USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 713 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 Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 19 THR OG1 : rot -64:sc= -0.0257 USER MOD Single : A 23 LYS NZ :NH3+ -162:sc= 1.28 (180deg=1.19) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl -121:sc= -0.702 (180deg=-3.21!) USER MOD Single : A 35 CYS SG : rot 93:sc= 1.72 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 77:sc= 0.364 USER MOD Single : A 38 TYR OH : rot -77:sc= 0.293 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 136:sc= 1.28 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -165:sc= -0.0102 (180deg=-0.151) USER MOD Single : A 63 CYS SG : rot -140:sc= -3.56! USER MOD Single : A 69 LYS NZ :NH3+ 157:sc= -0.0412 (180deg=-0.241) USER MOD Single : A 71 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0252) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 79 ASN : amide:sc= -0.243 K(o=-0.24,f=-4.2!) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 MET CE :methyl 179:sc= -0.17 (180deg=-0.173) USER MOD Single : A 83 HIS : no HD1:sc= -0.147 X(o=-0.15,f=-0.014) USER MOD Single : A 86 THR OG1 : rot 80:sc= 0.457 USER MOD Single : A 88 ASN : amide:sc= 1.03 K(o=1,f=0) USER MOD Single : A 89 GLN : amide:sc= 0.851 K(o=0.85,f=0) USER MOD Single : A 91 ASN : amide:sc= -0.0873 K(o=-0.087,f=-4.5!) USER MOD Single : A 98 ASN : amide:sc= 0.271 X(o=0.27,f=-0.089) USER MOD Single : A 99 SER OG : rot 180:sc= 0.0106 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 106 THR OG1 : rot -69:sc= 0.923 USER MOD ----------------------------------------------------------------- ATOM 115 N ILE A 10 -6.719 4.542 9.532 1.00 11.44 N ATOM 116 CA ILE A 10 -5.585 4.043 8.766 1.00 13.54 C ATOM 117 C ILE A 10 -4.993 5.214 7.976 1.00 35.15 C ATOM 118 O ILE A 10 -5.673 5.833 7.161 1.00 33.43 O ATOM 119 CB ILE A 10 -6.052 2.887 7.850 1.00 43.11 C ATOM 120 CG1 ILE A 10 -6.556 1.700 8.703 1.00 21.12 C ATOM 121 CG2 ILE A 10 -4.918 2.412 6.923 1.00 74.32 C ATOM 122 CD1 ILE A 10 -7.383 0.703 7.894 1.00 54.44 C ATOM 0 HA ILE A 10 -4.809 3.640 9.417 1.00 13.54 H new ATOM 0 HB ILE A 10 -6.866 3.263 7.231 1.00 43.11 H new ATOM 0 HG12 ILE A 10 -5.702 1.185 9.143 1.00 21.12 H new ATOM 0 HG13 ILE A 10 -7.158 2.080 9.528 1.00 21.12 H new ATOM 0 HG21 ILE A 10 -5.279 1.599 6.293 1.00 74.32 H new ATOM 0 HG22 ILE A 10 -4.591 3.240 6.295 1.00 74.32 H new ATOM 0 HG23 ILE A 10 -4.080 2.060 7.524 1.00 74.32 H new ATOM 0 HD11 ILE A 10 -7.711 -0.109 8.543 1.00 54.44 H new ATOM 0 HD12 ILE A 10 -8.254 1.207 7.476 1.00 54.44 H new ATOM 0 HD13 ILE A 10 -6.775 0.298 7.085 1.00 54.44 H new ATOM 134 N LYS A 11 -3.722 5.534 8.211 1.00 22.35 N ATOM 135 CA LYS A 11 -2.982 6.555 7.463 1.00 62.41 C ATOM 136 C LYS A 11 -1.691 5.990 6.877 1.00 14.10 C ATOM 137 O LYS A 11 -0.763 6.732 6.572 1.00 50.30 O ATOM 138 CB LYS A 11 -2.776 7.824 8.310 1.00 33.44 C ATOM 139 CG LYS A 11 -4.096 8.523 8.681 1.00 12.54 C ATOM 140 CD LYS A 11 -4.803 9.174 7.479 1.00 52.44 C ATOM 141 CE LYS A 11 -6.210 9.676 7.837 1.00 50.33 C ATOM 142 NZ LYS A 11 -6.265 11.128 8.090 1.00 62.10 N ATOM 0 H LYS A 11 -3.166 5.085 8.938 1.00 22.35 H new ATOM 0 HA LYS A 11 -3.583 6.862 6.607 1.00 62.41 H new ATOM 0 HB2 LYS A 11 -2.242 7.561 9.223 1.00 33.44 H new ATOM 0 HB3 LYS A 11 -2.144 8.522 7.760 1.00 33.44 H new ATOM 0 HG2 LYS A 11 -4.767 7.796 9.138 1.00 12.54 H new ATOM 0 HG3 LYS A 11 -3.895 9.287 9.432 1.00 12.54 H new ATOM 0 HD2 LYS A 11 -4.203 10.008 7.115 1.00 52.44 H new ATOM 0 HD3 LYS A 11 -4.873 8.452 6.665 1.00 52.44 H new ATOM 0 HE2 LYS A 11 -6.894 9.430 7.025 1.00 50.33 H new ATOM 0 HE3 LYS A 11 -6.563 9.146 8.722 1.00 50.33 H new ATOM 0 HZ1 LYS A 11 -7.240 11.403 8.326 1.00 62.10 H new ATOM 0 HZ2 LYS A 11 -5.637 11.366 8.884 1.00 62.10 H new ATOM 0 HZ3 LYS A 11 -5.957 11.641 7.239 1.00 62.10 H new ATOM 156 N GLU A 12 -1.617 4.678 6.700 1.00 64.43 N ATOM 157 CA GLU A 12 -0.536 3.994 6.015 1.00 2.25 C ATOM 158 C GLU A 12 -1.100 2.630 5.625 1.00 15.12 C ATOM 159 O GLU A 12 -1.761 2.002 6.450 1.00 1.40 O ATOM 160 CB GLU A 12 0.652 3.888 6.981 1.00 45.40 C ATOM 161 CG GLU A 12 1.946 3.332 6.378 1.00 32.53 C ATOM 162 CD GLU A 12 3.090 3.497 7.380 1.00 2.21 C ATOM 163 OE1 GLU A 12 2.932 3.070 8.551 1.00 32.31 O ATOM 164 OE2 GLU A 12 4.149 4.068 7.038 1.00 72.32 O ATOM 0 H GLU A 12 -2.336 4.040 7.043 1.00 64.43 H new ATOM 0 HA GLU A 12 -0.178 4.511 5.125 1.00 2.25 H new ATOM 0 HB2 GLU A 12 0.857 4.879 7.387 1.00 45.40 H new ATOM 0 HB3 GLU A 12 0.361 3.255 7.819 1.00 45.40 H new ATOM 0 HG2 GLU A 12 1.819 2.279 6.126 1.00 32.53 H new ATOM 0 HG3 GLU A 12 2.182 3.856 5.452 1.00 32.53 H new ATOM 171 N ILE A 13 -0.899 2.183 4.390 1.00 44.12 N ATOM 172 CA ILE A 13 -1.257 0.828 3.951 1.00 12.30 C ATOM 173 C ILE A 13 0.024 0.003 3.809 1.00 63.10 C ATOM 174 O ILE A 13 1.118 0.572 3.914 1.00 63.23 O ATOM 175 CB ILE A 13 -2.065 0.880 2.642 1.00 41.10 C ATOM 176 CG1 ILE A 13 -1.277 1.614 1.538 1.00 63.41 C ATOM 177 CG2 ILE A 13 -3.437 1.526 2.880 1.00 52.21 C ATOM 178 CD1 ILE A 13 -1.560 1.039 0.158 1.00 70.02 C ATOM 0 H ILE A 13 -0.479 2.752 3.655 1.00 44.12 H new ATOM 0 HA ILE A 13 -1.896 0.348 4.692 1.00 12.30 H new ATOM 0 HB ILE A 13 -2.233 -0.141 2.299 1.00 41.10 H new ATOM 0 HG12 ILE A 13 -1.537 2.673 1.550 1.00 63.41 H new ATOM 0 HG13 ILE A 13 -0.210 1.545 1.748 1.00 63.41 H new ATOM 0 HG21 ILE A 13 -3.993 1.554 1.943 1.00 52.21 H new ATOM 0 HG22 ILE A 13 -3.992 0.942 3.614 1.00 52.21 H new ATOM 0 HG23 ILE A 13 -3.301 2.542 3.252 1.00 52.21 H new ATOM 0 HD11 ILE A 13 -0.984 1.586 -0.589 1.00 70.02 H new ATOM 0 HD12 ILE A 13 -1.276 -0.013 0.137 1.00 70.02 H new ATOM 0 HD13 ILE A 13 -2.623 1.132 -0.064 1.00 70.02 H new ATOM 190 N ILE A 14 -0.073 -1.314 3.579 1.00 33.31 N ATOM 191 CA ILE A 14 1.111 -2.172 3.552 1.00 0.12 C ATOM 192 C ILE A 14 0.951 -3.190 2.424 1.00 12.24 C ATOM 193 O ILE A 14 0.141 -4.109 2.494 1.00 22.44 O ATOM 194 CB ILE A 14 1.404 -2.804 4.942 1.00 14.42 C ATOM 195 CG1 ILE A 14 1.504 -1.724 6.054 1.00 1.35 C ATOM 196 CG2 ILE A 14 2.722 -3.602 4.870 1.00 2.51 C ATOM 197 CD1 ILE A 14 1.765 -2.242 7.470 1.00 24.12 C ATOM 0 H ILE A 14 -0.953 -1.801 3.411 1.00 33.31 H new ATOM 0 HA ILE A 14 1.999 -1.577 3.339 1.00 0.12 H new ATOM 0 HB ILE A 14 0.576 -3.466 5.197 1.00 14.42 H new ATOM 0 HG12 ILE A 14 2.302 -1.031 5.789 1.00 1.35 H new ATOM 0 HG13 ILE A 14 0.576 -1.153 6.063 1.00 1.35 H new ATOM 0 HG21 ILE A 14 2.931 -4.047 5.843 1.00 2.51 H new ATOM 0 HG22 ILE A 14 2.630 -4.390 4.123 1.00 2.51 H new ATOM 0 HG23 ILE A 14 3.537 -2.934 4.594 1.00 2.51 H new ATOM 0 HD11 ILE A 14 1.815 -1.401 8.162 1.00 24.12 H new ATOM 0 HD12 ILE A 14 0.956 -2.909 7.768 1.00 24.12 H new ATOM 0 HD13 ILE A 14 2.710 -2.785 7.490 1.00 24.12 H new ATOM 209 N ILE A 15 1.656 -2.987 1.318 1.00 61.54 N ATOM 210 CA ILE A 15 1.679 -3.904 0.186 1.00 25.34 C ATOM 211 C ILE A 15 2.466 -5.130 0.659 1.00 20.53 C ATOM 212 O ILE A 15 3.670 -5.019 0.930 1.00 15.13 O ATOM 213 CB ILE A 15 2.361 -3.241 -1.030 1.00 62.44 C ATOM 214 CG1 ILE A 15 1.933 -1.788 -1.302 1.00 12.33 C ATOM 215 CG2 ILE A 15 2.195 -4.117 -2.286 1.00 24.24 C ATOM 216 CD1 ILE A 15 0.485 -1.626 -1.744 1.00 61.52 C ATOM 0 H ILE A 15 2.240 -2.162 1.180 1.00 61.54 H new ATOM 0 HA ILE A 15 0.674 -4.180 -0.133 1.00 25.34 H new ATOM 0 HB ILE A 15 3.417 -3.172 -0.769 1.00 62.44 H new ATOM 0 HG12 ILE A 15 2.091 -1.201 -0.397 1.00 12.33 H new ATOM 0 HG13 ILE A 15 2.583 -1.369 -2.071 1.00 12.33 H new ATOM 0 HG21 ILE A 15 2.682 -3.634 -3.133 1.00 24.24 H new ATOM 0 HG22 ILE A 15 2.651 -5.092 -2.113 1.00 24.24 H new ATOM 0 HG23 ILE A 15 1.134 -4.246 -2.502 1.00 24.24 H new ATOM 0 HD11 ILE A 15 0.272 -0.570 -1.913 1.00 61.52 H new ATOM 0 HD12 ILE A 15 0.322 -2.181 -2.668 1.00 61.52 H new ATOM 0 HD13 ILE A 15 -0.177 -2.010 -0.968 1.00 61.52 H new ATOM 228 N GLN A 16 1.826 -6.291 0.806 1.00 2.34 N ATOM 229 CA GLN A 16 2.558 -7.511 1.103 1.00 50.15 C ATOM 230 C GLN A 16 3.332 -7.937 -0.150 1.00 23.25 C ATOM 231 O GLN A 16 2.933 -7.648 -1.273 1.00 63.35 O ATOM 232 CB GLN A 16 1.608 -8.606 1.626 1.00 70.54 C ATOM 233 CG GLN A 16 2.306 -9.481 2.688 1.00 41.33 C ATOM 234 CD GLN A 16 1.477 -10.644 3.228 1.00 35.35 C ATOM 235 OE1 GLN A 16 0.724 -11.276 2.499 1.00 44.34 O ATOM 236 NE2 GLN A 16 1.652 -10.994 4.495 1.00 11.30 N ATOM 0 H GLN A 16 0.816 -6.407 0.725 1.00 2.34 H new ATOM 0 HA GLN A 16 3.279 -7.337 1.902 1.00 50.15 H new ATOM 0 HB2 GLN A 16 0.718 -8.146 2.056 1.00 70.54 H new ATOM 0 HB3 GLN A 16 1.275 -9.230 0.797 1.00 70.54 H new ATOM 0 HG2 GLN A 16 3.224 -9.881 2.258 1.00 41.33 H new ATOM 0 HG3 GLN A 16 2.596 -8.845 3.524 1.00 41.33 H new ATOM 0 HE21 GLN A 16 2.283 -10.457 5.090 1.00 11.30 H new ATOM 0 HE22 GLN A 16 1.156 -11.800 4.875 1.00 11.30 H new ATOM 245 N GLY A 17 4.450 -8.647 0.027 1.00 62.12 N ATOM 246 CA GLY A 17 5.209 -9.215 -1.092 1.00 23.42 C ATOM 247 C GLY A 17 4.813 -10.661 -1.376 1.00 72.24 C ATOM 248 O GLY A 17 5.452 -11.321 -2.201 1.00 14.23 O ATOM 0 H GLY A 17 4.853 -8.844 0.943 1.00 62.12 H new ATOM 0 HA2 GLY A 17 5.044 -8.612 -1.985 1.00 23.42 H new ATOM 0 HA3 GLY A 17 6.275 -9.168 -0.868 1.00 23.42 H new ATOM 252 N LEU A 18 3.814 -11.181 -0.665 1.00 75.41 N ATOM 253 CA LEU A 18 3.197 -12.462 -0.945 1.00 4.52 C ATOM 254 C LEU A 18 2.098 -12.231 -1.967 1.00 73.44 C ATOM 255 O LEU A 18 1.400 -11.214 -1.914 1.00 72.35 O ATOM 256 CB LEU A 18 2.623 -13.039 0.361 1.00 45.32 C ATOM 257 CG LEU A 18 3.386 -14.306 0.774 1.00 25.44 C ATOM 258 CD1 LEU A 18 4.845 -13.985 1.145 1.00 14.44 C ATOM 259 CD2 LEU A 18 2.692 -14.901 1.992 1.00 22.00 C ATOM 0 H LEU A 18 3.406 -10.706 0.140 1.00 75.41 H new ATOM 0 HA LEU A 18 3.920 -13.174 -1.342 1.00 4.52 H new ATOM 0 HB2 LEU A 18 2.689 -12.294 1.154 1.00 45.32 H new ATOM 0 HB3 LEU A 18 1.566 -13.271 0.229 1.00 45.32 H new ATOM 0 HG LEU A 18 3.391 -15.004 -0.064 1.00 25.44 H new ATOM 0 HD11 LEU A 18 5.358 -14.903 1.433 1.00 14.44 H new ATOM 0 HD12 LEU A 18 5.350 -13.541 0.287 1.00 14.44 H new ATOM 0 HD13 LEU A 18 4.862 -13.283 1.979 1.00 14.44 H new ATOM 0 HD21 LEU A 18 3.217 -15.804 2.305 1.00 22.00 H new ATOM 0 HD22 LEU A 18 2.700 -14.176 2.806 1.00 22.00 