 1.00 25.43 C ATOM 1263 CD1 PHE A 79 -3.443 -8.339 11.744 1.00 63.00 C ATOM 1264 CD2 PHE A 79 -2.735 -10.616 11.686 1.00 5.55 C ATOM 1265 CE1 PHE A 79 -2.795 -8.165 12.952 1.00 42.31 C ATOM 1266 CE2 PHE A 79 -2.086 -10.447 12.894 1.00 34.21 C ATOM 1267 CZ PHE A 79 -2.115 -9.219 13.527 1.00 35.53 C ATOM 0 H PHE A 79 -5.603 -9.353 7.849 1.00 23.22 H new ATOM 0 HA PHE A 79 -3.990 -7.658 9.314 1.00 73.40 H new ATOM 0 HB2 PHE A 79 -5.199 -9.842 9.967 1.00 3.32 H new ATOM 0 HB3 PHE A 79 -3.801 -10.688 9.335 1.00 3.32 H new ATOM 0 HD1 PHE A 79 -3.973 -7.510 11.298 1.00 63.00 H new ATOM 0 HD2 PHE A 79 -2.708 -11.577 11.195 1.00 5.55 H new ATOM 0 HE1 PHE A 79 -2.821 -7.205 13.446 1.00 42.31 H new ATOM 0 HE2 PHE A 79 -1.556 -11.274 13.343 1.00 34.21 H new ATOM 0 HZ PHE A 79 -1.606 -9.084 14.470 1.00 35.53 H new ATOM 1277 N ASN A 80 -2.282 -9.582 7.256 1.00 73.22 N ATOM 1278 CA ASN A 80 -0.975 -9.769 6.636 1.00 11.53 C ATOM 1279 C ASN A 80 -0.609 -8.567 5.770 1.00 32.45 C ATOM 1280 O ASN A 80 0.544 -8.134 5.744 1.00 31.23 O ATOM 1281 CB ASN A 80 -0.966 -11.043 5.789 1.00 44.33 C ATOM 1282 CG ASN A 80 -0.543 -12.263 6.585 1.00 15.54 C ATOM 1283 OD1 ASN A 80 -1.380 -13.011 7.088 1.00 33.25 O ATOM 1284 ND2 ASN A 80 0.765 -12.466 6.703 1.00 71.22 N ATOM 0 H ASN A 80 -3.018 -10.177 6.876 1.00 73.22 H new ATOM 0 HA ASN A 80 -0.234 -9.864 7.429 1.00 11.53 H new ATOM 0 HB2 ASN A 80 -1.961 -11.209 5.376 1.00 44.33 H new ATOM 0 HB3 ASN A 80 -0.289 -10.910 4.945 1.00 44.33 H new ATOM 0 HD21 ASN A 80 1.111 -13.269 7.228 1.00 71.22 H new ATOM 0 HD22 ASN A 80 1.423 -11.819 6.269 1.00 71.22 H new ATOM 1291 N THR A 81 -1.597 -8.031 5.060 1.00 23.41 N ATOM 1292 CA THR A 81 -1.381 -6.881 4.193 1.00 15.31 C ATOM 1293 C THR A 81 -1.015 -5.643 5.002 1.00 51.14 C ATOM 1294 O THR A 81 -0.152 -4.861 4.605 1.00 42.32 O ATOM 1295 CB THR A 81 -2.628 -6.575 3.342 1.00 72.10 C ATOM 1296 OG1 THR A 81 -3.003 -7.733 2.588 1.00 31.22 O ATOM 1297 CG2 THR A 81 -2.367 -5.411 2.399 1.00 24.34 C ATOM 0 H THR A 81 -2.557 -8.377 5.069 1.00 23.41 H new ATOM 0 HA THR A 81 -0.553 -7.137 3.531 1.00 15.31 H new ATOM 0 HB THR A 81 -3.441 -6.301 4.014 1.00 72.10 H new ATOM 0 HG1 THR A 81 -3.407 -8.396 3.186 1.00 31.22 H new ATOM 0 HG21 THR A 81 -3.262 -5.213 1.809 1.00 24.34 H new ATOM 0 HG22 THR A 81 -2.111 -4.524 2.978 1.00 24.34 H new ATOM 0 HG23 THR A 81 -1.541 -5.660 1.733 1.00 24.34 H new ATOM 1305 N VAL A 82 -1.678 -5.470 6.142 1.00 44.54 N ATOM 1306 CA VAL A 82 -1.421 -4.327 7.010 1.00 43.40 C ATOM 1307 C VAL A 82 0.012 -4.341 7.530 1.00 23.34 C ATOM 1308 O VAL A 82 0.592 -3.292 7.810 1.00 24.04 O ATOM 1309 CB VAL A 82 -2.390 -4.302 8.207 1.00 75.32 C ATOM 1310 CG1 VAL A 82 -2.102 -3.107 9.103 1.00 32.31 C ATOM 1311 CG2 VAL A 82 -3.833 -4.282 7.725 1.00 11.42 C ATOM 0 H VAL A 82 -2.397 -6.107 6.485 1.00 44.54 H new ATOM 0 HA VAL A 82 -1.576 -3.432 6.408 1.00 43.40 H new ATOM 0 HB VAL A 82 -2.239 -5.209 8.792 1.00 75.32 H new ATOM 0 HG11 VAL A 82 -2.797 -3.106 9.943 1.00 32.31 H new ATOM 0 HG12 VAL A 82 -1.080 -3.171 9.477 1.00 32.31 H new ATOM 0 HG13 VAL A 82 -2.223 -2.187 8.532 1.00 32.31 H new ATOM 0 HG21 VAL A 82 -4.503 -4.264 8.584 1.00 11.42 H new ATOM 0 HG22 VAL A 82 -4.001 -3.394 7.116 1.00 11.42 H new ATOM 0 HG23 VAL A 82 -4.030 -5.173 7.129 1.00 11.42 H new ATOM 1321 N CYS A 83 0.576 -5.537 7.656 1.00 34.24 N ATOM 1322 CA CYS A 83 1.944 -5.689 8.142 1.00 2.14 C ATOM 1323 C CYS A 83 2.944 -5.117 7.142 1.00 63.21 