USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=18 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 Set 1.1: A 16 GLN : amide:sc= -1.14! C(o=-0.33!,f=-5.1!) USER MOD Set 1.2: A 91 ASN : amide:sc= 0.812 K(o=-0.33,f=-3.8!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot -160:sc= 0.149 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0.105 USER MOD Single : A 34 MET CE :methyl 171:sc= -0.783 (180deg=-1.06) USER MOD Single : A 35 CYS SG : rot 96:sc= 0.0699! USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 82:sc= 1.28 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot -120:sc= 1.27 USER MOD Single : A 50 SER OG : rot 100:sc= 0.411 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 68:sc= -0.45 USER MOD Single : A 69 LYS NZ :NH3+ -158:sc= 0.448 (180deg=0.217) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0.276 K(o=0.28,f=-5.8!) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 82 MET CE :methyl -177:sc= -1.67 (180deg=-1.75) USER MOD Single : A 83 HIS : no HD1:sc= -0.0743 X(o=-0.074,f=-0.47) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 1.01 X(o=1,f=0.92) USER MOD Single : A 89 GLN : amide:sc= 0.986 K(o=0.99,f=-0.058) USER MOD Single : A 98 ASN : amide:sc= -0.0194 X(o=-0.019,f=-0.13) USER MOD Single : A 99 SER OG : rot 35:sc= 0.0549 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.0104 USER MOD ----------------------------------------------------------------- ATOM 115 N ILE A 10 -7.080 5.225 10.096 1.00 4.04 N ATOM 116 CA ILE A 10 -5.896 4.678 9.452 1.00 0.23 C ATOM 117 C ILE A 10 -5.356 5.648 8.398 1.00 63.10 C ATOM 118 O ILE A 10 -6.123 6.197 7.604 1.00 45.14 O ATOM 119 CB ILE A 10 -6.260 3.294 8.866 1.00 11.13 C ATOM 120 CG1 ILE A 10 -6.372 2.272 10.022 1.00 61.21 C ATOM 121 CG2 ILE A 10 -5.223 2.861 7.826 1.00 73.24 C ATOM 122 CD1 ILE A 10 -6.884 0.882 9.628 1.00 44.51 C ATOM 0 HA ILE A 10 -5.091 4.545 10.174 1.00 0.23 H new ATOM 0 HB ILE A 10 -7.221 3.349 8.355 1.00 11.13 H new ATOM 0 HG12 ILE A 10 -5.390 2.161 10.482 1.00 61.21 H new ATOM 0 HG13 ILE A 10 -7.036 2.682 10.783 1.00 61.21 H new ATOM 0 HG21 ILE A 10 -5.496 1.885 7.425 1.00 73.24 H new ATOM 0 HG22 ILE A 10 -5.193 3.591 7.017 1.00 73.24 H new ATOM 0 HG23 ILE A 10 -4.241 2.799 8.295 1.00 73.24 H new ATOM 0 HD11 ILE A 10 -6.924 0.245 10.512 1.00 44.51 H new ATOM 0 HD12 ILE A 10 -7.882 0.970 9.199 1.00 44.51 H new ATOM 0 HD13 ILE A 10 -6.211 0.441 8.893 1.00 44.51 H new ATOM 134 N LYS A 11 -4.025 5.813 8.369 1.00 70.14 N ATOM 135 CA LYS A 11 -3.284 6.594 7.377 1.00 74.43 C ATOM 136 C LYS A 11 -2.051 5.843 6.860 1.00 73.44 C ATOM 137 O LYS A 11 -1.071 6.474 6.466 1.00 53.30 O ATOM 138 CB LYS A 11 -2.890 7.972 7.943 1.00 41.02 C ATOM 139 CG LYS A 11 -4.053 8.800 8.490 1.00 11.43 C ATOM 140 CD LYS A 11 -5.055 9.255 7.420 1.00 61.22 C ATOM 141 CE LYS A 11 -6.297 9.863 8.075 1.00 1.04 C ATOM 142 NZ LYS A 11 -6.024 11.167 8.708 1.00 55.45 N ATOM 0 H LYS A 11 -3.414 5.387 9.066 1.00 70.14 H new ATOM 0 HA LYS A 11 -3.949 6.749 6.527 1.00 74.43 H new ATOM 0 HB2 LYS A 11 -2.161 7.826 8.740 1.00 41.02 H new ATOM 0 HB3 LYS A 11 -2.394 8.543 7.158 1.00 41.02 H new ATOM 0 HG2 LYS A 11 -4.581 8.213 9.241 1.00 11.43 H new ATOM 0 HG3 LYS A 11 -3.653 9.679 8.996 1.00 11.43 H new ATOM 0 HD2 LYS A 11 -4.587 9.988 6.763 1.00 61.22 H new ATOM 0 HD3 LYS A 11 -5.342 8.407 6.798 1.00 61.22 H new ATOM 0 HE2 LYS A 11 -7.077 9.984 7.323 1.00 1.04 H new ATOM 0 HE3 LYS A 11 -6.682 9.173 8.825 1.00 1.04 H new ATOM 0 HZ1 LYS A 11 -6.898 11.535 9.136 1.00 55.45 H new ATOM 0 HZ2 LYS A 11 -5.300 11.050 