H new ATOM 0 HD23 LEU A 18 1.662 -15.150 1.738 1.00 22.00 H new ATOM 271 N THR A 19 1.954 -13.170 -2.893 1.00 65.51 N ATOM 272 CA THR A 19 0.823 -13.205 -3.790 1.00 54.30 C ATOM 273 C THR A 19 -0.392 -13.748 -3.023 1.00 41.14 C ATOM 274 O THR A 19 -0.252 -14.348 -1.949 1.00 0.10 O ATOM 275 CB THR A 19 1.167 -14.032 -5.046 1.00 62.23 C ATOM 276 OG1 THR A 19 1.280 -15.419 -4.780 1.00 10.34 O ATOM 277 CG2 THR A 19 2.487 -13.606 -5.705 1.00 53.31 C ATOM 0 H THR A 19 2.623 -13.926 -3.038 1.00 65.51 H new ATOM 0 HA THR A 19 0.574 -12.205 -4.144 1.00 54.30 H new ATOM 0 HB THR A 19 0.329 -13.838 -5.716 1.00 62.23 H new ATOM 0 HG1 THR A 19 2.029 -15.575 -4.168 1.00 10.34 H new ATOM 0 HG21 THR A 19 2.672 -14.226 -6.583 1.00 53.31 H new ATOM 0 HG22 THR A 19 2.423 -12.560 -6.006 1.00 53.31 H new ATOM 0 HG23 THR A 19 3.305 -13.729 -4.995 1.00 53.31 H new ATOM 285 N ARG A 20 -1.586 -13.638 -3.606 1.00 54.44 N ATOM 286 CA ARG A 20 -2.811 -14.263 -3.097 1.00 4.12 C ATOM 287 C ARG A 20 -2.748 -15.787 -3.028 1.00 43.03 C ATOM 288 O ARG A 20 -3.565 -16.426 -2.364 1.00 2.51 O ATOM 289 CB ARG A 20 -3.999 -13.831 -3.950 1.00 73.42 C ATOM 290 CG ARG A 20 -3.997 -14.293 -5.418 1.00 35.35 C ATOM 291 CD ARG A 20 -5.076 -13.550 -6.230 1.00 61.33 C ATOM 292 NE ARG A 20 -6.249 -14.378 -6.549 1.00 52.44 N ATOM 293 CZ ARG A 20 -7.270 -14.682 -5.744 1.00 22.41 C ATOM 294 NH1 ARG A 20 -7.367 -14.160 -4.529 1.00 72.41 N ATOM 295 NH2 ARG A 20 -8.197 -15.538 -6.157 1.00 64.35 N ATOM 0 H ARG A 20 -1.733 -13.102 -4.461 1.00 54.44 H new ATOM 0 HA ARG A 20 -2.927 -13.919 -2.069 1.00 4.12 H new ATOM 0 HB2 ARG A 20 -4.910 -14.200 -3.478 1.00 73.42 H new ATOM 0 HB3 ARG A 20 -4.051 -12.742 -3.935 1.00 73.42 H new ATOM 0 HG2 ARG A 20 -3.016 -14.113 -5.859 1.00 35.35 H new ATOM 0 HG3 ARG A 20 -4.176 -15.367 -5.466 1.00 35.35 H new ATOM 0 HD2 ARG A 20 -5.402 -12.674 -5.669 1.00 61.33 H new ATOM 0 HD3 ARG A 20 -4.635 -13.188 -7.158 1.00 61.33 H new ATOM 0 HE ARG A 20 -6.287 -14.764 -7.492 1.00 52.44 H new ATOM 0 HH11 ARG A 20 -6.653 -13.513 -4.193 1.00 72.41 H new ATOM 0 HH12 ARG A 20 -8.155 -14.405 -3.930 1.00 72.41 H new ATOM 0 HH21 ARG A 20 -8.126 -15.959 -7.084 1.00 64.35 H new ATOM 0 HH22 ARG A 20 -8.980 -15.775 -5.548 1.00 64.35 H new ATOM 309 N ALA A 21 -1.793 -16.383 -3.737 1.00 55.40 N ATOM 310 CA ALA A 21 -1.495 -17.804 -3.657 1.00 23.44 C ATOM 311 C ALA A 21 -0.740 -18.166 -2.374 1.00 5.32 C ATOM 312 O ALA A 21 -0.609 -19.350 -2.073 1.00 13.30 O ATOM 313 CB ALA A 21 -0.681 -18.240 -4.879 1.00 32.43 C ATOM 0 H ALA A 21 -1.196 -15.880 -4.394 1.00 55.40 H new ATOM 0 HA ALA A 21 -2.447 -18.334 -3.639 1.00 23.44 H new ATOM 0 HB1 ALA A 21 -0.463 -19.306 -4.810 1.00 32.43 H new ATOM 0 HB2 ALA A 21 -1.253 -18.045 -5.786 1.00 32.43 H new ATOM 0 HB3 ALA A 21 0.253 -17.680 -4.912 1.00 32.43 H new ATOM 319 N GLY A 22 -0.211 -17.193 -1.627 1.00 23.35 N ATOM 320 CA GLY A 22 0.593 -17.441 -0.436 1.00 14.42 C ATOM 321 C GLY A 22 2.028 -17.859 -0.763 1.00 14.44 C ATOM 322 O GLY A 22 2.649 -18.587 0.013 1.00 44.22 O ATOM 0 H GLY A 22 -0.332 -16.202 -1.838 1.00 23.35 H new ATOM 0 HA2 GLY A 22 0.613 -16.540 0.177 1.00 14.42 H new ATOM 0 HA3 GLY A 22 0.119 -18.221 0.160 1.00 14.42 H new ATOM 326 N LYS A 23 2.538 -17.453 -1.930 1.00 13.02 N ATOM 327 CA LYS A 23 3.914 -17.640 -2.373 1.00 64.22 C ATOM 328 C LYS A 23 4.557 -16.264 -2.526 1.00 20.34 C ATOM 329 O LYS A 23 3.829 -15.299 -2.773 1.00 74.21 O ATOM 330 CB LYS A 23 3.925 -18.401 -3.711 1.00 50.33 C ATOM 331 CG LYS A 23 3.810 -19.920 -3.502 1.00 23.33 C ATOM 332 CD LYS A 23 2.396 -20.463 -3.228 1.00 74.44 C ATOM 333 CE LYS A 23 2.333 -21.221 -1.889 1.00 14.51 C ATOM 334 NZ LYS A 23 0.946 -21.566 -1.515 1.00 13.21 N ATOM 0 H LYS A 23 1.971 -16.962 -2.621 1.00 13.02 H new ATOM 0 HA LYS A 23 4.477 -18.225 -1.646 1.00 64.22 H new ATOM 0 HB2 LYS A 23 3.099 -18.056 -4.333 1.00 50.33 H new ATOM 0 HB3 LYS A 23 4.845 -18.176 -4.250 1.00 50.33 H new ATOM 0 HG2 LYS A 23 4.203 -20.418 -4.388 1.00 23.33 H new ATOM 0 HG3 LYS A 23 4.452 -20.201 -2.667 1.00 23.33 H new ATOM 0 HD2 LYS A 23 1.684 -19.637 -3.214 1.00 74.44 H new ATOM 0 HD3 LYS A 23 2.097 -21.128 -4.038 1.00 74.44 H new ATOM 0 HE2 LYS A 23 2.927 -22.132 -1.960 1.00 14.51 H new ATOM 0 HE3 LYS A 23 2.779 -20.610 -1.105 1.00 14.51 H new ATOM 0 HZ1 LYS A 23 0.906 -21.791 -0.500 1.00 13.21 H new ATOM 0 HZ2 LYS A 23 0.321 -20.759 -1.716 1.00 13.21 H new ATOM 0 HZ3 LYS A 23 0.633 -22.391 -2.065 1.00 13.21 H new ATOM 348 N PRO A 24 5.889 -16.128 -2.446 1.00 44.53 N ATOM 349 CA PRO A 24 6.522 -14.835 -2.631 1.00 0.23 C ATOM 350 C PRO A 24 6.486 -14.432 -4.110 1.00 61.14 C ATOM 351 O PRO A 24 6.610 -15.257 -5.024 1.00 71.03 O ATOM 352 CB PRO A 24 7.941 -14.998 -2.086 1.00 61.24 C ATOM 353 CG PRO A 24 8.243 -16.477 -2.333 1.00 65.41 C ATOM 354 CD PRO A 24 6.884 -17.161 -2.188 1.00 20.01 C ATOM 0 HA PRO A 24 6.009 -14.030 -2.105 1.00 0.23 H new ATOM 0 HB2 PRO A 24 8.648 -14.351 -2.605 1.00 61.24 H new ATOM 0 HB3 PRO A 24 7.997 -14.747 -1.027 1.00 61.24 H new ATOM 0 HG2 PRO A 24 8.667 -16.638 -3.324 1.00 65.41 H new ATOM 0 HG3 PRO A 24 8.963 -16.863 -1.612 1.00 65.41 H new ATOM 0 HD2 PRO A 24 6.784 -17.985 -2.894 1.00 20.01 H new ATOM 0 HD3 PRO A 24 6.762 -17.580 -1.189 1.00 20.01 H new ATOM 362 N PHE A 25 6.321 -13.136 -4.346 1.00 44.35 N ATOM 363 CA PHE A 25 6.542 -12.482 -5.629 1.00 11.22 C ATOM 364 C PHE A 25 8.052 -12.258 -5.842 1.00 62.23 C ATOM 365 O PHE A 25 8.816 -12.243 -4.867 1.00 63.13 O ATOM 366 CB PHE A 25 5.754 -11.167 -5.572 1.00 34.53 C ATOM 367 CG PHE A 25 5.690 -10.367 -6.853 1.00 43.14 C ATOM 368 CD1 PHE A 25 4.966 -10.862 -7.955 1.00 54.52 C ATOM 369 CD2 PHE A 25 6.318 -9.108 -6.930 1.00 72.01 C ATOM 370 CE1 PHE A 25 4.883 -10.107 -9.137 1.00 30.23 C ATOM 371 CE2 PHE A 25 6.240 -8.364 -8.121 1.00 53.54 C ATOM 372 CZ PHE A 25 5.516 -8.857 -9.218 1.00 63.42 C ATOM 0 H PHE A 25 6.018 -12.487 -3.620 1.00 44.35 H new ATOM 0 HA PHE A 25 6.202 -13.082 -6.473 1.00 11.22 H new ATOM 0 HB2 PHE A 25 4.735 -11.393 -5.259 1.00 34.53 H new ATOM 0 HB3 PHE A 25 6.194 -10.538 -4.798 1.00 34.53 H new ATOM 0 HD1 PHE A 25 4.475 -11.822 -7.891 1.00 54.52 H new ATOM 0 HD2 PHE A 25 6.856 -8.717 -6.079 1.00 72.01 H new ATOM 0 HE1 PHE A 25 4.332 -10.489 -9.984 1.00 30.23 H new ATOM 0 HE2 PHE A 25 6.739 -7.409 -8.192 1.00 53.54 H new ATOM 0 HZ PHE A 25 5.446 -8.274 -10.125 1.00 63.42 H new ATOM 382 N ARG A 26 8.475 -12.040 -7.092 1.00 34.14 N ATOM 383 CA ARG A 26 9.808 -11.580 -7.500 1.00 63.14 C ATOM 384 C ARG A 26 9.601 -10.286 -8.297 1.00 42.50 C ATOM 385 O ARG A 26 8.511 -10.116 -8.836 1.00 33.53 O ATOM 386 CB ARG A 26 10.505 -12.620 -8.405 1.00 11.05 C ATOM 387 CG ARG A 26 11.245 -13.756 -7.686 1.00 61.42 C ATOM 388 CD ARG A 26 12.719 -13.418 -7.427 1.00 73.01 C ATOM 389 NE ARG A 26 13.398 -14.489 -6.682 1.00 35.31 N ATOM 390 CZ ARG A 26 14.170 -15.477 -7.157 1.00 4.22 C ATOM 391 NH1 ARG A 26 14.466 -15.602 -8.446 1.00 1.00 N ATOM 392 NH2 ARG A 26 14.658 -16.351 -6.291 1.00 11.34 N ATOM 0 H ARG A 26 7.861 -12.188 -7.893 1.00 34.14 H new ATOM 0 HA ARG A 26 10.436 -11.428 -6.622 1.00 63.14 H new ATOM 0 HB2 ARG A 26 9.754 -13.061 -9.061 1.00 11.05 H new ATOM 0 HB3 ARG A 26 11.217 -12.097 -9.043 1.00 11.05 H new ATOM 0 HG2 ARG A 26 10.750 -13.966 -6.738 1.00 61.42 H new ATOM 0 HG3 ARG A 26 11.183 -14.664 -8.286 1.00 61.42 H new ATOM 0 HD2 ARG A 26 13.228 -13.256 -8.377 1.00 73.01 H new ATOM 0 HD3 ARG A 26 12.786 -12.486 -6.867 1.00 73.01 H new ATOM 0 HE ARG A 26 13.264 -14.479 -5.671 1.00 35.31 H new ATOM 0 HH11 ARG A 26 14.101 -14.929 -9.121 1.00 1.00 H new ATOM 0 HH12 ARG A 26 15.058 -16.371 -8.761 1.00 1.00 H new ATOM 0 HH21 ARG A 26 14.443 -16.260 -5.298 1.00 11.34 H new ATOM 0 HH22 ARG A 26 15.249 -17.116 -6.617 1.00 11.34 H new ATOM 406 N PRO A 27 10.606 -9.411 -8.467 1.00 34.52 N ATOM 407 CA PRO A 27 11.947 -9.568 -7.937 1.00 32.32 C ATOM 408 C PRO A 27 11.946 -9.479 -6.416 1.00 55.23 C ATOM 409 O PRO A 27 11.108 -8.809 -5.824 1.00 53.42 O ATOM 410 CB PRO A 27 12.761 -8.420 -8.534 1.00 15.00 C ATOM 411 CG PRO A 27 11.728 -7.360 -8.910 1.00 20.31 C ATOM 412 CD PRO A 27 10.493 -8.190 -9.249 1.00 5.00 C ATOM 0 HA PRO A 27 12.364 -10.542 -8.194 1.00 32.32 H new ATOM 0 HB2 PRO A 27 13.482 -8.031 -7.815 1.00 15.00 H new ATOM 0 HB3 PRO A 27 13.326 -8.748 -9.406 1.00 15.00 H new ATOM 0 HG2 PRO A 27 11.538 -6.671 -8.087 1.00 20.31 H new ATOM 0 HG3 PRO A 27 12.056 -6.760 -9.758 1.00 20.31 H new ATOM 0 HD2 PRO A 27 9.579 -7.650 -9.000 1.00 5.00 H new ATOM 0 HD3 PRO A 27 10.452 -8.412 -10.315 1.00 5.00 H new ATOM 420 N SER A 28 12.897 -10.124 -5.756 1.00 1.43 N ATOM 421 CA SER A 28 13.056 -9.997 -4.314 1.00 23.55 C ATOM 422 C SER A 28 13.447 -8.562 -3.948 1.00 5.13 C ATOM 423 O SER A 28 13.059 -8.083 -2.880 1.00 53.43 O ATOM 424 CB SER A 28 14.065 -11.047 -3.862 1.00 60.10 C ATOM 425 OG SER A 28 13.611 -12.348 -4.229 1.00 23.23 O ATOM 0 H SER A 28 13.574 -10.744 -6.199 1.00 1.43 H new ATOM 0 HA SER A 28 12.120 -10.184 -3.787 1.00 23.55 H new ATOM 0 HB2 SER A 28 15.036 -10.850 -4.316 1.00 60.10 H new ATOM 0 HB3 SER A 28 14.201 -10.991 -2.782 1.00 60.10 H new ATOM 0 HG SER A 28 14.265 -13.017 -3.937 1.00 23.23 H new ATOM 431 N ASP A 29 14.093 -7.834 -4.859 1.00 72.23 N ATOM 432 CA ASP A 29 14.451 -6.426 -4.706 1.00 35.20 C ATOM 433 C ASP A 29 13.280 -5.473 -5.049 1.00 34.31 C ATOM 434 O ASP A 29 13.500 -4.263 -5.125 1.00 10.21 O ATOM 435 CB ASP A 29 15.704 -6.104 -5.541 1.00 73.13 C ATOM 436 CG ASP A 29 16.910 -7.019 -5.289 1.00 74.13 C ATOM 437 OD1 ASP A 29 17.275 -7.249 -4.115 1.00 53.43 O ATOM 438 OD2 ASP A 29 17.487 -7.545 -6.273 1.00 74.22 O ATOM 0 H ASP A 29 14.391 -8.223 -5.754 1.00 72.23 H new ATOM 0 HA ASP A 29 14.678 -6.257 -3.653 1.00 35.20 H new ATOM 0 HB2 ASP A 29 15.441 -6.159 -6.597 1.00 73.13 H new ATOM 0 HB3 ASP A 29 16.001 -5.075 -5.339 1.00 73.13 H new ATOM 443 N TRP A 30 12.041 -5.964 -5.269 1.00 3.33 N ATOM 444 CA TRP A 30 10.886 -5.120 -5.643 1.00 71.21 C ATOM 445 C TRP A 30 10.631 -3.995 -4.634 1.00 0.12 C ATOM 446 O TRP A 30 10.230 -2.893 -5.012 1.00 3.25 O ATOM 447 CB TRP A 30 9.599 -5.946 -5.839 1.00 74.41 C ATOM 448 CG TRP A 30 8.821 -6.389 -4.626 