C ATOM 1324 O CYS A 83 3.988 -4.589 7.526 1.00 30.30 O ATOM 1325 CB CYS A 83 2.253 -7.164 8.403 1.00 63.40 C ATOM 1326 SG CYS A 83 1.557 -7.801 9.946 1.00 21.31 S ATOM 0 H CYS A 83 0.109 -6.415 7.429 1.00 34.24 H new ATOM 0 HA CYS A 83 2.035 -5.135 9.076 1.00 2.14 H new ATOM 0 HB2 CYS A 83 1.871 -7.757 7.572 1.00 63.40 H new ATOM 0 HB3 CYS A 83 3.334 -7.300 8.421 1.00 63.40 H new ATOM 0 HG CYS A 83 0.277 -7.977 9.805 1.00 21.31 H new ATOM 1332 N VAL A 84 2.617 -5.227 5.858 1.00 74.14 N ATOM 1333 CA VAL A 84 3.487 -4.721 4.803 1.00 32.35 C ATOM 1334 C VAL A 84 3.372 -3.207 4.674 1.00 42.11 C ATOM 1335 O VAL A 84 4.378 -2.505 4.567 1.00 45.25 O ATOM 1336 CB VAL A 84 3.155 -5.368 3.445 1.00 73.11 C ATOM 1337 CG1 VAL A 84 3.989 -4.741 2.337 1.00 54.02 C ATOM 1338 CG2 VAL A 84 3.376 -6.872 3.503 1.00 42.23 C ATOM 0 H VAL A 84 1.757 -5.662 5.524 1.00 74.14 H new ATOM 0 HA VAL A 84 4.508 -4.982 5.082 1.00 32.35 H new ATOM 0 HB VAL A 84 2.103 -5.187 3.223 1.00 73.11 H new ATOM 0 HG11 VAL A 84 3.741 -5.210 1.385 1.00 54.02 H new ATOM 0 HG12 VAL A 84 3.776 -3.673 2.281 1.00 54.02 H new ATOM 0 HG13 VAL A 84 5.048 -4.890 2.550 1.00 54.02 H new ATOM 0 HG21 VAL A 84 3.137 -7.313 2.535 1.00 42.23 H new ATOM 0 HG22 VAL A 84 4.418 -7.077 3.747 1.00 42.23 H new ATOM 0 HG23 VAL A 84 2.732 -7.305 4.268 1.00 42.23 H new ATOM 1348 N ILE A 85 2.139 -2.709 4.686 1.00 74.52 N ATOM 1349 CA ILE A 85 1.893 -1.277 4.572 1.00 22.30 C ATOM 1350 C ILE A 85 2.580 -0.511 5.697 1.00 42.51 C ATOM 1351 O ILE A 85 3.394 0.378 5.449 1.00 20.04 O ATOM 1352 CB ILE A 85 0.385 -0.962 4.596 1.00 72.23 C ATOM 1353 CG1 ILE A 85 -0.341 -1.754 3.507 1.00 54.14 C ATOM 1354 CG2 ILE A 85 0.154 0.530 4.418 1.00 3.11 C ATOM 1355 CD1 ILE A 85 0.004 -1.307 2.104 1.00 71.33 C ATOM 0 H ILE A 85 1.296 -3.276 4.774 1.00 74.52 H new ATOM 0 HA ILE A 85 2.307 -0.960 3.615 1.00 22.30 H new ATOM 0 HB ILE A 85 -0.019 -1.259 5.564 1.00 72.23 H new ATOM 0 HG12 ILE A 85 -0.097 -2.811 3.613 1.00 54.14 H new ATOM 0 HG13 ILE A 85 -1.417 -1.659 3.656 1.00 54.14 H new ATOM 0 HG21 ILE A 85 -0.916 0.737 4.437 1.00 3.11 H new ATOM 0 HG22 ILE A 85 0.643 1.073 5.227 1.00 3.11 H new ATOM 0 HG23 ILE A 85 0.569 0.851 3.462 1.00 3.11 H new ATOM 0 HD11 ILE A 85 -0.547 -1.912 1.384 1.00 71.33 H new ATOM 0 HD12 ILE A 85 -0.266 -0.258 1.979 1.00 71.33 H new ATOM 0 HD13 ILE A 85 1.074 -1.428 1.936 1.00 71.33 H new ATOM 1367 N TRP A 86 2.247 -0.862 6.933 1.00 42.45 N ATOM 1368 CA TRP A 86 2.833 -0.206 8.098 1.00 65.42 C ATOM 1369 C TRP A 86 4.352 -0.147 7.981 1.00 70.33 C ATOM 1370 O TRP A 86 4.964 0.887 8.253 1.00 22.23 O ATOM 1371 CB TRP A 86 2.436 -0.944 9.377 1.00 42.03 C ATOM 1372 CG TRP A 86 2.976 -0.309 10.622 1.00 41.41 C ATOM 1373 CD1 TRP A 86 2.327 0.571 11.442 1.00 11.14 C ATOM 1374 CD2 TRP A 86 4.277 -0.501 11.188 1.00 15.34 C ATOM 1375 NE1 TRP A 86 3.147 0.937 12.482 1.00 23.15 N ATOM 1376 CE2 TRP A 86 4.348 0.293 12.350 1.00 21.54 C ATOM 1377 CE3 TRP A 86 5.389 -1.268 10.826 1.00 65.43 C ATOM 1378 CZ2 TRP A 86 5.486 0.340 13.150 1.00 15.05 C ATOM 1379 CZ3 TRP A 86 6.518 -1.220 11.621 1.00 42.22 C ATOM 1380 CH2 TRP A 86 6.560 -0.421 12.772 1.00 71.11 C ATOM 0 H TRP A 86 1.575 -1.596 7.156 1.00 42.45 H new ATOM 0 HA TRP A 86 2.450 0.814 8.142 1.00 65.42 H new ATOM 0 HB2 TRP A 86 1.349 -0.985 9.441 1.00 42.03 H new ATOM 0 HB3 TRP A 86 2.791 -1.973 9.319 1.00 42.03 H new ATOM 0 HD1 TRP A 86 1.318 0.926 11.294 1.00 11.14 H new ATOM 0 HE1 TRP A 86 2.901 