9.445 1.00 55.45 H new ATOM 0 HZ3 LYS A 11 -5.682 11.837 7.990 1.00 55.45 H new ATOM 156 N GLU A 12 -2.055 4.515 6.823 1.00 15.11 N ATOM 157 CA GLU A 12 -1.002 3.748 6.156 1.00 30.33 C ATOM 158 C GLU A 12 -1.613 2.467 5.594 1.00 73.31 C ATOM 159 O GLU A 12 -2.630 2.008 6.099 1.00 13.34 O ATOM 160 CB GLU A 12 0.135 3.479 7.170 1.00 21.14 C ATOM 161 CG GLU A 12 1.335 2.713 6.596 1.00 1.14 C ATOM 162 CD GLU A 12 2.511 2.647 7.576 1.00 34.03 C ATOM 163 OE1 GLU A 12 2.576 1.705 8.397 1.00 62.02 O ATOM 164 OE2 GLU A 12 3.436 3.486 7.467 1.00 54.21 O ATOM 0 H GLU A 12 -2.781 3.941 7.250 1.00 15.11 H new ATOM 0 HA GLU A 12 -0.569 4.298 5.320 1.00 30.33 H new ATOM 0 HB2 GLU A 12 0.485 4.433 7.565 1.00 21.14 H new ATOM 0 HB3 GLU A 12 -0.271 2.915 8.010 1.00 21.14 H new ATOM 0 HG2 GLU A 12 1.025 1.701 6.336 1.00 1.14 H new ATOM 0 HG3 GLU A 12 1.661 3.193 5.674 1.00 1.14 H new ATOM 171 N ILE A 13 -0.989 1.887 4.573 1.00 62.42 N ATOM 172 CA ILE A 13 -1.301 0.573 4.019 1.00 4.12 C ATOM 173 C ILE A 13 0.023 -0.171 3.817 1.00 35.02 C ATOM 174 O ILE A 13 1.098 0.443 3.859 1.00 41.30 O ATOM 175 CB ILE A 13 -2.080 0.724 2.694 1.00 55.01 C ATOM 176 CG1 ILE A 13 -1.324 1.634 1.704 1.00 55.43 C ATOM 177 CG2 ILE A 13 -3.490 1.257 2.961 1.00 41.24 C ATOM 178 CD1 ILE A 13 -1.529 1.216 0.253 1.00 4.41 C ATOM 0 H ILE A 13 -0.216 2.341 4.087 1.00 62.42 H new ATOM 0 HA ILE A 13 -1.938 0.004 4.697 1.00 4.12 H new ATOM 0 HB ILE A 13 -2.166 -0.261 2.236 1.00 55.01 H new ATOM 0 HG12 ILE A 13 -1.659 2.663 1.833 1.00 55.43 H new ATOM 0 HG13 ILE A 13 -0.259 1.614 1.937 1.00 55.43 H new ATOM 0 HG21 ILE A 13 -4.026 1.358 2.017 1.00 41.24 H new ATOM 0 HG22 ILE A 13 -4.025 0.563 3.609 1.00 41.24 H new ATOM 0 HG23 ILE A 13 -3.425 2.231 3.447 1.00 41.24 H new ATOM 0 HD11 ILE A 13 -0.975 1.889 -0.401 1.00 4.41 H new ATOM 0 HD12 ILE A 13 -1.169 0.197 0.114 1.00 4.41 H new ATOM 0 HD13 ILE A 13 -2.590 1.262 0.007 1.00 4.41 H new ATOM 190 N ILE A 14 -0.026 -1.481 3.568 1.00 13.53 N ATOM 191 CA ILE A 14 1.162 -2.304 3.384 1.00 42.50 C ATOM 192 C ILE A 14 0.908 -3.217 2.202 1.00 44.43 C ATOM 193 O ILE A 14 0.115 -4.148 2.290 1.00 0.31 O ATOM 194 CB ILE A 14 1.521 -3.065 4.687 1.00 4.50 C ATOM 195 CG1 ILE A 14 1.945 -2.018 5.744 1.00 22.31 C ATOM 196 CG2 ILE A 14 2.608 -4.144 4.447 1.00 22.31 C ATOM 197 CD1 ILE A 14 2.485 -2.580 7.053 1.00 50.33 C ATOM 0 H ILE A 14 -0.900 -2.001 3.489 1.00 13.53 H new ATOM 0 HA ILE A 14 2.036 -1.690 3.168 1.00 42.50 H new ATOM 0 HB ILE A 14 0.653 -3.615 5.051 1.00 4.50 H new ATOM 0 HG12 ILE A 14 2.707 -1.374 5.305 1.00 22.31 H new ATOM 0 HG13 ILE A 14 1.085 -1.387 5.968 1.00 22.31 H new ATOM 0 HG21 ILE A 14 2.829 -4.653 5.385 1.00 22.31 H new ATOM 0 HG22 ILE A 14 2.246 -4.869 3.718 1.00 22.31 H new ATOM 0 HG23 ILE A 14 3.514 -3.670 4.069 1.00 22.31 H new ATOM 0 HD11 ILE A 14 2.751 -1.759 7.719 1.00 50.33 H new ATOM 0 HD12 ILE A 14 1.722 -3.198 7.526 1.00 50.33 H new ATOM 0 HD13 ILE A 14 3.369 -3.185 6.852 1.00 50.33 H new ATOM 209 N ILE A 15 1.602 -2.978 1.092 1.00 45.43 N ATOM 210 CA ILE A 15 1.662 -3.975 0.038 1.00 1.23 C ATOM 211 C ILE A 15 2.587 -5.063 0.577 1.00 53.43 C ATOM 212 O ILE A 15 3.790 -4.841 0.758 1.00 30.42 O ATOM 213 CB ILE A 15 2.122 -3.400 -1.312 1.00 53.52 C ATOM 214 CG1 ILE A 15 1.250 -2.194 -1.731 1.00 22.54 C ATOM 215 CG2 ILE A 15 1.983 -4.533 -2.348 1.00 23.40 C ATOM 216 CD1 ILE A 15 1.882 -1.354 -2.841 1.00 71.12 C ATOM 0 H ILE A 15 2.120 -2.119 0.905 1.00 45.43 H new ATOM 0 HA ILE A 15 0.674 -4.373 -0.192 1.00 1.23 H new ATOM 0 HB ILE A 15 3.150 -3.045 -1.242 1.00 