1.00 75.51 C ATOM 449 CD1 TRP A 30 8.775 -7.633 -4.100 1.00 33.43 C ATOM 450 CD2 TRP A 30 7.827 -5.626 -3.877 1.00 34.45 C ATOM 451 NE1 TRP A 30 7.933 -7.661 -3.008 1.00 33.54 N ATOM 452 CE2 TRP A 30 7.274 -6.460 -2.856 1.00 55.43 C ATOM 453 CE3 TRP A 30 7.296 -4.324 -4.004 1.00 61.30 C ATOM 454 CZ2 TRP A 30 6.289 -5.995 -1.970 1.00 5.13 C ATOM 455 CZ3 TRP A 30 6.269 -3.873 -3.158 1.00 43.55 C ATOM 456 CH2 TRP A 30 5.784 -4.701 -2.135 1.00 0.31 C ATOM 0 H TRP A 30 11.814 -6.955 -5.192 1.00 3.33 H new ATOM 0 HA TRP A 30 11.154 -4.667 -6.597 1.00 71.21 H new ATOM 0 HB2 TRP A 30 8.926 -5.362 -6.466 1.00 74.41 H new ATOM 0 HB3 TRP A 30 9.865 -6.840 -6.403 1.00 74.41 H new ATOM 0 HD1 TRP A 30 9.320 -8.484 -4.481 1.00 33.43 H new ATOM 0 HE1 TRP A 30 7.814 -8.466 -2.393 1.00 33.54 H new ATOM 0 HE3 TRP A 30 7.686 -3.664 -4.764 1.00 61.30 H new ATOM 0 HZ2 TRP A 30 5.927 -6.627 -1.173 1.00 5.13 H new ATOM 0 HZ3 TRP A 30 5.852 -2.886 -3.296 1.00 43.55 H new ATOM 0 HH2 TRP A 30 5.015 -4.337 -1.470 1.00 0.31 H new ATOM 467 N VAL A 31 10.881 -4.258 -3.350 1.00 0.43 N ATOM 468 CA VAL A 31 10.604 -3.312 -2.277 1.00 34.01 C ATOM 469 C VAL A 31 11.537 -2.097 -2.329 1.00 34.53 C ATOM 470 O VAL A 31 11.184 -1.043 -1.806 1.00 23.50 O ATOM 471 CB VAL A 31 10.625 -4.068 -0.934 1.00 62.40 C ATOM 472 CG1 VAL A 31 10.583 -3.150 0.283 1.00 13.20 C ATOM 473 CG2 VAL A 31 9.403 -4.995 -0.875 1.00 15.31 C ATOM 0 H VAL A 31 11.283 -5.138 -3.028 1.00 0.43 H new ATOM 0 HA VAL A 31 9.608 -2.887 -2.401 1.00 34.01 H new ATOM 0 HB VAL A 31 11.566 -4.617 -0.895 1.00 62.40 H new ATOM 0 HG11 VAL A 31 10.601 -3.751 1.192 1.00 13.20 H new ATOM 0 HG12 VAL A 31 11.448 -2.487 0.269 1.00 13.20 H new ATOM 0 HG13 VAL A 31 9.670 -2.555 0.259 1.00 13.20 H new ATOM 0 HG21 VAL A 31 9.403 -5.538 0.070 1.00 15.31 H new ATOM 0 HG22 VAL A 31 8.492 -4.402 -0.952 1.00 15.31 H new ATOM 0 HG23 VAL A 31 9.445 -5.705 -1.701 1.00 15.31 H new ATOM 483 N ASP A 32 12.677 -2.190 -3.009 1.00 52.51 N ATOM 484 CA ASP A 32 13.533 -1.031 -3.252 1.00 2.13 C ATOM 485 C ASP A 32 13.198 -0.367 -4.581 1.00 31.21 C ATOM 486 O ASP A 32 13.525 0.802 -4.787 1.00 0.53 O ATOM 487 CB ASP A 32 14.985 -1.497 -3.371 1.00 65.33 C ATOM 488 CG ASP A 32 15.739 -1.597 -2.052 1.00 4.13 C ATOM 489 OD1 ASP A 32 15.305 -1.064 -1.015 1.00 71.44 O ATOM 490 OD2 ASP A 32 16.843 -2.198 -2.079 1.00 65.52 O ATOM 0 H ASP A 32 13.031 -3.061 -3.404 1.00 52.51 H new ATOM 0 HA ASP A 32 13.382 -0.335 -2.427 1.00 2.13 H new ATOM 0 HB2 ASP A 32 14.999 -2.474 -3.855 1.00 65.33 H new ATOM 0 HB3 ASP A 32 15.519 -0.809 -4.026 1.00 65.33 H new ATOM 495 N ARG A 33 12.565 -1.086 -5.509 1.00 61.51 N ATOM 496 CA ARG A 33 12.197 -0.494 -6.790 1.00 72.14 C ATOM 497 C ARG A 33 11.177 0.598 -6.538 1.00 72.34 C ATOM 498 O ARG A 33 11.383 1.743 -6.922 1.00 42.53 O ATOM 499 CB ARG A 33 11.654 -1.533 -7.778 1.00 52.42 C ATOM 500 CG ARG A 33 12.762 -2.413 -8.355 1.00 34.22 C ATOM 501 CD ARG A 33 12.218 -3.260 -9.510 1.00 30.14 C ATOM 502 NE ARG A 33 13.321 -3.892 -10.243 1.00 33.11 N ATOM 503 CZ ARG A 33 14.009 -3.347 -11.253 1.00 23.31 C ATOM 504 NH1 ARG A 33 13.711 -2.149 -11.756 1.00 44.24 N ATOM 505 NH2 ARG A 33 15.020 -4.029 -11.768 1.00 62.43 N ATOM 0 H ARG A 33 12.301 -2.065 -5.398 1.00 61.51 H new ATOM 0 HA ARG A 33 13.091 -0.075 -7.252 1.00 72.14 H new ATOM 0 HB2 ARG A 33 10.918 -2.161 -7.275 1.00 52.42 H new ATOM 0 HB3 ARG A 33 11.136 -1.024 -8.591 1.00 52.42 H new ATOM 0 HG2 ARG A 33 13.585 -1.790 -8.707 1.00 34.22 H new ATOM 0 HG3 ARG A 33 13.164 -3.062 -7.577 1.00 34.22 H new ATOM 0 HD2 ARG A 33 11.544 -4.025 -9.123 1.00 30.14 H new ATOM 0 HD3 ARG A 33 11.635 -2.634 -10.186 1.00 30.14 H new ATOM 0 HE ARG A 33 13.588 -4.834 -9.956 1.00 33.11 H new ATOM 0 HH11 ARG A 33 12.934 -1.613 -11.370 1.00 44.24 H new ATOM 0 HH12 ARG A 33 14.260 -1.768 -12.527 1.00 44.24 H new ATOM 0 HH21 ARG A 33 15.258 -4.948 -11.394 1.00 62.43 H new ATOM 0 HH22 ARG A 33 15.560 -3.636 -12.539 1.00 62.43 H new ATOM 519 N MET A 34 10.100 0.240 -5.843 1.00 31.20 N ATOM 520 CA MET A 34 8.959 1.124 -5.631 1.00 31.34 C ATOM 521 C MET A 34 9.368 2.461 -5.007 1.00 51.34 C ATOM 522 O MET A 34 8.917 3.516 -5.455 1.00 20.44 O ATOM 523 CB MET A 34 7.921 0.389 -4.775 1.00 4.42 C ATOM 524 CG MET A 34 6.862 -0.255 -5.645 1.00 53.35 C ATOM 525 SD MET A 34 5.615 0.974 -6.086 1.00 73.23 S ATOM 526 CE MET A 34 4.973 0.193 -7.561 1.00 42.22 C ATOM 0 H MET A 34 9.995 -0.677 -5.409 1.00 31.20 H new ATOM 0 HA MET A 34 8.521 1.374 -6.597 1.00 31.34 H new ATOM 0 HB2 MET A 34 8.415 -0.373 -4.172 1.00 4.42 H new ATOM 0 HB3 MET A 34 7.453 1.089 -4.083 1.00 4.42 H new ATOM 0 HG2 MET A 34 7.317 -0.666 -6.546 1.00 53.35 H new ATOM 0 HG3 MET A 34 6.397 -1.086 -5.115 1.00 53.35 H new ATOM 0 HE1 MET A 34 5.097 0.864 -8.411 1.00 42.22 H new ATOM 0 HE2 MET A 34 5.516 -0.734 -7.747 1.00 42.22 H new ATOM 0 HE3 MET A 34 3.914 -0.027 -7.425 1.00 42.22 H new ATOM 536 N CYS A 35 10.257 2.439 -4.013 1.00 71.12 N ATOM 537 CA CYS A 35 10.669 3.645 -3.317 1.00 54.32 C ATOM 538 C CYS A 35 11.444 4.600 -4.232 1.00 4.02 C ATOM 539 O CYS A 35 11.413 5.806 -4.002 1.00 25.30 O ATOM 540 CB CYS A 35 11.432 3.277 -2.035 1.00 73.25 C ATOM 541 SG CYS A 35 13.018 2.461 -2.281 1.00 22.32 S ATOM 0 H CYS A 35 10.705 1.588 -3.674 1.00 71.12 H new ATOM 0 HA CYS A 35 9.779 4.199 -3.017 1.00 54.32 H new ATOM 0 HB2 CYS A 35 11.597 4.187 -1.458 1.00 73.25 H new ATOM 0 HB3 CYS A 35 10.799 2.627 -1.431 1.00 73.25 H new ATOM 0 HG CYS A 35 13.965 3.351 -2.305 1.00 22.32 H new ATOM 547 N SER A 36 12.116 4.067 -5.256 1.00 42.40 N ATOM 548 CA SER A 36 12.782 4.777 -6.345 1.00 30.00 C ATOM 549 C SER A 36 11.775 5.277 -7.388 1.00 41.10 C ATOM 550 O SER A 36 11.942 6.365 -7.941 1.00 73.21 O ATOM 551 CB SER A 36 13.789 3.820 -6.995 1.00 52.32 C ATOM 552 OG SER A 36 15.019 4.451 -7.285 1.00 15.15 O ATOM 0 H SER A 36 12.214 3.056 -5.350 1.00 42.40 H new ATOM 0 HA SER A 36 13.292 5.653 -5.944 1.00 30.00 H new ATOM 0 HB2 SER A 36 13.965 2.975 -6.330 1.00 52.32 H new ATOM 0 HB3 SER A 36 13.364 3.419 -7.915 1.00 52.32 H new ATOM 0 HG SER A 36 15.630 3.804 -7.696 1.00 15.15 H new ATOM 558 N THR A 37 10.733 4.500 -7.675 1.00 72.33 N ATOM 559 CA THR A 37 9.685 4.841 -8.635 1.00 4.04 C ATOM 560 C THR A 37 8.931 6.116 -8.224 1.00 25.33 C ATOM 561 O THR A 37 8.408 6.813 -9.094 1.00 51.43 O ATOM 562 CB THR A 37 8.770 3.618 -8.828 1.00 31.00 C ATOM 563 OG1 THR A 37 9.576 2.518 -9.208 1.00 61.51 O ATOM 564 CG2 THR A 37 7.731 3.839 -9.924 1.00 55.24 C ATOM 0 H THR A 37 10.590 3.591 -7.234 1.00 72.33 H new ATOM 0 HA THR A 37 10.130 5.081 -9.601 1.00 4.04 H new ATOM 0 HB THR A 37 8.244 3.441 -7.890 1.00 31.00 H new ATOM 0 HG1 THR A 37 10.045 2.169 -8.421 1.00 61.51 H new ATOM 0 HG21 THR A 37 7.110 2.948 -10.022 1.00 55.24 H new ATOM 0 HG22 THR A 37 7.104 4.692 -9.664 1.00 55.24 H new ATOM 0 HG23 THR A 37 8.236 4.035 -10.870 1.00 55.24 H new ATOM 572 N TYR A 38 8.939 6.466 -6.934 1.00 52.13 N ATOM 573 CA TYR A 38 8.347 7.686 -6.394 1.00 1.33 C ATOM 574 C TYR A 38 9.401 8.452 -5.590 1.00 25.23 C ATOM 575 O TYR A 38 9.146 8.905 -4.471 1.00 24.51 O ATOM 576 CB TYR A 38 7.093 7.323 -5.587 1.00 24.04 C ATOM 577 CG TYR A 38 5.996 6.724 -6.443 1.00 12.11 C ATOM 578 CD1 TYR A 38 5.137 7.582 -7.150 1.00 54.12 C ATOM 579 CD2 TYR A 38 5.872 5.328 -6.589 1.00 22.14 C ATOM 580 CE1 TYR A 38 4.161 7.053 -8.006 1.00 20.31 C ATOM 581 CE2 TYR A 38 4.900 4.791 -7.453 1.00 5.43 C ATOM 582 CZ TYR A 38 4.042 5.654 -8.170 1.00 53.32 C ATOM 583 OH TYR A 38 3.103 5.156 -9.016 1.00 63.03 O ATOM 0 H TYR A 38 9.373 5.886 -6.216 1.00 52.13 H new ATOM 0 HA TYR A 38 8.023 8.355 -7.191 1.00 1.33 H new ATOM 0 HB2 TYR A 38 7.363 6.615 -4.803 1.00 24.04 H new ATOM 0 HB3 TYR A 38 6.714 8.217 -5.092 1.00 24.04 H new ATOM 0 HD1 TYR A 38 5.229 8.652 -7.034 1.00 54.12 H new ATOM 0 HD2 TYR A 38 6.525 4.669 -6.036 1.00 22.14 H new ATOM 0 HE1 TYR A 38 3.498 7.716 -8.542 1.00 20.31 H new ATOM 0 HE2 TYR A 38 4.810 3.721 -7.568 1.00 5.43 H new ATOM 0 HH TYR A 38 2.222 5.199 -8.589 1.00 63.03 H new ATOM 593 N ALA A 39 10.609 8.563 -6.146 1.00 3.23 N ATOM 594 CA ALA A 39 11.722 9.315 -5.582 1.00 50.32 C ATOM 595 C ALA A 39 12.000 10.591 -6.382 1.00 74.41 C ATOM 596 O ALA A 39 11.296 10.924 -7.335 1.00 51.01 O ATOM 597 CB ALA A 39 12.958 8.419 -5.540 1.00 63.22 C ATOM 0 H ALA A 39 10.843 8.115 -7.032 1.00 3.23 H new ATOM 0 HA ALA A 39 11.462 9.625 -4.570 1.00 50.32 H new ATOM 0 HB1 ALA A 39 13.796 8.975 -5.119 1.00 63.22 H new ATOM 0 HB2 ALA A 39 12.754 7.546 -4.920 1.00 63.22 H new ATOM 0 HB3 ALA A 39 13.208 8.096 -6.551 1.00 63.22 H new ATOM 603 N SER A 40 13.045 11.305 -5.983 1.00 1.00 N ATOM 604 CA SER A 40 13.627 12.439 -6.684 1.00 14.32 C ATOM 605 C SER A 40 15.102 12.538 -6.293 1.00 53.33 C ATOM 606 O SER A 40 15.515 12.001 -5.261 1.00 43.33 O ATOM 607 CB SER A 40 12.837 13.702 -6.321 1.00 1.43 C ATOM 608 OG SER A 40 12.622 13.826 -4.919 1.00 43.45 O ATOM 0 H SER A 40 13.535 11.095 -5.113 1.00 1.00 H new ATOM 0 HA SER A 40 13.572 12.318 -7.766 1.00 14.32 H new ATOM 0 HB2 SER A 40 13.374 14.579 -6.682 1.00 1.43 H new ATOM 0 HB3 SER A 40 11.875 13.685 -6.833 1.00 1.43 H new ATOM 0 HG SER A 40 12.117 14.646 -4.737 1.00 43.45 H new ATOM 728 N ARG A 48 17.140 10.144 -3.937 1.00 21.45 N ATOM 729 CA ARG A 48 16.744 10.096 -2.536 1.00 65.13 C ATOM 730 C ARG A 48 15.318 9.591 -2.495 1.00 5.32 C ATOM 731 O ARG A 48 14.424 10.217 -3.073 1.00 1.21 O ATOM 732 CB ARG A 48 16.876 11.485 -1.873 1.00 31.21 C ATOM 733 CG ARG A 48 17.763 11.465 -0.623 1.00 42.42 C ATOM 734 CD ARG A 48 17.162 10.722 0.584 1.00 44.35 C ATOM 735 NE ARG A 48 18.128 10.685 1.698 1.00 42.13 N ATOM 736 CZ ARG A 48 17.932 10.212 2.937 1.00 25.41 C ATOM 737 NH1 ARG A 48 16.749 9.747 3.331 1.00 61.24 N ATOM 738 NH2 ARG A 48 18.941 10.212 3.800 1.00 32.54 N ATOM 0 HA ARG A 48 17.396 9.429 -1.972 1.00 65.13 H new ATOM 0 HB2 ARG A 48 17.289 12.189 -2.595 1.00 31.21 H new ATOM 0 HB3 ARG A 48 15.885 11.850 -1.604 1.00 31.21 H new ATOM 0 HG2 ARG A 48 18.716 11.002 -0.879 1.00 42.42 H new ATOM 0 HG3 ARG A 48 17.976 12.493 -0.330 1.00 42.42 H new ATOM 0 HD2 ARG A 48 16.246 11.218 0.905 1.00 44.35 H new ATOM 0 HD3 ARG A 48 