1.584 13.231 1.00 23.15 H new ATOM 0 HE3 TRP A 86 5.366 -1.887 9.941 1.00 65.43 H new ATOM 0 HZ2 TRP A 86 5.521 0.955 14.037 1.00 15.05 H new ATOM 0 HZ3 TRP A 86 7.383 -1.808 11.351 1.00 42.22 H new ATOM 0 HH2 TRP A 86 7.457 -0.405 13.373 1.00 71.11 H new ATOM 1391 N CYS A 87 4.954 -1.260 7.577 1.00 2.41 N ATOM 1392 CA CYS A 87 6.403 -1.334 7.425 1.00 42.10 C ATOM 1393 C CYS A 87 6.915 -0.203 6.539 1.00 2.34 C ATOM 1394 O CYS A 87 7.869 0.492 6.891 1.00 24.32 O ATOM 1395 CB CYS A 87 6.806 -2.685 6.833 1.00 64.22 C ATOM 1396 SG CYS A 87 7.293 -3.915 8.065 1.00 42.22 S ATOM 0 H CYS A 87 4.461 -2.124 7.349 1.00 2.41 H new ATOM 0 HA CYS A 87 6.853 -1.230 8.412 1.00 42.10 H new ATOM 0 HB2 CYS A 87 5.972 -3.079 6.252 1.00 64.22 H new ATOM 0 HB3 CYS A 87 7.633 -2.534 6.140 1.00 64.22 H new ATOM 0 HG CYS A 87 7.614 -5.024 7.468 1.00 42.22 H new ATOM 1402 N ILE A 88 6.276 -0.026 5.387 1.00 4.43 N ATOM 1403 CA ILE A 88 6.668 1.020 4.450 1.00 45.32 C ATOM 1404 C ILE A 88 6.734 2.379 5.139 1.00 41.43 C ATOM 1405 O ILE A 88 7.611 3.193 4.848 1.00 4.31 O ATOM 1406 CB ILE A 88 5.691 1.106 3.263 1.00 3.43 C ATOM 1407 CG1 ILE A 88 5.655 -0.222 2.506 1.00 63.34 C ATOM 1408 CG2 ILE A 88 6.089 2.242 2.331 1.00 53.15 C ATOM 1409 CD1 ILE A 88 4.359 -0.459 1.761 1.00 52.12 C ATOM 0 H ILE A 88 5.485 -0.593 5.080 1.00 4.43 H new ATOM 0 HA ILE A 88 7.658 0.756 4.078 1.00 45.32 H new ATOM 0 HB ILE A 88 4.692 1.310 3.648 1.00 3.43 H new ATOM 0 HG12 ILE A 88 6.482 -0.249 1.797 1.00 63.34 H new ATOM 0 HG13 ILE A 88 5.813 -1.037 3.212 1.00 63.34 H new ATOM 0 HG21 ILE A 88 5.389 2.290 1.497 1.00 53.15 H new ATOM 0 HG22 ILE A 88 6.068 3.185 2.877 1.00 53.15 H new ATOM 0 HG23 ILE A 88 7.095 2.065 1.951 1.00 53.15 H new ATOM 0 HD11 ILE A 88 4.405 -1.419 1.248 1.00 52.12 H new ATOM 0 HD12 ILE A 88 3.529 -0.465 2.467 1.00 52.12 H new ATOM 0 HD13 ILE A 88 4.209 0.336 1.031 1.00 52.12 H new ATOM 1421 N HIS A 89 5.802 2.617 6.057 1.00 33.10 N ATOM 1422 CA HIS A 89 5.755 3.877 6.791 1.00 23.20 C ATOM 1423 C HIS A 89 6.846 3.924 7.858 1.00 2.20 C ATOM 1424 O HIS A 89 7.337 5.022 8.116 1.00 61.13 O ATOM 1425 CB HIS A 89 4.383 4.064 7.440 1.00 23.02 C ATOM 1426 CG HIS A 89 3.250 4.051 6.460 1.00 31.43 C ATOM 1427 ND1 HIS A 89 3.226 4.836 5.326 1.00 54.23 N ATOM 1428 CD2 HIS A 89 2.099 3.339 6.447 1.00 54.41 C ATOM 1429 CE1 HIS A 89 2.109 4.609 4.660 1.00 63.34 C ATOM 1430 NE2 HIS A 89 1.407 3.704 5.319 1.00 24.15 N ATOM 0 H HIS A 89 5.069 1.954 6.310 1.00 33.10 H new ATOM 0 HA HIS A 89 5.927 4.688 6.083 1.00 23.20 H new ATOM 0 HB2 HIS A 89 4.227 3.274 8.174 1.00 23.02 H new ATOM 0 HB3 HIS A 89 4.373 5.009 7.982 1.00 23.02 H new ATOM 0 HD2 HIS A 89 1.784 2.618 7.187 1.00 54.41 H new ATOM 0 HE1 HIS A 89 1.818 5.083 3.734 1.00 63.34 H new ATOM 0 HE2 HIS A 89 0.499 3.336 5.036 1.00 24.15 H new ATOM 1438 N ALA A 90 7.222 2.802 8.463 1.00 34.21 N ATOM 1439 CA ALA A 90 8.260 2.797 9.486 1.00 13.11 C ATOM 1440 C ALA A 90 9.644 2.645 8.863 1.00 70.12 C ATOM 1441 O ALA A 90 10.618 2.357 9.558 1.00 42.04 O ATOM 1442 CB ALA A 90 8.005 1.683 10.491 1.00 53.44 C ATOM 0 H ALA A 90 6.823 1.885 8.262 1.00 34.21 H new ATOM 0 HA ALA A 90 8.228 3.754 10.006 1.00 13.11 H new ATOM 0 HB1 ALA A 90 8.788 1.691 11.249 1.00 53.44 H new ATOM 0 HB2 ALA A 90 7.037 1.837 10.967 1.00 53.44 H new ATOM 0 HB3 ALA A 90 8.007 0.722 9.977 1.00 53.44 H new ATOM 1448 N GLU A 91 9.722 2.839 7.551 1.00 32.52 N ATOM 1449 CA GLU A 91 10.988 2.721 6.835 1.00 