53.52 H new ATOM 0 HG12 ILE A 15 0.278 -2.555 -2.066 1.00 22.54 H new ATOM 0 HG13 ILE A 15 1.073 -1.562 -0.861 1.00 22.54 H new ATOM 0 HG21 ILE A 15 2.299 -4.172 -3.327 1.00 23.40 H new ATOM 0 HG22 ILE A 15 2.609 -5.375 -2.052 1.00 23.40 H new ATOM 0 HG23 ILE A 15 0.943 -4.854 -2.398 1.00 23.40 H new ATOM 0 HD11 ILE A 15 1.221 -0.524 -3.090 1.00 71.12 H new ATOM 0 HD12 ILE A 15 2.842 -0.965 -2.501 1.00 71.12 H new ATOM 0 HD13 ILE A 15 2.034 -1.974 -3.725 1.00 71.12 H new ATOM 228 N GLN A 16 2.028 -6.214 0.929 1.00 63.21 N ATOM 229 CA GLN A 16 2.815 -7.346 1.366 1.00 25.15 C ATOM 230 C GLN A 16 3.676 -7.847 0.197 1.00 73.24 C ATOM 231 O GLN A 16 3.288 -7.745 -0.965 1.00 53.51 O ATOM 232 CB GLN A 16 1.861 -8.427 1.880 1.00 20.24 C ATOM 233 CG GLN A 16 2.547 -9.364 2.879 1.00 20.21 C ATOM 234 CD GLN A 16 1.649 -10.486 3.383 1.00 5.24 C ATOM 235 OE1 GLN A 16 0.480 -10.600 3.036 1.00 65.11 O ATOM 236 NE2 GLN A 16 2.270 -11.415 4.080 1.00 1.00 N ATOM 0 H GLN A 16 1.022 -6.383 0.918 1.00 63.21 H new ATOM 0 HA GLN A 16 3.490 -7.068 2.175 1.00 25.15 H new ATOM 0 HB2 GLN A 16 1.001 -7.956 2.355 1.00 20.24 H new ATOM 0 HB3 GLN A 16 1.482 -9.007 1.039 1.00 20.24 H new ATOM 0 HG2 GLN A 16 3.428 -9.800 2.408 1.00 20.21 H new ATOM 0 HG3 GLN A 16 2.896 -8.780 3.730 1.00 20.21 H new ATOM 0 HE21 GLN A 16 3.245 -11.284 4.350 1.00 1.00 H new ATOM 0 HE22 GLN A 16 1.776 -12.266 4.349 1.00 1.00 H new ATOM 245 N GLY A 17 4.816 -8.484 0.483 1.00 40.11 N ATOM 246 CA GLY A 17 5.609 -9.203 -0.526 1.00 34.40 C ATOM 247 C GLY A 17 5.039 -10.591 -0.843 1.00 43.10 C ATOM 248 O GLY A 17 5.770 -11.476 -1.301 1.00 0.42 O ATOM 0 H GLY A 17 5.217 -8.517 1.420 1.00 40.11 H new ATOM 0 HA2 GLY A 17 5.648 -8.612 -1.441 1.00 34.40 H new ATOM 0 HA3 GLY A 17 6.634 -9.308 -0.171 1.00 34.40 H new ATOM 252 N LEU A 18 3.759 -10.795 -0.542 1.00 54.34 N ATOM 253 CA LEU A 18 2.990 -12.018 -0.682 1.00 54.14 C ATOM 254 C LEU A 18 1.885 -11.726 -1.679 1.00 4.33 C ATOM 255 O LEU A 18 1.459 -10.581 -1.820 1.00 2.11 O ATOM 256 CB LEU A 18 2.358 -12.405 0.675 1.00 44.03 C ATOM 257 CG LEU A 18 3.097 -13.422 1.550 1.00 14.33 C ATOM 258 CD1 LEU A 18 3.434 -14.657 0.872 1.00 32.32 C ATOM 259 CD2 LEU A 18 4.432 -12.878 2.003 1.00 12.34 C ATOM 0 H LEU A 18 3.189 -10.040 -0.161 1.00 54.34 H new ATOM 0 HA LEU A 18 3.626 -12.839 -1.013 1.00 54.14 H new ATOM 0 HB2 LEU A 18 2.233 -11.492 1.257 1.00 44.03 H new ATOM 0 HB3 LEU A 18 1.360 -12.797 0.479 1.00 44.03 H new ATOM 0 HG LEU A 18 2.399 -13.611 2.365 1.00 14.33 H new ATOM 0 HD11 LEU A 18 3.955 -15.321 1.562 1.00 32.32 H new ATOM 0 HD12 LEU A 18 2.522 -15.141 0.522 1.00 32.32 H new ATOM 0 HD13 LEU A 18 4.079 -14.440 0.021 1.00 32.32 H new ATOM 0 HD21 LEU A 18 4.936 -13.620 2.623 1.00 12.34 H new ATOM 0 HD22 LEU A 18 5.048 -12.654 1.132 1.00 12.34 H new ATOM 0 HD23 LEU A 18 4.276 -11.967 2.582 1.00 12.34 H new ATOM 271 N THR A 19 1.406 -12.765 -2.337 1.00 75.23 N ATOM 272 CA THR A 19 0.238 -12.701 -3.191 1.00 13.23 C ATOM 273 C THR A 19 -1.025 -12.599 -2.330 1.00 42.32 C ATOM 274 O THR A 19 -1.027 -12.951 -1.147 1.00 5.32 O ATOM 275 CB THR A 19 0.163 -13.936 -4.107 1.00 63.33 C ATOM 276 OG1 THR A 19 0.106 -15.126 -3.342 1.00 72.10 O ATOM 277 CG2 THR A 19 1.349 -14.069 -5.061 1.00 4.33 C ATOM 0 H THR A 19 1.826 -13.693 -2.291 1.00 75.23 H new ATOM 0 HA THR A 19 0.314 -11.816 -3.823 1.00 13.23 H new ATOM 0 HB THR A 19 -0.742 -13.791 -4.697 1.00 63.33 H new ATOM 0 HG1 THR A 19 0.375 -15.886 -3.899 1.00 72.10 H new ATOM 0 HG21 THR A 19 1.225 -14.962 -5.673 1.00 4.33 H new ATOM 0 HG22 THR A 19 1.398 -13.191 -5.705 1.00 4.33 H new ATOM 0 HG23 THR A 19 2.271 -14.149 -4.486 1.00 4.33 H new ATOM 285 N ARG A 20 -2.143 -12.249 -2.961 1.00 14.32 N ATOM 286 CA ARG A 20 -3.496 -12.389 -2.425 1.00 32.41 C ATOM 287 C ARG A 20 -3.775 -13.819 -1.944 1.00 33.41 C ATOM 288 O ARG A 20 -4.464 -13.995 -0.940 1.00 32.15 O ATOM 289 CB ARG A 20 -4.506 -11.879 -3.469 1.00 71.12 C ATOM 290 CG ARG A 20 -4.435 -12.546 -4.853 1.00 31.45 C ATOM 291 CD ARG A 20 -5.191 -11.715 -5.900 1.00 34.53 C ATOM 292 NE ARG A 20 -6.594 -12.116 -6.033 1.00 51.22 N ATOM 293 CZ ARG A 20 -7.292 -12.077 -7.173 1.00 25.20 C ATOM 294 NH1 ARG A 20 -6.822 -11.434 -8.241 1.00 21.22 N ATOM 295 NH2 ARG A 20 -8.460 -12.705 -7.229 1.00 71.33 N ATOM 0 H ARG A 20 -2.132 -11.844 -3.897 1.00 14.32 H new ATOM 0 HA ARG A 20 -3.603 -11.773 -1.532 1.00 32.41 H new ATOM 0 HB2 ARG A 20 -5.511 -12.017 -3.071 1.00 71.12 H new ATOM 0 HB3 ARG A 20 -4.358 -10.807 -3.596 1.00 71.12 H new ATOM 0 HG2 ARG A 20 -3.393 -12.658 -5.154 1.00 31.45 H new ATOM 0 HG3 ARG A 20 -4.861 -13.548 -4.801 1.00 31.45 H new ATOM 0 HD2 ARG A 20 -5.143 -10.661 -5.626 1.00 34.53 H new ATOM 0 HD3 ARG A 20 -4.695 -11.816 -6.865 1.00 34.53 H new ATOM 0 HE ARG A 20 -7.073 -12.449 -5.196 1.00 51.22 H new ATOM 0 HH11 ARG A 20 -5.918 -10.963 -8.196 1.00 21.22 H new ATOM 0 HH12 ARG A 20 -7.366 -11.413 -9.104 1.00 21.22 H new ATOM 0 HH21 ARG A 20 -8.810 -13.205 -6.412 1.00 71.33 H new ATOM 0 HH22 ARG A 20 -9.008 -12.687 -8.089 1.00 71.33 H new ATOM 309 N ALA A 21 -3.165 -14.838 -2.561 1.00 43.44 N ATOM 310 CA ALA A 21 -3.262 -16.232 -2.130 1.00 31.14 C ATOM 311 C ALA A 21 -2.518 -16.507 -0.817 1.00 61.42 C ATOM 312 O ALA A 21 -2.819 -17.480 -0.117 1.00 53.03 O ATOM 313 CB ALA A 21 -2.668 -17.125 -3.219 1.00 5.13 C ATOM 0 H ALA A 21 -2.581 -14.712 -3.388 1.00 43.44 H new ATOM 0 HA ALA A 21 -4.317 -16.445 -1.960 1.00 31.14 H new ATOM 0 HB1 ALA A 21 -2.734 -18.168 -2.910 1.00 5.13 H new ATOM 0 HB2 ALA A 21 -3.223 -16.985 -4.147 1.00 5.13 H new ATOM 0 HB3 ALA A 21 -1.623 -16.859 -3.378 1.00 5.13 H new ATOM 319 N GLY A 22 -1.528 -15.678 -0.490 1.00 21.34 N ATOM 320 CA GLY A 22 -0.698 -15.820 0.691 1.00 53.12 C ATOM 321 C GLY A 22 0.567 -16.622 0.417 1.00 23.10 C ATOM 322 O GLY A 22 1.030 -17.314 1.328 1.00 15.11 O ATOM 0 H GLY A 22 -1.279 -14.869 -1.059 1.00 21.34 H new ATOM 0 HA2 GLY A 22 -0.426 -14.832 1.061 1.00 53.12 H new ATOM 0 HA3 GLY A 22 -1.272 -16.309 1.479 1.00 53.12 H new ATOM 326 N LYS A 23 1.151 -16.550 -0.793 1.00 55.30 N ATOM 327 CA LYS A 23 2.533 -16.982 -1.002 1.00 4.10 C ATOM 328 C LYS A 23 3.409 -15.982 -1.743 1.00 43.02 C ATOM 329 O LYS A 23 2.877 -15.056 -2.334 1.00 1.14 O ATOM 330 CB LYS A 23 2.540 -18.254 -1.865 1.00 74.11 C ATOM 331 CG LYS A 23 2.415 -19.542 -1.051 1.00 10.14 C ATOM 332 CD LYS A 23 1.007 -20.141 -1.033 1.00 55.44 C ATOM 333 CE LYS A 23 1.038 -21.678 -0.974 1.00 41.33 C ATOM 334 NZ LYS A 23 1.575 -22.231 0.289 1.00 73.53 N ATOM 0 H LYS A 23 0.687 -16.199 -1.631 1.00 55.30 H new ATOM 0 HA LYS A 23 2.937 -17.120 0.001 1.00 4.10 H new ATOM 0 HB2 LYS A 23 1.718 -18.204 -2.580 1.00 74.11 H new ATOM 0 HB3 LYS A 23 3.464 -18.287 -2.443 1.00 74.11 H new ATOM 0 HG2 LYS A 23 3.107 -20.282 -1.454 1.00 10.14 H new ATOM 0 HG3 LYS A 23 2.725 -19.341 -0.025 1.00 10.14 H new ATOM 0 HD2 LYS A 23 0.460 -19.756 -0.173 1.00 55.44 H new ATOM 0 HD3 LYS A 23 0.466 -19.823 -1.924 1.00 55.44 H new ATOM 0 HE2 LYS A 23 0.026 -22.055 -1.120 1.00 41.33 H new ATOM 0 HE3 LYS A 23 1.640 -22.049 -1.804 1.00 41.33 H new ATOM 0 HZ1 LYS A 23 1.561 -23.270 0.247 1.00 73.53 H new