16.891 9.706 0.296 1.00 44.35 H new ATOM 0 HE ARG A 48 19.055 11.064 1.503 1.00 42.13 H new ATOM 0 HH11 ARG A 48 15.961 9.744 2.684 1.00 61.24 H new ATOM 0 HH12 ARG A 48 16.630 9.393 4.280 1.00 61.24 H new ATOM 0 HH21 ARG A 48 19.854 10.569 3.518 1.00 32.54 H new ATOM 0 HH22 ARG A 48 18.804 9.855 4.745 1.00 32.54 H new ATOM 752 N TYR A 49 15.095 8.458 -1.834 1.00 14.11 N ATOM 753 CA TYR A 49 13.746 7.964 -1.596 1.00 62.20 C ATOM 754 C TYR A 49 12.940 9.027 -0.859 1.00 63.24 C ATOM 755 O TYR A 49 13.489 9.872 -0.143 1.00 40.13 O ATOM 756 CB TYR A 49 13.779 6.645 -0.808 1.00 30.05 C ATOM 757 CG TYR A 49 14.614 5.551 -1.447 1.00 11.30 C ATOM 758 CD1 TYR A 49 14.539 5.316 -2.829 1.00 73.33 C ATOM 759 CD2 TYR A 49 15.501 4.790 -0.670 1.00 62.32 C ATOM 760 CE1 TYR A 49 15.382 4.380 -3.450 1.00 31.23 C ATOM 761 CE2 TYR A 49 16.322 3.818 -1.269 1.00 33.51 C ATOM 762 CZ TYR A 49 16.258 3.603 -2.661 1.00 64.44 C ATOM 763 OH TYR A 49 17.080 2.684 -3.235 1.00 54.33 O ATOM 0 H TYR A 49 15.833 7.866 -1.454 1.00 14.11 H new ATOM 0 HA TYR A 49 13.265 7.759 -2.552 1.00 62.20 H new ATOM 0 HB2 TYR A 49 14.166 6.843 0.191 1.00 30.05 H new ATOM 0 HB3 TYR A 49 12.758 6.282 -0.688 1.00 30.05 H new ATOM 0 HD1 TYR A 49 13.822 5.863 -3.424 1.00 73.33 H new ATOM 0 HD2 TYR A 49 15.553 4.952 0.396 1.00 62.32 H new ATOM 0 HE1 TYR A 49 15.360 4.256 -4.523 1.00 31.23 H new ATOM 0 HE2 TYR A 49 17.001 3.237 -0.663 1.00 33.51 H new ATOM 0 HH TYR A 49 17.613 2.243 -2.541 1.00 54.33 H new ATOM 773 N SER A 50 11.632 8.984 -1.054 1.00 71.11 N ATOM 774 CA SER A 50 10.682 9.790 -0.311 1.00 1.32 C ATOM 775 C SER A 50 10.371 9.077 1.015 1.00 62.44 C ATOM 776 O SER A 50 10.540 7.857 1.107 1.00 61.04 O ATOM 777 CB SER A 50 9.449 9.950 -1.198 1.00 61.23 C ATOM 778 OG SER A 50 9.837 10.495 -2.453 1.00 12.35 O ATOM 0 H SER A 50 11.195 8.376 -1.746 1.00 71.11 H new ATOM 0 HA SER A 50 11.066 10.779 -0.062 1.00 1.32 H new ATOM 0 HB2 SER A 50 8.964 8.985 -1.343 1.00 61.23 H new ATOM 0 HB3 SER A 50 8.722 10.603 -0.715 1.00 61.23 H new ATOM 0 HG SER A 50 9.383 10.011 -3.174 1.00 12.35 H new ATOM 784 N PRO A 51 9.912 9.790 2.052 1.00 14.31 N ATOM 785 CA PRO A 51 9.634 9.204 3.359 1.00 53.42 C ATOM 786 C PRO A 51 8.377 8.331 3.339 1.00 50.14 C ATOM 787 O PRO A 51 8.192 7.501 4.229 1.00 60.14 O ATOM 788 CB PRO A 51 9.448 10.405 4.289 1.00 22.30 C ATOM 789 CG PRO A 51 8.893 11.481 3.358 1.00 2.12 C ATOM 790 CD PRO A 51 9.612 11.209 2.047 1.00 21.35 C ATOM 0 HA PRO A 51 10.440 8.544 3.681 1.00 53.42 H new ATOM 0 HB2 PRO A 51 8.758 10.182 5.103 1.00 22.30 H new ATOM 0 HB3 PRO A 51 10.390 10.712 4.744 1.00 22.30 H new ATOM 0 HG2 PRO A 51 7.812 11.400 3.249 1.00 2.12 H new ATOM 0 HG3 PRO A 51 9.102 12.484 3.731 1.00 2.12 H new ATOM 0 HD2 PRO A 51 8.986 11.474 1.195 1.00 21.35 H new ATOM 0 HD3 PRO A 51 10.523 11.802 1.970 1.00 21.35 H new ATOM 798 N TYR A 52 7.510 8.506 2.337 1.00 4.02 N ATOM 799 CA TYR A 52 6.183 7.915 2.298 1.00 15.03 C ATOM 800 C TYR A 52 6.188 6.430 1.940 1.00 24.00 C ATOM 801 O TYR A 52 5.120 5.858 1.761 1.00 52.32 O ATOM 802 CB TYR A 52 5.291 8.725 1.335 1.00 25.00 C ATOM 803 CG TYR A 52 5.223 10.221 1.610 1.00 10.12 C ATOM 804 CD1 TYR A 52 4.994 10.710 2.912 1.00 52.30 C ATOM 805 CD2 TYR A 52 5.380 11.134 0.550 1.00 43.21 C ATOM 806 CE1 TYR A 52 4.950 12.095 3.154 1.00 63.03 C ATOM 807 CE2 TYR A 52 5.322 12.520 0.779 1.00 55.03 C ATOM 808 CZ TYR A 52 5.119 13.007 2.087 1.00 13.43 C ATOM 809 OH TYR A 52 5.114 14.349 2.328 1.00 21.42 O ATOM 0 H TYR A 52 7.722 9.075 1.517 1.00 4.02 H new ATOM 0 HA TYR A 52 5.773 7.964 3.307 1.00 15.03 H new ATOM 0 HB2 TYR A 52 5.654 8.576 0.318 1.00 25.00 H new ATOM 0 HB3 TYR A 52 4.280 8.319 1.375 1.00 25.00 H new ATOM 0 HD1 TYR A 52 4.852 10.017 3.728 1.00 52.30 H new ATOM 0 HD2 TYR A 52 5.547 10.765 -0.451 1.00 43.21 H new ATOM 0 HE1 TYR A 52 4.787 12.462 4.156 1.00 63.03 H new ATOM 0 HE2 TYR A 52 5.433 13.210 -0.045 1.00 55.03 H new ATOM 0 HH TYR A 52 5.244 14.833 1.486 1.00 21.42 H new ATOM 819 N LEU A 53 7.356 5.801 1.795 1.00 74.41 N ATOM 820 CA LEU A 53 7.502 4.534 1.095 1.00 13.14 C ATOM 821 C LEU A 53 8.655 3.756 1.721 1.00 3.12 C ATOM 822 O LEU A 53 9.816 4.012 1.386 1.00 71.11 O ATOM 823 CB LEU A 53 7.746 4.859 -0.393 1.00 12.33 C ATOM 824 CG LEU A 53 6.490 4.628 -1.249 1.00 43.11 C ATOM 825 CD1 LEU A 53 6.641 5.285 -2.621 1.00 31.13 C ATOM 826 CD2 LEU A 53 6.228 3.135 -1.441 1.00 23.13 C ATOM 0 H LEU A 53 8.233 6.165 2.166 1.00 74.41 H new ATOM 0 HA LEU A 53 6.612 3.909 1.175 1.00 13.14 H new ATOM 0 HB2 LEU A 53 8.064 5.897 -0.489 1.00 12.33 H new ATOM 0 HB3 LEU A 53 8.560 4.240 -0.770 1.00 12.33 H new ATOM 0 HG LEU A 53 5.648 5.077 -0.722 1.00 43.11 H new ATOM 0 HD11 LEU A 53 5.741 5.109 -3.210 1.00 31.13 H new ATOM 0 HD12 LEU A 53 6.789 6.358 -2.496 1.00 31.13 H new ATOM 0 HD13 LEU A 53 7.501 4.858 -3.136 1.00 31.13 H new ATOM 0 HD21 LEU A 53 5.334 2.998 -2.050 1.00 23.13 H new ATOM 0 HD22 LEU A 53 7.082 2.677 -1.941 1.00 23.13 H new ATOM 0 HD23 LEU A 53 6.081 2.663 -0.469 1.00 23.13 H new ATOM 838 N LYS A 54 8.365 2.858 2.671 1.00 71.41 N ATOM 839 CA LYS A 54 9.391 2.203 3.481 1.00 23.40 C ATOM 840 C LYS A 54 9.135 0.709 3.692 1.00 75.10 C ATOM 841 O LYS A 54 7.984 0.301 3.839 1.00 25.03 O ATOM 842 CB LYS A 54 9.497 2.934 4.826 1.00 23.13 C ATOM 843 CG LYS A 54 10.363 4.203 4.704 1.00 43.12 C ATOM 844 CD LYS A 54 11.559 4.146 5.654 1.00 31.42 C ATOM 845 CE LYS A 54 11.160 4.518 7.080 1.00 10.11 C ATOM 846 NZ LYS A 54 10.867 5.957 7.218 1.00 41.20 N ATOM 0 H LYS A 54 7.414 2.568 2.897 1.00 71.41 H new ATOM 0 HA LYS A 54 10.334 2.264 2.938 1.00 23.40 H new ATOM 0 HB2 LYS A 54 8.500 3.203 5.176 1.00 23.13 H new ATOM 0 HB3 LYS A 54 9.928 2.267 5.573 1.00 23.13 H new ATOM 0 HG2 LYS A 54 10.714 4.310 3.678 1.00 43.12 H new ATOM 0 HG3 LYS A 54 9.759 5.082 4.927 1.00 43.12 H new ATOM 0 HD2 LYS A 54 11.985 3.143 5.644 1.00 31.42 H new ATOM 0 HD3 LYS A 54 12.336 4.826 5.304 1.00 31.42 H new ATOM 0 HE2 LYS A 54 10.283 3.941 7.373 1.00 10.11 H new ATOM 0 HE3 LYS A 54 11.964 4.245 7.764 1.00 10.11 H new ATOM 0 HZ1 LYS A 54 10.851 6.213 8.226 1.00 41.20 H new ATOM 0 HZ2 LYS A 54 11.602 6.509 6.732 1.00 41.20 H new ATOM 0 HZ3 LYS A 54 9.941 6.165 6.793 1.00 41.20 H new ATOM 860 N PRO A 55 10.195 -0.115 3.744 1.00 32.21 N ATOM 861 CA PRO A 55 10.082 -1.556 3.944 1.00 41.41 C ATOM 862 C PRO A 55 9.630 -1.905 5.364 1.00 42.33 C ATOM 863 O PRO A 55 9.748 -1.093 6.289 1.00 12.41 O ATOM 864 CB PRO A 55 11.490 -2.095 3.684 1.00 2.32 C ATOM 865 CG PRO A 55 12.403 -0.933 4.064 1.00 41.11 C ATOM 866 CD PRO A 55 11.592 0.269 3.589 1.00 62.20 C ATOM 0 HA PRO A 55 9.333 -1.990 3.282 1.00 41.41 H new ATOM 0 HB2 PRO A 55 11.697 -2.979 4.287 1.00 2.32 H new ATOM 0 HB3 PRO A 55 11.622 -2.382 2.641 1.00 2.32 H new ATOM 0 HG2 PRO A 55 12.596 -0.898 5.136 1.00 41.11 H new ATOM 0 HG3 PRO A 55 13.372 -0.995 3.568 1.00 41.11 H new ATOM 0 HD2 PRO A 55 11.823 1.156 4.180 1.00 62.20 H new ATOM 0 HD3 PRO A 55 11.819 0.510 2.551 1.00 62.20 H new ATOM 874 N ARG A 56 9.225 -3.157 5.576 1.00 54.25 N ATOM 875 CA ARG A 56 8.969 -3.755 6.886 1.00 32.43 C ATOM 876 C ARG A 56 9.631 -5.134 6.926 1.00 13.02 C ATOM 877 O ARG A 56 10.521 -5.412 6.122 1.00 45.54 O ATOM 878 CB ARG A 56 7.455 -3.736 7.190 1.00 44.51 C ATOM 879 CG ARG A 56 7.081 -2.371 7.794 1.00 23.51 C ATOM 880 CD ARG A 56 5.890 -2.481 8.746 1.00 32.32 C ATOM 881 NE ARG A 56 5.512 -1.163 9.275 1.00 52.30 N ATOM 882 CZ ARG A 56 6.136 -0.431 10.205 1.00 22.44 C ATOM 883 NH1 ARG A 56 7.234 -0.843 10.828 1.00 20.11 N ATOM 884 NH2 ARG A 56 5.660 0.770 10.490 1.00 65.12 N ATOM 0 H ARG A 56 9.060 -3.809 4.809 1.00 54.25 H new ATOM 0 HA ARG A 56 9.417 -3.178 7.695 1.00 32.43 H new ATOM 0 HB2 ARG A 56 6.886 -3.912 6.277 1.00 44.51 H new ATOM 0 HB3 ARG A 56 7.201 -4.537 7.884 1.00 44.51 H new ATOM 0 HG2 ARG A 56 7.938 -1.963 8.329 1.00 23.51 H new ATOM 0 HG3 ARG A 56 6.843 -1.671 6.993 1.00 23.51 H new ATOM 0 HD2 ARG A 56 5.042 -2.923 8.223 1.00 32.32 H new ATOM 0 HD3 ARG A 56 6.140 -3.149 9.570 1.00 32.32 H new ATOM 0 HE ARG A 56 4.664 -0.753 8.882 1.00 52.30 H new ATOM 0 HH11 ARG A 56 7.636 -1.753 10.604 1.00 20.11 H new ATOM 0 HH12 ARG A 56 7.675 -0.249 11.531 1.00 20.11 H new ATOM 0 HH21 ARG A 56 4.834 1.120 10.004 1.00 65.12 H new ATOM 0 HH22 ARG A 56 6.119 1.346 11.195 1.00 65.12 H new ATOM 898 N VAL A 57 9.262 -5.964 7.896 1.00 73.43 N ATOM 899 CA VAL A 57 9.298 -7.411 7.786 1.00 21.44 C ATOM 900 C VAL A 57 8.015 -7.901 8.459 1.00 40.14 C ATOM 901 O VAL A 57 7.771 -7.571 9.617 1.00 64.30 O ATOM 902 CB VAL A 57 10.558 -8.001 8.448 1.00 63.42 C ATOM 903 CG1 VAL A 57 10.542 -9.536 8.389 1.00 11.53 C ATOM 904 CG2 VAL A 57 11.863 -7.513 7.801 1.00 3.03 C ATOM 0 H VAL A 57 8.922 -5.637 8.801 1.00 73.43 H new ATOM 0 HA VAL A 57 9.348 -7.734 6.746 1.00 21.44 H new ATOM 0 HB VAL A 57 10.533 -7.654 9.481 1.00 63.42 H new ATOM 0 HG11 VAL A 57 11.442 -9.928 8.863 1.00 11.53 H new ATOM 0 HG12 VAL A 57 9.663 -9.911 8.913 1.00 11.53 H new ATOM 0 HG13 VAL A 57 10.509 -9.860 7.349 1.00 11.53 H new ATOM 0 HG21 VAL A 57 12.713 -7.964 8.312 1.00 3.03 H new ATOM 0 HG22 VAL A 57 11.877 -7.800 6.750 1.00 3.03 H new ATOM 0 HG23 VAL A 57 11.925 -6.428 7.882 1.00 3.03 H new ATOM 914 N ILE A 58 7.197 -8.673 7.745 1.00 22.33 N ATOM 915 CA ILE A 58 5.945 -9.234 8.250 1.00 64.42 C ATOM 916 C ILE A 58 6.018 -10.716 7.906 1.00 61.01 C ATOM 917 O ILE A 58 6.172 -11.039 6.730 1.00 35.33 O ATOM 918 CB ILE A 58 4.727 -8.548 7.580 1.00 75.44 C ATOM 919 CG1 ILE A 58 4.711 -7.008 7.713 1.00 51.22 C ATOM 920 CG2 ILE A 58 3.399 -9.144 8.082 1.00 21.04 C ATOM 921 CD1 ILE A 58 4.482 -6.482 9.131 1.00 41.02 C ATOM 0 H ILE A 58 7.391 -8.932 6.778 1.00 22.33 H new ATOM 0 HA ILE A 58 5.818 -9.077 9.321 1.00 64.42 H new ATOM 0 HB ILE A 58 4.837 -8.758 6.516 1.00 75.44 H new ATOM 0 HG12 ILE A 58 5.660 -6.617 7.346 1.00 51.22 H new ATOM 0 HG13 ILE A 58 3.930 -6.611 7.064 1.00 51.22 H new ATOM 0 HG21 ILE A 58 2.566 -8.640 7.592 1.00 21.04 H new ATOM 0 HG22 ILE A 58 3.367 -10.208 7.849 1.00 21.04 H new ATOM 0 HG23 ILE A 58 3.323 -9.006 9.161 1.00 21.04 H new ATOM 0 HD11 ILE A 58 4.488 -5.392 9.120 1.00 41.02 H new ATOM 0 HD12 