64.34 C ATOM 1450 C GLU A 91 11.452 1.267 6.788 1.00 54.41 C ATOM 1451 O GLU A 91 12.567 0.976 6.357 1.00 62.50 O ATOM 1452 CB GLU A 91 12.058 3.588 7.501 1.00 71.41 C ATOM 1453 CG GLU A 91 13.185 3.989 6.564 1.00 3.10 C ATOM 1454 CD GLU A 91 14.540 3.982 7.245 1.00 23.10 C ATOM 1455 OE1 GLU A 91 14.841 4.949 7.977 1.00 3.25 O ATOM 1456 OE2 GLU A 91 15.299 3.011 7.047 1.00 1.34 O ATOM 0 H GLU A 91 8.925 3.078 6.962 1.00 32.52 H new ATOM 0 HA GLU A 91 10.833 3.069 5.814 1.00 64.34 H new ATOM 0 HB2 GLU A 91 11.589 4.488 7.898 1.00 71.41 H new ATOM 0 HB3 GLU A 91 12.477 3.046 8.349 1.00 71.41 H new ATOM 0 HG2 GLU A 91 13.206 3.307 5.714 1.00 3.10 H new ATOM 0 HG3 GLU A 91 12.987 4.985 6.168 1.00 3.10 H new ATOM 1463 N GLU A 92 10.589 0.361 7.236 1.00 44.33 N ATOM 1464 CA GLU A 92 10.911 -1.061 7.246 1.00 53.45 C ATOM 1465 C GLU A 92 10.824 -1.648 5.841 1.00 65.53 C ATOM 1466 O GLU A 92 9.852 -1.421 5.119 1.00 52.45 O ATOM 1467 CB GLU A 92 9.966 -1.814 8.186 1.00 34.42 C ATOM 1468 CG GLU A 92 10.233 -1.550 9.658 1.00 12.33 C ATOM 1469 CD GLU A 92 11.201 -2.547 10.264 1.00 60.55 C ATOM 1470 OE1 GLU A 92 12.114 -3.002 9.544 1.00 32.10 O ATOM 1471 OE2 GLU A 92 11.045 -2.872 11.460 1.00 34.20 O ATOM 0 H GLU A 92 9.662 0.586 7.597 1.00 44.33 H new ATOM 0 HA GLU A 92 11.934 -1.174 7.605 1.00 53.45 H new ATOM 0 HB2 GLU A 92 8.938 -1.533 7.956 1.00 34.42 H new ATOM 0 HB3 GLU A 92 10.054 -2.884 7.996 1.00 34.42 H new ATOM 0 HG2 GLU A 92 10.633 -0.543 9.776 1.00 12.33 H new ATOM 0 HG3 GLU A 92 9.291 -1.585 10.206 1.00 12.33 H new ATOM 1478 N LYS A 93 11.846 -2.406 5.458 1.00 14.55 N ATOM 1479 CA LYS A 93 11.887 -3.027 4.140 1.00 24.32 C ATOM 1480 C LYS A 93 11.842 -4.548 4.254 1.00 43.22 C ATOM 1481 O LYS A 93 12.554 -5.141 5.064 1.00 20.24 O ATOM 1482 CB LYS A 93 13.150 -2.599 3.390 1.00 14.21 C ATOM 1483 CG LYS A 93 13.393 -1.100 3.414 1.00 12.10 C ATOM 1484 CD LYS A 93 14.417 -0.718 4.470 1.00 30.11 C ATOM 1485 CE LYS A 93 14.954 0.687 4.242 1.00 53.34 C ATOM 1486 NZ LYS A 93 16.435 0.744 4.388 1.00 45.31 N ATOM 0 H LYS A 93 12.658 -2.605 6.043 1.00 14.55 H new ATOM 0 HA LYS A 93 11.011 -2.695 3.582 1.00 24.32 H new ATOM 0 HB2 LYS A 93 14.011 -3.105 3.827 1.00 14.21 H new ATOM 0 HB3 LYS A 93 13.077 -2.930 2.354 1.00 14.21 H new ATOM 0 HG2 LYS A 93 13.739 -0.771 2.434 1.00 12.10 H new ATOM 0 HG3 LYS A 93 12.455 -0.581 3.611 1.00 12.10 H new ATOM 0 HD2 LYS A 93 13.962 -0.779 5.459 1.00 30.11 H new ATOM 0 HD3 LYS A 93 15.241 -1.431 4.454 1.00 30.11 H new ATOM 0 HE2 LYS A 93 14.674 1.026 3.245 1.00 53.34 H new ATOM 0 HE3 LYS A 93 14.492 1.372 4.953 1.00 53.34 H new ATOM 0 HZ1 LYS A 93 16.763 1.718 4.225 1.00 45.31 H new ATOM 0 HZ2 LYS A 93 16.701 0.445 5.348 1.00 45.31 H new ATOM 0 HZ3 LYS A 93 16.877 0.109 3.693 1.00 45.31 H new ATOM 1500 N VAL A 94 11.000 -5.174 3.437 1.00 1.44 N ATOM 1501 CA VAL A 94 10.864 -6.625 3.444 1.00 62.41 C ATOM 1502 C VAL A 94 10.868 -7.185 2.026 1.00 31.22 C ATOM 1503 O VAL A 94 10.276 -6.604 1.116 1.00 70.42 O ATOM 1504 CB VAL A 94 9.569 -7.063 4.154 1.00 72.50 C ATOM 1505 CG1 VAL A 94 9.513 -6.493 5.564 1.00 21.25 C ATOM 1506 CG2 VAL A 94 8.351 -6.639 3.349 1.00 51.34 C ATOM 0 H VAL A 94 10.402 -4.698 2.762 1.00 1.44 H new ATOM 0 HA VAL A 94 11.721 -7.021 3.989 1.00 62.41 H new ATOM 0 HB VAL A 94 9.566 -8.150 4.228 1.00 72.50 H new ATOM 0 HG11 VAL A 94 8.591 -6.813 6.050 1.00 21.25 H new ATOM 0 HG12 VAL A 94 10.368 -6.853 6.136 1.00 21.25 H new ATOM 0 