USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 684 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 46 GLN : amide:sc= -9.28! C(o=-11!,f=-11!) USER MOD Set 1.2: A 76 TYR OH : rot -130:sc= -1.25! USER MOD Single : A 9 SER OG : rot -155:sc= -1.47 USER MOD Single : A 19 THR OG1 : rot 180:sc= 1.02 USER MOD Single : A 26 HIS :FLIP no HD1:sc= -7.06! C(o=-7.8!,f=-7.1!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 100:sc= -1.82 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.00558 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.00214 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -47:sc= -1.37! USER MOD Single : A 92 SER OG : rot -62:sc= -0.392 USER MOD Single : A 93 ASN : amide:sc= -3.24! C(o=-3.2!,f=-11!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -2.04! C(o=-2!,f=-4.4!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 5.052 16.783 -5.169 1.00 0.00 N ATOM 67 CA LEU A 8 4.359 15.891 -4.255 1.00 0.00 C ATOM 68 C LEU A 8 5.307 14.769 -3.828 1.00 0.00 C ATOM 69 O LEU A 8 5.797 14.013 -4.666 1.00 0.00 O ATOM 70 CB LEU A 8 3.056 15.390 -4.880 1.00 0.00 C ATOM 71 CG LEU A 8 2.335 14.272 -4.124 1.00 0.00 C ATOM 72 CD1 LEU A 8 1.729 14.794 -2.820 1.00 0.00 C ATOM 73 CD2 LEU A 8 1.288 13.596 -5.011 1.00 0.00 C ATOM 0 HA LEU A 8 4.067 16.424 -3.350 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.374 16.235 -4.976 1.00 0.00 H new ATOM 0 HB3 LEU A 8 3.272 15.039 -5.889 1.00 0.00 H new ATOM 0 HG LEU A 8 3.070 13.512 -3.857 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.223 13.979 -2.302 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.520 15.191 -2.184 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.012 15.584 -3.043 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.791 12.805 -4.449 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.551 14.333 -5.330 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.775 13.167 -5.887 1.00 0.00 H new ATOM 85 N SER A 9 5.538 14.695 -2.526 1.00 0.00 N ATOM 86 CA SER A 9 6.419 13.678 -1.978 1.00 0.00 C ATOM 87 C SER A 9 5.633 12.391 -1.715 1.00 0.00 C ATOM 88 O SER A 9 4.460 12.440 -1.350 1.00 0.00 O ATOM 89 CB SER A 9 7.087 14.164 -0.690 1.00 0.00 C ATOM 90 OG SER A 9 8.137 15.091 -0.950 1.00 0.00 O ATOM 0 H SER A 9 5.130 15.323 -1.834 1.00 0.00 H new ATOM 0 HA SER A 9 7.203 13.475 -2.708 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.340 14.633 -0.049 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.485 13.309 -0.143 1.00 0.00 H new ATOM 0 HG SER A 9 8.777 15.077 -0.208 1.00 0.00 H new ATOM 96 N PRO A 10 6.330 11.241 -1.917 1.00 0.00 N ATOM 97 CA PRO A 10 5.710 9.944 -1.707 1.00 0.00 C ATOM 98 C PRO A 10 5.572 9.638 -0.214 1.00 0.00 C ATOM 99 O PRO A 10 6.096 10.370 0.624 1.00 0.00 O ATOM 100 CB PRO A 10 6.608 8.956 -2.434 1.00 0.00 C ATOM 101 CG PRO A 10 7.937 9.667 -2.630 1.00 0.00 C ATOM 102 CD PRO A 10 7.721 11.145 -2.350 1.00 0.00 C ATOM 0 HA PRO A 10 4.692 9.897 -2.094 1.00 0.00 H new ATOM 0 HB2 PRO A 10 6.736 8.043 -1.852 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.175 8.666 -3.391 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.692 9.258 -1.958 1.00 0.00 H new ATOM 0 HG3 PRO A 10 8.302 9.520 -3.647 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.402 11.505 -1.579 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.901 11.747 -3.241 1.00 0.00 H new ATOM 110 N PRO A 11 4.844 8.528 0.080 1.00 0.00 N ATOM 111 CA PRO A 11 4.630 8.116 1.457 1.00 0.00 C ATOM 112 C PRO A 11 5.894 7.486 2.044 1.00 0.00 C ATOM 113 O PRO A 11 6.859 7.236 1.324 1.00 0.00 O ATOM 114 CB PRO A 11 3.456 7.152 1.402 1.00 0.00 C ATOM 115 CG PRO A 11 3.355 6.701 -0.046 1.00 0.00 C ATOM 116 CD PRO A 11 4.208 7.637 -0.887 1.00 0.00 C ATOM 0 HA PRO A 11 4.408 8.955 2.117 1.00 0.00 H new ATOM 0 HB2 PRO A 11 3.617 6.302 2.065 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.536 7.639 1.725 1.00 0.00 H new ATOM 0 HG2 PRO A 11 3.701 5.673 -0.150 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.318 6.724 -0.382 1.00 0.00 H new ATOM 0 HD2 PRO A 11 4.950 7.085 -1.465 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.600 8.195 -1.599 1.00 0.00 H new ATOM 124 N ARG A 12 5.848 7.246 3.346 1.00 0.00 N ATOM 125 CA ARG A 12 6.978 6.649 4.038 1.00 0.00 C ATOM 126 C ARG A 12 6.488 5.681 5.117 1.00 0.00 C ATOM 127 O ARG A 12 5.285 5.550 5.339 1.00 0.00 O ATOM 128 CB ARG A 12 7.855 7.722 4.686 1.00 0.00 C ATOM 129 CG ARG A 12 7.561 9.102 4.096 1.00 0.00 C ATOM 130 CD ARG A 12 8.326 10.194 4.846 1.00 0.00 C ATOM 131 NE ARG A 12 7.734 10.396 6.188 1.00 0.00 N ATOM 132 CZ ARG A 12 8.114 9.728 7.285 1.00 0.00 C ATOM 133 NH1 ARG A 12 9.088 8.811 7.207 1.00 0.00 N ATOM 134 NH2 ARG A 12 7.521 9.977 8.461 1.00 0.00 N ATOM 0 H ARG A 12 5.046 7.454 3.940 1.00 0.00 H new ATOM 0 HA ARG A 12 7.571 6.107 3.301 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.680 7.738 5.762 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.906 7.476 4.537 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.838 9.117 3.042 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.491 9.303 4.147 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.375 9.915 4.941 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.294 11.126 4.281 1.00 0.00 H new ATOM 0 HE ARG A 12 6.990 11.087 6.283 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.540 8.622 6.312 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.378 8.302 8.042 1.00 0.00 H new ATOM 0 HH21 ARG A 12 6.780 10.675 8.521 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.811 9.468 9.296 1.00 0.00 H new ATOM 148 N GLY A 13 7.445 5.026 5.757 1.00 0.00 N ATOM 149 CA GLY A 13 7.127 4.073 6.807 1.00 0.00 C ATOM 150 C GLY A 13 6.027 3.109 6.357 1.00 0.00 C ATOM 151 O GLY A 13 5.109 2.810 7.118 1.00 0.00 O ATOM 0 H GLY A 13 8.441 5.136 5.569 1.00 0.00 H new ATOM 0 HA2 GLY A 13 8.021 3.510 7.076 1.00 0.00 H new ATOM 0 HA3 GLY A 13 6.805 4.606 7.702 1.00 0.00 H new ATOM 155 N LEU A 14 6.158 2.648 5.121 1.00 0.00 N ATOM 156 CA LEU A 14 5.187 1.724 4.561 1.00 0.00 C ATOM 157 C LEU A 14 5.520 0.302 5.017 1.00 0.00 C ATOM 158 O LEU A 14 6.659 -0.144 4.887 1.00 0.00 O ATOM 159 CB LEU A 14 5.113 1.881 3.040 1.00 0.00 C ATOM 160 CG LEU A 14 4.111 0.977 2.321 1.00 0.00 C ATOM 161 CD1 LEU A 14 4.513 -0.494 2.442 1.00 0.00 C ATOM 162 CD2 LEU A 14 2.688 1.226 2.825 1.00 0.00 C ATOM 0 H LEU A 14 6.922 2.897 4.492 1.00 0.00 H new ATOM 0 HA LEU A 14 4.187 1.952 4.931 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.865 2.918 2.813 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.104 1.693 2.627 1.00 0.00 H new ATOM 0 HG LEU A 14 4.125 1.228 1.260 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.783 -1.115 1.922 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.497 -0.640 1.996 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.546 -0.777 3.494 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.995 0.570 2.297 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.639 1.020 3.894 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.414 2.265 2.643 1.00 0.00 H new ATOM 174 N VAL A 15 4.506 -0.370 5.541 1.00 0.00 N ATOM 175 CA VAL A 15 4.678 -1.732 6.018 1.00 0.00 C ATOM 176 C VAL A 15 3.359 -2.492 5.861 1.00 0.00 C ATOM 177 O VAL A 15 2.318 -1.889 5.603 1.00 0.00 O ATOM 178 CB VAL A 15 5.195 -1.722 7.458 1.00 0.00 C ATOM 179 CG1 VAL A 15 6.688 -1.390 7.502 1.00 0.00 C ATOM 180 CG2 VAL A 15 4.391 -0.749 8.322 1.00 0.00 C ATOM 0 H VAL A 15 3.562 0.003 5.646 1.00 0.00 H new ATOM 0 HA VAL A 15 5.427 -2.254 5.423 1.00 0.00 H new ATOM 0 HB VAL A 15 5.062 -2.723 7.869 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.030 -1.389 8.537 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.244 -2.138 6.936 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.855 -0.406 7.064 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.779 -0.761 9.341 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.477 0.258 7.913 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.343 -1.049 8.329 1.00 0.00 H new ATOM 190 N ALA A 16 3.446 -3.804 6.024 1.00 0.00 N ATOM 191 CA ALA A 16 2.273 -4.652 5.904 1.00 0.00 C ATOM 192 C ALA A 16 2.285 -5.694 7.024 1.00 0.00 C ATOM 193 O ALA A 16 3.263 -6.422 7.189 1.00 0.00 O ATOM 194 CB ALA A 16 2.245 -5.292 4.514 1.00 0.00 C ATOM 0 H ALA A 16 4.311 -4.300 6.238 1.00 0.00 H new ATOM 0 HA ALA A 16 1.362 -4.063 6.011 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.365 -5.928 4.424 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.207 -4.511 3.755 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.143 -5.893 4.372 1.00 0.00 H new ATOM 200 N VAL A 17 1.188 -5.732 7.766 1.00 0.00 N ATOM 201 CA VAL A 17 1.060 -6.672 8.866 1.00 0.00 C ATOM 202 C VAL A 17 -0.045 -7.680 8.544 1.00 0.00 C ATOM 203 O VAL A 17 -1.192 -7.299 8.320 1.00 0.00 O ATOM 204 CB VAL A 17 0.817 -5.916 10.175 1.00 0.00 C ATOM 205 CG1 VAL A 17 0.007 -4.642 9.929 1.00 0.00 C ATOM 206 CG2 VAL A 17 0.130 -6.813 11.206 1.00 0.00 C ATOM 0 H VAL A 17 0.379 -5.126 7.627 1.00 0.00 H new ATOM 0 HA VAL A 17 1.985 -7.234 8.997 1.00 0.00 H new ATOM 0 HB VAL A 17 1.786 -5.624 10.579 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.152 -4.124 10.875 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.552 -3.991 9.245 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.957 -4.902 9.492 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.031 -6.252 12.127 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.830 -7.150 10.814 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.760 -7.678 11.414 1.00 0.00 H new ATOM 216 N ARG A 18 0.341 -8.948 8.532 1.00 0.00 N ATOM 217 CA ARG A 18 -0.603 -10.014 8.241 1.00 0.00 C ATOM 218 C ARG A 18 -1.520 -10.254 9.442 1.00 0.00 C ATOM 219 O ARG A 18 -1.052 -10.600 10.526 1.00 0.00 O ATOM 220 CB ARG A 18 0.125 -11.315 7.897 1.00 0.00 C ATOM 221 CG ARG A 18 -0.694 -12.159 6.918 1.00 0.00 C ATOM 222 CD ARG A 18 -1.219 -13.427 7.593 1.00 0.00 C ATOM 223 NE ARG A 18 -1.889 -14.291 6.596 1.00 0.00 N ATOM 224 CZ ARG A 18 -3.168 -14.155 6.222 1.00 0.00 C ATOM 225 NH1 ARG A 18 -3.924 -13.188 6.761 1.00 0.00 N ATOM 226 NH2 ARG A 18 -3.693 -14.985 5.310 1.00 0.00 N ATOM 0 H ARG A 18 1.294 -9.261 8.719 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.198 -9.705 7.381 1.00 0.00 H new ATOM 0 HB2 ARG A 18 1.098 -11.087 7.461 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.309 -11.885 8.808 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.530 -11.572 6.538 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -0.077 -12.428 6.060 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -0.396 -13.968 8.060 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.918 -13.164 8.386 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.342 -15.037 6.166 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.525 -12.556 7.455 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.898 -13.084 6.477 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.118 -15.721 4.900 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.667 -14.880 5.026 1.00 0.00 H new ATOM 240 N THR A 19 -2.810 -10.059 9.209 1.00 0.00 N ATOM 241 CA THR A 19 -3.797 -10.249 10.259 1.00 0.00 C ATOM 242 C THR A 19 -4.735 -11.405 9.905 1.00 0.00 C ATOM 243 O THR A 19 -4.688 -11.929 8.793 1.00 0.00 O ATOM 244 CB THR A 19 -4.523 -8.920 10.471 1.00 0.00 C ATOM 245 OG1 THR A 19 -5.643 -8.992 9.592 1.00 0.00 O ATOM 246 CG2 THR A 19 -3.720 -7.724 9.955 1.00 0.00 C ATOM 0 H THR A 19 -3.194 -9.772 8.309 1.00 0.00 H new ATOM 0 HA THR A 19 -3.325 -10.531 11.200 1.00 0.00 H new ATOM 0 HB THR A 19 -4.731 -8.786 11.533 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.171 -8.170 9.666 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.281 -6.806 10.130 1.00 0.00 H new ATOM 0 HG22 THR A 19 -2.766 -7.672 10.480 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.540 -7.841 8.886 1.00 0.00 H new ATOM 254 N PRO A 20 -5.587 -11.778 10.897 1.00 0.00 N ATOM 255 CA PRO A 20 -6.535 -12.861 10.702 1.00 0.00 C ATOM 256 C PRO A 20 -7.702 -12.416 9.819 1.00 0.00 C ATOM 257 O PRO A 20 -8.449 -13.248 9.304 1.00 0.00 O ATOM 258 CB PRO A 20 -6.969 -13.262 12.102 1.00 0.00 C ATOM 259 CG PRO A 20 -6.608 -12.091 13.001 1.00 0.00 C ATOM 260 CD PRO A 20 -5.671 -11.179 12.226 1.00 0.00 C ATOM 0 HA PRO A 20 -6.100 -13.711 10.176 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.039 -13.465 12.136 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -6.462 -14.172 12.423 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -7.505 -11.550 13.301 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -6.128 -12.444 13.914 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -6.059 -10.161 12.178 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -4.690 -11.125 12.699 1.00 0.00 H new ATOM 268 N ARG A 21 -7.824 -11.105 9.670 1.00 0.00 N ATOM 269 CA ARG A 21 -8.888 -10.540 8.858 1.00 0.00 C ATOM 270 C ARG A 21 -8.349 -10.133 7.485 1.00 0.00 C ATOM 271 O ARG A 21 -9.093 -10.101 6.507 1.00 0.00 O ATOM 272 CB ARG A 21 -9.509 -9.317 9.538 1.00 0.00 C ATOM 273 CG ARG A 21 -10.458 -9.738 10.662 1.00 0.00 C ATOM 274 CD ARG A 21 -11.907 -9.395 10.313 1.00 0.00 C ATOM 275 NE ARG A 21 -12.684 -9.161 11.550 1.00 0.00 N ATOM 276 CZ ARG A 21 -12.713 -7.995 12.210 1.00 0.00 C ATOM 277 NH1 ARG A 21 -12.009 -6.950 11.754 1.00 0.00 N ATOM 278 NH2 ARG A 21 -13.446 -7.874 13.325 1.00 0.00 N ATOM 0 H ARG A 21 -7.203 -10.418 10.098 1.00 0.00 H new ATOM 0 HA ARG A 21 -9.656 -11.304 8.738 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.721 -8.681 9.942 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -10.052 -8.724 8.802 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -10.366 -10.810 10.838 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -10.175 -9.238 11.588 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -11.937 -8.507 9.681 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -12.354 -10.208 9.741 1.00 0.00 H new ATOM 0 HE ARG A 21 -13.232 -9.936 11.924 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -11.451 -7.042 10.905 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -12.031 -6.062 12.256 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -13.982 -8.669 13.672 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -13.468 -6.986 13.827 1.00 0.00 H new ATOM 292 N GLY A 22 -7.059 -9.831 7.457 1.00 0.00 N ATOM 293 CA GLY A 22 -6.412 -9.427 6.220 1.00 0.00 C ATOM 294 C GLY A 22 -4.980 -8.954 6.480 1.00 0.00 C ATOM 295 O GLY A 22 -4.279 -9.518 7.319 1.00 0.00 O ATOM 0 H GLY A 22 -6.445 -9.858 8.271 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.401 -10.263 5.521 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.984 -8.626 5.751 1.00 0.00 H new ATOM 299 N VAL A 23 -4.588 -7.925 5.744 1.00 0.00 N ATOM 300 CA VAL A 23 -3.253 -7.370 5.884 1.00 0.00 C ATOM 301 C VAL A 23 -3.349 -5.850 6.031 1.00 0.00 C ATOM 302 O VAL A 23 -3.729 -5.155 5.090 1.00 0.00 O ATOM 303 CB VAL A 23 -2.380 -7.802 4.704 1.00 0.00 C ATOM 304 CG1 VAL A 23 -1.077 -7.001 4.663 1.00 0.00 C ATOM 305 CG2 VAL A 23 -2.098 -9.305 4.753 1.00 0.00 C ATOM 0 H VAL A 23 -5.172 -7.461 5.048 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.773 -7.754 6.784 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.930 -7.593 3.786 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.475 -7.328 3.815 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.305 -5.940 4.559 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.521 -7.163 5.586 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.476 -9.586 3.903 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.578 -9.548 5.680 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.039 -9.853 4.711 1.00 0.00 H new ATOM 315 N LEU A 24 -2.999 -5.378 7.218 1.00 0.00 N ATOM 316 CA LEU A 24 -3.041 -3.954 7.500 1.00 0.00 C ATOM 317 C LEU A 24 -1.712 -3.317 7.091 1.00 0.00 C ATOM 318 O LEU A 24 -0.647 -3.782 7.495 1.00 0.00 O ATOM 319 CB LEU A 24 -3.416 -3.708 8.963 1.00 0.00 C ATOM 320 CG LEU A 24 -3.899 -2.296 9.303 1.00 0.00 C ATOM 321 CD1 LEU A 24 -4.672 -1.684 8.134 1.00 0.00 C ATOM 322 CD2 LEU A 24 -4.718 -2.294 10.596 1.00 0.00 C ATOM 0 H LEU A 24 -2.685 -5.957 7.996 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.820 -3.472 6.910 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.198 -4.415 9.241 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.548 -3.933 9.583 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.025 -1.668 9.474 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.004 -0.681 8.402 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.025 -1.630 7.258 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.539 -2.304 7.907 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.049 -1.279 10.815 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.587 -2.942 10.477 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.102 -2.660 11.417 1.00 0.00 H new ATOM 334 N LEU A 25 -1.817 -2.264 6.293 1.00 0.00 N ATOM 335 CA LEU A 25 -0.636 -1.559 5.825 1.00 0.00 C ATOM 336 C LEU A 25 -0.483 -0.253 6.606 1.00 0.00 C ATOM 337 O LEU A 25 -1.445 0.497 6.764 1.00 0.00 O ATOM 338 CB LEU A 25 -0.694 -1.366 4.308 1.00 0.00 C ATOM 339 CG LEU A 25 -1.098 -2.594 3.490 1.00 0.00 C ATOM 340 CD1 LEU A 25 -1.650 -2.184 2.123 1.00 0.00 C ATOM 341 CD2 LEU A 25 0.066 -3.578 3.367 1.00 0.00 C ATOM 0 H LEU A 25 -2.702 -1.882 5.959 1.00 0.00 H new ATOM 0 HA LEU A 25 0.260 -2.150 6.014 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.397 -0.562 4.091 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.286 -1.033 3.966 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.899 -3.109 4.020 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.930 -3.075 1.561 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.527 -1.551 2.260 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.887 -1.633 1.573 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.248 -4.442 2.781 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.905 -3.089 2.872 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.372 -3.906 4.361 1.00 0.00 H new ATOM 353 N HIS A 26 0.734 -0.020 7.076 1.00 0.00 N ATOM 354 CA HIS A 26 1.025 1.183 7.837 1.00 0.00 C ATOM 355 C HIS A 26 2.033 2.043 7.072 1.00 0.00 C ATOM 356 O HIS A 26 3.163 1.619 6.835 1.00 0.00 O ATOM 357 CB HIS A 26 1.497 0.831 9.249 1.00 0.00 C ATOM 358 CG HIS A 26 0.744 -0.315 9.881 1.00 0.00 C ATOM 359 ND1 HIS A 26 -0.492 -0.825 9.611 1.00 0.00 N flip ATOM 360 CD2 HIS A 26 1.261 -1.071 10.919 1.00 0.00 C flip ATOM 361 CE1 HIS A 26 -0.717 -1.838 10.439 1.00 0.00 C flip ATOM 362 NE2 HIS A 26 0.368 -1.992 11.251 1.00 0.00 N flip ATOM 0 H HIS A 26 1.530 -0.644 6.944 1.00 0.00 H new ATOM 0 HA HIS A 26 0.115 1.771 7.957 1.00 0.00 H new ATOM 0 HB2 HIS A 26 2.557 0.580 9.215 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.398 1.711 9.884 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.228 -0.934 11.380 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -1.612 -2.441 10.465 1.00 0.00 H new ATOM 0 HE2 HIS A 26 0.473 -2.693 11.985 1.00 0.00 H new ATOM 370 N TRP A 27 1.588 3.236 6.707 1.00 0.00 N ATOM 371 CA TRP A 27 2.436 4.159 5.973 1.00 0.00 C ATOM 372 C TRP A 27 2.363 5.521 6.667 1.00 0.00 C ATOM 373 O TRP A 27 1.632 5.686 7.642 1.00 0.00 O ATOM 374 CB TRP A 27 2.037 4.217 4.498 1.00 0.00 C ATOM 375 CG TRP A 27 0.657 4.830 4.250 1.00 0.00 C ATOM 376 CD1 TRP A 27 0.326 6.128 4.212 1.00 0.00 C ATOM 377 CD2 TRP A 27 -0.571 4.113 4.006 1.00 0.00 C ATOM 378 NE1 TRP A 27 -1.021 6.299 3.963 1.00 0.00 N ATOM 379 CE2 TRP A 27 -1.584 5.035 3.833 1.00 0.00 C ATOM 380 CE3 TRP A 27 -0.819 2.731 3.933 1.00 0.00 C ATOM 381 CZ2 TRP A 27 -2.912 4.675 3.577 1.00 0.00 C ATOM 382 CZ3 TRP A 27 -2.151 2.388 3.677 1.00 0.00 C ATOM 383 CH2 TRP A 27 -3.182 3.304 3.500 1.00 0.00 C ATOM 0 H TRP A 27 0.650 3.585 6.906 1.00 0.00 H new ATOM 0 HA TRP A 27 3.472 3.820 5.980 1.00 0.00 H new ATOM 0 HB2 TRP A 27 2.783 4.795 3.953 1.00 0.00 H new ATOM 0 HB3 TRP A 27 2.054 3.207 4.088 1.00 0.00 H new ATOM 0 HD1 TRP A 27 1.025 6.938 4.358 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -1.513 7.189 3.888 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -0.042 1.992 4.064 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -3.687 5.416 3.