ATOM 0 HZ2 LYS A 23 2.553 -21.903 0.424 1.00 73.53 H new ATOM 0 HZ3 LYS A 23 0.989 -21.909 1.086 1.00 73.53 H new ATOM 348 N PRO A 24 4.744 -16.089 -1.651 1.00 20.33 N ATOM 349 CA PRO A 24 5.603 -14.965 -1.977 1.00 1.44 C ATOM 350 C PRO A 24 5.744 -14.747 -3.472 1.00 64.15 C ATOM 351 O PRO A 24 5.526 -15.639 -4.299 1.00 63.20 O ATOM 352 CB PRO A 24 6.912 -15.200 -1.224 1.00 73.40 C ATOM 353 CG PRO A 24 6.938 -16.707 -0.988 1.00 75.03 C ATOM 354 CD PRO A 24 5.470 -17.085 -0.880 1.00 71.32 C ATOM 0 HA PRO A 24 5.171 -14.018 -1.653 1.00 1.44 H new ATOM 0 HB2 PRO A 24 7.772 -14.873 -1.808 1.00 73.40 H new ATOM 0 HB3 PRO A 24 6.936 -14.649 -0.284 1.00 73.40 H new ATOM 0 HG2 PRO A 24 7.426 -17.232 -1.809 1.00 75.03 H new ATOM 0 HG3 PRO A 24 7.484 -16.960 -0.079 1.00 75.03 H new ATOM 0 HD2 PRO A 24 5.295 -18.087 -1.273 1.00 71.32 H new ATOM 0 HD3 PRO A 24 5.143 -17.088 0.160 1.00 71.32 H new ATOM 362 N PHE A 25 6.098 -13.514 -3.814 1.00 62.43 N ATOM 363 CA PHE A 25 6.270 -13.046 -5.172 1.00 42.04 C ATOM 364 C PHE A 25 7.760 -12.825 -5.417 1.00 23.40 C ATOM 365 O PHE A 25 8.483 -12.478 -4.476 1.00 4.22 O ATOM 366 CB PHE A 25 5.475 -11.744 -5.290 1.00 61.13 C ATOM 367 CG PHE A 25 5.545 -11.116 -6.659 1.00 75.13 C ATOM 368 CD1 PHE A 25 4.707 -11.596 -7.680 1.00 33.24 C ATOM 369 CD2 PHE A 25 6.442 -10.063 -6.917 1.00 21.43 C ATOM 370 CE1 PHE A 25 4.765 -11.028 -8.961 1.00 32.50 C ATOM 371 CE2 PHE A 25 6.509 -9.512 -8.204 1.00 40.52 C ATOM 372 CZ PHE A 25 5.680 -9.998 -9.228 1.00 52.32 C ATOM 0 H PHE A 25 6.279 -12.788 -3.120 1.00 62.43 H new ATOM 0 HA PHE A 25 5.912 -13.759 -5.915 1.00 42.04 H new ATOM 0 HB2 PHE A 25 4.432 -11.941 -5.043 1.00 61.13 H new ATOM 0 HB3 PHE A 25 5.848 -11.032 -4.553 1.00 61.13 H new ATOM 0 HD1 PHE A 25 4.018 -12.403 -7.478 1.00 33.24 H new ATOM 0 HD2 PHE A 25 7.074 -9.682 -6.129 1.00 21.43 H new ATOM 0 HE1 PHE A 25 4.107 -11.383 -9.740 1.00 32.50 H new ATOM 0 HE2 PHE A 25 7.202 -8.709 -8.409 1.00 40.52 H new ATOM 0 HZ PHE A 25 5.747 -9.579 -10.221 1.00 52.32 H new ATOM 382 N ARG A 26 8.220 -12.989 -6.660 1.00 23.21 N ATOM 383 CA ARG A 26 9.565 -12.634 -7.085 1.00 1.24 C ATOM 384 C ARG A 26 9.452 -11.679 -8.277 1.00 41.33 C ATOM 385 O ARG A 26 8.536 -11.873 -9.079 1.00 11.44 O ATOM 386 CB ARG A 26 10.361 -13.886 -7.468 1.00 72.01 C ATOM 387 CG ARG A 26 10.465 -14.914 -6.327 1.00 43.14 C ATOM 388 CD ARG A 26 11.920 -15.289 -6.071 1.00 12.01 C ATOM 389 NE ARG A 26 12.468 -16.120 -7.150 1.00 61.25 N ATOM 390 CZ ARG A 26 13.725 -16.556 -7.258 1.00 51.42 C ATOM 391 NH1 ARG A 26 14.652 -16.209 -6.368 1.00 35.43 N ATOM 392 NH2 ARG A 26 14.029 -17.358 -8.269 1.00 24.21 N ATOM 0 H ARG A 26 7.651 -13.381 -7.410 1.00 23.21 H new ATOM 0 HA ARG A 26 10.097 -12.148 -6.267 1.00 1.24 H new ATOM 0 HB2 ARG A 26 9.890 -14.357 -8.331 1.00 72.01 H new ATOM 0 HB3 ARG A 26 11.365 -13.591 -7.774 1.00 72.01 H new ATOM 0 HG2 ARG A 26 10.025 -14.502 -5.419 1.00 43.14 H new ATOM 0 HG3 ARG A 26 9.894 -15.807 -6.582 1.00 43.14 H new ATOM 0 HD2 ARG A 26 12.517 -14.382 -5.972 1.00 12.01 H new ATOM 0 HD3 ARG A 26 11.996 -15.825 -5.125 1.00 12.01 H new ATOM 0 HE ARG A 26 11.823 -16.392 -7.892 1.00 61.25 H new ATOM 0 HH11 ARG A 26 14.407 -15.600 -5.587 1.00 35.43 H new ATOM 0 HH12 ARG A 26 15.608 -16.552 -6.467 1.00 35.43 H new ATOM 0 HH21 ARG A 26 13.310 -17.627 -8.940 1.00 24.21 H new ATOM 0 HH22 ARG A 26 14.982 -17.706 -8.375 1.00 24.21 H new ATOM 406 N PRO A 27 10.371 -10.717 -8.458 1.00 62.55 N ATOM 407 CA PRO A 27 11.567 -10.532 -7.652 1.00 10.35 C ATOM 408 C PRO A 27 11.213 -9.978 -6.273 1.00 