HG13 VAL A 94 9.539 -5.404 5.518 1.00 21.25 H new ATOM 0 HG21 VAL A 94 7.445 -6.957 3.865 1.00 51.34 H new ATOM 0 HG22 VAL A 94 8.346 -5.554 3.241 1.00 51.34 H new ATOM 0 HG23 VAL A 94 8.388 -7.102 2.363 1.00 51.34 H new ATOM 1516 N LYS A 95 11.539 -8.317 1.845 1.00 33.15 N ATOM 1517 CA LYS A 95 11.620 -8.958 0.538 1.00 24.05 C ATOM 1518 C LYS A 95 10.279 -9.577 0.152 1.00 35.40 C ATOM 1519 O LYS A 95 9.797 -9.388 -0.964 1.00 25.24 O ATOM 1520 CB LYS A 95 12.709 -10.033 0.541 1.00 24.54 C ATOM 1521 CG LYS A 95 13.926 -9.669 -0.292 1.00 64.24 C ATOM 1522 CD LYS A 95 15.216 -10.074 0.400 1.00 61.53 C ATOM 1523 CE LYS A 95 15.367 -11.587 0.457 1.00 61.23 C ATOM 1524 NZ LYS A 95 16.772 -12.014 0.212 1.00 73.00 N ATOM 0 H LYS A 95 12.035 -8.810 2.588 1.00 33.15 H new ATOM 0 HA LYS A 95 11.874 -8.196 -0.198 1.00 24.05 H new ATOM 0 HB2 LYS A 95 13.024 -10.216 1.568 1.00 24.54 H new ATOM 0 HB3 LYS A 95 12.288 -10.966 0.166 1.00 24.54 H new ATOM 0 HG2 LYS A 95 13.863 -10.160 -1.263 1.00 64.24 H new ATOM 0 HG3 LYS A 95 13.933 -8.595 -0.478 1.00 64.24 H new ATOM 0 HD2 LYS A 95 16.065 -9.642 -0.130 1.00 61.53 H new ATOM 0 HD3 LYS A 95 15.231 -9.667 1.411 1.00 61.53 H new ATOM 0 HE2 LYS A 95 15.043 -11.948 1.433 1.00 61.23 H new ATOM 0 HE3 LYS A 95 14.714 -12.045 -0.285 1.00 61.23 H new ATOM 0 HZ1 LYS A 95 16.833 -13.051 0.259 1.00 73.00 H new ATOM 0 HZ2 LYS A 95 17.073 -11.692 -0.730 1.00 73.00 H new ATOM 0 HZ3 LYS A 95 17.393 -11.598 0.935 1.00 73.00 H new ATOM 1538 N ASP A 96 9.685 -10.316 1.082 1.00 32.22 N ATOM 1539 CA ASP A 96 8.399 -10.961 0.840 1.00 52.44 C ATOM 1540 C ASP A 96 7.440 -10.714 2.000 1.00 54.25 C ATOM 1541 O ASP A 96 7.864 -10.517 3.140 1.00 34.41 O ATOM 1542 CB ASP A 96 8.590 -12.464 0.631 1.00 33.15 C ATOM 1543 CG ASP A 96 9.452 -13.093 1.707 1.00 22.30 C ATOM 1544 OD1 ASP A 96 9.527 -12.525 2.816 1.00 40.33 O ATOM 1545 OD2 ASP A 96 10.050 -14.157 1.441 1.00 12.41 O ATOM 0 H ASP A 96 10.073 -10.484 2.010 1.00 32.22 H new ATOM 0 HA ASP A 96 7.967 -10.528 -0.063 1.00 52.44 H new ATOM 0 HB2 ASP A 96 7.616 -12.953 0.618 1.00 33.15 H new ATOM 0 HB3 ASP A 96 9.046 -12.637 -0.344 1.00 33.15 H new ATOM 1550 N THR A 97 6.144 -10.724 1.704 1.00 13.52 N ATOM 1551 CA THR A 97 5.125 -10.498 2.721 1.00 34.52 C ATOM 1552 C THR A 97 5.433 -11.284 3.990 1.00 72.52 C ATOM 1553 O THR A 97 5.198 -10.805 5.099 1.00 75.52 O ATOM 1554 CB THR A 97 3.727 -10.896 2.212 1.00 52.31 C ATOM 1555 OG1 THR A 97 3.348 -10.056 1.116 1.00 1.23 O ATOM 1556 CG2 THR A 97 2.695 -10.783 3.324 1.00 4.13 C ATOM 0 H THR A 97 5.775 -10.886 0.767 1.00 13.52 H new ATOM 0 HA THR A 97 5.132 -9.431 2.946 1.00 34.52 H new ATOM 0 HB THR A 97 3.767 -11.933 1.878 1.00 52.31 H new ATOM 0 HG1 THR A 97 2.668 -9.416 1.414 1.00 1.23 H new ATOM 0 HG21 THR A 97 1.715 -11.069 2.942 1.00 4.13 H new ATOM 0 HG22 THR A 97 2.971 -11.444 4.145 1.00 4.13 H new ATOM 0 HG23 THR A 97 2.658 -9.755 3.683 1.00 4.13 H new ATOM 1564 N GLU A 98 5.961 -12.493 3.820 1.00 14.10 N ATOM 1565 CA GLU A 98 6.301 -13.344 4.954 1.00 50.22 C ATOM 1566 C GLU A 98 7.203 -12.604 5.939 1.00 20.33 C ATOM 1567 O GLU A 98 6.920 -12.548 7.135 1.00 22.05 O ATOM 1568 CB GLU A 98 6.992 -14.621 4.473 1.00 32.41 C ATOM 1569 CG GLU A 98 6.142 -15.455 3.530 1.00 20.42 C ATOM 1570 CD GLU A 98 4.924 -16.047 4.211 1.00 70.45 C ATOM 1571 OE1 GLU A 98 5.078 -16.609 5.317 1.00 11.00 O ATOM 1572 OE2 GLU A 98 3.817 -15.950 3.642 1.00 0.54 O ATOM 0 H GLU A 98 6.162 -12.904 