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -2.396 1.338 3.612 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -4.186 2.959 3.304 1.00 0.00 H new ATOM 394 N ASP A 28 3.130 6.462 6.136 1.00 0.00 N ATOM 395 CA ASP A 28 3.161 7.804 6.691 1.00 0.00 C ATOM 396 C ASP A 28 2.736 8.807 5.616 1.00 0.00 C ATOM 397 O ASP A 28 2.967 8.584 4.429 1.00 0.00 O ATOM 398 CB ASP A 28 4.571 8.176 7.154 1.00 0.00 C ATOM 399 CG ASP A 28 4.748 8.281 8.670 1.00 0.00 C ATOM 400 OD1 ASP A 28 4.170 9.229 9.245 1.00 0.00 O ATOM 401 OD2 ASP A 28 5.456 7.411 9.221 1.00 0.00 O ATOM 0 H ASP A 28 3.735 6.321 5.327 1.00 0.00 H new ATOM 0 HA ASP A 28 2.482 7.832 7.543 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.270 7.432 6.773 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.845 9.131 6.705 1.00 0.00 H new ATOM 406 N PRO A 29 2.107 9.918 6.083 1.00 0.00 N ATOM 407 CA PRO A 29 1.648 10.955 5.175 1.00 0.00 C ATOM 408 C PRO A 29 2.820 11.793 4.662 1.00 0.00 C ATOM 409 O PRO A 29 3.750 12.090 5.410 1.00 0.00 O ATOM 410 CB PRO A 29 0.645 11.766 5.979 1.00 0.00 C ATOM 411 CG PRO A 29 0.923 11.444 7.438 1.00 0.00 C ATOM 412 CD PRO A 29 1.816 10.215 7.483 1.00 0.00 C ATOM 0 HA PRO A 29 1.184 10.551 4.275 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.760 12.832 5.786 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -0.377 11.502 5.709 1.00 0.00 H new ATOM 0 HG2 PRO A 29 1.409 12.287 7.929 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.009 11.258 7.972 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.730 10.409 8.045 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.314 9.378 7.970 1.00 0.00 H new ATOM 420 N PRO A 30 2.736 12.160 3.355 1.00 0.00 N ATOM 421 CA PRO A 30 3.779 12.958 2.733 1.00 0.00 C ATOM 422 C PRO A 30 3.695 14.418 3.184 1.00 0.00 C ATOM 423 O PRO A 30 2.736 15.117 2.863 1.00 0.00 O ATOM 424 CB PRO A 30 3.567 12.786 1.238 1.00 0.00 C ATOM 425 CG PRO A 30 2.143 12.280 1.074 1.00 0.00 C ATOM 426 CD PRO A 30 1.650 11.827 2.438 1.00 0.00 C ATOM 0 HA PRO A 30 4.781 12.638 3.020 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.709 13.730 0.712 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.283 12.078 0.821 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.501 13.067 0.678 1.00 0.00 H new ATOM 0 HG3 PRO A 30 2.111 11.455 0.363 1.00 0.00 H new ATOM 0 HD2 PRO A 30 0.728 12.337 2.715 1.00 0.00 H new ATOM 0 HD3 PRO A 30 1.438 10.758 2.447 1.00 0.00 H new ATOM 434 N GLU A 31 4.714 14.835 3.923 1.00 0.00 N ATOM 435 CA GLU A 31 4.767 16.198 4.421 1.00 0.00 C ATOM 436 C GLU A 31 4.829 17.188 3.256 1.00 0.00 C ATOM 437 O GLU A 31 4.227 18.259 3.313 1.00 0.00 O ATOM 438 CB GLU A 31 5.955 16.390 5.367 1.00 0.00 C ATOM 439 CG GLU A 31 6.094 17.856 5.783 1.00 0.00 C ATOM 440 CD GLU A 31 5.851 18.026 7.284 1.00 0.00 C ATOM 441 OE1 GLU A 31 4.701 17.773 7.704 1.00 0.00 O ATOM 442 OE2 GLU A 31 6.820 18.404 7.976 1.00 0.00 O ATOM 0 H GLU A 31 5.508 14.252 4.188 1.00 0.00 H new ATOM 0 HA GLU A 31 3.857 16.392 4.988 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.823 15.768 6.252 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.871 16.059 4.878 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.091 18.217 5.529 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.383 18.465 5.225 1.00 0.00 H new ATOM 449 N LEU A 32 5.563 16.794 2.226 1.00 0.00 N ATOM 450 CA LEU A 32 5.712 17.633 1.048 1.00 0.00 C ATOM 451 C LEU A 32 4.523 17.406 0.112 1.00 0.00 C ATOM 452 O LEU A 32 4.502 16.438 -0.647 1.00 0.00 O ATOM 453 CB LEU A 32 7.070 17.392 0.387 1.00 0.00 C ATOM 454 CG LEU A 32 8.180 18.379 0.754 1.00 0.00 C ATOM 455 CD1 LEU A 32 9.383 18.224 -0.178 1.00 0.00 C ATOM 456 CD2 LEU A 32 7.652 19.815 0.774 1.00 0.00 C ATOM 0 H LEU A 32 6.061 15.905 2.182 1.00 0.00 H new ATOM 0 HA LEU A 32 5.702 18.687 1.327 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.404 16.387 0.646 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.934 17.414 -0.694 1.00 0.00 H new ATOM 0 HG LEU A 32 8.523 18.147 1.762 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.157 18.937 0.105 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.777 17.211 -0.098 1.00 0.00 H new ATOM 0 HD13 LEU A 32 9.074 18.413 -1.206 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.461 20.496 1.038 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.266 20.074 -0.212 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.853 19.899 1.510 1.00 0.00 H new ATOM 468 N VAL A 33 3.562 18.314 0.198 1.00 0.00 N ATOM 469 CA VAL A 33 2.373 18.225 -0.632 1.00 0.00 C ATOM 470 C VAL A 33 2.168 19.551 -1.366 1.00 0.00 C ATOM 471 O VAL A 33 2.412 20.619 -0.806 1.00 0.00 O ATOM 472 CB VAL A 33 1.168 17.821 0.221 1.00 0.00 C ATOM 473 CG1 VAL A 33 0.088 17.157 -0.635 1.00 0.00 C ATOM 474 CG2 VAL A 33 1.593 16.908 1.372 1.00 0.00 C ATOM 0 H VAL A 33 3.583 19.115 0.830 1.00 0.00 H new ATOM 0 HA VAL A 33 2.493 17.450 -1.389 1.00 0.00 H new ATOM 0 HB VAL A 33 0.743 18.728 0.652 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.757 16.880 -0.004 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.246 17.854 -1.404 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.496 16.264 -1.108 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.718 16.636 1.962 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.054 16.006 0.970 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.310 17.431 2.005 1.00 0.00 H new ATOM 484 N PRO A 34 1.710 19.438 -2.642 1.00 0.00 N ATOM 485 CA PRO A 34 1.470 20.615 -3.459 1.00 0.00 C ATOM 486 C PRO A 34 0.188 21.330 -3.025 1.00 0.00 C ATOM 487 O PRO A 34 -0.065 22.462 -3.437 1.00 0.00 O ATOM 488 CB PRO A 34 1.407 20.098 -4.886 1.00 0.00 C ATOM 489 CG PRO A 34 1.151 18.603 -4.777 1.00 0.00 C ATOM 490 CD PRO A 34 1.410 18.190 -3.338 1.00 0.00 C ATOM 0 HA PRO A 34 2.254 21.365 -3.356 1.00 0.00 H new ATOM 0 HB2 PRO A 34 0.612 20.591 -5.445 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.339 20.297 -5.415 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.125 18.369 -5.062 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.804 18.053 -5.455 1.00 0.00 H new ATOM 0 HD2 PRO A 34 0.541 17.695 -2.906 1.00 0.00 H new ATOM 0 HD3 PRO A 34 2.242 17.489 -3.271 1.00 0.00 H new ATOM 498 N LYS A 35 -0.586 20.641 -2.201 1.00 0.00 N ATOM 499 CA LYS A 35 -1.835 21.196 -1.707 1.00 0.00 C ATOM 500 C LYS A 35 -2.458 20.226 -0.702 1.00 0.00 C ATOM 501 O LYS A 35 -2.202 20.321 0.498 1.00 0.00 O ATOM 502 CB LYS A 35 -2.761 21.552 -2.873 1.00 0.00 C ATOM 503 CG LYS A 35 -2.940 23.067 -2.988 1.00 0.00 C ATOM 504 CD LYS A 35 -4.002 23.416 -4.032 1.00 0.00 C ATOM 505 CE LYS A 35 -5.384 23.541 -3.387 1.00 0.00 C ATOM 506 NZ LYS A 35 -6.447 23.277 -4.383 1.00 0.00 N ATOM 0 H LYS A 35 -0.373 19.703 -1.862 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.653 22.131 -1.177 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.349 21.159 -3.802 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.732 21.077 -2.729 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.228 23.477 -2.020 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.991 23.529 -3.261 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.740 24.353 -4.524 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.025 22.647 -4.804 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.470 22.837 -2.559 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.508 24.540 -2.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.378 23.366 -3.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.374 23.965 -5.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.337 22.315 -4.761 1.00 0.00 H new ATOM 520 N ARG A 36 -3.263 19.314 -1.228 1.00 0.00 N ATOM 521 CA ARG A 36 -3.924 18.327 -0.391 1.00 0.00 C ATOM 522 C ARG A 36 -3.637 16.916 -0.908 1.00 0.00 C ATOM 523 O ARG A 36 -3.014 16.749 -1.955 1.00 0.00 O ATOM 524 CB ARG A 36 -5.436 18.555 -0.361 1.00 0.00 C ATOM 525 CG ARG A 36 -5.820 19.542 0.744 1.00 0.00 C ATOM 526 CD ARG A 36 -7.340 19.681 0.850 1.00 0.00 C ATOM 527 NE ARG A 36 -7.863 18.752 1.877 1.00 0.00 N ATOM 528 CZ ARG A 36 -9.166 18.543 2.107 1.00 0.00 C ATOM 529 NH1 ARG A 36 -10.087 19.196 1.385 1.00 0.00 N ATOM 530 NH2 ARG A 36 -9.549 17.681 3.059 1.00 0.00 N ATOM 0 H ARG A 36 -3.472 19.238 -2.223 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.532 18.433 0.621 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.769 18.937 -1.326 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.947 17.606 -0.200 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.415 19.202 1.697 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.376 20.516 0.538 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.602 20.707 1.108 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.801 19.467 -0.114 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.189 18.239 2.445 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.796 19.852 0.660 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -11.079 19.037 1.560 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.848 17.184 3.609 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.541 17.522 3.234 1.00 0.00 H new ATOM 544 N LEU A 37 -4.106 15.936 -0.149 1.00 0.00 N ATOM 545 CA LEU A 37 -3.908 14.544 -0.517 1.00 0.00 C ATOM 546 C LEU A 37 -5.173 14.016 -1.197 1.00 0.00 C ATOM 547 O LEU A 37 -6.179 13.766 -0.536 1.00 0.00 O ATOM 548 CB LEU A 37 -3.476 13.724 0.700 1.00 0.00 C ATOM 549 CG LEU A 37 -2.452 12.619 0.435 1.00 0.00 C ATOM 550 CD1 LEU A 37 -2.741 11.909 -0.889 1.00 0.00 C ATOM 551 CD2 LEU A 37 -1.025 13.169 0.491 1.00 0.00 C ATOM 0 H LEU A 37 -4.622 16.078 0.719 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.096 14.453 -1.238 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.062 14.405 1.444 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.364 13.271 1.142 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.541 11.874 1.226 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.998 11.128 -1.053 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.735 11.463 -0.853 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.696 12.630 -1.706 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.317 12.363 0.299 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.904 13.945 -0.264 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.836 13.591 1.478 1.00 0.00 H new ATOM 563 N ASP A 38 -5.080 13.863 -2.510 1.00 0.00 N ATOM 564 CA ASP A 38 -6.205 13.369 -3.287 1.00 0.00 C ATOM 565 C ASP A 38 -6.448 11.898 -2.945 1.00 0.00 C ATOM 566 O ASP A 38 -7.588 11.435 -2.955 1.00 0.00 O ATOM 567 CB ASP A 38 -5.922 13.466 -4.787 1.00 0.00 C ATOM 568 CG ASP A 38 -7.165 13.487 -5.679 1.00 0.00 C ATOM 569 OD1 ASP A 38 -8.035 14.346 -5.420 1.00 0.00 O ATOM 570 OD2 ASP A 38 -7.217 12.644 -6.600 1.00 0.00 O ATOM 0 H ASP A 38 -4.244 14.072 -3.055 1.00 0.00 H new ATOM 0 HA ASP A 38 -7.076 13.977 -3.045 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.343 14.370 -4.975 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.298 12.622 -5.079 1.00 0.00 H new ATOM 575 N GLY A 39 -5.359 11.204 -2.652 1.00 0.00 N ATOM 576 CA GLY A 39 -5.439 9.794 -2.308 1.00 0.00 C ATOM 577 C GLY A 39 -4.180 9.048 -2.754 1.00 0.00 C ATOM 578 O GLY A 39 -3.412 9.553 -3.571 1.00 0.00 O ATOM 0 H GLY A 39 -4.415 11.591 -2.646 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.568 9.686 -1.231 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.315 9.350 -2.780 1.00 0.00 H new ATOM 582 N TYR A 40 -4.008 7.858 -2.198 1.00 0.00 N ATOM 583 CA TYR A 40 -2.856 7.037 -2.528 1.00 0.00 C ATOM 584 C TYR A 40 -3.268 5.825 -3.365 1.00 0.00 C ATOM 585 O TYR A 40 -4.447 5.647 -3.669 1.00 0.00 O ATOM 586 CB TYR A 40 -2.288 6.550 -1.193 1.00 0.00 C ATOM 587 CG TYR A 40 -1.924 7.677 -0.224 1.00 0.00 C ATOM 588 CD1 TYR A 40 -2.918 8.454 0.335 1.00 0.00 C ATOM 589 CD2 TYR A 40 -0.602 7.916 0.091 1.00 0.00 C ATOM 590 CE1 TYR A 40 -2.576 9.515 1.247 1.00 0.00 C ATOM 591 CE2 TYR A 40 -0.259 8.976 1.003 1.00 0.00 C ATOM 592 CZ TYR A 40 -1.263 9.723 1.536 1.00 0.00 C ATOM 593 OH TYR A 40 -0.940 10.725 2.398 1.00 0.00 O ATOM 0 H TYR A 40 -4.648 7.443 -1.521 1.00 0.00 H new ATOM 0 HA TYR A 40 -2.131 7.609 -3.107 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.018 5.896 -0.716 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.399 5.949 -1.385 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -3.953 8.266 0.089 1.00 0.00 H new ATOM 0 HD2 TYR A 40 0.176 7.308 -0.347 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.344 10.131 1.691 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.772 9.173 1.258 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.769 10.349 3.287 1.00 0.00 H new ATOM 603 N VAL A 41 -2.274 5.021 -3.715 1.00 0.00 N ATOM 604 CA VAL A 41 -2.518 3.831 -4.511 1.00 0.00 C ATOM 605 C VAL A 41 -1.805 2.639 -3.871 1.00 0.00 C ATOM 606 O VAL A 41 -0.587 2.508 -3.979 1.00 0.00 O ATOM 607 CB VAL A 41 -2.092 4.074 -5.960 1.00 0.00 C ATOM 608 CG1 VAL A 41 -2.122 2.774 -6.766 1.00 0.00 C ATOM 609 CG2 VAL A 41 -2.965 5.146 -6.616 1.00 0.00 C ATOM 0 H VAL A 41 -1.298 5.171 -3.461 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.583 3.599 -4.534 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.065 4.438 -5.950 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.815 2.975 -7.792 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.439 2.052 -6.318 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.133 2.367 -6.763 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.641 5.299 -7.645 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.006 4.823 -6.608 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.871 6.081 -6.063 1.00 0.00 H new ATOM 619 N LEU A 42 -2.594 1.799 -3.217 1.00 0.00 N ATOM 620 CA LEU A 42 -2.054 0.622 -2.558 1.00 0.00 C ATOM 621 C LEU A 42 -1.923 -0.512 -3.577 1.00 0.00 C ATOM 622 O LEU A 42 -2.922 -0.993 -4.108 1.00 0.00 O ATOM 623 CB LEU A 42 -2.898 0.256 -1.336 1.00 0.00 C ATOM 624 CG LEU A 42 -2.340 -0.854 -0.444 1.00 0.00 C ATOM 625 CD1 LEU A 42 -2.918 -2.216 -0.837 1.00 0.00 C ATOM 626 CD2 LEU A 42 -0.811 -0.854 -0.460 1.00 0.00 C ATOM 0 H LEU A 42 -3.604 1.910 -3.129 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.054 0.825 -2.175 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.029 1.151 -0.729 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.888 -0.044 -1.680 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.651 -0.656 0.582 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.505 -2.988 -0.187 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.003 -2.195 -0.731 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.658 -2.436 -1.872 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.440 -1.653 0.182 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.458 -1.014 -1.479 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.443 0.105 -0.095 1.00 0.00 H new ATOM 638 N GLU A 43 -0.681 -0.906 -3.820 1.00 0.00 N ATOM 639 CA GLU A 43 -0.406 -1.974 -4.766 1.00 0.00 C ATOM 640 C GLU A 43 0.092 -3.219 -4.030 1.00 0.00 C ATOM 641 O GLU A 43 0.367 -3.168 -2.832 1.00 0.00 O ATOM 642 CB GLU A 43 0.602 -1.523 -5.825 1.00 0.00 C ATOM 643 CG GLU A 43 -0.074 -1.351 -7.187 1.00 0.00 C ATOM 644 CD GLU A 43 -0.313 -2.707 -7.855 1.00 0.00 C ATOM 645 OE1 GLU A 43 -0.202 -3.722 -7.134 1.00 0.00 O ATOM 646 OE2 GLU A 43 -0.601 -2.698 -9.071 1.00 0.00 O ATOM 0 H GLU A 43 0.146 -0.505 -3.378 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.334 -2.226 -5.280 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.059 -0.581 -5.520 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.405 -2.256 -5.903 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.023 -0.830 -7.063 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.549 -0.729 -7.830 1.00 0.00 H new ATOM 653 N GLY A 44 0.194 -4.308 -4.778 1.00 0.00 N ATOM 654 CA GLY A 44 0.654 -5.565 -4.212 1.00 0.00 C ATOM 655 C GLY A 44 0.924 -6.595 -5.310 1.00 0.00 C ATOM 656 O GLY A 44 0.584 -6.373 -6.471 1.00 0.00 O ATOM 0 H GLY A 44 -0.034 -4.346 -5.771 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.563 -5.397 -3.635 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.095 -5.952 -3.521 1.00 0.00 H new ATOM 660 N ARG A 45 1.532 -7.700 -4.904 1.00 0.00 N ATOM 661 CA ARG A 45 1.851 -8.765 -5.839 1.00 0.00 C ATOM 662 C ARG A 45 2.578 -9.903 -5.120 1.00 0.00 C ATOM 663 O ARG A 45 3.327 -9.666 -4.174 1.00 0.00 O ATOM 664 CB ARG A 45 2.728 -8.251 -6.982 1.00 0.00 C ATOM 665 CG ARG A 45 4.103 -7.821 -6.467 1.00 0.00 C ATOM 666 CD ARG A 45 5.149 -7.879 -7.582 1.00 0.00 C ATOM 667 NE ARG A 45 6.506 -7.975 -7.000 1.00 0.00 N ATOM 668 CZ ARG A 45 7.626 -7.609 -7.638 1.00 0.00 C ATOM 669 NH1 ARG A 45 7.557 -7.121 -8.884 1.00 0.00 N ATOM 670 NH2 ARG A 45 8.814 -7.732 -7.031 1.00 0.00 N ATOM 0 H ARG A 45 1.812 -7.881 -3.940 1.00 0.00 H new ATOM 0 HA ARG A 45 0.913 -9.133 -6.254 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.845 -9.031 -7.734 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.239 -7.408 -7.470 1.00 0.00 H new ATOM 0 HG2 ARG A 45 4.046 -6.808 -6.070 1.00 0.00 H new ATOM 0 HG3 ARG A 45 4.406 -8.469 -5.645 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.959 -8.738 -8.225 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.075 -6.990 -8.208 1.00 0.00 H new ATOM 0 HE ARG A 45 6.594 -8.343 -6.053 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.652 -7.028 -9.346 1.00 0.00 H new ATOM 0 HH12 ARG A 45 8.409 -6.842 -9.370 1.00 0.00 H new ATOM 0 HH21 ARG A 45 8.866 -8.104 -6.083 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.666 -7.453 -7.517 1.00 0.00 H new ATOM 684 N GLN A 46 2.331 -11.115 -5.596 1.00 0.00 N ATOM 685 CA GLN A 46 2.953 -12.290 -5.010 1.00 0.00 C ATOM 686 C GLN A 46 3.912 -12.938 -6.011 1.00 0.00 C ATOM 687 O GLN A 46 3.695 -12.866 -7.219 1.00 0.00 O ATOM 688 CB GLN A 46 1.897 -13.290 -4.536 1.00 0.00 C ATOM 689 CG GLN A 46 1.226 -13.984 -5.723 1.00 0.00 C ATOM 690 CD GLN A 46 -0.238 -13.557 -5.852 1.00 0.00 C ATOM 691 OE1 GLN A 46 -0.555 -12.412 -6.127 1.00 0.00 O ATOM 692 NE2 GLN A 46 -1.108 -14.539 -5.638 1.00 0.00 N ATOM 0 H GLN A 46 1.709 -11.308 -6.381 1.00 0.00 H new ATOM 0 HA GLN A 46 3.527 -11.977 -4.138 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.361 -14.035 -3.890 1.00 0.00 H new ATOM 0 HB3 GLN A 46 1.145 -12.774 -3.939 1.00 0.00 H new ATOM 0 HG2 GLN A 46 1.762 -13.741 -6.641 1.00 0.00 H new ATOM 0 HG3 GLN A 46 1.283 -15.065 -5.597 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -0.774 -15.476 -5.412 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.109 -14.356 -5.700 1.00 0.00 H new ATOM 736 N GLY A 50 2.700 -9.764 -11.709 1.00 0.00 N ATOM 737 CA GLY A 50 2.594 -8.347 -12.012 1.00 0.00 C ATOM 738 C GLY A 50 1.890 -7.595 -10.881 1.00 0.00 C ATOM 739 O GLY A 50 1.077 -8.171 -10.160 1.00 0.00 O ATOM 0 HA2 GLY A 50 3.589 -7.929 -12.167 1.00 0.00 H new ATOM 0 HA3 GLY A 50 2.043 -8.211 -12.942 1.00 0.00 H new ATOM 743 N TRP A 51 2.228 -6.320 -10.761 1.00 0.00 N ATOM 744 CA TRP A 51 1.639 -5.483 -9.729 1.00 0.00 C ATOM 745 C TRP A 51 0.144 -5.348 -10.027 1.00 0.00 C ATOM 746 O TRP A 51 -0.250 -5.185 -11.180 1.00 0.00 O ATOM 747 CB TRP A 51 2.355 -4.134 -9.642 1.00 0.00 C ATOM 748 CG TRP A 51 3.741 -4.205 -8.998 1.00 0.00 C ATOM 749 CD1 TRP A 51 4.933 -4.248 -9.608 1.00 0.00 C ATOM 750 CD2 TRP A 51 4.031 -4.240 -7.585 1.00 0.00 C ATOM 751 NE1 TRP A 51 5.967 -4.308 -8.695 1.00 0.00 N ATOM 752 CE2 TRP A 51 5.401 -4.303 -7.426 1.00 0.00 C ATOM 753 CE3 TRP A 51 3.165 -4.220 -6.477 1.00 0.00 C ATOM 754 CZ2 TRP A 51 6.026 -4.351 -6.174 1.00 0.00 C ATOM 755 CZ3 TRP A 51 3.806 -4.268 -5.233 1.00 0.00 C ATOM 756 CH2 TRP A 51 5.183 -4.331 -5.056 1.00 0.00 C ATOM 0 H TRP A 51 2.902 -5.846 -11.361 1.00 0.00 H new ATOM 0 HA TRP A 51 1.759 -5.940 -8.747 1.00 0.00 H new ATOM 0 HB2 TRP A 51 2.453 -3.721 -10.646 1.00 0.00 H new ATOM 0 HB3 TRP A 51 1.736 -3.442 -9.072 1.00 0.00 H new ATOM 0 HD1 TRP A 51 5.068 -4.237 -10.679 1.00 0.00 H new ATOM 0 HE1 TRP A 51 6.963 -4.349 -8.912 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.091 -4.171 -6.578 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 7.100 -4.401 -6.076 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.186 -4.255 -4.348 1.00 0.00 H new ATOM 0 HH2 TRP A 51 5.601 -4.364 -4.061 1.00 0.00 H new ATOM 767 N GLU A 52 -0.646 -5.423 -8.966 1.00 0.00 N ATOM 768 CA GLU A 52 -2.089 -5.311 -9.099 1.00 0.00 C ATOM 769 C GLU A 52 -2.632 -4.260 -8.128 1.00 0.00 C ATOM 770 O GLU A 52 -2.635 -4.472 -6.917 1.00 0.00 O ATOM 771 CB GLU A 52 -2.766 -6.665 -8.876 1.00 0.00 C ATOM 772 CG GLU A 52 -2.707 -7.072 -7.403 1.00 0.00 C ATOM 773 CD GLU A 52 -2.756 -8.594 -7.252 1.00 0.00 C ATOM 774 OE1 GLU A 52 -3.534 -9.214 -8.008 1.00 