5.21 C ATOM 409 O PRO A 27 10.421 -9.048 -6.153 1.00 0.21 O ATOM 410 CB PRO A 27 12.434 -9.553 -8.444 1.00 24.41 C ATOM 411 CG PRO A 27 11.430 -8.735 -9.254 1.00 31.15 C ATOM 412 CD PRO A 27 10.335 -9.758 -9.553 1.00 72.15 C ATOM 0 HA PRO A 27 12.089 -11.471 -7.470 1.00 10.35 H new ATOM 0 HB2 PRO A 27 13.024 -8.918 -7.783 1.00 24.41 H new ATOM 0 HB3 PRO A 27 13.136 -10.077 -9.092 1.00 24.41 H new ATOM 0 HG2 PRO A 27 11.048 -7.885 -8.688 1.00 31.15 H new ATOM 0 HG3 PRO A 27 11.873 -8.337 -10.167 1.00 31.15 H new ATOM 0 HD2 PRO A 27 9.359 -9.277 -9.618 1.00 72.15 H new ATOM 0 HD3 PRO A 27 10.512 -10.251 -10.509 1.00 72.15 H new ATOM 420 N SER A 28 11.804 -10.541 -5.218 1.00 41.34 N ATOM 421 CA SER A 28 11.595 -10.101 -3.836 1.00 63.11 C ATOM 422 C SER A 28 12.106 -8.670 -3.610 1.00 32.25 C ATOM 423 O SER A 28 11.764 -8.050 -2.603 1.00 20.40 O ATOM 424 CB SER A 28 12.235 -11.100 -2.853 1.00 20.44 C ATOM 425 OG SER A 28 12.883 -12.192 -3.488 1.00 52.02 O ATOM 0 H SER A 28 12.450 -11.326 -5.300 1.00 41.34 H new ATOM 0 HA SER A 28 10.522 -10.080 -3.646 1.00 63.11 H new ATOM 0 HB2 SER A 28 12.958 -10.572 -2.232 1.00 20.44 H new ATOM 0 HB3 SER A 28 11.463 -11.485 -2.187 1.00 20.44 H new ATOM 0 HG SER A 28 13.267 -12.784 -2.808 1.00 52.02 H new ATOM 431 N ASP A 29 12.885 -8.150 -4.558 1.00 21.13 N ATOM 432 CA ASP A 29 13.525 -6.840 -4.573 1.00 14.24 C ATOM 433 C ASP A 29 12.556 -5.751 -5.045 1.00 20.51 C ATOM 434 O ASP A 29 12.930 -4.582 -5.036 1.00 1.13 O ATOM 435 CB ASP A 29 14.772 -6.867 -5.480 1.00 62.12 C ATOM 436 CG ASP A 29 15.502 -8.209 -5.443 1.00 13.40 C ATOM 437 OD1 ASP A 29 16.134 -8.562 -4.419 1.00 43.11 O ATOM 438 OD2 ASP A 29 15.319 -8.984 -6.410 1.00 53.24 O ATOM 0 H ASP A 29 13.101 -8.679 -5.403 1.00 21.13 H new ATOM 0 HA ASP A 29 13.828 -6.604 -3.553 1.00 14.24 H new ATOM 0 HB2 ASP A 29 14.474 -6.649 -6.506 1.00 62.12 H new ATOM 0 HB3 ASP A 29 15.457 -6.077 -5.172 1.00 62.12 H new ATOM 443 N TRP A 30 11.311 -6.094 -5.423 1.00 30.53 N ATOM 444 CA TRP A 30 10.292 -5.153 -5.908 1.00 52.23 C ATOM 445 C TRP A 30 10.142 -3.921 -4.997 1.00 34.40 C ATOM 446 O TRP A 30 9.809 -2.827 -5.445 1.00 61.31 O ATOM 447 CB TRP A 30 8.944 -5.881 -6.070 1.00 3.42 C ATOM 448 CG TRP A 30 8.253 -6.302 -4.801 1.00 44.00 C ATOM 449 CD1 TRP A 30 8.293 -7.522 -4.215 1.00 11.35 C ATOM 450 CD2 TRP A 30 7.421 -5.482 -3.929 1.00 11.22 C ATOM 451 NE1 TRP A 30 7.625 -7.479 -3.011 1.00 32.35 N ATOM 452 CE2 TRP A 30 6.993 -6.273 -2.823 1.00 13.34 C ATOM 453 CE3 TRP A 30 7.014 -4.133 -3.947 1.00 52.44 C ATOM 454 CZ2 TRP A 30 6.176 -5.759 -1.806 1.00 73.54 C ATOM 455 CZ3 TRP A 30 6.229 -3.601 -2.911 1.00 40.31 C ATOM 456 CH2 TRP A 30 5.792 -4.416 -1.858 1.00 43.02 C ATOM 0 H TRP A 30 10.980 -7.059 -5.398 1.00 30.53 H new ATOM 0 HA TRP A 30 10.623 -4.782 -6.878 1.00 52.23 H new ATOM 0 HB2 TRP A 30 8.269 -5.230 -6.626 1.00 3.42 H new ATOM 0 HB3 TRP A 30 9.107 -6.769 -6.681 1.00 3.42 H new ATOM 0 HD1 TRP A 30 8.775 -8.396 -4.628 1.00 11.35 H new ATOM 0 HE1 TRP A 30 7.602 -8.248 -2.341 1.00 32.35 H new ATOM 0 HE3 TRP A 30 7.310 -3.499 -4.770 1.00 52.44 H new ATOM 0 HZ2 TRP A 30 5.848 -6.392 -0.994 1.00 73.54 H new ATOM 0 HZ3 TRP A 30 5.960 -2.555 -2.926 1.00 40.31 H new ATOM 0 HH2 TRP A 30 5.158 -4.006 -1.086 1.00 43.02 H new ATOM 467 N VAL A 31 10.411 -4.104 -3.707 1.00 13.52 N ATOM 468 CA VAL A 31 10.351 -3.117 -2.641 1.00 51.33 C ATOM 469 C VAL A 31 11.300 -1.944 -2.914 1.00 13.31 C ATOM 470 O VAL A 31 10.947 -0.798 -2.624 1.00 52.33 O ATOM 471 CB VAL A 31 10.659 -3.873 -1.331 1.00 23.41 C ATOM 472 CG1 VAL