2.908 1.00 14.10 H new ATOM 0 HA GLU A 98 5.376 -13.611 5.465 1.00 50.22 H new ATOM 0 HB2 GLU A 98 7.922 -14.354 3.970 1.00 32.41 H new ATOM 0 HB3 GLU A 98 7.260 -15.227 5.338 1.00 32.41 H new ATOM 0 HG2 GLU A 98 5.820 -14.835 2.693 1.00 20.42 H new ATOM 0 HG3 GLU A 98 6.749 -16.260 3.116 1.00 20.42 H new ATOM 1579 N GLY A 99 8.291 -12.038 5.426 1.00 30.02 N ATOM 1580 CA GLY A 99 9.218 -11.311 6.272 1.00 20.10 C ATOM 1581 C GLY A 99 8.576 -10.110 6.937 1.00 65.23 C ATOM 1582 O GLY A 99 8.972 -9.713 8.033 1.00 30.00 O ATOM 0 H GLY A 99 8.547 -12.070 4.439 1.00 30.02 H new ATOM 0 HA2 GLY A 99 9.608 -11.981 7.038 1.00 20.10 H new ATOM 0 HA3 GLY A 99 10.068 -10.981 5.675 1.00 20.10 H new ATOM 1586 N ALA A 100 7.582 -9.528 6.273 1.00 21.42 N ATOM 1587 CA ALA A 100 6.884 -8.366 6.807 1.00 2.31 C ATOM 1588 C ALA A 100 6.125 -8.719 8.082 1.00 42.11 C ATOM 1589 O ALA A 100 6.142 -7.966 9.056 1.00 42.41 O ATOM 1590 CB ALA A 100 5.931 -7.797 5.765 1.00 35.41 C ATOM 0 H ALA A 100 7.243 -9.843 5.364 1.00 21.42 H new ATOM 0 HA ALA A 100 7.628 -7.609 7.055 1.00 2.31 H new ATOM 0 HB1 ALA A 100 5.416 -6.929 6.178 1.00 35.41 H new ATOM 0 HB2 ALA A 100 6.495 -7.498 4.881 1.00 35.41 H new ATOM 0 HB3 ALA A 100 5.199 -8.556 5.489 1.00 35.41 H new ATOM 1596 N LYS A 101 5.459 -9.869 8.069 1.00 70.13 N ATOM 1597 CA LYS A 101 4.694 -10.323 9.225 1.00 32.24 C ATOM 1598 C LYS A 101 5.620 -10.709 10.373 1.00 54.22 C ATOM 1599 O LYS A 101 5.249 -10.606 11.543 1.00 34.24 O ATOM 1600 CB LYS A 101 3.814 -11.515 8.843 1.00 71.50 C ATOM 1601 CG LYS A 101 2.408 -11.442 9.413 1.00 0.23 C ATOM 1602 CD LYS A 101 1.848 -12.825 9.699 1.00 34.45 C ATOM 1603 CE LYS A 101 2.058 -13.222 11.151 1.00 41.14 C ATOM 1604 NZ LYS A 101 0.775 -13.578 11.820 1.00 15.30 N ATOM 0 H LYS A 101 5.433 -10.504 7.271 1.00 70.13 H new ATOM 0 HA LYS A 101 4.059 -9.501 9.555 1.00 32.24 H new ATOM 0 HB2 LYS A 101 3.753 -11.577 7.756 1.00 71.50 H new ATOM 0 HB3 LYS A 101 4.290 -12.433 9.189 1.00 71.50 H new ATOM 0 HG2 LYS A 101 2.417 -10.855 10.332 1.00 0.23 H new ATOM 0 HG3 LYS A 101 1.756 -10.923 8.710 1.00 0.23 H new ATOM 0 HD2 LYS A 101 0.783 -12.843 9.466 1.00 34.45 H new ATOM 0 HD3 LYS A 101 2.329 -13.555 9.048 1.00 34.45 H new ATOM 0 HE2 LYS A 101 2.741 -14.070 11.201 1.00 41.14 H new ATOM 0 HE3 LYS A 101 2.531 -12.400 11.688 1.00 41.14 H new ATOM 0 HZ1 LYS A 101 0.961 -13.843 12.808 1.00 15.30 H new ATOM 0 HZ2 LYS A 101 0.132 -12.761 11.795 1.00 15.30 H new ATOM 0 HZ3 LYS A 101 0.335 -14.379 11.324 1.00 15.30 H new ATOM 1618 N GLN A 102 6.827 -11.150 10.032 1.00 51.54 N ATOM 1619 CA GLN A 102 7.806 -11.550 11.037 1.00 12.44 C ATOM 1620 C GLN A 102 8.369 -10.332 11.763 1.00 1.53 C ATOM 1621 O GLN A 102 8.586 -10.366 12.974 1.00 74.02 O ATOM 1622 CB GLN A 102 8.942 -12.340 10.385 1.00 70.44 C ATOM 1623 CG GLN A 102 9.858 -13.025 11.386 1.00 74.30 C ATOM 1624 CD GLN A 102 11.326 -12.806 11.079 1.00 3.21 C ATOM 1625 OE1 GLN A 102 11.793 -13.099 9.978 1.00 3.41 O ATOM 1626 NE2 GLN A 102 12.064 -12.287 12.054 1.00 41.01 N ATOM 0 H GLN A 102 7.150 -11.239 9.069 1.00 51.54 H new ATOM 0 HA GLN A 102 7.303 -12.185 11.767 1.00 12.44 H new ATOM 0 HB2 GLN A 102 8.516 -13.092 9.721 1.00 70.44 H new ATOM 0 HB3 GLN A 102 9.534 -11.666 9.766 1.00 70.44 H new ATOM 0 HG2 GLN A 102 9.640 -12.651 12.387 1.00 74.30 H new ATOM 0 HG3 GLN A 102 9.648 -14.095 11.392 1.00 74.30 H new ATOM 0 HE21 GLN A 102 11.636 -12.059 12.951 1.00 41.01 H new ATOM 0 HE22 