0.00 O ATOM 775 OE2 GLU A 52 -2.014 -9.102 -6.384 1.00 0.00 O ATOM 0 H GLU A 52 -0.315 -5.560 -8.011 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.317 -4.990 -10.115 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.805 -6.614 -9.201 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.278 -7.425 -9.487 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.792 -6.688 -6.952 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.541 -6.623 -6.864 1.00 0.00 H new ATOM 782 N VAL A 53 -3.077 -3.149 -8.697 1.00 0.00 N ATOM 783 CA VAL A 53 -3.621 -2.065 -7.897 1.00 0.00 C ATOM 784 C VAL A 53 -4.670 -2.624 -6.935 1.00 0.00 C ATOM 785 O VAL A 53 -5.810 -2.869 -7.328 1.00 0.00 O ATOM 786 CB VAL A 53 -4.170 -0.967 -8.810 1.00 0.00 C ATOM 787 CG1 VAL A 53 -4.862 0.128 -7.995 1.00 0.00 C ATOM 788 CG2 VAL A 53 -3.064 -0.379 -9.689 1.00 0.00 C ATOM 0 H VAL A 53 -3.072 -2.976 -9.702 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.839 -1.606 -7.292 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.914 -1.419 -9.466 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.243 0.896 -8.668 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.689 -0.305 -7.433 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.147 0.574 -7.303 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.482 0.399 -10.328 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.286 0.049 -9.057 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.635 -1.166 -10.309 1.00 0.00 H new ATOM 798 N LEU A 54 -4.249 -2.809 -5.693 1.00 0.00 N ATOM 799 CA LEU A 54 -5.138 -3.334 -4.671 1.00 0.00 C ATOM 800 C LEU A 54 -6.210 -2.291 -4.348 1.00 0.00 C ATOM 801 O LEU A 54 -7.376 -2.632 -4.156 1.00 0.00 O ATOM 802 CB LEU A 54 -4.340 -3.793 -3.449 1.00 0.00 C ATOM 803 CG LEU A 54 -3.089 -4.625 -3.740 1.00 0.00 C ATOM 804 CD1 LEU A 54 -2.368 -5.001 -2.444 1.00 0.00 C ATOM 805 CD2 LEU A 54 -3.433 -5.856 -4.582 1.00 0.00 C ATOM 0 H LEU A 54 -3.303 -2.604 -5.371 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.655 -4.221 -5.037 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.042 -2.911 -2.882 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.000 -4.377 -2.807 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.402 -4.015 -4.326 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.483 -5.592 -2.678 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.070 -4.094 -1.917 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.037 -5.585 -1.812 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.527 -6.430 -4.775 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.148 -6.477 -4.043 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.870 -5.539 -5.529 1.00 0.00 H new ATOM 817 N ASP A 55 -5.777 -1.040 -4.299 1.00 0.00 N ATOM 818 CA ASP A 55 -6.684 0.056 -4.003 1.00 0.00 C ATOM 819 C ASP A 55 -6.137 1.346 -4.617 1.00 0.00 C ATOM 820 O ASP A 55 -5.163 1.909 -4.121 1.00 0.00 O ATOM 821 CB ASP A 55 -6.817 0.269 -2.494 1.00 0.00 C ATOM 822 CG ASP A 55 -8.243 0.175 -1.950 1.00 0.00 C ATOM 823 OD1 ASP A 55 -9.066 1.018 -2.366 1.00 0.00 O ATOM 824 OD2 ASP A 55 -8.479 -0.739 -1.130 1.00 0.00 O ATOM 0 H ASP A 55 -4.809 -0.761 -4.459 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.660 -0.193 -4.419 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.200 -0.470 -1.982 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -6.413 1.250 -2.244 1.00 0.00 H new ATOM 829 N PRO A 56 -6.805 1.788 -5.716 1.00 0.00 N ATOM 830 CA PRO A 56 -6.396 3.001 -6.403 1.00 0.00 C ATOM 831 C PRO A 56 -6.806 4.244 -5.611 1.00 0.00 C ATOM 832 O PRO A 56 -6.008 5.163 -5.434 1.00 0.00 O ATOM 833 CB PRO A 56 -7.058 2.922 -7.769 1.00 0.00 C ATOM 834 CG PRO A 56 -8.180 1.906 -7.630 1.00 0.00 C ATOM 835 CD PRO A 56 -7.964 1.147 -6.332 1.00 0.00 C ATOM 0 HA PRO A 56 -5.314 3.083 -6.504 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.447 3.894 -8.071 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.344 2.613 -8.532 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.149 2.406 -7.623 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -8.181 1.220 -8.477 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -8.840 1.209 -5.687 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -7.779 0.089 -6.518 1.00 0.00 H new ATOM 843 N ALA A 57 -8.050 4.233 -5.155 1.00 0.00 N ATOM 844 CA ALA A 57 -8.576 5.348 -4.386 1.00 0.00 C ATOM 845 C ALA A 57 -8.399 5.061 -2.894 1.00 0.00 C ATOM 846 O ALA A 57 -9.096 4.217 -2.334 1.00 0.00 O ATOM 847 CB ALA A 57 -10.039 5.585 -4.765 1.00 0.00 C ATOM 0 H ALA A 57 -8.709 3.469 -5.304 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.029 6.263 -4.613 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -10.433 6.421 -4.188 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -10.107 5.814 -5.829 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -10.621 4.689 -4.549 1.00 0.00 H new ATOM 853 N VAL A 58 -7.463 5.781 -2.292 1.00 0.00 N ATOM 854 CA VAL A 58 -7.186 5.614 -0.876 1.00 0.00 C ATOM 855 C VAL A 58 -7.286 6.971 -0.178 1.00 0.00 C ATOM 856 O VAL A 58 -6.709 7.955 -0.639 1.00 0.00 O ATOM 857 CB VAL A 58 -5.824 4.942 -0.685 1.00 0.00 C ATOM 858 CG1 VAL A 58 -5.514 4.746 0.801 1.00 0.00 C ATOM 859 CG2 VAL A 58 -5.758 3.613 -1.439 1.00 0.00 C ATOM 0 H VAL A 58 -6.887 6.481 -2.760 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.925 4.957 -0.417 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.063 5.601 -1.102 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.541 4.267 0.910 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.499 5.715 1.300 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.281 4.117 1.253 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.780 3.156 -1.287 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.533 2.944 -1.065 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.914 3.790 -2.503 1.00 0.00 H new ATOM 869 N ALA A 59 -8.024 6.982 0.923 1.00 0.00 N ATOM 870 CA ALA A 59 -8.207 8.202 1.689 1.00 0.00 C ATOM 871 C ALA A 59 -6.891 8.981 1.723 1.00 0.00 C ATOM 872 O ALA A 59 -5.849 8.431 2.078 1.00 0.00 O ATOM 873 CB ALA A 59 -8.715 7.855 3.090 1.00 0.00 C ATOM 0 H ALA A 59 -8.502 6.165 1.302 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.956 8.840 1.220 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.852 8.771 3.665 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.667 7.330 3.012 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.988 7.217 3.593 1.00 0.00 H new ATOM 879 N GLY A 60 -6.980 10.249 1.349 1.00 0.00 N ATOM 880 CA GLY A 60 -5.809 11.109 1.333 1.00 0.00 C ATOM 881 C GLY A 60 -5.331 11.412 2.754 1.00 0.00 C ATOM 882 O GLY A 60 -4.260 11.987 2.943 1.00 0.00 O ATOM 0 H GLY A 60 -7.845 10.702 1.055 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.008 10.628 0.771 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.045 12.041 0.819 1.00 0.00 H new ATOM 886 N THR A 61 -6.149 11.014 3.717 1.00 0.00 N ATOM 887 CA THR A 61 -5.824 11.236 5.115 1.00 0.00 C ATOM 888 C THR A 61 -5.544 9.906 5.816 1.00 0.00 C ATOM 889 O THR A 61 -5.101 9.885 6.963 1.00 0.00 O ATOM 890 CB THR A 61 -6.971 12.027 5.748 1.00 0.00 C ATOM 891 OG1 THR A 61 -8.129 11.248 5.461 1.00 0.00 O ATOM 892 CG2 THR A 61 -7.230 13.355 5.034 1.00 0.00 C ATOM 0 H THR A 61 -7.037 10.539 3.556 1.00 0.00 H new ATOM 0 HA THR A 61 -4.910 11.821 5.220 1.00 0.00 H new ATOM 0 HB THR A 61 -6.745 12.217 6.797 1.00 0.00 H new ATOM 0 HG1 THR A 61 -8.920 11.687 5.837 1.00 0.00 H new ATOM 0 HG21 THR A 61 -8.053 13.876 5.523 1.00 0.00 H new ATOM 0 HG22 THR A 61 -6.333 13.972 5.077 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.489 13.164 3.993 1.00 0.00 H new ATOM 900 N GLU A 62 -5.816 8.826 5.097 1.00 0.00 N ATOM 901 CA GLU A 62 -5.599 7.494 5.636 1.00 0.00 C ATOM 902 C GLU A 62 -4.106 7.253 5.871 1.00 0.00 C ATOM 903 O GLU A 62 -3.266 7.793 5.153 1.00 0.00 O ATOM 904 CB GLU A 62 -6.188 6.427 4.711 1.00 0.00 C ATOM 905 CG GLU A 62 -7.546 5.945 5.226 1.00 0.00 C ATOM 906 CD GLU A 62 -7.375 4.975 6.398 1.00 0.00 C ATOM 907 OE1 GLU A 62 -6.949 5.452 7.471 1.00 0.00 O ATOM 908 OE2 GLU A 62 -7.676 3.779 6.193 1.00 0.00 O ATOM 0 H GLU A 62 -6.185 8.847 4.146 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.113 7.422 6.594 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.299 6.833 3.706 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.502 5.583 4.640 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.144 6.800 5.541 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.092 5.454 4.420 1.00 0.00 H new ATOM 915 N THR A 63 -3.822 6.442 6.878 1.00 0.00 N ATOM 916 CA THR A 63 -2.446 6.122 7.217 1.00 0.00 C ATOM 917 C THR A 63 -2.225 4.609 7.183 1.00 0.00 C ATOM 918 O THR A 63 -1.173 4.122 7.593 1.00 0.00 O ATOM 919 CB THR A 63 -2.135 6.751 8.577 1.00 0.00 C ATOM 920 OG1 THR A 63 -3.363 6.652 9.294 1.00 0.00 O ATOM 921 CG2 THR A 63 -1.880 8.257 8.482 1.00 0.00 C ATOM 0 H THR A 63 -4.522 5.996 7.471 1.00 0.00 H new ATOM 0 HA THR A 63 -1.753 6.536 6.485 1.00 0.00 H new ATOM 0 HB THR A 63 -1.263 6.262 9.012 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.251 7.035 10.189 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.664 8.653 9.474 1.00 0.00 H new ATOM 0 HG22 THR A 63 -1.030 8.441 7.825 1.00 0.00 H new ATOM 0 HG23 THR A 63 -2.764 8.751 8.079 1.00 0.00 H new ATOM 929 N GLU A 64 -3.235 3.907 6.690 1.00 0.00 N ATOM 930 CA GLU A 64 -3.165 2.459 6.596 1.00 0.00 C ATOM 931 C GLU A 64 -4.331 1.923 5.763 1.00 0.00 C ATOM 932 O GLU A 64 -5.223 2.678 5.380 1.00 0.00 O ATOM 933 CB GLU A 64 -3.146 1.820 7.987 1.00 0.00 C ATOM 934 CG GLU A 64 -4.227 2.426 8.883 1.00 0.00 C ATOM 935 CD GLU A 64 -5.498 1.574 8.862 1.00 0.00 C ATOM 936 OE1 GLU A 64 -6.000 1.332 7.744 1.00 0.00 O ATOM 937 OE2 GLU A 64 -5.937 1.183 9.966 1.00 0.00 O ATOM 0 H GLU A 64 -4.107 4.315 6.351 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.234 2.192 6.096 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.302 0.745 7.899 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -2.167 1.964 8.444 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.855 2.506 9.905 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.457 3.437 8.548 1.00 0.00 H new ATOM 944 N LEU A 65 -4.286 0.624 5.507 1.00 0.00 N ATOM 