ILE A 58 3.519 -6.836 9.499 1.00 41.02 H new ATOM 0 HD13 ILE A 58 5.276 -6.843 9.785 1.00 41.02 H new ATOM 933 N GLU A 59 5.988 -11.622 8.886 1.00 64.52 N ATOM 934 CA GLU A 59 6.056 -13.075 8.631 1.00 14.01 C ATOM 935 C GLU A 59 7.308 -13.472 7.816 1.00 50.24 C ATOM 936 O GLU A 59 7.328 -14.493 7.127 1.00 62.00 O ATOM 937 CB GLU A 59 4.754 -13.563 7.952 1.00 74.54 C ATOM 938 CG GLU A 59 3.490 -13.198 8.741 1.00 14.40 C ATOM 939 CD GLU A 59 2.217 -13.635 8.024 1.00 23.44 C ATOM 940 OE1 GLU A 59 1.768 -12.927 7.084 1.00 33.24 O ATOM 941 OE2 GLU A 59 1.640 -14.664 8.435 1.00 51.23 O ATOM 0 H GLU A 59 5.917 -11.379 9.874 1.00 64.52 H new ATOM 0 HA GLU A 59 6.150 -13.575 9.595 1.00 14.01 H new ATOM 0 HB2 GLU A 59 4.689 -13.132 6.953 1.00 74.54 H new ATOM 0 HB3 GLU A 59 4.799 -14.645 7.830 1.00 74.54 H new ATOM 0 HG2 GLU A 59 3.530 -13.666 9.725 1.00 14.40 H new ATOM 0 HG3 GLU A 59 3.463 -12.120 8.902 1.00 14.40 H new ATOM 948 N GLY A 60 8.355 -12.639 7.827 1.00 33.41 N ATOM 949 CA GLY A 60 9.559 -12.835 7.032 1.00 2.30 C ATOM 950 C GLY A 60 9.462 -12.302 5.596 1.00 32.40 C ATOM 951 O GLY A 60 10.494 -12.246 4.925 1.00 50.13 O ATOM 0 H GLY A 60 8.384 -11.796 8.401 1.00 33.41 H new ATOM 0 HA2 GLY A 60 10.394 -12.346 7.533 1.00 2.30 H new ATOM 0 HA3 GLY A 60 9.788 -13.900 6.997 1.00 2.30 H new ATOM 955 N VAL A 61 8.298 -11.859 5.106 1.00 53.21 N ATOM 956 CA VAL A 61 8.196 -11.157 3.824 1.00 4.13 C ATOM 957 C VAL A 61 8.912 -9.806 3.955 1.00 42.30 C ATOM 958 O VAL A 61 9.221 -9.358 5.062 1.00 23.24 O ATOM 959 CB VAL A 61 6.728 -11.052 3.363 1.00 54.23 C ATOM 960 CG1 VAL A 61 5.972 -9.855 3.911 1.00 11.52 C ATOM 961 CG2 VAL A 61 6.578 -11.046 1.836 1.00 3.34 C ATOM 0 H VAL A 61 7.405 -11.977 5.585 1.00 53.21 H new ATOM 0 HA VAL A 61 8.693 -11.718 3.033 1.00 4.13 H new ATOM 0 HB VAL A 61 6.284 -11.955 3.781 1.00 54.23 H new ATOM 0 HG11 VAL A 61 4.950 -9.866 3.532 1.00 11.52 H new ATOM 0 HG12 VAL A 61 5.956 -9.902 5.000 1.00 11.52 H new ATOM 0 HG13 VAL A 61 6.466 -8.937 3.595 1.00 11.52 H new ATOM 0 HG21 VAL A 61 5.523 -10.970 1.574 1.00 3.34 H new ATOM 0 HG22 VAL A 61 7.117 -10.194 1.421 1.00 3.34 H new ATOM 0 HG23 VAL A 61 6.988 -11.969 1.427 1.00 3.34 H new ATOM 971 N ARG A 62 9.198 -9.137 2.839 1.00 25.13 N ATOM 972 CA ARG A 62 9.686 -7.759 2.867 1.00 54.21 C ATOM 973 C ARG A 62 8.550 -6.817 3.271 1.00 63.15 C ATOM 974 O ARG A 62 8.667 -6.124 4.269 1.00 71.34 O ATOM 975 CB ARG A 62 10.292 -7.392 1.508 1.00 42.41 C ATOM 976 CG ARG A 62 11.552 -8.199 1.153 1.00 40.54 C ATOM 977 CD ARG A 62 12.864 -7.530 1.544 1.00 34.22 C ATOM 978 NE ARG A 62 13.102 -7.630 2.994 1.00 60.42 N ATOM 979 CZ ARG A 62 14.266 -7.424 3.614 1.00 52.11 C ATOM 980 NH1 ARG A 62 15.288 -6.870 2.979 1.00 32.04 N ATOM 981 NH2 ARG A 62 14.405 -7.815 4.876 1.00 51.51 N ATOM 0 H ARG A 62 9.100 -9.528 1.902 1.00 25.13 H new ATOM 0 HA ARG A 62 10.476 -7.658 3.611 1.00 54.21 H new ATOM 0 HB2 ARG A 62 9.542 -7.547 0.732 1.00 42.41 H new ATOM 0 HB3 ARG A 62 10.539 -6.330 1.505 1.00 42.41 H new ATOM 0 HG2 ARG A 62 11.495 -9.171 1.643 1.00 40.54 H new ATOM 0 HG3 ARG A 62 11.559 -8.383 0.079 1.00 40.54 H new ATOM 0 HD2 ARG A 62 13.688 -7.997 1.005 1.00 34.22 H new ATOM 0 HD3 ARG A 62 12.843 -6.481 1.248 1.00 34.22 H new ATOM 0 HE ARG A 62 12.304 -7.880 3.578 1.00 60.42 H new ATOM 0 HH11 ARG A 62 15.192 -6.594 2.002 1.00 32.04 H new ATOM 0 HH12 ARG A 62 16.171 -6.719 3.467 1.00 32.04 H new ATOM 0 HH21 ARG A 62 13.628 -8.266 5.359 1.00 51.51 H new ATOM 0 HH22 ARG A 62 15.289 -7.664 5.362 1.00 51.51 H new ATOM 995 N CYS A 63 7.421 -6.832 2.556 1.00 62.01 N ATOM 996 CA CYS A 63 6.350 -5.839 2.686 1.00 52.32 C ATOM 997 C CYS A 63 6.847 -4.423 2.350 1.00 5.23 C ATOM 998 O CYS A 63 8.045 -4.134 2.333 1.00 13.35 O ATOM 999 CB CYS A 63 5.699 -5.871 4.088 1.00 0.13 C ATOM 1000 SG CYS A 63 4.297 -6.988 4.177 1.00 60.23 S ATOM 0 H CYS A 63 7.222 -7.548 1.857 1.00 62.01 H new ATOM 0 HA CYS A 63 5.584 -6.109 1.959 1.00 52.32 H new ATOM 0 HB2 CYS A 63 6.445 -6.172 4.823 1.00 0.13 H new ATOM 0 HB3 CYS A 63 5.375 -4.866 4.356 1.00 0.13 H new ATOM 0 HG CYS A 63 3.357 -6.448 4.894 1.00 60.23 H new ATOM 1006 N LEU A 64 5.904 -3.527 2.075 1.00 41.41 N ATOM 1007 CA LEU A 64 6.160 -2.129 1.764 1.00 12.21 C ATOM 1008 C LEU A 64 5.038 -1.289 2.361 1.00 52.14 C ATOM 1009 O LEU A 64 3.905 -1.390 1.898 1.00 53.11 O ATOM 1010 CB LEU A 64 6.244 -1.972 0.241 1.00 52.41 C ATOM 1011 CG LEU A 64 6.347 -0.515 -0.231 1.00 55.11 C ATOM 1012 CD1 LEU A 64 7.589 0.162 0.361 1.00 64.32 C ATOM 1013 CD2 LEU A 64 6.372 -0.516 -1.761 1.00 71.22 C ATOM 0 H LEU A 64 4.912 -3.763 2.063 1.00 41.41 H new ATOM 0 HA LEU A 64 7.104 -1.791 2.191 1.00 12.21 H new ATOM 0 HB2 LEU A 64 7.111 -2.524 -0.124 1.00 52.41 H new ATOM 0 HB3 LEU A 64 5.363 -2.428 -0.210 1.00 52.41 H new ATOM 0 HG LEU A 64 5.488 0.060 0.115 1.00 55.11 H new ATOM 0 HD11 LEU A 64 7.642 1.194 0.013 1.00 64.32 H new ATOM 0 HD12 LEU A 64 7.527 0.149 1.449 1.00 64.32 H new ATOM 0 HD13 LEU A 64 8.483 -0.375 0.042 1.00 64.32 H new ATOM 0 HD21 LEU A 64 6.445 0.509 -2.124 1.00 71.22 H new ATOM 0 HD22 LEU A 64 7.232 -1.087 -2.110 1.00 71.22 H new ATOM 0 HD23 LEU A 64 5.457 -0.971 -2.140 1.00 71.22 H new ATOM 1025 N ALA A 65 5.340 -0.519 3.404 1.00 41.03 N ATOM 1026 CA ALA A 65 4.443 0.466 3.984 1.00 44.44 C ATOM 1027 C ALA A 65 4.392 1.705 3.084 1.00 74.44 C ATOM 1028 O ALA A 65 5.427 2.113 2.545 1.00 41.20 O ATOM 1029 CB ALA A 65 4.958 0.847 5.373 1.00 44.41 C ATOM 0 H ALA A 65 6.241 -0.568 3.879 1.00 41.03 H new ATOM 0 HA ALA A 65 3.438 0.052 4.070 1.00 44.44 H new ATOM 0 HB1 ALA A 65 4.292 1.586 5.818 1.00 44.41 H new ATOM 0 HB2 ALA A 65 4.989 -0.040 6.005 1.00 44.41 H new ATOM 0 HB3 ALA A 65 5.960 1.267 5.287 1.00 44.41 H new ATOM 1035 N VAL A 66 3.209 2.308 2.949 1.00 3.14 N ATOM 1036 CA VAL A 66 2.942 3.433 2.058 1.00 74.11 C ATOM 1037 C VAL A 66 2.097 4.463 2.827 1.00 62.35 C ATOM 1038 O VAL A 66 0.914 4.219 3.080 1.00 72.00 O ATOM 1039 CB VAL A 66 2.306 2.969 0.741 1.00 54.11 C ATOM 1040 CG1 VAL A 66 2.398 4.108 -0.277 1.00 23.42 C ATOM 1041 CG2 VAL A 66 3.016 1.727 0.180 1.00 3.03 C ATOM 0 H VAL A 66 2.386 2.015 3.475 1.00 3.14 H new ATOM 0 HA VAL A 66 3.873 3.914 1.758 1.00 74.11 H new ATOM 0 HB VAL A 66 1.266 2.704 0.932 1.00 54.11 H new ATOM 0 HG11 VAL A 66 1.949 3.792 -1.219 1.00 23.42 H new ATOM 0 HG12 VAL A 66 1.866 4.980 0.104 1.00 23.42 H new ATOM 0 HG13 VAL A 66 3.444 4.365 -0.442 1.00 23.42 H new ATOM 0 HG21 VAL A 66 2.540 1.426 -0.753 1.00 3.03 H new ATOM 0 HG22 VAL A 66 4.064 1.960 -0.007 1.00 3.03 H new ATOM 0 HG23 VAL A 66 2.949 0.913 0.901 1.00 3.03 H new ATOM 1051 N ASP A 67 2.716 5.562 3.270 1.00 0.12 N ATOM 1052 CA ASP A 67 2.106 6.650 4.051 1.00 3.11 C ATOM 1053 C ASP A 67 1.028 7.325 3.205 1.00 2.34 C ATOM 1054 O ASP A 67 1.268 7.696 2.051 1.00 54.04 O ATOM 1055 CB ASP A 67 3.183 7.669 4.470 1.00 31.20 C ATOM 1056 CG ASP A 67 2.705 8.813 5.379 1.00 5.44 C ATOM 1057 OD1 ASP A 67 1.506 9.177 5.356 1.00 25.32 O ATOM 1058 OD2 ASP A 67 3.557 9.402 6.079 1.00 43.12 O ATOM 0 H ASP A 67 3.705 5.728 3.086 1.00 0.12 H new ATOM 0 HA ASP A 67 1.652 6.245 4.955 1.00 3.11 H new ATOM 0 HB2 ASP A 67 3.983 7.134 4.982 1.00 31.20 H new ATOM 0 HB3 ASP A 67 3.616 8.103 3.569 1.00 31.20 H new ATOM 1063 N LEU A 68 -0.175 7.479 3.760 1.00 33.03 N ATOM 1064 CA LEU A 68 -1.322 8.049 3.058 1.00 13.23 C ATOM 1065 C LEU A 68 -1.195 9.556 2.786 1.00 71.51 C ATOM 1066 O LEU A 68 -1.980 10.124 2.032 1.00 41.44 O ATOM 1067 CB LEU A 68 -2.627 7.683 3.774 1.00 62.44 C ATOM 1068 CG LEU A 68 -3.295 6.481 3.070 1.00 52.11 C ATOM 1069 CD1 LEU A 68 -4.283 5.773 3.997 1.00 14.11 C ATOM 1070 CD2 LEU A 68 -3.995 6.914 1.775 1.00 12.42 C ATOM 0 H LEU A 68 -0.381 7.208 4.721 1.00 33.03 H new ATOM 0 HA LEU A 68 -1.343 7.597 2.067 1.00 13.23 H new ATOM 0 HB2 LEU A 68 -2.423 7.438 4.816 1.00 62.44 H new ATOM 0 HB3 LEU A 68 -3.304 8.537 3.774 1.00 62.44 H new ATOM 0 HG LEU A 68 -2.504 5.776 2.813 1.00 52.11 H new ATOM 0 HD11 LEU A 68 -4.736 4.932 3.472 1.00 14.11 H new ATOM 0 HD12 LEU A 68 -3.757 5.409 4.880 1.00 14.11 H new ATOM 0 HD13 LEU A 68 -5.062 6.472 4.301 1.00 14.11 H new ATOM 0 HD21 LEU A 68 -4.455 6.046 1.303 1.00 12.42 H new ATOM 0 HD22 LEU A 68 -4.763 7.652 2.006 1.00 12.42 H new ATOM 0 HD23 LEU A 68 -3.264 7.352 1.095 1.00 12.42 H new ATOM 1082 N LYS A 69 -0.192 10.230 3.348 1.00 70.54 N ATOM 1083 CA LYS A 69 0.130 11.619 3.018 1.00 23.33 C ATOM 1084 C LYS A 69 0.516 11.756 1.548 1.00 15.31 C ATOM 1085 O LYS A 69 0.280 12.816 0.975 1.00 0.32 O ATOM 1086 CB LYS A 69 1.253 12.126 3.938 1.00 15.34 C ATOM 1087 CG LYS A 69 1.248 13.640 4.171 1.00 44.13 C ATOM 1088 CD LYS A 69 1.885 14.497 3.074 1.00 2.30 C ATOM 1089 CE LYS A 69 0.909 15.518 2.488 1.00 41.33 C ATOM 1090 NZ LYS A 69 0.365 16.449 3.500 1.00 71.20 N ATOM 0 H LYS A 69 0.425 9.824 4.051 1.00 70.54 H new ATOM 0 HA LYS A 69 -0.756 12.233 3.180 1.00 23.33 H new ATOM 0 HB2 LYS A 69 1.171 11.623 4.901 1.00 15.34 H new ATOM 0 HB3 LYS A 69 2.214 11.840 3.509 1.00 15.34 H new ATOM 0 HG2 LYS A 69 0.215 13.963 4.301 1.00 44.13 H new ATOM 0 HG3 LYS A 69 1.766 13.844 5.108 1.00 44.13 H new ATOM 0 HD2 LYS A 69 2.751 15.019 3.482 1.00 2.30 H new ATOM 0 HD3 LYS A 69 2.250 13.849 2.277 1.00 2.30 H new ATOM 0 HE2 LYS A 69 1.415 16.091 1.711 1.00 41.33 H new ATOM 0 HE3 LYS A 69 0.085 14.990 2.009 1.00 41.33 H new ATOM 0 HZ1 LYS A 69 0.044 17.321 3.033 1.00 71.20 H new ATOM 0 HZ2 LYS A 69 -0.437 16.002 3.988 1.00 71.20 H new ATOM 0 HZ3 LYS A 69 1.106 16.680 4.193 1.00 71.20 H new ATOM 1104 N LEU A 70 1.080 10.731 0.905 1.00 60.41 N ATOM 1105 CA LEU A 70 1.378 10.817 -0.523 1.00 73.43 C ATOM 1106 C LEU A 70 0.091 11.023 -1.340 1.00 71.21 C ATOM 1107 O LEU A 70 0.123 11.770 -2.308 1.00 64.02 O ATOM 1108 CB LEU A 70 2.206 9.611 -0.987 1.00 1.50 C ATOM 1109 CG LEU A 70 2.410 9.537 -2.516 1.00 32.53 C ATOM 1110 CD1 LEU A 70 3.385 10.601 -3.030 1.00 2.20 C ATOM 1111 CD2 LEU A 70 2.930 8.140 -2.849 1.00 64.23 C ATOM 0 H LEU A 70 1.335 9.846 1.343 1.00 60.41 H new ATOM 0 HA LEU A 70 1.998 11.696 -0.701 1.00 73.43 H new ATOM 0 HB2 LEU A 70 3.182 9.646 -0.502 1.00 1.50 H new ATOM 0 HB3 LEU A 70 1.716 8.697 -0.652 