GLN A 102 13.059 -12.117 11.905 1.00 41.01 H new ATOM 1635 N ILE A 103 8.602 -9.258 11.014 1.00 70.34 N ATOM 1636 CA ILE A 103 9.139 -8.031 11.588 1.00 15.23 C ATOM 1637 C ILE A 103 8.073 -7.283 12.381 1.00 42.21 C ATOM 1638 O ILE A 103 8.326 -6.810 13.489 1.00 54.05 O ATOM 1639 CB ILE A 103 9.700 -7.099 10.498 1.00 1.30 C ATOM 1640 CG1 ILE A 103 10.858 -7.778 9.763 1.00 12.13 C ATOM 1641 CG2 ILE A 103 10.153 -5.781 11.109 1.00 61.43 C ATOM 1642 CD1 ILE A 103 11.362 -6.991 8.573 1.00 71.11 C ATOM 0 H ILE A 103 8.427 -9.214 10.010 1.00 70.34 H new ATOM 0 HA ILE A 103 9.948 -8.323 12.257 1.00 15.23 H new ATOM 0 HB ILE A 103 8.909 -6.890 9.777 1.00 1.30 H new ATOM 0 HG12 ILE A 103 11.681 -7.932 10.461 1.00 12.13 H new ATOM 0 HG13 ILE A 103 10.536 -8.764 9.427 1.00 12.13 H new ATOM 0 HG21 ILE A 103 10.547 -5.133 10.326 1.00 61.43 H new ATOM 0 HG22 ILE A 103 9.306 -5.293 11.591 1.00 61.43 H new ATOM 0 HG23 ILE A 103 10.931 -5.971 11.848 1.00 61.43 H new ATOM 0 HD11 ILE A 103 12.182 -7.531 8.100 1.00 71.11 H new ATOM 0 HD12 ILE A 103 10.553 -6.859 7.855 1.00 71.11 H new ATOM 0 HD13 ILE A 103 11.715 -6.015 8.905 1.00 71.11 H new ATOM 1654 N VAL A 104 6.879 -7.180 11.807 1.00 22.02 N ATOM 1655 CA VAL A 104 5.772 -6.491 12.460 1.00 74.22 C ATOM 1656 C VAL A 104 5.342 -7.223 13.727 1.00 60.42 C ATOM 1657 O VAL A 104 5.186 -6.614 14.786 1.00 33.22 O ATOM 1658 CB VAL A 104 4.559 -6.359 11.520 1.00 54.34 C ATOM 1659 CG1 VAL A 104 3.386 -5.724 12.250 1.00 22.14 C ATOM 1660 CG2 VAL A 104 4.930 -5.552 10.285 1.00 30.11 C ATOM 0 H VAL A 104 6.653 -7.565 10.890 1.00 22.02 H new ATOM 0 HA VAL A 104 6.129 -5.495 12.721 1.00 74.22 H new ATOM 0 HB VAL A 104 4.258 -7.356 11.198 1.00 54.34 H new ATOM 0 HG11 VAL A 104 2.538 -5.639 11.571 1.00 22.14 H new ATOM 0 HG12 VAL A 104 3.108 -6.345 13.101 1.00 22.14 H new ATOM 0 HG13 VAL A 104 3.670 -4.732 12.602 1.00 22.14 H new ATOM 0 HG21 VAL A 104 4.062 -5.468 9.631 1.00 30.11 H new ATOM 0 HG22 VAL A 104 5.256 -4.556 10.585 1.00 30.11 H new ATOM 0 HG23 VAL A 104 5.738 -6.053 9.752 1.00 30.11 H new ATOM 1670 N ARG A 105 5.151 -8.534 13.612 1.00 13.34 N ATOM 1671 CA ARG A 105 4.738 -9.348 14.748 1.00 33.55 C ATOM 1672 C ARG A 105 5.651 -9.113 15.947 1.00 75.00 C ATOM 1673 O ARG A 105 5.182 -8.872 17.059 1.00 22.14 O ATOM 1674 CB ARG A 105 4.748 -10.830 14.368 1.00 72.43 C ATOM 1675 CG ARG A 105 4.287 -11.748 15.489 1.00 23.31 C ATOM 1676 CD ARG A 105 4.321 -13.208 15.063 1.00 4.31 C ATOM 1677 NE ARG A 105 3.154 -13.945 15.540 1.00 23.20 N ATOM 1678 CZ ARG A 105 3.102 -15.270 15.617 1.00 0.44 C ATOM 1679 NH1 ARG A 105 4.146 -16.000 15.250 1.00 70.24 N ATOM 1680 NH2 ARG A 105 2.004 -15.868 16.062 1.00 5.21 N ATOM 0 H ARG A 105 5.276 -9.054 12.744 1.00 13.34 H new ATOM 0 HA ARG A 105 3.725 -9.056 15.024 1.00 33.55 H new ATOM 0 HB2 ARG A 105 4.105 -10.979 13.500 1.00 72.43 H new ATOM 0 HB3 ARG A 105 5.757 -11.113 14.069 1.00 72.43 H new ATOM 0 HG2 ARG A 105 4.925 -11.607 16.361 1.00 23.31 H new ATOM 0 HG3 ARG A 105 3.274 -11.479 15.788 1.00 23.31 H new ATOM 0 HD2 ARG A 105 4.367 -13.267 13.976 1.00 4.31 H new ATOM 0 HD3 ARG A 105 5.227 -13.677 15.447 1.00 4.31 H new ATOM 0 HE ARG A 105 2.334 -13.413 15.830 1.00 23.20 H new ATOM 0 HH11 ARG A 105 4.992 -15.544 14.908 1.00 70.24 H new ATOM 0 HH12 ARG A 105 4.103 -17.017 15.310 1.00 70.24 H new ATOM 0 HH21 ARG A 105 1.199 -15.310 16.345 1.00 5.21 H new ATOM 0 HH22 ARG A 105 1.966 -16.886 16.121 1.00 5.21 H new ATOM 