945 CA LEU A 65 -5.327 -0.021 4.726 1.00 0.00 C ATOM 946 C LEU A 65 -5.225 -1.538 4.901 1.00 0.00 C ATOM 947 O LEU A 65 -4.150 -2.061 5.190 1.00 0.00 O ATOM 948 CB LEU A 65 -5.264 0.435 3.267 1.00 0.00 C ATOM 949 CG LEU A 65 -6.142 -0.341 2.283 1.00 0.00 C ATOM 950 CD1 LEU A 65 -7.585 0.165 2.319 1.00 0.00 C ATOM 951 CD2 LEU A 65 -5.554 -0.295 0.871 1.00 0.00 C ATOM 0 H LEU A 65 -3.545 0.001 5.827 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.312 0.276 5.086 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.546 1.487 3.223 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.229 0.368 2.931 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.160 -1.386 2.591 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.188 -0.403 1.610 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.990 0.039 3.323 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.607 1.221 2.049 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.197 -0.854 0.191 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.487 0.741 0.538 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.559 -0.739 0.877 1.00 0.00 H new ATOM 963 N LEU A 66 -6.358 -2.200 4.718 1.00 0.00 N ATOM 964 CA LEU A 66 -6.408 -3.646 4.853 1.00 0.00 C ATOM 965 C LEU A 66 -6.414 -4.283 3.461 1.00 0.00 C ATOM 966 O LEU A 66 -7.065 -3.780 2.547 1.00 0.00 O ATOM 967 CB LEU A 66 -7.595 -4.062 5.724 1.00 0.00 C ATOM 968 CG LEU A 66 -7.586 -5.508 6.225 1.00 0.00 C ATOM 969 CD1 LEU A 66 -7.092 -5.584 7.671 1.00 0.00 C ATOM 970 CD2 LEU A 66 -8.961 -6.156 6.054 1.00 0.00 C ATOM 0 H LEU A 66 -7.247 -1.762 4.478 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.520 -4.012 5.369 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.636 -3.399 6.588 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.511 -3.901 5.156 1.00 0.00 H new ATOM 0 HG LEU A 66 -6.884 -6.077 5.615 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -7.095 -6.622 8.003 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.078 -5.187 7.731 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.750 -4.996 8.312 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.927 -7.183 6.418 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.701 -5.594 6.623 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.236 -6.154 4.999 1.00 0.00 H new ATOM 982 N VAL A 67 -5.681 -5.381 3.345 1.00 0.00 N ATOM 983 CA VAL A 67 -5.593 -6.092 2.081 1.00 0.00 C ATOM 984 C VAL A 67 -5.555 -7.598 2.350 1.00 0.00 C ATOM 985 O VAL A 67 -4.483 -8.202 2.364 1.00 0.00 O ATOM 986 CB VAL A 67 -4.385 -5.595 1.284 1.00 0.00 C ATOM 987 CG1 VAL A 67 -4.055 -6.552 0.137 1.00 0.00 C ATOM 988 CG2 VAL A 67 -4.617 -4.175 0.765 1.00 0.00 C ATOM 0 H VAL A 67 -5.143 -5.795 4.106 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.473 -5.894 1.468 1.00 0.00 H new ATOM 0 HB VAL A 67 -3.527 -5.569 1.956 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.193 -6.176 -0.414 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.826 -7.538 0.541 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.911 -6.624 -0.534 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.743 -3.846 0.202 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.492 -4.163 0.116 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.781 -3.502 1.607 1.00 0.00 H new ATOM 998 N PRO A 68 -6.767 -8.175 2.561 1.00 0.00 N ATOM 999 CA PRO A 68 -6.882 -9.599 2.829 1.00 0.00 C ATOM 1000 C PRO A 68 -6.678 -10.415 1.550 1.00 0.00 C ATOM 1001 O PRO A 68 -6.553 -11.637 1.603 1.00 0.00 O ATOM 1002 CB PRO A 68 -8.266 -9.776 3.432 1.00 0.00 C ATOM 1003 CG PRO A 68 -9.048 -8.529 3.053 1.00 0.00 C ATOM 1004 CD PRO A 68 -8.057 -7.491 2.552 1.00 0.00 C ATOM 0 HA PRO A 68 -6.115 -9.962 3.514 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -8.749 -10.673 3.044 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -8.209 -9.887 4.515 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -9.783 -8.759 2.281 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -9.598 -8.147 3.913 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -8.316 -7.147 1.551 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -8.044 -6.612 3.197 1.00 0.00 H new ATOM 1012 N GLY A 69 -6.651 -9.705 0.432 1.00 0.00 N ATOM 1013 CA GLY A 69 -6.464 -10.348 -0.858 1.00 0.00 C ATOM 1014 C GLY A 69 -5.040 -10.889 -1.000 1.00 0.00 C ATOM 1015 O GLY A 69 -4.351 -10.586 -1.973 1.00 0.00 O ATOM 0 H GLY A 69 -6.755 -8.691 0.392 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -7.179 -11.163 -0.969 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -6.667 -9.635 -1.657 1.00 0.00 H new ATOM 1019 N LEU A 70 -4.641 -11.680 -0.015 1.00 0.00 N ATOM 1020 CA LEU A 70 -3.311 -12.266 -0.018 1.00 0.00 C ATOM 1021 C LEU A 70 -3.430 -13.790 -0.084 1.00 0.00 C ATOM 1022 O LEU A 70 -4.479 -14.349 0.234 1.00 0.00 O ATOM 1023 CB LEU A 70 -2.501 -11.763 1.178 1.00 0.00 C ATOM 1024 CG LEU A 70 -2.263 -10.253 1.240 1.00 0.00 C ATOM 1025 CD1 LEU A 70 -0.985 -9.931 2.017 1.00 0.00 C ATOM 1026 CD2 LEU A 70 -2.249 -9.643 -0.163 1.00 0.00 C ATOM 0 H LEU A 70 -5.215 -11.929 0.791 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.758 -11.951 -0.903 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.012 -12.068 2.091 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.533 -12.263 1.172 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.092 -9.798 1.781 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.839 -8.851 2.046 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.072 -10.313 3.034 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.132 -10.399 1.525 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.078 -8.569 -0.091 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.452 -10.099 -0.750 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.207 -9.826 -0.649 1.00 0.00 H new ATOM 1038 N ILE A 71 -2.340 -14.419 -0.499 1.00 0.00 N ATOM 1039 CA ILE A 71 -2.309 -15.868 -0.610 1.00 0.00 C ATOM 1040 C ILE A 71 -1.291 -16.430 0.385 1.00 0.00 C ATOM 1041 O ILE A 71 -0.442 -15.697 0.890 1.00 0.00 O ATOM 1042 CB ILE A 71 -2.051 -16.289 -2.058 1.00 0.00 C ATOM 1043 CG1 ILE A 71 -2.988 -15.554 -3.018 1.00 0.00 C ATOM 1044 CG2 ILE A 71 -2.147 -17.808 -2.213 1.00 0.00 C ATOM 1045 CD1 ILE A 71 -4.188 -16.428 -3.390 1.00 0.00 C ATOM 0 H ILE A 71 -1.472 -13.952 -0.762 1.00 0.00 H new ATOM 0 HA ILE A 71 -3.279 -16.291 -0.347 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.033 -16.003 -2.321 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.336 -14.630 -2.556 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.444 -15.274 -3.920 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.959 -18.080 -3.252 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.406 -18.287 -1.573 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.144 -18.141 -1.925 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -4.838 -15.882 -4.073 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -3.838 -17.340 -3.874 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.744 -16.686 -2.488 1.00 0.00 H new ATOM 1057 N LYS A 72 -1.410 -17.725 0.636 1.00 0.00 N ATOM 1058 CA LYS A 72 -0.511 -18.394 1.561 1.00 0.00 C ATOM 1059 C LYS A 72 0.584 -19.114 0.771 1.00 0.00 C ATOM 1060 O LYS A 72 0.420 -19.384 -0.418 1.00 0.00 O ATOM 1061 CB LYS A 72 -1.295 -19.311 2.502 1.00 0.00 C ATOM 1062 CG LYS A 72 -1.734 -20.588 1.782 1.00 0.00 C ATOM 1063 CD LYS A 72 -3.258 -20.724 1.787 1.00 0.00 C ATOM 1064 CE LYS A 72 -3.756 -21.356 0.485 1.00 0.00 C ATOM 1065 NZ LYS A 72 -4.456 -22.630 0.763 1.00 0.00 N ATOM 0 H LYS A 72 -2.116 -18.329 0.215 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.015 -17.666 2.203 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.678 -19.568 3.363 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.170 -18.785 2.883 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.370 -20.574 0.755 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.286 -21.455 2.267 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.569 -21.335 2.634 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -3.714 -19.742 1.917 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.429 -20.668 -0.026 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.915 -21.535 -0.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.788 -23.046 -0.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.803 -23.290 1.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.270 -22.450 1.384 1.00 0.00 H new ATOM 1079 N ASP A 73 1.675 -19.404 1.464 1.00 0.00 N ATOM 1080 CA ASP A 73 2.797 -20.087 0.842 1.00 0.00 C ATOM 1081 C ASP A 73 3.475 -19.143 -0.154 1.00 0.00 C ATOM 1082 O ASP A 73 4.375 -19.551 -0.886 1.00 0.00 O ATOM 1083 CB ASP A 73 2.330 -21.326 0.075 1.00 0.00 C ATOM 1084 CG ASP A 73 3.129 -22.600 0.358 1.00 0.00 C ATOM 1085 OD1 ASP A 73 4.211 -22.467 0.970 1.00 0.00 O ATOM 1086 OD2 ASP A 73 2.639 -23.678 -0.043 1.00 0.00 O ATOM 0 H ASP A 73 1.806 -19.179 2.450 1.00 0.00 H new ATOM 0 HA ASP A 73 3.487 -20.388 1.630 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.283 -21.511 0.315 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.379 -21.114 -0.993 1.00 0.00 H new ATOM 1091 N VAL A 74 3.017 -17.900 -0.148 1.00 0.00 N ATOM 1092 CA VAL A 74 3.568 -16.895 -1.041 1.00 0.00 C ATOM 1093 C VAL A 74 3.945 -15.652 -0.233 1.00 0.00 C ATOM 1094 O VAL A 74 3.679 -15.583 0.966 1.00 0.00 O ATOM 1095 CB VAL A 74 2.578 -16.598 -2.169 1.00 0.00 C ATOM 1096 CG1 VAL A 74 2.270 -17.861 -2.976 1.00 0.00 C ATOM 1097 CG2 VAL A 74 1.294 -15.971 -1.621 1.00 0.00 C ATOM 0 H VAL A 74 2.270 -17.566 0.461 1.00 0.00 H new ATOM 0 HA VAL A 74 4.478 -17.263 -1.514 1.00 0.00 H new ATOM 0 HB VAL A 74 3.043 -15.877 -2.841 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.564 -17.622 -3.771 1.00 0.00 H new ATOM 0 HG12 VAL A 74 3.191 -18.247 -3.413 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.835 -18.615 -2.320 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.608 -15.770 -2.443 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.825 -16.658 -0.917 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.534 -15.037 -1.112 1.00 0.00 H new ATOM 1107 N LEU A 75 4.558 -14.701 -0.922 1.00 0.00 N ATOM 1108 CA LEU A 75 4.974 -13.464 -0.283 1.00 0.00 C ATOM 1109 C