1.00 1.50 H new ATOM 0 HG LEU A 70 1.457 9.731 -3.008 1.00 32.53 H new ATOM 0 HD11 LEU A 70 3.492 10.505 -4.110 1.00 2.20 H new ATOM 0 HD12 LEU A 70 3.001 11.593 -2.791 1.00 2.20 H new ATOM 0 HD13 LEU A 70 4.357 10.464 -2.555 1.00 2.20 H new ATOM 0 HD21 LEU A 70 3.084 8.056 -3.925 1.00 64.23 H new ATOM 0 HD22 LEU A 70 3.875 7.971 -2.332 1.00 64.23 H new ATOM 0 HD23 LEU A 70 2.202 7.395 -2.528 1.00 64.23 H new ATOM 1123 N LYS A 71 -1.056 10.452 -0.959 1.00 3.14 N ATOM 1124 CA LYS A 71 -2.327 10.587 -1.692 1.00 25.12 C ATOM 1125 C LYS A 71 -2.829 12.029 -1.691 1.00 30.44 C ATOM 1126 O LYS A 71 -3.440 12.465 -2.662 1.00 35.45 O ATOM 1127 CB LYS A 71 -3.345 9.629 -1.040 1.00 32.22 C ATOM 1128 CG LYS A 71 -4.795 9.631 -1.549 1.00 42.14 C ATOM 1129 CD LYS A 71 -4.992 9.036 -2.953 1.00 4.02 C ATOM 1130 CE LYS A 71 -6.406 8.457 -3.171 1.00 42.14 C ATOM 1131 NZ LYS A 71 -7.499 9.358 -2.718 1.00 24.35 N ATOM 0 H LYS A 71 -1.133 9.874 -0.122 1.00 3.14 H new ATOM 0 HA LYS A 71 -2.183 10.323 -2.740 1.00 25.12 H new ATOM 0 HB2 LYS A 71 -2.959 8.615 -1.147 1.00 32.22 H new ATOM 0 HB3 LYS A 71 -3.370 9.850 0.027 1.00 32.22 H new ATOM 0 HG2 LYS A 71 -5.412 9.073 -0.845 1.00 42.14 H new ATOM 0 HG3 LYS A 71 -5.162 10.657 -1.551 1.00 42.14 H new ATOM 0 HD2 LYS A 71 -4.803 9.808 -3.698 1.00 4.02 H new ATOM 0 HD3 LYS A 71 -4.255 8.250 -3.115 1.00 4.02 H new ATOM 0 HE2 LYS A 71 -6.541 8.242 -4.231 1.00 42.14 H new ATOM 0 HE3 LYS A 71 -6.486 7.508 -2.640 1.00 42.14 H new ATOM 0 HZ1 LYS A 71 -8.418 8.951 -2.987 1.00 24.35 H new ATOM 0 HZ2 LYS A 71 -7.456 9.464 -1.684 1.00 24.35 H new ATOM 0 HZ3 LYS A 71 -7.389 10.290 -3.166 1.00 24.35 H new ATOM 1145 N ASP A 72 -2.559 12.781 -0.631 1.00 20.41 N ATOM 1146 CA ASP A 72 -2.910 14.192 -0.495 1.00 54.15 C ATOM 1147 C ASP A 72 -2.159 15.033 -1.531 1.00 12.42 C ATOM 1148 O ASP A 72 -2.746 15.878 -2.220 1.00 1.42 O ATOM 1149 CB ASP A 72 -2.570 14.597 0.940 1.00 62.44 C ATOM 1150 CG ASP A 72 -2.565 16.090 1.229 1.00 40.21 C ATOM 1151 OD1 ASP A 72 -1.644 16.795 0.766 1.00 13.42 O ATOM 1152 OD2 ASP A 72 -3.308 16.500 2.154 1.00 23.12 O ATOM 0 H ASP A 72 -2.073 12.414 0.187 1.00 20.41 H new ATOM 0 HA ASP A 72 -3.970 14.361 -0.683 1.00 54.15 H new ATOM 0 HB2 ASP A 72 -3.285 14.120 1.610 1.00 62.44 H new ATOM 0 HB3 ASP A 72 -1.587 14.196 1.186 1.00 62.44 H new ATOM 1157 N THR A 73 -0.860 14.767 -1.669 1.00 71.20 N ATOM 1158 CA THR A 73 0.028 15.552 -2.518 1.00 30.15 C ATOM 1159 C THR A 73 0.046 15.043 -3.973 1.00 2.41 C ATOM 1160 O THR A 73 -0.063 15.859 -4.891 1.00 0.44 O ATOM 1161 CB THR A 73 1.400 15.698 -1.828 1.00 3.31 C ATOM 1162 OG1 THR A 73 2.296 16.547 -2.515 1.00 55.42 O ATOM 1163 CG2 THR A 73 2.141 14.386 -1.583 1.00 2.21 C ATOM 0 H THR A 73 -0.394 13.996 -1.191 1.00 71.20 H new ATOM 0 HA THR A 73 -0.355 16.566 -2.630 1.00 30.15 H new ATOM 0 HB THR A 73 1.115 16.135 -0.871 1.00 3.31 H new ATOM 0 HG1 THR A 73 3.142 16.596 -2.024 1.00 55.42 H new ATOM 0 HG21 THR A 73 3.093 14.592 -1.094 1.00 2.21 H new ATOM 0 HG22 THR A 73 1.537 13.741 -0.944 1.00 2.21 H new ATOM 0 HG23 THR A 73 2.322 13.887 -2.535 1.00 2.21 H new ATOM 1171 N ASN A 74 0.135 13.732 -4.210 1.00 62.15 N ATOM 1172 CA ASN A 74 0.184 13.089 -5.523 1.00 21.22 C ATOM 1173 C ASN A 74 -0.739 11.858 -5.528 1.00 31.22 C ATOM 1174 O ASN A 74 -0.272 10.719 -5.406 1.00 12.40 O ATOM 1175 CB ASN A 74 1.630 12.722 -5.903 1.00 72.51 C ATOM 1176 CG ASN A 74 1.709 12.334 -7.377 1.00 73.31 C ATOM 1177 OD1 ASN A 74 1.526 13.191 -8.235 1.00 34.55 O ATOM 1178 ND2 ASN A 74 1.971 11.083 -7.720 1.00 51.40 N ATOM 0 H ASN A 74 0.177 13.055 -3.449 1.00 62.15 H new ATOM 0 HA ASN A 74 -0.173 13.788 -6.279 1.00 21.22 H new ATOM 0 HB2 ASN A 74 2.290 13.567 -5.707 1.00 72.51 H new ATOM 0 HB3 ASN A 74 1.977 11.895 -5.283 1.00 72.51 H new ATOM 0 HD21 ASN A 74 2.022 10.824 -8.705 1.00 51.40 H new ATOM 0 HD22 ASN A 74 2.122 10.377 -6.999 1.00 51.40 H new ATOM 1185 N PRO A 75 -2.061 12.047 -5.673 1.00 30.45 N ATOM 1186 CA PRO A 75 -3.025 10.954 -5.655 1.00 13.13 C ATOM 1187 C PRO A 75 -2.837 9.988 -6.816 1.00 62.14 C ATOM 1188 O PRO A 75 -2.922 8.781 -6.627 1.00 64.50 O ATOM 1189 CB PRO A 75 -4.409 11.613 -5.725 1.00 62.13 C ATOM 1190 CG PRO A 75 -4.127 12.967 -6.359 1.00 61.55 C ATOM 1191 CD PRO A 75 -2.760 13.315 -5.784 1.00 22.22 C ATOM 0 HA PRO A 75 -2.896 10.356 -4.753 1.00 13.13 H new ATOM 0 HB2 PRO A 75 -5.103 11.025 -6.326 1.00 62.13 H new ATOM 0 HB3 PRO A 75 -4.854 11.718 -4.735 1.00 62.13 H new ATOM 0 HG2 PRO A 75 -4.108 12.911 -7.447 1.00 61.55 H new ATOM 0 HG3 PRO A 75 -4.881 13.707 -6.091 1.00 61.55 H new ATOM 0 HD2 PRO A 75 -2.223 14.005 -6.435 1.00 22.22 H new ATOM 0 HD3 PRO A 75 -2.853 13.800 -4.812 1.00 22.22 H new ATOM 1199 N GLU A 76 -2.551 10.502 -8.010 1.00 11.40 N ATOM 1200 CA GLU A 76 -2.499 9.748 -9.256 1.00 13.32 C ATOM 1201 C GLU A 76 -1.522 8.582 -9.168 1.00 34.33 C ATOM 1202 O GLU A 76 -1.791 7.486 -9.665 1.00 64.13 O ATOM 1203 CB GLU A 76 -2.045 10.747 -10.332 1.00 72.10 C ATOM 1204 CG GLU A 76 -2.114 10.143 -11.724 1.00 33.15 C ATOM 1205 CD GLU A 76 -1.817 11.139 -12.854 1.00 20.22 C ATOM 1206 OE1 GLU A 76 -2.611 12.097 -13.043 1.00 33.23 O ATOM 1207 OE2 GLU A 76 -0.881 10.912 -13.636 1.00 53.04 O ATOM 0 H GLU A 76 -2.342 11.492 -8.139 1.00 11.40 H new ATOM 0 HA GLU A 76 -3.472 9.314 -9.486 1.00 13.32 H new ATOM 0 HB2 GLU A 76 -2.673 11.637 -10.290 1.00 72.10 H new ATOM 0 HB3 GLU A 76 -1.024 11.067 -10.124 1.00 72.10 H new ATOM 0 HG2 GLU A 76 -1.405 9.317 -11.786 1.00 33.15 H new ATOM 0 HG3 GLU A 76 -3.108 9.722 -11.877 1.00 33.15 H new ATOM 1214 N GLY A 77 -0.394 8.831 -8.515 1.00 11.11 N ATOM 1215 CA GLY A 77 0.635 7.840 -8.303 1.00 10.12 C ATOM 1216 C GLY A 77 0.309 6.876 -7.167 1.00 2.13 C ATOM 1217 O GLY A 77 0.732 5.722 -7.213 1.00 74.41 O ATOM 0 H GLY A 77 -0.172 9.743 -8.115 1.00 11.11 H new ATOM 0 HA2 GLY A 77 0.781 7.273 -9.223 1.00 10.12 H new ATOM 0 HA3 GLY A 77 1.577 8.343 -8.086 1.00 10.12 H new ATOM 1221 N PHE A 78 -0.442 7.303 -6.148 1.00 20.13 N ATOM 1222 CA PHE A 78 -0.936 6.400 -5.112 1.00 22.44 C ATOM 1223 C PHE A 78 -1.890 5.402 -5.737 1.00 73.45 C ATOM 1224 O PHE A 78 -1.739 4.194 -5.594 1.00 42.11 O ATOM 1225 CB PHE A 78 -1.592 7.181 -3.971 1.00 12.00 C ATOM 1226 CG PHE A 78 -2.098 6.277 -2.866 1.00 23.02 C ATOM 1227 CD1 PHE A 78 -1.220 5.879 -1.845 1.00 23.31 C ATOM 1228 CD2 PHE A 78 -3.421 5.796 -2.872 1.00 21.31 C ATOM 1229 CE1 PHE A 78 -1.658 5.041 -0.809 1.00 24.23 C ATOM 1230 CE2 PHE A 78 -3.870 4.977 -1.824 1.00 22.54 C ATOM 1231 CZ PHE A 78 -2.988 4.600 -0.795 1.00 70.10 C ATOM 0 H PHE A 78 -0.721 8.276 -6.021 1.00 20.13 H new ATOM 0 HA PHE A 78 -0.100 5.854 -4.675 1.00 22.44 H new ATOM 0 HB2 PHE A 78 -0.872 7.887 -3.557 1.00 12.00 H new ATOM 0 HB3 PHE A 78 -2.422 7.767 -4.366 1.00 12.00 H new ATOM 0 HD1 PHE A 78 -0.196 6.222 -1.858 1.00 23.31 H new ATOM 0 HD2 PHE A 78 -4.088 6.056 -3.680 1.00 21.31 H new ATOM 0 HE1 PHE A 78 -0.976 4.738 -0.028 1.00 24.23 H new ATOM 0 HE2 PHE A 78 -4.895 4.636 -1.808 1.00 22.54 H new ATOM 0 HZ PHE A 78 -3.337 3.968 0.009 1.00 70.10 H new ATOM 1241 N ASN A 79 -2.815 5.943 -6.511 1.00 42.21 N ATOM 1242 CA ASN A 79 -3.811 5.234 -7.296 1.00 13.31 C ATOM 1243 C ASN A 79 -3.122 4.184 -8.184 1.00 51.53 C ATOM 1244 O ASN A 79 -3.503 3.015 -8.169 1.00 62.35 O ATOM 1245 CB ASN A 79 -4.621 6.291 -8.069 1.00 1.12 C ATOM 1246 CG ASN A 79 -5.493 7.163 -7.164 1.00 30.41 C ATOM 1247 OD1 ASN A 79 -5.796 6.817 -6.025 1.00 21.10 O ATOM 1248 ND2 ASN A 79 -5.874 8.336 -7.640 1.00 1.34 N ATOM 0 H ASN A 79 -2.895 6.955 -6.614 1.00 42.21 H new ATOM 0 HA ASN A 79 -4.508 4.669 -6.677 1.00 13.31 H new ATOM 0 HB2 ASN A 79 -3.935 6.929 -8.626 1.00 1.12 H new ATOM 0 HB3 ASN A 79 -5.255 5.790 -8.800 1.00 1.12 H new ATOM 0 HD21 ASN A 79 -6.427 8.967 -7.060 1.00 1.34 H new ATOM 0 HD22 ASN A 79 -5.615 8.610 -8.588 1.00 1.34 H new ATOM 1255 N GLN A 80 -2.040 4.548 -8.886 1.00 51.10 N ATOM 1256 CA GLN A 80 -1.216 3.590 -9.624 1.00 53.45 C ATOM 1257 C GLN A 80 -0.606 2.511 -8.721 1.00 3.34 C ATOM 1258 O GLN A 80 -0.531 1.350 -9.129 1.00 2.12 O ATOM 1259 CB GLN A 80 -0.095 4.331 -10.368 1.00 13.20 C ATOM 1260 CG GLN A 80 -0.606 5.149 -11.560 1.00 4.31 C ATOM 1261 CD GLN A 80 0.010 4.698 -12.881 1.00 32.54 C ATOM 1262 OE1 GLN A 80 -0.242 3.590 -13.348 1.00 53.34 O ATOM 1263 NE2 GLN A 80 0.808 5.544 -13.502 1.00 45.05 N ATOM 0 H GLN A 80 -1.715 5.512 -8.956 1.00 51.10 H new ATOM 0 HA GLN A 80 -1.873 3.086 -10.332 1.00 53.45 H new ATOM 0 HB2 GLN A 80 0.418 4.995 -9.672 1.00 13.20 H new ATOM 0 HB3 GLN A 80 0.640 3.607 -10.720 1.00 13.20 H new ATOM 0 HG2 GLN A 80 -1.691 5.061 -11.619 1.00 4.31 H new ATOM 0 HG3 GLN A 80 -0.380 6.203 -11.398 1.00 4.31 H new ATOM 0 HE21 GLN A 80 1.001 6.458 -13.092 1.00 45.05 H new ATOM 0 HE22 GLN A 80 1.233 5.285 -14.392 1.00 45.05 H new ATOM 1272 N LEU A 81 -0.127 2.868 -7.525 1.00 73.30 N ATOM 1273 CA LEU A 81 0.478 1.928 -6.580 1.00 21.25 C ATOM 1274 C LEU A 81 -0.525 0.842 -6.199 1.00 21.04 C ATOM 1275 O LEU A 81 -0.172 -0.338 -6.169 1.00 34.34 O ATOM 1276 CB LEU A 81 0.961 2.665 -5.313 1.00 51.55 C ATOM 1277 CG LEU A 81 2.172 1.967 -4.656 1.00 71.55 C ATOM 1278 CD1 LEU A 81 3.398 2.856 -4.423 1.00 14.14 C ATOM 1279 CD2 LEU A 81 1.811 1.330 -3.319 1.00 72.40 C ATOM 0 H LEU A 81 -0.149 3.829 -7.183 1.00 73.30 H new ATOM 0 HA LEU A 81 1.338 1.464 -7.063 1.00 21.25 H new ATOM 0 HB2 LEU A 81 1.231 3.689 -5.571 1.00 51.55 H new ATOM 0 HB3 LEU A 81 0.143 2.722 -4.594 1.00 51.55 H new ATOM 0 HG LEU A 81 2.443 1.214 -5.396 1.00 71.55 H new ATOM 0 HD11 LEU A 81 4.190 2.269 -3.958 1.00 14.14 H new ATOM 0 HD12 LEU A 81 3.750 3.248 -5.377 1.00 14.14 H new ATOM 0 HD13 LEU A 81 3.128 3.684 -3.768 1.00 14.14 H new ATOM 0 HD21 LEU A 81 2.693 0.851 -2.894 1.00 72.40 H new ATOM 0 HD22 LEU A 81 1.451 2.099 -2.635 1.00 72.40 H new ATOM 0 HD23 LEU A 81 1.031 0.584 -3.470 1.00 72.40 H new ATOM 1291 N MET A 82 -1.769 1.257 -5.947 1.00 42.52 N ATOM 1292 CA MET A 82 -2.866 0.360 -5.603 1.00 41.13 C ATOM 1293 C MET A 82 -3.065 -0.682 -6.708 1.00 15.45 C ATOM 1294 O MET A 82 -3.069 -1.894 -6.465 1.00 32.53 O ATOM 1295 CB MET A 82 -4.188 1.116 -5.364 1.00 13.24 C ATOM 1296 CG MET A 82 -4.149 2.198 -4.280 1.00 3.11 C ATOM 1297 SD MET A 82 -3.453 1.707 -2.686 1.00 41.43 S ATOM 1298 CE MET A 82 -4.670 0.482 -2.151 1.00 1.35 C ATOM 0 H MET A 82 -2.042 2.239 -5.978 1.00 42.52 H new ATOM 0 HA MET A 82 -2.593 -0.134 -4.671 1.00 41.13 H new ATOM 0 HB2 MET A 82 -4.495 1.579 -6.302 1.00 13.24 H new ATOM 0 HB3 MET A 82 -4.957 0.390 -5.099 1.00 13.24 H new ATOM 0 HG2 MET A 82 -3.573 3.042 -4.659 1.00 3.11 H new ATOM 0 HG3 MET A 82 -5.166 2.554 -4.115 1.00 3.11 H new ATOM 0 HE1 MET A 82 -4.372 0.070 -1.187 1.00 1.35 H new ATOM 0 HE2 MET A 82 -5.647 0.957 -2.057 1.00 1.35 H new ATOM 0 HE3 MET A 82 -4.726 -0.320 -2.887 1.00 1.35 H new ATOM 1308 N HIS A 83 -3.228 -0.213 -7.948 1.00 22.31 N ATOM 1309 CA HIS A 83 -3.512 -1.096 -9.069 1.00 74.41 C ATOM 1310 C HIS A 83 -2.338 -2.034 -9.340 1.00 70.14 C ATOM 1311 O HIS A 83 -2.552 -3.206 -9.624 1.00 51.44 O ATOM 1312 CB HIS A 83 -3.851 -0.278 -10.318 1.00 24.11 C ATOM 1313 CG HIS A 83 -4.695 -0.992 -11.353 1.00 10.30 C ATOM 1314 ND1 HIS A 83 -4.984 -0.492 -12.604 1.00 33.30 N ATOM 1315 CD2 HIS A 83 -5.394 -2.165 -11.209 1.00 75.52 C ATOM 1316 CE1 HIS A 83 -5.825 -1.346 -13.207 1.00 23.04 C ATOM 1317 NE2 HIS A 83 -6.141 -2.356 -12.379 1.00 22.21 N ATOM 0 H HIS A 83 -3.167 0.775 -8.195 1.00 22.31 H new ATOM 0 HA HIS A 83 -4.376 -1.709 -8.810 1.00 74.41 H new ATOM 0 HB2 HIS A 83 -4.375 0.626 -10.008 1.00 24.11 H new ATOM 0 HB3 HIS A 83 -2.920 0.038 -10.788 1.00 24.11 H new ATOM 0 HD2 HIS A 83 -5.372 -2.820 -10.351 1.00 75.52 H new ATOM 0 HE1 HIS A 83 -6.196 -1.237 -14.216 1.00 23.04 H new ATOM 0 HE2 HIS A 83 -6.797 -3.114 -12.566 1.00 22.21 H new ATOM 1325 N PHE A 84 -1.100 -1.549 -9.201 1.00 35.31 N ATOM 1326 CA PHE A 84 0.111 -2.343 -9.378 1.00 11.53 C ATOM 1327 C PHE A 84 0.091 -3.586 -8.491 1.00 52.51 C ATOM 1328 O PHE A 84 0.423 -4.676 -8.968 1.00 51.52 O ATOM 1329 CB PHE A 84 1.334 -1.471 -9.070 1.00 64.24 C ATOM 1330 CG PHE A 84 2.624 -2.219 -8.795 1.00 15.04 C ATOM 1331 CD1 PHE A 84 2.932 -2.650 -7.489 1.00 12.30 C ATOM 1332 CD2 PHE A 84 3.546 -2.426 -9.831 1.00 41.42 C ATOM 1333 CE1 PHE A 84 4.180 -3.237 -7.211 1.00 42.41 C ATOM 1334 CE2 PHE A 84 4.810 -2.969 -9.543 1.00 54.52 C ATOM 1335 CZ PHE A 84 5.137 -3.361 -8.236 1.00 22.11 C ATOM 0 H PHE A 84 -0.913 -0.576 -8.958 1.00 35.31 H new ATOM 0 HA PHE A 84 0.163 -2.685 -10.412 1.00 11.53 H new ATOM 0 HB2 PHE A 84 1.498 -0.798 -9.912 1.00 64.24 H new ATOM 0 HB3 PHE A 84 1.105 -0.849 -8.205 1.00 64.24 H new ATOM 0 HD1 PHE A 84 2.207 -2.529 -6.698 1.00 12.30 H new ATOM 0 HD2 PHE A 84 3.286 -2.169 -10.847 1.00 41.42 H new ATOM 0 HE1 PHE A 84 4.403 -3.591 -6.215 1.00 42.41 H new ATOM 0 HE2 PHE A 84 5.536 -3.086 -10.334 1.00 54.52 H new ATOM 0 HZ PHE A 84 6.118 -3.756 -8.017 1.00 22.11 H new ATOM 1345 N ALA A 85 -0.273 -3.424 -7.213 1.00 71.23 N ATOM 1346 CA ALA A 85 -0.347 -4.535 -6.278 1.00 75.41 C ATOM 1347 C ALA A 85 -1.349 -5.563 -6.798 1.00 12.24 C ATOM 1348 O ALA A 85 -1.007 -6.732 -6.977 1.00 44.32 O ATOM 1349 CB ALA A 85 -0.721 -4.022 -4.883 1.00 61.11 C ATOM 0 H ALA A 85 -0.522 -2.522 -6.807 1.00 71.23 H new ATOM 0 HA ALA A 85 0.625 -5.022 -6.194 1.00 75.41 H new ATOM 0 HB1 ALA A 85 -0.774 -4.861 -4.189 1.00 61.11 H new ATOM 0 HB2 ALA A 85 0.035 -3.315 -4.541 1.00 61.11 H new ATOM 0 HB3 ALA A 85 -1.690 -3.525 -4.926 1.00 61.11 H new ATOM 1355 N THR A 86 -2.560 -5.096 -7.084 1.00 61.13 N ATOM 1356 CA THR A 86 -3.680 -5.900 -7.541 1.00 63.24 C ATOM 1357 C THR A 86 -3.324 -6.665 -8.829 1.00 0.41 C ATOM 1358 O THR A 86 -3.571 -7.870 -8.919 1.00 2.24 O ATOM 1359 CB THR A 86 -4.904 -4.978 -7.714 1.00 24.32 C ATOM 1360 OG1 THR A 86 -5.015 -4.037 -6.651 1.00 43.44 O ATOM 1361 CG2 THR A 86 -6.197 -5.792 -7.714 1.00 52.35 C ATOM 0 H THR A 86 -2.794 -4.107 -6.999 1.00 61.13 H new ATOM 0 HA THR A 86 -3.923 -6.663 -6.802 1.00 63.24 H new ATOM 0 HB THR A 86 -4.760 -4.459 -8.662 1.00 24.32 H new ATOM 0 HG1 THR A 86 -4.396 -3.293 -6.806 1.00 43.44 H new ATOM 0 HG21 THR A 86 -7.048 -5.123 -7.837 1.00 52.35 H new ATOM 0 HG22 THR A 86 -6.176 -6.508 -8.536 1.00 52.35 H new ATOM 0 HG23 THR A 86 -6.290 -6.327 -6.769 1.00 52.35 H new ATOM 1369 N GLU A 87 -2.662 -6.013 -9.792 1.00 61.12 N ATOM 1370 CA GLU A 87 -2.318 -6.601 -11.082 1.00 3.43 C ATOM 1371 C GLU A 87 -1.361 -7.769 -10.889 1.00 31.41 C ATOM 1372 O GLU A 87 -1.497 -8.802 -11.550 1.00 51.35 O ATOM 1373 CB GLU A 87 -1.674 -5.528 -11.981 1.00 45.35 C ATOM 1374 CG GLU A 87 -2.692 -4.734 -12.812 1.00 62.32 C ATOM 1375 CD GLU A 87 -3.446 -5.604 -13.824 1.00 25.25 C ATOM 1376 OE1 GLU A 87 -2.784 -6.437 -14.501 1.00 55.14 O ATOM 1377 OE2 GLU A 87 -4.676 -5.463 -13.973 1.00 73.32 O ATOM 0 H GLU A 87 -2.348 -5.048 -9.691 1.00 61.12 H new ATOM 0 HA GLU A 87 -3.224 -6.972 -11.560 1.00 3.43 H new ATOM 0 HB2 GLU A 87 -1.107 -4.836 -11.358 1.00 45.35 H new ATOM 0 HB3 GLU A 87 -0.963 -6.008 -12.654 1.00 45.35 H new ATOM 0 HG2 GLU A 87 -3.410 -4.261 -12.142 1.00 62.32 H new ATOM 0 HG3 GLU A 87 -2.175 -3.934 -13.342 1.00 62.32 H new ATOM 1384 N ASN A 88 -0.416 -7.625 -9.960 1.00 51.03 N ATOM 1385 CA ASN A 88 0.588 -8.629 -9.621 1.00 43.34 C ATOM 1386 C ASN A 88 0.079 -9.578 -8.532 1.00 30.11 C ATOM 1387 O ASN A 88 0.845 -10.386 -8.010 1.00 52.21 O ATOM 1388 CB ASN A 88 1.908 -7.928 -9.266 1.00 42.23 C ATOM 1389 CG ASN A 88 2.474 -7.274 -10.521 1.00 61.12 C ATOM 1390 OD1 ASN A 88 3.088 -7.920 -11.367 1.00 64.44 O ATOM 1391 ND2 ASN A 88 2.192 -6.002 -10.749 1.00 32.04 N ATOM 0 H ASN A 88 -0.327 -6.775 -9.404 1.00 51.03 H new ATOM 0 HA ASN A 88 0.783 -9.266 -10.483 1.00 43.34 H new ATOM 0 HB2 ASN A 88 1.740 -7.178 -8.493 1.00 42.23 H new ATOM 0 HB3 ASN A 88 2.620 -8.648 -8.862 1.00 42.23 H new ATOM 0 HD21 ASN A 88 2.484 -5.564 -11.622 1.00 32.04 H new ATOM 0 HD22 ASN A 88 1.683 -5.460 -10.051 1.00 32.04 H new ATOM 1398 N GLN A 89 -1.222 -9.516 -8.221 1.00 10.13 N ATOM 1399 CA GLN A 89 -1.933 -10.327 -7.242 1.00 4.30 C ATOM 1400 C GLN A 89 -1.281 -10.289 -5.856 1.00 74.43 C ATOM 1401 O GLN A 89 -1.357 -11.272 -5.113 1.00 1.15 O ATOM 1402 CB GLN A 89 -2.109 -11.763 -7.751 1.00 53.43 C ATOM 1403 CG GLN A 89 -2.698 -11.908 -9.164 1.00 21.31 C ATOM 1404 CD GLN A 89 -1.640 -12.404 -10.141 1.00 3.13 C ATOM 1405 OE1 GLN A 89 -1.177 -13.541 -10.027 1.00 0.51 O ATOM 1406 NE2 GLN A 89 -1.232 -11.583 -11.095 1.00 42.14 N ATOM 0 H GLN A 89 -1.842 -8.850 -8.682 1.00 10.13 H new ATOM 0 HA GLN A 89 -2.923 -9.887 -7.119 1.00 4.30 H new ATOM 0 HB2 GLN A 89 -1.137 -12.256 -7.731 1.00 53.43 H new ATOM 0 HB3 GLN A 89 -2.753 -12.299 -7.053 1.00 53.43 H new ATOM 0 HG2 GLN A 89 -3.536 -12.604 -9.144 1.00 21.31 H new ATOM 0 HG3 GLN A 89 -3.089 -10.948 -9.501 1.00 21.31 H new ATOM 0 HE21 GLN A 89 -1.631 -10.647 -11.168 1.00 42.14 H new ATOM 0 HE22 GLN A 89 -0.518 -11.886 -11.758 1.00 42.14 H new ATOM 1415 N LEU A 90 -0.602 -9.191 -5.522 1.00 30.43 N ATOM 1416 CA LEU A 90 -0.047 -8.971 -4.199 1.00 32.32 C ATOM 1417 C LEU A 90 -1.197 -8.767 -3.224 1.00 21.02 C ATOM 1418 O LEU A 90 -2.230 -8.194 -3.585 1.00 22.25 O ATOM 1419 CB LEU A 90 0.893 -7.756 -4.192 1.00 53.53 C ATOM 1420 CG LEU A 90 2.158 -7.937 -5.051 1.00 33.22 C ATOM 1421 CD1 LEU A 90 3.037 -6.683 -4.994 1.00 53.31 C ATOM 1422 CD2 LEU A 90 2.996 -9.138 -4.598 1.00 24.22 C ATOM 0 H LEU A 90 -0.424 -8.426 -6.173 1.00 30.43 H new ATOM 0 HA LEU A 90 0.543 -9.838 -3.901 1.00 32.32 H new ATOM 0 HB2 LEU A 90 0.345 -6.884 -4.550 1.00 53.53 H new ATOM 0 HB3 LEU A 90 1.191 -7.546 -3.165 1.00 53.53 H new ATOM 0 HG LEU A 90 1.816 -8.112 -6.071 1.00 33.22 H new ATOM 0 HD11 LEU A 90 3.925 -6.833 -5.608 1.00 53.31 H new ATOM 0 HD12 LEU A 90 2.476 -5.828 -5.371 1.00 53.31 H new ATOM 0 HD13 LEU A 90 3.336 -6.495 -3.963 1.00 53.31 H new ATOM 0 HD21 LEU A 90 3.878 -9.226 -5.233 1.00 24.22 H new ATOM 0 HD22 LEU A 90 3.307 -8.995 -3.563 1.00 24.22 H new ATOM 0 HD23 LEU A 90 2.400 -10.047 -4.676 1.00 24.22 H new ATOM 1434 N ASN A 91 -1.005 -9.219 -1.985 1.00 14.02 N ATOM 1435 CA ASN A 91 -1.987 -8.998 -0.933 1.00 72.34 C ATOM 1436 C ASN A 91 -1.862 -7.561 -0.439 1.00 11.33 C ATOM 1437 O ASN A 91 -0.791 -7.142 0.013 1.00 34.35 O ATOM 1438 CB ASN A 91 -1.810 -9.987 0.224 1.00 22.33 C ATOM 1439 CG ASN A 91 -3.146 -10.225 0.922 1.00 44.21 C ATOM 1440 OD1 ASN A 91 -4.036 -9.385 0.930 1.00 2.54 O ATOM 1441 ND2 ASN A 91 -3.319 -11.393 1.502 1.00 10.34 N ATOM 0 H ASN A 91 -0.179 -9.739 -1.689 1.00 14.02 H new ATOM 0 HA ASN A 91 -2.984 -9.164 -1.341 1.00 72.34 H new ATOM 0 HB2 ASN A 91 -1.414 -10.931 -0.152 1.00 22.33 H new ATOM 0 HB3 ASN A 91 -1.083 -9.598 0.937 1.00 22.33 H new ATOM 0 HD21 ASN A 91 -4.202 -11.607 1.965 1.00 10.34 H new ATOM 0 HD22 ASN A 91 -2.570 -12.085 1.489 1.00 10.34 H new ATOM 1448 N ILE A 92 -2.929 -6.782 -0.560 1.00 63.13 N ATOM 1449 CA ILE A 92 -3.035 -5.450 0.005 1.00 24.34 C ATOM 1450 C ILE A 92 -3.396 -5.666 1.467 1.00 74.33 C ATOM 1451 O ILE A 92 -4.544 -5.988 1.778 1.00 62.41 O ATOM 1452 CB ILE A 92 -4.109 -4.612 -0.734 1.00 34.54 C ATOM 1453 CG1 ILE A 92 -3.753 -4.533 -2.234 1.00 23.43 C ATOM 1454 CG2 ILE A 92 -4.282 -3.204 -0.118 1.00 53.02 C ATOM 1455 CD1 ILE A 92 -4.758 -3.738 -3.071 1.00 20.44 C ATOM 0 H ILE A 92 -3.765 -7.070 -1.068 1.00 63.13 H new ATOM 0 HA ILE A 92 -2.107 -4.888 -0.098 1.00 24.34 H new ATOM 0 HB ILE A 92 -5.071 -5.111 -0.620 1.00 34.54 H new ATOM 0 HG12 ILE A 92 -2.768 -4.079 -2.340 1.00 23.43 H new ATOM 0 HG13 ILE A 92 -3.682 -5.545 -2.634 1.00 23.43 H new ATOM 0 HG21 ILE A 92 -5.045 -2.656 -0.671 1.00 53.02 H new ATOM 0 HG22 ILE A 92 -4.586 -3.298 0.924 1.00 53.02 H new ATOM 0 HG23 ILE A 92 -3.337 -2.664 -0.173 1.00 53.02 H new ATOM 0 HD11 ILE A 92 -4.437 -3.729 -4.113 1.00 20.44 H new ATOM 0 HD12 ILE A 92 -5.741 -4.203 -2.998 1.00 20.44 H new ATOM 0 HD13 ILE A 92 -4.812 -2.715 -2.699 1.00 20.44 H new ATOM 1467 N LEU A 93 -2.424 -5.516 2.362 1.00 34.24 N ATOM 1468 CA LEU A 93 -2.694 -5.460 3.789 1.00 1.41 C ATOM 1469 C LEU A 93 -2.889 -3.996 4.202 1.00 34.31 C ATOM 1470 O LEU A 93 -2.524 -3.065 3.472 1.00 24.13 O ATOM 1471 CB LEU A 93 -1.561 -6.140 4.574 1.00 72.43 C ATOM 1472 CG LEU A 93 -1.703 -7.672 4.743 1.00 33.32 C ATOM 1473 CD1 LEU A 93 -1.980 -8.423 3.452 1.00 63.44 C ATOM 1474 CD2 LEU A 93 -0.417 -8.224 5.364 1.00 22.02 C ATOM 0 H LEU A 93 -1.437 -5.431 2.119 1.00 34.24 H new ATOM 0 HA LEU A 93 -3.609 -6.005 4.021 1.00 1.41 H new ATOM 0 HB2 LEU A 93 -0.617 -5.932 4.071 1.00 72.43 H new ATOM 0 HB3 LEU A 93 -1.502 -5.685 5.563 1.00 72.43 H new ATOM 0 HG LEU A 93 -2.571 -7.828 5.384 1.00 33.32 H new ATOM 0 HD11 LEU A 93 -2.065 -9.489 3.662 1.00 63.44 H new ATOM 0 HD12 LEU A 93 -2.912 -8.064 3.015 1.00 63.44 H new ATOM 0 HD13 LEU A 93 -1.162 -8.255 2.751 1.00 63.44 H new ATOM 0 HD21 LEU A 93 -0.507 -9.303 5.487 1.00 22.02 H new ATOM 0 HD22 LEU A 93 0.427 -8.002 4.711 1.00 22.02 H new ATOM 0 HD23 LEU A 93 -0.254 -7.760 6.337 1.00 22.02 H new ATOM 1486 N ASP A 94 -3.488 -3.784 5.364 1.00 33.04 N ATOM 1487 CA ASP A 94 -3.630 -2.475 5.993 1.00 43.12 C ATOM 1488 C ASP A 94 -2.457 -2.226 6.949 1.00 41.22 C ATOM 1489 O ASP A 94 -1.484 -2.986 6.975 1.00 14.44 O ATOM 1490 CB ASP A 94 -4.976 -2.367 6.722 1.00 41.00 C ATOM 1491 CG ASP A 94 -4.901 -2.931 8.138 1.00 62.11 C ATOM 1492 OD1 ASP A 94 -4.474 -4.085 8.306 1.00 65.12 O ATOM 1493 OD2 ASP A 94 -5.119 -2.172 9.103 1.00 33.24 O ATOM 0 H ASP A 94 -3.901 -4.538 5.913 1.00 33.04 H new ATOM 0 HA ASP A 94 -3.613 -1.706 5.221 1.00 43.12 H new ATOM 0 HB2 ASP A 94 -5.284 -1.322 6.763 1.00 41.00 H new ATOM 0 HB3 ASP A 94 -5.739 -2.903 6.157 1.00 41.00 H new ATOM 1498 N ALA A 95 -2.566 -1.160 7.746 1.00 4.20 N ATOM 1499 CA ALA A 95 -1.598 -0.795 8.768 1.00 62.24 C ATOM 1500 C ALA A 95 -1.391 -1.903 9.799 1.00 45.20 C ATOM 1501 O ALA A 95 -0.279 -2.054 10.319 1.00 52.11 O ATOM 1502 CB ALA A 95 -2.047 0.481 9.491 1.00 22.44 C ATOM 0 H ALA A 95 -3.353 -0.514 7.692 1.00 4.20 H new ATOM 0 HA ALA A 95 -0.650 -0.629 8.257 1.00 62.24 H new ATOM 0 HB1 ALA A 95 -1.314 0.744 10.254 1.00 22.44 H new ATOM 0 HB2 ALA A 95 -2.131 1.296 8.772 1.00 22.44 H new ATOM 0 HB3 ALA A 95 -3.015 0.311 9.962 1.00 22.44 H new ATOM 1508 N GLU A 96 -2.437 -2.646 10.151 1.00 22.31 N ATOM 1509 CA GLU A 96 -2.335 -3.760 11.083 1.00 64.13 C ATOM 1510 C GLU A 96 -1.678 -4.963 10.405 1.00 54.11 C ATOM 1511 O GLU A 96 -0.862 -5.633 11.034 1.00 72.24 O ATOM 1512 CB GLU A 96 -3.726 -4.130 11.628 1.00 64.42 C ATOM 1513 CG GLU A 96 -4.307 -2.969 12.456 1.00 4.35 C ATOM 1514 CD GLU A 96 -5.603 -3.345 13.182 1.00 40.34 C ATOM 1515 OE1 GLU A 96 -6.473 -4.061 12.621 1.00 71.54 O ATOM 1516 OE2 GLU A 96 -5.781 -2.882 14.324 1.00 12.11 O ATOM 0 H GLU A 96 -3.380 -2.490 9.796 1.00 22.31 H new ATOM 0 HA GLU A 96 -1.709 -3.458 11.923 1.00 64.13 H new ATOM 0 HB2 GLU A 96 -4.396 -4.366 10.801 1.00 64.42 H new ATOM 0 HB3 GLU A 96 -3.655 -5.025 12.246 1.00 64.42 H new ATOM 0 HG2 GLU A 96 -3.567 -2.645 13.188 1.00 4.35 H new ATOM 0 HG3 GLU A 96 -4.498 -2.120 11.799 1.00 4.35 H new ATOM 1523 N GLY A 97 -1.970 -5.226 9.131 1.00 65.12 N ATOM 1524 CA GLY A 97 -1.622 -6.484 8.472 1.00 40.04 C ATOM 1525 C GLY A 97 -2.835 -7.380 8.222 1.00 1.02 C ATOM 1526 O GLY A 97 -2.695 -8.595 8.077 1.00 61.41 O ATOM 0 H GLY A 97 -2.458 -4.567 8.524 1.00 65.12 H new ATOM 0 HA2 GLY A 97 -1.134 -6.268 7.521 1.00 40.04 H new ATOM 0 HA3 GLY A 97 -0.899 -7.022 9.086 1.00 40.04 H new ATOM 1530 N ASN A 98 -4.036 -6.810 8.193 1.00 10.45 N ATOM 1531 CA ASN A 98 -5.242 -7.473 7.723 1.00 3.11 C ATOM 1532 C ASN A 98 -5.322 -7.297 6.213 1.00 23.41 C ATOM 1533 O ASN A 98 -5.172 -6.183 5.718 1.00 55.34 O ATOM 1534 CB ASN A 98 -6.487 -6.835 8.340 1.00 23.00 C ATOM 1535 CG ASN A 98 -6.466 -6.810 9.858 1.00 3.42 C ATOM 1536 OD1 ASN A 98 -6.081 -7.782 10.500 1.00 73.14 O ATOM 1537 ND2 ASN A 98 -6.916 -5.718 10.444 1.00 70.23 N ATOM 0 H ASN A 98 -4.198 -5.852 8.503 1.00 10.45 H new ATOM 0 HA ASN A 98 -5.202 -8.525 8.005 1.00 3.11 H new ATOM 0 HB2 ASN A 98 -6.584 -5.815 7.969 1.00 23.00 H new ATOM 0 HB3 ASN A 98 -7.369 -7.381 8.006 1.00 23.00 H new ATOM 0 HD21 ASN A 98 -6.952 -5.663 11.462 1.00 70.23 H new ATOM 0 HD22 ASN A 98 -7.228 -4.928 9.879 1.00 70.23 H new ATOM 1544 N SER A 99 -5.573 -8.381 5.486 1.00 50.34 N ATOM 1545 CA SER A 99 -5.817 -8.365 4.049 1.00 4.35 C ATOM 1546 C SER A 99 -7.130 -7.636 3.727 1.00 41.52 C ATOM 1547 O SER A 99 -8.207 -8.039 4.186 1.00 4.35 O ATOM 1548 CB SER A 99 -5.765 -9.801 3.511 1.00 32.44 C ATOM 1549 OG SER A 99 -6.536 -10.715 4.283 1.00 12.34 O ATOM 0 H SER A 99 -5.613 -9.317 5.890 1.00 50.34 H new ATOM 0 HA SER A 99 -5.036 -7.800 3.540 1.00 4.35 H new ATOM 0 HB2 SER A 99 -6.125 -9.810 2.482 1.00 32.44 H new ATOM 0 HB3 SER A 99 -4.728 -10.137 3.489 1.00 32.44 H new ATOM 0 HG SER A 99 -6.467 -11.612 3.893 1.00 12.34 H new ATOM 1555 N ILE A 100 -7.055 -6.568 2.936 1.00 53.31 N ATOM 1556 CA ILE A 100 -8.150 -5.686 2.538 1.00 41.40 C ATOM 1557 C ILE A 100 -8.188 -5.574 1.003 1.00 32.42 C ATOM 1558 O ILE A 100 -7.567 -6.363 0.287 1.00 53.01 O ATOM 1559 CB ILE A 100 -8.033 -4.315 3.261 1.00 65.04 C ATOM 1560 CG1 ILE A 100 -6.679 -3.615 2.991 1.00 34.41 C ATOM 1561 CG2 ILE A 100 -8.304 -4.469 4.767 1.00 65.32 C ATOM 1562 CD1 ILE A 100 -6.709 -2.109 3.277 1.00 50.31 C ATOM 0 H ILE A 100 -6.167 -6.276 2.528 1.00 53.31 H new ATOM 0 HA ILE A 100 -9.107 -6.106 2.848 1.00 41.40 H new ATOM 0 HB ILE A 100 -8.800 -3.663 2.843 1.00 65.04 H new ATOM 0 HG12 ILE A 100 -5.908 -4.080 3.606 1.00 34.41 H new ATOM 0 HG13 ILE A 100 -6.396 -3.775 1.951 1.00 34.41 H new ATOM 0 HG21 ILE A 100 -8.217 -3.498 5.254 1.00 65.32 H new ATOM 0 HG22 ILE A 100 -9.310 -4.861 4.917 1.00 65.32 H new ATOM 0 HG23 ILE A 100 -7.578 -5.157 5.199 1.00 65.32 H new ATOM 0 HD11 ILE A 100 -5.729 -1.679 3.068 1.00 50.31 H new ATOM 0 HD12 ILE A 100 -7.457 -1.633 2.643 1.00 50.31 H new ATOM 0 HD13 ILE A 100 -6.962 -1.942 4.324 1.00 50.31 H new ATOM 1574 N ASP A 101 -8.960 -4.618 0.486 1.00 2.22 N ATOM 1575 CA ASP A 101 -9.077 -4.294 -0.930 1.00 63.22 C ATOM 1576 C ASP A 101 -8.668 -2.847 -1.123 1.00 1.34 C ATOM 1577 O ASP A 101 -8.786 -2.032 -0.210 1.00 15.45 O ATOM 1578 CB ASP A 101 -10.527 -4.429 -1.406 1.00 1.35 C ATOM 1579 CG ASP A 101 -10.903 -5.849 -1.829 1.00 50.14 C ATOM 1580 OD1 ASP A 101 -10.482 -6.240 -2.938 1.00 43.01 O ATOM 1581 OD2 ASP A 101 -11.664 -6.515 -1.082 1.00 51.01 O ATOM 0 H ASP A 101 -9.546 -4.023 1.072 1.00 2.22 H new ATOM 0 HA ASP A 101 -8.444 -4.977 -1.496 1.00 63.22 H new ATOM 0 HB2 ASP A 101 -11.194 -4.109 -0.606 1.00 1.35 H new ATOM 0 HB3 ASP A 101 -10.689 -3.754 -2.246 1.00 1.35 H new ATOM 1586 N ALA A 102 -8.309 -2.497 -2.354 1.00 62.44 N ATOM 1587 CA ALA A 102 -7.963 -1.128 -2.725 1.00 75.04 C ATOM 1588 C ALA A 102 -9.167 -0.190 -2.578 1.00 32.55 C ATOM 1589 O ALA A 102 -9.006 1.002 -2.310 1.00 2.34 O ATOM 1590 CB ALA A 102 -7.446 -1.100 -4.166 1.00 71.12 C ATOM 0 H ALA A 102 -8.249 -3.159 -3.128 1.00 62.44 H new ATOM 0 HA ALA A 102 -7.182 -0.777 -2.051 1.00 75.04 H new ATOM 0 HB1 ALA A 102 -7.189 -0.077 -4.440 1.00 71.12 H new ATOM 0 HB2 ALA A 102 -6.561 -1.731 -4.247 1.00 71.12 H new ATOM 0 HB3 ALA A 102 -8.220 -1.472 -4.838 1.00 71.12 H new ATOM 1596 N ALA A 103 -10.380 -0.723 -2.736 1.00 43.22 N ATOM 1597 CA ALA A 103 -11.632 -0.016 -2.521 1.00 12.01 C ATOM 1598 C ALA A 103 -11.841 0.390 -1.058 1.00 61.00 C ATOM 1599 O ALA A 103 -12.644 1.276 -0.784 1.00 62.14 O ATOM 1600 CB ALA A 103 -12.768 -0.934 -2.954 1.00 42.42 C ATOM 0 H ALA A 103 -10.516 -1.691 -3.027 1.00 43.22 H new ATOM 0 HA ALA A 103 -11.609 0.904 -3.105 1.00 12.01 H new ATOM 0 HB1 ALA A 103 -13.722 -0.428 -2.803 1.00 42.42 H new ATOM 0 HB2 ALA A 103 -12.652 -1.184 -4.009 1.00 42.42 H new ATOM 0 HB3 ALA A 103 -12.744 -1.848 -2.360 1.00 42.42 H new ATOM 1606 N GLN A 104 -11.137 -0.230 -0.107 1.00 54.13 N ATOM 1607 CA GLN A 104 -11.164 0.152 1.303 1.00 54.41 C ATOM 1608 C GLN A 104 -10.085 1.195 1.628 1.00 40.51 C ATOM 1609 O GLN A 104 -9.850 1.489 2.800 1.00 23.10 O ATOM 1610 CB GLN A 104 -11.054 -1.105 2.178 1.00 53.22 C ATOM 1611 CG GLN A 104 -12.311 -1.984 2.048 1.00 63.13 C ATOM 1612 CD GLN A 104 -12.445 -2.964 3.211 1.00 31.25 C ATOM 1613 OE1 GLN A 104 -12.444 -2.565 4.369 1.00 30.42 O ATOM 1614 NE2 GLN A 104 -12.592 -4.250 2.953 1.00 62.03 N ATOM 0 H GLN A 104 -10.524 -1.022 -0.300 1.00 54.13 H new ATOM 0 HA GLN A 104 -12.117 0.634 1.524 1.00 54.41 H new ATOM 0 HB2 GLN A 104 -10.174 -1.678 1.887 1.00 53.22 H new ATOM 0 HB3 GLN A 104 -10.915 -0.815 3.220 1.00 53.22 H new ATOM 0 HG2 GLN A 104 -13.195 -1.348 2.006 1.00 63.13 H new ATOM 0 HG3 GLN A 104 -12.271 -2.538 1.110 1.00 63.13 H new ATOM 0 HE21 GLN A 104 -12.593 -4.580 1.988 1.00 62.03 H new ATOM 0 HE22 GLN A 104 -12.705 -4.914 3.719 1.00 62.03 H new ATOM 1623 N VAL A 105 -9.442 1.760 0.604 1.00 62.21 N ATOM 1624 CA VAL A 105 -8.407 2.773 0.717 1.00 4.32 C ATOM 1625 C VAL A 105 -8.770 3.984 -0.148 1.00 5.21 C ATOM 1626 O VAL A 105 -8.607 5.126 0.273 1.00 22.33 O ATOM 1627 CB VAL A 105 -7.050 2.169 0.298 1.00 41.44 C ATOM 1628 CG1 VAL A 105 -5.900 3.097 0.683 1.00 11.32 C ATOM 1629 CG2 VAL A 105 -6.771 0.777 0.891 1.00 45.42 C ATOM 0 H VAL A 105 -9.641 1.509 -0.364 1.00 62.21 H new ATOM 0 HA VAL A 105 -8.328 3.110 1.751 1.00 4.32 H new ATOM 0 HB VAL A 105 -7.116 2.057 -0.784 1.00 41.44 H new ATOM 0 HG11 VAL A 105 -4.954 2.650 0.378 1.00 11.32 H new ATOM 0 HG12 VAL A 105 -6.025 4.058 0.184 1.00 11.32 H new ATOM 0 HG13 VAL A 105 -5.899 3.246 1.763 1.00 11.32 H new ATOM 0 HG21 VAL A 105 -5.799 0.424 0.548 1.00 45.42 H new ATOM 0 HG22 VAL A 105 -6.772 0.838 1.979 1.00 45.42 H new ATOM 0 HG23 VAL A 105 -7.545 0.081 0.566 1.00 45.42 H new ATOM 1639 N THR A 106 -9.229 3.781 -1.381 1.00 24.32 N ATOM 1640 CA THR A 106 -9.306 4.850 -2.381 1.00 65.42 C ATOM 1641 C THR A 106 -10.510 5.789 -2.199 1.00 20.24 C ATOM 1642 O THR A 106 -10.616 6.774 -2.932 1.00 62.30 O ATOM 1643 CB THR A 106 -9.230 4.257 -3.806 1.00 24.51 C ATOM 1644 OG1 THR A 106 -9.907 3.009 -3.910 1.00 0.25 O ATOM 1645 CG2 THR A 106 -7.775 4.040 -4.242 1.00 60.10 C ATOM 0 H THR A 106 -9.557 2.876 -1.717 1.00 24.32 H new ATOM 0 HA THR A 106 -8.438 5.490 -2.226 1.00 65.42 H new ATOM 0 HB THR A 106 -9.716 4.985 -4.455 1.00 24.51 H new ATOM 0 HG1 THR A 106 -9.416 2.327 -3.406 1.00 0.25 H new ATOM 0 HG21 THR A 106 -7.755 3.622 -5.248 1.00 60.10 H new ATOM 0 HG22 THR A 106 -7.247 4.994 -4.235 1.00 60.10 H new ATOM 0 HG23 THR A 106 -7.288 3.350 -3.553 1.00 60.10 H new