1694 N ARG A 106 6.958 -9.185 15.713 1.00 13.33 N ATOM 1695 CA ARG A 106 7.937 -8.982 16.774 1.00 4.50 C ATOM 1696 C ARG A 106 7.726 -7.633 17.455 1.00 75.13 C ATOM 1697 O ARG A 106 8.054 -7.461 18.630 1.00 53.15 O ATOM 1698 CB ARG A 106 9.356 -9.064 16.209 1.00 71.15 C ATOM 1699 CG ARG A 106 9.907 -10.479 16.150 1.00 20.34 C ATOM 1700 CD ARG A 106 10.808 -10.777 17.338 1.00 60.34 C ATOM 1701 NE ARG A 106 10.053 -11.270 18.488 1.00 5.14 N ATOM 1702 CZ ARG A 106 10.602 -11.934 19.498 1.00 62.02 C ATOM 1703 NH1 ARG A 106 11.904 -12.184 19.501 1.00 24.12 N ATOM 1704 NH2 ARG A 106 9.849 -12.350 20.508 1.00 3.14 N ATOM 0 H ARG A 106 7.363 -9.382 14.798 1.00 13.33 H new ATOM 0 HA ARG A 106 7.803 -9.770 17.515 1.00 4.50 H new ATOM 0 HB2 ARG A 106 9.364 -8.638 15.206 1.00 71.15 H new ATOM 0 HB3 ARG A 106 10.018 -8.451 16.821 1.00 71.15 H new ATOM 0 HG2 ARG A 106 9.082 -11.191 16.130 1.00 20.34 H new ATOM 0 HG3 ARG A 106 10.467 -10.614 15.225 1.00 20.34 H new ATOM 0 HD2 ARG A 106 11.554 -11.517 17.050 1.00 60.34 H new ATOM 0 HD3 ARG A 106 11.348 -9.873 17.619 1.00 60.34 H new ATOM 0 HE ARG A 106 9.049 -11.094 18.516 1.00 5.14 H new ATOM 0 HH11 ARG A 106 12.486 -11.866 18.726 1.00 24.12 H new ATOM 0 HH12 ARG A 106 12.324 -12.694 20.278 1.00 24.12 H new ATOM 0 HH21 ARG A 106 8.847 -12.160 20.509 1.00 3.14 H new ATOM 0 HH22 ARG A 106 10.272 -12.860 21.283 1.00 3.14 H new ATOM 1718 N HIS A 107 7.178 -6.678 16.711 1.00 42.01 N ATOM 1719 CA HIS A 107 6.923 -5.343 17.243 1.00 50.13 C ATOM 1720 C HIS A 107 5.603 -5.307 18.008 1.00 61.05 C ATOM 1721 O HIS A 107 5.483 -4.457 18.891 1.00 43.21 O ATOM 1722 CB HIS A 107 6.898 -4.315 16.112 1.00 32.04 C ATOM 1723 CG HIS A 107 8.221 -4.142 15.430 1.00 61.31 C ATOM 1724 ND1 HIS A 107 9.425 -4.183 16.101 1.00 60.25 N ATOM 1725 CD2 HIS A 107 8.526 -3.929 14.129 1.00 65.00 C ATOM 1726 CE1 HIS A 107 10.411 -4.001 15.243 1.00 12.23 C ATOM 1727 NE2 HIS A 107 9.892 -3.845 14.038 1.00 21.15 N ATOM 0 H HIS A 107 6.902 -6.803 15.737 1.00 42.01 H new ATOM 0 HA HIS A 107 7.730 -5.093 17.932 1.00 50.13 H new ATOM 0 HB2 HIS A 107 6.155 -4.617 15.374 1.00 32.04 H new ATOM 0 HB3 HIS A 107 6.577 -3.354 16.513 1.00 32.04 H new ATOM 0 HD2 HIS A 107 7.824 -3.841 13.313 1.00 65.00 H new ATOM 0 HE1 HIS A 107 11.463 -3.983 15.485 1.00 12.23 H new ATOM 0 HE2 HIS A 107 10.421 -3.688 13.180 1.00 21.15 H new ATOM 1735 N LEU A 108 4.644 -6.176 17.705 1.00 51.13 N ATOM 1736 CA LEU A 108 3.366 -6.180 18.409 1.00 1.45 C ATOM 1737 C LEU A 108 3.460 -6.981 19.703 1.00 1.14 C ATOM 1738 O LEU A 108 2.950 -6.562 20.743 1.00 11.34 O ATOM 1739 CB LEU A 108 2.271 -6.762 17.513 1.00 34.32 C ATOM 1740 CG LEU A 108 1.947 -5.968 16.246 1.00 72.25 C ATOM 1741 CD1 LEU A 108 0.902 -6.694 15.414 1.00 70.44 C ATOM 1742 CD2 LEU A 108 1.471 -4.568 16.601 1.00 44.55 C ATOM 0 H LEU A 108 4.727 -6.886 16.977 1.00 51.13 H new ATOM 0 HA LEU A 108 3.113 -5.150 18.659 1.00 1.45 H new ATOM 0 HB2 LEU A 108 2.566 -7.770 17.221 1.00 34.32 H new ATOM 0 HB3 LEU A 108 1.359 -6.855 18.102 1.00 34.32 H new ATOM 0 HG LEU A 108 2.857 -5.880 15.652 1.00 72.25 H new ATOM 0 HD11 LEU A 108 0.684 -6.114 14.517 1.00 70.44 H new ATOM 0 HD12 LEU A 108 1.281 -7.675 15.129 1.00 70.44 H new ATOM 0 HD13 LEU A 108 -0.010 -6.814 15.999 1.00 70.44 H new ATOM 0 HD21 LEU A 108 1.245 -4.018 15.687 1.00 44.55 H new ATOM 0 HD22 LEU A 108 0.574 -4.634 17.216 1.00 44.55 H new ATOM 0 HD23 LEU A 108 2.253 -4.047 17.154 1.00 44.55 H new