LEU A 75 4.434 -12.276 -1.082 1.00 0.00 C ATOM 1110 O LEU A 75 5.039 -11.860 -2.069 1.00 0.00 O ATOM 1111 CB LEU A 75 6.492 -13.441 -0.098 1.00 0.00 C ATOM 1112 CG LEU A 75 7.008 -12.663 1.115 1.00 0.00 C ATOM 1113 CD1 LEU A 75 5.879 -11.877 1.783 1.00 0.00 C ATOM 1114 CD2 LEU A 75 7.721 -13.593 2.100 1.00 0.00 C ATOM 0 H LEU A 75 4.777 -14.762 -1.916 1.00 0.00 H new ATOM 0 HA LEU A 75 4.553 -13.393 0.720 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.845 -14.470 -0.022 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.941 -13.016 -0.995 1.00 0.00 H new ATOM 0 HG LEU A 75 7.743 -11.937 0.768 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.273 -11.333 2.642 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.456 -11.170 1.069 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.103 -12.566 2.115 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.078 -13.015 2.953 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.026 -14.358 2.446 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.567 -14.068 1.604 1.00 0.00 H new ATOM 1126 N TYR A 76 3.301 -11.763 -0.625 1.00 0.00 N ATOM 1127 CA TYR A 76 2.672 -10.631 -1.285 1.00 0.00 C ATOM 1128 C TYR A 76 3.331 -9.316 -0.863 1.00 0.00 C ATOM 1129 O TYR A 76 3.456 -9.034 0.328 1.00 0.00 O ATOM 1130 CB TYR A 76 1.214 -10.629 -0.821 1.00 0.00 C ATOM 1131 CG TYR A 76 0.231 -11.180 -1.856 1.00 0.00 C ATOM 1132 CD1 TYR A 76 -0.002 -12.538 -1.932 1.00 0.00 C ATOM 1133 CD2 TYR A 76 -0.422 -10.319 -2.714 1.00 0.00 C ATOM 1134 CE1 TYR A 76 -0.927 -13.057 -2.906 1.00 0.00 C ATOM 1135 CE2 TYR A 76 -1.347 -10.837 -3.689 1.00 0.00 C ATOM 1136 CZ TYR A 76 -1.554 -12.181 -3.736 1.00 0.00 C ATOM 1137 OH TYR A 76 -2.428 -12.670 -4.657 1.00 0.00 O ATOM 0 H TYR A 76 2.802 -12.110 0.194 1.00 0.00 H new ATOM 0 HA TYR A 76 2.766 -10.717 -2.368 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.133 -11.219 0.092 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.925 -9.609 -0.568 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.510 -13.212 -1.261 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -0.239 -9.256 -2.654 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.118 -14.118 -2.976 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -1.864 -10.174 -4.367 1.00 0.00 H new ATOM 0 HH TYR A 76 -2.219 -12.295 -5.538 1.00 0.00 H new ATOM 1147 N GLU A 77 3.734 -8.546 -1.863 1.00 0.00 N ATOM 1148 CA GLU A 77 4.376 -7.267 -1.611 1.00 0.00 C ATOM 1149 C GLU A 77 3.336 -6.146 -1.585 1.00 0.00 C ATOM 1150 O GLU A 77 2.146 -6.395 -1.774 1.00 0.00 O ATOM 1151 CB GLU A 77 5.462 -6.985 -2.651 1.00 0.00 C ATOM 1152 CG GLU A 77 6.799 -7.596 -2.229 1.00 0.00 C ATOM 1153 CD GLU A 77 7.618 -8.020 -3.449 1.00 0.00 C ATOM 1154 OE1 GLU A 77 7.188 -8.989 -4.112 1.00 0.00 O ATOM 1155 OE2 GLU A 77 8.656 -7.367 -3.692 1.00 0.00 O ATOM 0 H GLU A 77 3.628 -8.783 -2.849 1.00 0.00 H new ATOM 0 HA GLU A 77 4.857 -7.310 -0.634 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.161 -7.393 -3.616 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.575 -5.909 -2.781 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.364 -6.873 -1.641 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.622 -8.459 -1.588 1.00 0.00 H new ATOM 1162 N PHE A 78 3.822 -4.936 -1.350 1.00 0.00 N ATOM 1163 CA PHE A 78 2.948 -3.776 -1.298 1.00 0.00 C ATOM 1164 C PHE A 78 3.721 -2.494 -1.612 1.00 0.00 C ATOM 1165 O PHE A 78 4.944 -2.455 -1.488 1.00 0.00 O ATOM 1166 CB PHE A 78 2.402 -3.692 0.129 1.00 0.00 C ATOM 1167 CG PHE A 78 1.394 -4.790 0.475 1.00 0.00 C ATOM 1168 CD1 PHE A 78 0.195 -4.838 -0.165 1.00 0.00 C ATOM 1169 CD2 PHE A 78 1.696 -5.716 1.423 1.00 0.00 C ATOM 1170 CE1 PHE A 78 -0.741 -5.857 0.156 1.00 0.00 C ATOM 1171 CE2 PHE A 78 0.761 -6.735 1.745 1.00 0.00 C ATOM 1172 CZ PHE A 78 -0.438 -6.784 1.104 1.00 0.00 C ATOM 0 H PHE A 78 4.809 -4.734 -1.194 1.00 0.00 H new ATOM 0 HA PHE A 78 2.150 -3.877 -2.034 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.235 -3.744 0.830 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.928 -2.721 0.269 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.045 -4.101 -0.917 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.648 -5.677 1.932 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.693 -5.896 -0.353 1.00 0.00 H new ATOM 0 HE2 PHE A 78 1.002 -7.471 2.498 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.149 -7.559 1.348 1.00 0.00 H new ATOM 1182 N ARG A 79 2.975 -1.474 -2.012 1.00 0.00 N ATOM 1183 CA ARG A 79 3.574 -0.193 -2.345 1.00 0.00 C ATOM 1184 C ARG A 79 2.501 0.895 -2.408 1.00 0.00 C ATOM 1185 O ARG A 79 1.484 0.731 -3.081 1.00 0.00 O ATOM 1186 CB ARG A 79 4.304 -0.259 -3.688 1.00 0.00 C ATOM 1187 CG ARG A 79 3.321 -0.510 -4.834 1.00 0.00 C ATOM 1188 CD ARG A 79 4.062 -0.865 -6.125 1.00 0.00 C ATOM 1189 NE ARG A 79 3.521 -0.075 -7.253 1.00 0.00 N ATOM 1190 CZ ARG A 79 3.883 -0.247 -8.532 1.00 0.00 C ATOM 1191 NH1 ARG A 79 4.790 -1.180 -8.852 1.00 0.00 N ATOM 1192 NH2 ARG A 79 3.340 0.516 -9.490 1.00 0.00 N ATOM 0 H ARG A 79 1.961 -1.509 -2.113 1.00 0.00 H new ATOM 0 HA ARG A 79 4.295 0.049 -1.564 1.00 0.00 H new ATOM 0 HB2 ARG A 79 4.840 0.674 -3.861 1.00 0.00 H new ATOM 0 HB3 ARG A 79 5.049 -1.054 -3.662 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.643 -1.320 -4.565 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.709 0.378 -4.994 1.00 0.00 H new ATOM 0 HD2 ARG A 79 5.127 -0.666 -6.009 1.00 0.00 H new ATOM 0 HD3 ARG A 79 3.957 -1.930 -6.333 1.00 0.00 H new ATOM 0 HE ARG A 79 2.830 0.645 -7.044 1.00 0.00 H new ATOM 0 HH11 ARG A 79 5.205 -1.759 -8.122 1.00 0.00 H new ATOM 0 HH12 ARG A 79 5.065 -1.311 -9.825 1.00 0.00 H new ATOM 0 HH21 ARG A 79 2.651 1.228 -9.246 1.00 0.00 H new ATOM 0 HH22 ARG A 79 3.615 0.385 -10.463 1.00 0.00 H new ATOM 1206 N LEU A 80 2.763 1.982 -1.698 1.00 0.00 N ATOM 1207 CA LEU A 80 1.832 3.097 -1.665 1.00 0.00 C ATOM 1208 C LEU A 80 2.348 4.214 -2.574 1.00 0.00 C ATOM 1209 O LEU A 80 3.525 4.568 -2.521 1.00 0.00 O ATOM 1210 CB LEU A 80 1.582 3.544 -0.223 1.00 0.00 C ATOM 1211 CG LEU A 80 0.123 3.811 0.154 1.00 0.00 C ATOM 1212 CD1 LEU A 80 -0.024 5.165 0.850 1.00 0.00 C ATOM 1213 CD2 LEU A 80 -0.789 3.693 -1.069 1.00 0.00 C ATOM 0 H LEU A 80 3.607 2.115 -1.141 1.00 0.00 H new ATOM 0 HA LEU A 80 0.860 2.793 -2.053 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.975 2.779 0.447 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.156 4.453 -0.041 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.192 3.048 0.865 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.070 5.330 1.107 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.579 5.175 1.758 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.314 5.956 0.181 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.820 3.887 -0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.484 4.420 -1.822 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.713 2.688 -1.484 1.00 0.00 H new ATOM 1225 N VAL A 81 1.442 4.738 -3.386 1.00 0.00 N ATOM 1226 CA VAL A 81 1.791 5.808 -4.305 1.00 0.00 C ATOM 1227 C VAL A 81 0.815 6.972 -4.120 1.00 0.00 C ATOM 1228 O VAL A 81 -0.293 6.949 -4.653 1.00 0.00 O ATOM 1229 CB VAL A 81 1.821 5.276 -5.740 1.00 0.00 C ATOM 1230 CG1 VAL A 81 1.861 6.425 -6.750 1.00 0.00 C ATOM 1231 CG2 VAL A 81 3.000 4.323 -5.946 1.00 0.00 C ATOM 0 H VAL A 81 0.467 4.442 -3.427 1.00 0.00 H new ATOM 0 HA VAL A 81 2.791 6.185 -4.091 1.00 0.00 H new ATOM 0 HB VAL A 81 0.902 4.714 -5.909 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.882 6.020 -7.762 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.975 7.049 -6.627 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.754 7.026 -6.582 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.999 3.959 -6.973 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.933 4.851 -5.749 1.00 0.00 H new ATOM 0 HG23 VAL A 81 2.909 3.479 -5.262 1.00 0.00 H new ATOM 1241 N ALA A 82 1.263 7.963 -3.363 1.00 0.00 N ATOM 1242 CA ALA A 82 0.444 9.134 -3.101 1.00 0.00 C ATOM 1243 C ALA A 82 0.391 10.005 -4.357 1.00 0.00 C ATOM 1244 O ALA A 82 1.375 10.109 -5.087 1.00 0.00 O ATOM 1245 CB ALA A 82 1.002 9.887 -1.892 1.00 0.00 C ATOM 0 H ALA A 82 2.183 7.979 -2.923 1.00 0.00 H new ATOM 0 HA ALA A 82 -0.578 8.842 -2.859 1.00 0.00 H new ATOM 0 HB1 ALA A 82 0.388 10.766 -1.695 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.991 9.234 -1.020 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.026 10.199 -2.098 1.00 0.00 H new ATOM 1251 N PHE A 83 -0.769 10.610 -4.570 1.00 0.00 N ATOM 1252 CA PHE A 83 -0.963 11.470 -5.726 1.00 0.00 C ATOM 1253 C PHE A 83 -1.946 12.599 -5.410 1.00 0.00 C ATOM 1254 O PHE A 83 -2.910 12.400 -4.672 1.00 0.00 O ATOM 1255 CB PHE A 83 -1.547 10.597 -6.838 1.00 0.00 C ATOM 1256 CG PHE A 83 -2.895 9.963 -6.489 1.00 0.00 C ATOM 1257 CD1 PHE A 83 -4.024 10.721 -6.487 1.00 0.00 C ATOM 1258 CD2 PHE A 83 -2.964 8.640 -6.181 1.00 0.00 C ATOM 1259 CE1 PHE A 83 -5.275 10.133 -6.163 1.00 0.00 C ATOM 1260 CE2 PHE A 83 -4.215 8.051 -5.857 1.00 0.00 C ATOM 1261 CZ PHE A 83 -5.344 8.810 -5.854 1.00 0.00 C ATOM 0 H PHE A 83 -1.583 10.522 -3.962 1.00 0.00 H new ATOM 0 HA PHE A 83 -0.015 11.922 -6.018 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -1.664 11.202 -7.737 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.836 9.806 -7.076 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.969 11.771 -6.732 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -2.068 8.038 -6.183 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -6.171 10.736 -6.162 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -4.270 7.000 -5.613 1.00 0.00 H new ATOM 0 HZ PHE A 83 -6.295 8.362 -5.606 1.00 0.00 H new ATOM 1271 N ALA A 84 -1.668 13.760 -5.984 1.00 0.00 N ATOM 1272 CA ALA A 84 -2.516 14.921 -5.774 1.00 0.00 C ATOM 1273 C ALA A 84 -2.977 15.463 -7.128 1.00 0.00 C ATOM 1274 O ALA A 84 -2.188 16.053 -7.865 1.00 0.00 O ATOM 1275 CB ALA A 84 -1.755 15.967 -4.955 1.00 0.00 C ATOM 0 H ALA A 84 -0.867 13.922 -6.595 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.407 14.648 -5.208 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.391 16.838 -4.797 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.476 15.542 -3.991 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -0.856 16.267 -5.493 1.00 0.00 H new ATOM 1281 N GLY A 85 -4.252 15.244 -7.414 1.00 0.00 N ATOM 1282 CA GLY A 85 -4.827 15.704 -8.667 1.00 0.00 C ATOM 1283 C GLY A 85 -4.126 15.056 -9.862 1.00 0.00 C ATOM 1284 O GLY A 85 -4.245 13.851 -10.078 1.00 0.00 O ATOM 0 H GLY A 85 -4.903 14.754 -6.800 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.891 15.467 -8.692 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.741 16.788 -8.734 1.00 0.00 H new ATOM 1288 N SER A 86 -3.411 15.885 -10.609 1.00 0.00 N ATOM 1289 CA SER A 86 -2.690 15.408 -11.777 1.00 0.00 C ATOM 1290 C SER A 86 -1.264 15.014 -11.388 1.00 0.00 C ATOM 1291 O SER A 86 -0.493 14.553 -12.227 1.00 0.00 O ATOM 1292 CB SER A 86 -2.666 16.468 -12.880 1.00 0.00 C ATOM 1293 OG SER A 86 -3.249 15.993 -14.090 1.00 0.00 O ATOM 0 H SER A 86 -3.316 16.884 -10.428 1.00 0.00 H new ATOM 0 HA SER A 86 -3.209 14.531 -12.164 1.00 0.00 H new ATOM 0 HB2 SER A 86 -3.203 17.354 -12.543 1.00 0.00 H new ATOM 0 HB3 SER A 86 -1.636 16.772 -13.069 1.00 0.00 H new ATOM 0 HG SER A 86 -3.216 16.699 -14.768 1.00 0.00 H new ATOM 1299 N PHE A 87 -0.957 15.210 -10.114 1.00 0.00 N ATOM 1300 CA PHE A 87 0.363 14.881 -9.603 1.00 0.00 C ATOM 1301 C PHE A 87 0.355 13.524 -8.897 1.00 0.00 C ATOM 1302 O PHE A 87 -0.658 13.123 -8.325 1.00 0.00 O ATOM 1303 CB PHE A 87 0.734 15.967 -8.591 1.00 0.00 C ATOM 1304 CG PHE A 87 0.751 17.381 -9.174 1.00 0.00 C ATOM 1305 CD1 PHE A 87 0.569 17.569 -10.509 1.00 0.00 C ATOM 1306 CD2 PHE A 87 0.948 18.451 -8.358 1.00 0.00 C ATOM 1307 CE1 PHE A 87 0.584 18.882 -11.050 1.00 0.00 C ATOM 1308 CE2 PHE A 87 0.963 19.764 -8.899 1.00 0.00 C ATOM 1309 CZ PHE A 87 0.781 19.951 -10.234 1.00 0.00 C ATOM 0 H PHE A 87 -1.600 15.593 -9.420 1.00 0.00 H new ATOM 0 HA PHE A 87 1.078 14.829 -10.424 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.026 15.935 -7.763 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.718 15.744 -8.178 1.00 0.00 H new ATOM 0 HD1 PHE A 87 0.413 16.720 -11.158 1.00 0.00 H new ATOM 0 HD2 PHE A 87 1.093 18.302 -7.298 1.00 0.00 H new ATOM 0 HE1 PHE A 87 0.439 19.031 -12.110 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.119 20.614 -8.251 1.00 0.00 H new ATOM 0 HZ PHE A 87 0.793 20.949 -10.646 1.00 0.00 H new ATOM 1319 N VAL A 88 1.496 12.853 -8.960 1.00 0.00 N ATOM 1320 CA VAL A 88 1.633 11.549 -8.334 1.00 0.00 C ATOM 1321 C VAL A 88 3.009 11.449 -7.671 1.00 0.00 C ATOM 1322 O VAL A 88 3.917 12.211 -8.000 1.00 0.00 O ATOM 1323 CB VAL A 88 1.383 10.445 -9.363 1.00 0.00 C ATOM 1324 CG1 VAL A 88 -0.113 10.278 -9.635 1.00 0.00 C ATOM 1325 CG2 VAL A 88 2.148 10.721 -10.659 1.00 0.00 C ATOM 0 H VAL A 88 2.334 13.188 -9.435 1.00 0.00 H new ATOM 0 HA VAL A 88 0.885 11.420 -7.552 1.00 0.00 H new ATOM 0 HB VAL A 88 1.755 9.509 -8.947 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.263 9.487 -10.370 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.624 10.015 -8.709 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.519 11.213 -10.020 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.953 9.921 -11.374 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.820 11.672 -11.080 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.216 10.767 -10.448 1.00 0.00 H new ATOM 1335 N SER A 89 3.119 10.502 -6.751 1.00 0.00 N ATOM 1336 CA SER A 89 4.369 10.292 -6.040 1.00 0.00 C ATOM 1337 C SER A 89 4.874 8.868 -6.279 1.00 0.00 C ATOM 1338 O SER A 89 4.127 8.011 -6.750 1.00 0.00 O ATOM 1339 CB SER A 89 4.200 10.550 -4.541 1.00 0.00 C ATOM 1340 OG SER A 89 3.566 9.459 -3.879 1.00 0.00 O ATOM 0 H SER A 89 2.364 9.872 -6.482 1.00 0.00 H new ATOM 0 HA SER A 89 5.103 11.001 -6.423 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.177 10.728 -4.092 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.611 11.455 -4.393 1.00 0.00 H new ATOM 0 HG SER A 89 2.773 9.185 -4.386 1.00 0.00 H new ATOM 1346 N ASP A 90 6.139 8.659 -5.944 1.00 0.00 N ATOM 1347 CA ASP A 90 6.753 7.353 -6.116 1.00 0.00 C ATOM 1348 C ASP A 90 6.134 6.368 -5.122 1.00 0.00 C ATOM 1349 O ASP A 90 5.574 6.776 -4.106 1.00 0.00 O ATOM 1350 CB ASP A 90 8.258 7.412 -5.849 1.00 0.00 C ATOM 1351 CG ASP A 90 9.118 7.757 -7.066 1.00 0.00 C ATOM 1352 OD1 ASP A 90 8.548 7.767 -8.179 1.00 0.00 O ATOM 1353 OD2 ASP A 90 10.326 8.002 -6.857 1.00 0.00 O ATOM 0 H ASP A 90 6.755 9.372 -5.554 1.00 0.00 H new ATOM 0 HA ASP A 90 6.582 7.033 -7.144 1.00 0.00 H new ATOM 0 HB2 ASP A 90 8.445 8.151 -5.070 1.00 0.00 H new ATOM 0 HB3 ASP A 90 8.580 6.447 -5.457 1.00 0.00 H new ATOM 1358 N PRO A 91 6.260 5.057 -5.459 1.00 0.00 N ATOM 1359 CA PRO A 91 5.720 4.010 -4.607 1.00 0.00 C ATOM 1360 C PRO A 91 6.591 3.811 -3.365 1.00 0.00 C ATOM 1361 O PRO A 91 7.670 3.226 -3.446 1.00 0.00 O ATOM 1362 CB PRO A 91 5.657 2.776 -5.493 1.00 0.00 C ATOM 1363 CG PRO A 91 6.590 3.052 -6.660 1.00 0.00 C ATOM 1364 CD PRO A 91 6.917 4.537 -6.654 1.00 0.00 C ATOM 0 HA PRO A 91 4.732 4.253 -4.215 1.00 0.00 H new ATOM 0 HB2 PRO A 91 5.969 1.886 -4.946 1.00 0.00 H new ATOM 0 HB3 PRO A 91 4.640 2.596 -5.841 1.00 0.00 H new ATOM 0 HG2 PRO A 91 7.501 2.460 -6.569 1.00 0.00 H new ATOM 0 HG3 PRO A 91 6.119 2.769 -7.601 1.00 0.00 H new ATOM 0 HD2 PRO A 91 7.993 4.705 -6.619 1.00 0.00 H new ATOM 0 HD3 PRO A 91 6.547 5.027 -7.554 1.00 0.00 H new ATOM 1372 N SER A 92 6.088 4.307 -2.244 1.00 0.00 N ATOM 1373 CA SER A 92 6.807 4.191 -0.986 1.00 0.00 C ATOM 1374 C SER A 92 7.453 2.808 -0.879 1.00 0.00 C ATOM 1375 O SER A 92 7.075 1.885 -1.598 1.00 0.00 O ATOM 1376 CB SER A 92 5.877 4.436 0.204 1.00 0.00 C ATOM 1377 OG SER A 92 4.702 3.633 0.138 1.00 0.00 O ATOM 0 H SER A 92 5.192 4.790 -2.180 1.00 0.00 H new ATOM 0 HA SER A 92 7.587 4.952 -0.966 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.410 4.223 1.131 1.00 0.00 H new ATOM 0 HB3 SER A 92 5.595 5.489 0.233 1.00 0.00 H new ATOM 0 HG SER A 92 4.189 3.870 -0.662 1.00 0.00 H new ATOM 1383 N ASN A 93 8.416 2.709 0.025 1.00 0.00 N ATOM 1384 CA ASN A 93 9.119 1.454 0.236 1.00 0.00 C ATOM 1385 C ASN A 93 8.139 0.292 0.065 1.00 0.00 C ATOM 1386 O ASN A 93 6.940 0.447 0.289 1.00 0.00 O ATOM 1387 CB ASN A 93 9.699 1.379 1.650 1.00 0.00 C ATOM 1388 CG ASN A 93 8.682 1.860 2.687 1.00 0.00 C ATOM 1389 OD1 ASN A 93 8.063 2.902 2.550 1.00 0.00 O ATOM 1390 ND2 ASN A 93 8.544 1.044 3.728 1.00 0.00 N ATOM 0 H ASN A 93 8.726 3.477 0.620 1.00 0.00 H new ATOM 0 HA ASN A 93 9.930 1.395 -0.490 1.00 0.00 H new ATOM 0 HB2 ASN A 93 9.993 0.353 1.872 1.00 0.00 H new ATOM 0 HB3 ASN A 93 10.601 1.989 1.710 1.00 0.00 H new ATOM 0 HD21 ASN A 93 7.888 1.276 4.474 1.00 0.00 H new ATOM 0 HD22 ASN A 93 9.094 0.186 3.780 1.00 0.00 H new ATOM 1397 N THR A 94 8.687 -0.848 -0.332 1.00 0.00 N ATOM 1398 CA THR A 94 7.876 -2.036 -0.536 1.00 0.00 C ATOM 1399 C THR A 94 7.751 -2.827 0.768 1.00 0.00 C ATOM 1400 O THR A 94 8.726 -2.978 1.503 1.00 0.00 O ATOM 1401 CB THR A 94 8.498 -2.842 -1.678 1.00 0.00 C ATOM 1402 OG1 THR A 94 8.895 -1.853 -2.624 1.00 0.00 O ATOM 1403 CG2 THR A 94 7.465 -3.684 -2.431 1.00 0.00 C ATOM 0 H THR A 94 9.682 -0.974 -0.518 1.00 0.00 H new ATOM 0 HA THR A 94 6.857 -1.775 -0.820 1.00 0.00 H new ATOM 0 HB THR A 94 9.277 -3.493 -1.281 1.00 0.00 H new ATOM 0 HG1 THR A 94 9.310 -2.288 -3.398 1.00 0.00 H new ATOM 0 HG21 THR A 94 7.959 -4.236 -3.231 1.00 0.00 H new ATOM 0 HG22 THR A 94 6.996 -4.386 -1.742 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.704 -3.030 -2.857 1.00 0.00 H new ATOM 1411 N ALA A 95 6.543 -3.312 1.015 1.00 0.00 N ATOM 1412 CA ALA A 95 6.279 -4.084 2.217 1.00 0.00 C ATOM 1413 C ALA A 95 5.574 -5.388 1.837 1.00 0.00 C ATOM 1414 O ALA A 95 4.853 -5.440 0.841 1.00 0.00 O ATOM 1415 CB ALA A 95 5.457 -3.241 3.195 1.00 0.00 C ATOM 0 H ALA A 95 5.737 -3.185 0.403 1.00 0.00 H new ATOM 0 HA ALA A 95 7.212 -4.347 2.716 1.00 0.00 H new ATOM 0 HB1 ALA A 95 5.259 -3.820 4.097 1.00 0.00 H new ATOM 0 HB2 ALA A 95 6.014 -2.341 3.457 1.00 0.00 H new ATOM 0 HB3 ALA A 95 4.512 -2.961 2.729 1.00 0.00 H new ATOM 1421 N ASN A 96 5.807 -6.408 2.649 1.00 0.00 N ATOM 1422 CA ASN A 96 5.203 -7.708 2.410 1.00 0.00 C ATOM 1423 C ASN A 96 4.983 -8.417 3.748 1.00 0.00 C ATOM 1424 O ASN A 96 5.570 -8.037 4.759 1.00 0.00 O ATOM 1425 CB ASN A 96 6.114 -8.589 1.552 1.00 0.00 C ATOM 1426 CG ASN A 96 7.445 -8.853 2.258 1.00 0.00 C ATOM 1427 OD1 ASN A 96 7.579 -8.704 3.462 1.00 0.00 O ATOM 1428 ND2 ASN A 96 8.418 -9.253 1.446 1.00 0.00 N ATOM 0 H ASN A 96 6.406 -6.361 3.473 1.00 0.00 H new ATOM 0 HA ASN A 96 4.259 -7.551 1.889 1.00 0.00 H new ATOM 0 HB2 ASN A 96 5.616 -9.536 1.341 1.00 0.00 H new ATOM 0 HB3 ASN A 96 6.297 -8.104 0.593 1.00 0.00 H new ATOM 0 HD21 ASN A 96 9.344 -9.456 1.821 1.00 0.00 H new ATOM 0 HD22 ASN A 96 8.238 -9.357 0.447 1.00 0.00 H new ATOM 1435 N VAL A 97 4.136 -9.435 3.709 1.00 0.00 N ATOM 1436 CA VAL A 97 3.831 -10.201 4.905 1.00 0.00 C ATOM 1437 C VAL A 97 4.009 -11.692 4.611 1.00 0.00 C ATOM 1438 O VAL A 97 3.543 -12.185 3.585 1.00 0.00 O ATOM 1439 CB VAL A 97 2.427 -9.854 5.405 1.00 0.00 C ATOM 1440 CG1 VAL A 97 2.051 -8.419 5.031 1.00 0.00 C ATOM 1441 CG2 VAL A 97 1.394 -10.849 4.873 1.00 0.00 C ATOM 0 H VAL A 97 3.651 -9.747 2.868 1.00 0.00 H new ATOM 0 HA VAL A 97 4.521 -9.944 5.709 1.00 0.00 H new ATOM 0 HB VAL A 97 2.431 -9.926 6.493 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.049 -8.198 5.398 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.763 -7.727 5.481 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.073 -8.308 3.947 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.405 -10.579 5.243 1.00 0.00 H new ATOM 0 HG22 VAL A 97 1.393 -10.824 3.783 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.647 -11.853 5.213 1.00 0.00 H new ATOM 1451 N SER A 98 4.684 -12.367 5.529 1.00 0.00 N ATOM 1452 CA SER A 98 4.930 -13.792 5.380 1.00 0.00 C ATOM 1453 C SER A 98 3.688 -14.583 5.796 1.00 0.00 C ATOM 1454 O SER A 98 2.813 -14.056 6.483 1.00 0.00 O ATOM 1455 CB SER A 98 6.140 -14.231 6.206 1.00 0.00 C ATOM 1456 OG SER A 98 6.959 -15.160 5.501 1.00 0.00 O ATOM 0 H SER A 98 5.068 -11.954 6.379 1.00 0.00 H new ATOM 0 HA SER A 98 5.148 -13.994 4.331 1.00 0.00 H new ATOM 0 HB2 SER A 98 6.732 -13.356 6.474 1.00 0.00 H new ATOM 0 HB3 SER A 98 5.799 -14.683 7.137 1.00 0.00 H new ATOM 0 HG SER A 98 7.722 -15.415 6.061 1.00 0.00 H new