A 31 10.833 -2.980 -0.104 1.00 31.32 C ATOM 473 CG2 VAL A 31 9.526 -4.874 -1.066 1.00 71.12 C ATOM 0 H VAL A 31 10.698 -5.018 -3.357 1.00 13.52 H new ATOM 0 HA VAL A 31 9.366 -2.655 -2.569 1.00 51.33 H new ATOM 0 HB VAL A 31 11.620 -4.366 -1.479 1.00 23.41 H new ATOM 0 HG11 VAL A 31 11.046 -3.598 0.768 1.00 31.32 H new ATOM 0 HG12 VAL A 31 11.660 -2.290 -0.271 1.00 31.32 H new ATOM 0 HG13 VAL A 31 9.917 -2.414 0.067 1.00 31.32 H new ATOM 0 HG21 VAL A 31 9.729 -5.417 -0.143 1.00 71.12 H new ATOM 0 HG22 VAL A 31 8.582 -4.338 -0.972 1.00 71.12 H new ATOM 0 HG23 VAL A 31 9.462 -5.579 -1.895 1.00 71.12 H new ATOM 483 N ASP A 32 12.480 -2.204 -3.480 1.00 62.21 N ATOM 484 CA ASP A 32 13.442 -1.163 -3.838 1.00 14.53 C ATOM 485 C ASP A 32 13.219 -0.684 -5.271 1.00 61.54 C ATOM 486 O ASP A 32 13.616 0.425 -5.627 1.00 44.44 O ATOM 487 CB ASP A 32 14.883 -1.652 -3.665 1.00 13.21 C ATOM 488 CG ASP A 32 15.605 -0.993 -2.487 1.00 3.34 C ATOM 489 OD1 ASP A 32 15.893 0.225 -2.506 1.00 44.21 O ATOM 490 OD2 ASP A 32 15.925 -1.701 -1.502 1.00 54.35 O ATOM 0 H ASP A 32 12.796 -3.148 -3.704 1.00 62.21 H new ATOM 0 HA ASP A 32 13.282 -0.325 -3.160 1.00 14.53 H new ATOM 0 HB2 ASP A 32 14.879 -2.733 -3.522 1.00 13.21 H new ATOM 0 HB3 ASP A 32 15.440 -1.454 -4.581 1.00 13.21 H new ATOM 495 N ARG A 33 12.563 -1.489 -6.117 1.00 20.13 N ATOM 496 CA ARG A 33 12.161 -1.026 -7.450 1.00 62.04 C ATOM 497 C ARG A 33 11.109 0.062 -7.307 1.00 64.53 C ATOM 498 O ARG A 33 11.137 1.055 -8.037 1.00 72.40 O ATOM 499 CB ARG A 33 11.649 -2.164 -8.350 1.00 21.34 C ATOM 500 CG ARG A 33 12.651 -3.323 -8.476 1.00 1.43 C ATOM 501 CD ARG A 33 12.528 -4.047 -9.820 1.00 54.10 C ATOM 502 NE ARG A 33 13.310 -3.334 -10.841 1.00 12.04 N ATOM 503 CZ ARG A 33 13.313 -3.542 -12.157 1.00 11.24 C ATOM 504 NH1 ARG A 33 12.470 -4.388 -12.728 1.00 1.11 N ATOM 505 NH2 ARG A 33 14.168 -2.872 -12.920 1.00 22.13 N ATOM 0 H ARG A 33 12.302 -2.452 -5.905 1.00 20.13 H new ATOM 0 HA ARG A 33 13.047 -0.625 -7.943 1.00 62.04 H new ATOM 0 HB2 ARG A 33 10.710 -2.544 -7.948 1.00 21.34 H new ATOM 0 HB3 ARG A 33 11.433 -1.767 -9.342 1.00 21.34 H new ATOM 0 HG2 ARG A 33 13.665 -2.939 -8.363 1.00 1.43 H new ATOM 0 HG3 ARG A 33 12.487 -4.033 -7.666 1.00 1.43 H new ATOM 0 HD2 ARG A 33 12.885 -5.073 -9.725 1.00 54.10 H new ATOM 0 HD3 ARG A 33 11.482 -4.100 -10.121 1.00 54.10 H new ATOM 0 HE ARG A 33 13.923 -2.592 -10.502 1.00 12.04 H new ATOM 0 HH11 ARG A 33 11.796 -4.900 -12.158 1.00 1.11 H new ATOM 0 HH12 ARG A 33 12.494 -4.528 -13.738 1.00 1.11 H new ATOM 0 HH21 ARG A 33 14.814 -2.205 -12.498 1.00 22.13 H new ATOM 0 HH22 ARG A 33 14.179 -3.024 -13.929 1.00 22.13 H new ATOM 519 N MET A 34 10.190 -0.116 -6.362 1.00 30.41 N ATOM 520 CA MET A 34 9.134 0.846 -6.127 1.00 40.23 C ATOM 521 C MET A 34 9.711 2.130 -5.553 1.00 31.52 C ATOM 522 O MET A 34 9.446 3.195 -6.108 1.00 32.13 O ATOM 523 CB MET A 34 8.045 0.265 -5.223 1.00 62.40 C ATOM 524 CG MET A 34 7.062 -0.556 -6.055 1.00 63.23 C ATOM 525 SD MET A 34 5.487 -0.945 -5.252 1.00 21.33 S ATOM 526 CE MET A 34 4.391 0.017 -6.332 1.00 45.43 C ATOM 0 H MET A 34 10.162 -0.928 -5.745 1.00 30.41 H new ATOM 0 HA MET A 34 8.664 1.082 -7.081 1.00 40.23 H new ATOM 0 HB2 MET A 34 8.495 -0.362 -4.453 1.00 62.40 H new ATOM 0 HB3 MET A 34 7.518 1.070 -4.711 1.00 62.40 H new ATOM 0 HG2 MET A 34 6.854 -0.014 -6.978 1.00 63.23 H new ATOM 0 HG3 MET A 34 7.546 -1.491 -6.337 1.00 63.23 H new ATOM 0 HE1 MET A 34 3.353 -0.219 -6.099 1.00 45.43 H new ATOM 0 HE2 MET A 34 4.566 1.081 -6.173 1.00 45.43 H new ATOM 0 HE3 MET A 34 4.595 -0.233 -7.373 1.00 45.43 H new ATOM 536 N CYS A 35 10.492 2.072 -4.467 1.00 42.40 N ATOM 537 CA CYS A 35 10.967 3.315 -3.872 1.00 21.32 C ATOM 538 C CYS A 35 11.868 4.091 -4.839 1.00 25.33 C ATOM 539 O CYS A 35 11.809 5.312 -4.815 1.00 3.54 O ATOM 540 CB CYS A 35 11.633 3.086 -2.515 1.00 5.04 C ATOM 541 SG CYS A 35 13.145 2.137 -2.721 1.00 74.14 S ATOM 0 H CYS A 35 10.795 1.216 -4.003 1.00 42.40 H new ATOM 0 HA CYS A 35 10.092 3.937 -3.682 1.00 21.32 H new ATOM 0 HB2 CYS A 35 11.857 4.044 -2.045 1.00 5.04 H new ATOM 0 HB3 CYS A 35 10.950 2.557 -1.851 1.00 5.04 H new ATOM 0 HG CYS A 35 14.161 2.946 -2.774 1.00 74.14 H new ATOM 547 N SER A 36 12.650 3.432 -5.710 1.00 13.30 N ATOM 548 CA SER A 36 13.452 4.133 -6.712 1.00 61.21 C ATOM 549 C SER A 36 12.552 4.874 -7.700 1.00 70.45 C ATOM 550 O SER A 36 12.843 6.008 -8.067 1.00 45.44 O ATOM 551 CB SER A 36 14.435 3.163 -7.399 1.00 1.51 C ATOM 552 OG SER A 36 14.050 2.720 -8.690 1.00 31.54 O ATOM 0 H SER A 36 12.740 2.416 -5.736 1.00 13.30 H new ATOM 0 HA SER A 36 14.060 4.891 -6.218 1.00 61.21 H new ATOM 0 HB2 SER A 36 15.407 3.651 -7.476 1.00 1.51 H new ATOM 0 HB3 SER A 36 14.566 2.291 -6.758 1.00 1.51 H new ATOM 0 HG SER A 36 14.733 2.113 -9.045 1.00 31.54 H new ATOM 558 N THR A 37 11.486 4.214 -8.152 1.00 33.25 N ATOM 559 CA THR A 37 10.503 4.768 -9.077 1.00 21.10 C ATOM 560 C THR A 37 9.836 6.002 -8.452 1.00 11.50 C ATOM 561 O THR A 37 9.717 7.044 -9.098 1.00 4.50 O ATOM 562 CB THR A 37 9.494 3.663 -9.451 1.00 11.22 C ATOM 563 OG1 THR A 37 10.180 2.543 -10.002 1.00 32.01 O ATOM 564 CG2 THR A 37 8.437 4.135 -10.448 1.00 41.44 C ATOM 0 H THR A 37 11.279 3.254 -7.876 1.00 33.25 H new ATOM 0 HA THR A 37 10.981 5.105 -9.997 1.00 21.10 H new ATOM 0 HB THR A 37 8.981 3.387 -8.530 1.00 11.22 H new ATOM 0 HG1 THR A 37 10.538 1.989 -9.277 1.00 32.01 H new ATOM 0 HG21 THR A 37 7.756 3.314 -10.672 1.00 41.44 H new ATOM 0 HG22 THR A 37 7.876 4.965 -10.018 1.00 41.44 H new ATOM 0 HG23 THR A 37 8.924 4.464 -11.366 1.00 41.44 H new ATOM 572 N TYR A 38 9.426 5.910 -7.186 1.00 63.53 N ATOM 573 CA TYR A 38 8.802 6.992 -6.438 1.00 15.14 C ATOM 574 C TYR A 38 9.865 7.808 -5.689 1.00 64.43 C ATOM 575 O TYR A 38 9.676 8.149 -4.518 1.00 63.24 O ATOM 576 CB TYR A 38 7.708 6.406 -5.529 1.00 41.24 C ATOM 577 CG TYR A 38 6.477 5.961 -6.293 1.00 51.11 C ATOM 578 CD1 TYR A 38 5.427 6.867 -6.538 1.00 14.30 C ATOM 579 CD2 TYR A 38 6.408 4.657 -6.810 1.00 31.10 C ATOM 580 CE1 TYR A 38 4.351 6.494 -7.364 1.00 34.41 C ATOM 581 CE2 TYR A 38 5.344 4.278 -7.644 1.00 62.54 C ATOM 582 CZ TYR A 38 4.312 5.198 -7.933 1.00 21.34 C ATOM 583 OH TYR A 38 3.280 4.833 -8.738 1.00 54.43 O ATOM 0 H TYR A 38 9.524 5.054 -6.641 1.00 63.53 H new ATOM 0 HA TYR A 38 8.314 7.697 -7.111 1.00 15.14 H new ATOM 0 HB2 TYR A 38 8.115 5.556 -4.981 1.00 41.24 H new ATOM 0 HB3 TYR A 38 7.419 7.153 -4.790 1.00 41.24 H new ATOM 0 HD1 TYR A 38 5.448 7.850 -6.091 1.00 14.30 H new ATOM 0 HD2 TYR A 38 7.178 3.941 -6.564 1.00 31.10 H new ATOM 0 HE1 TYR A 38 3.555 7.196 -7.564 1.00 34.41 H new ATOM 0 HE2 TYR A 38 5.315 3.284 -8.064 1.00 62.54 H new ATOM 0 HH TYR A 38 3.413 3.911 -9.043 1.00 54.43 H new ATOM 593 N ALA A 39 10.977 8.123 -6.362 1.00 13.12 N ATOM 594 CA ALA A 39 12.059 8.956 -5.862 1.00 0.54 C ATOM 595 C ALA A 39 12.713 9.720 -7.011 1.00 4.01 C ATOM 596 O ALA A 39 12.512 9.396 -8.185 1.00 44.21 O ATOM 597 CB ALA A 39 13.092 8.063 -5.187 1.00 45.14 C ATOM 0 H ALA A 39 11.148 7.787 -7.310 1.00 13.12 H new ATOM 0 HA ALA A 39 11.662 9.677 -5.147 1.00 0.54 H new ATOM 0 HB1 ALA A 39 13.910 8.675 -4.807 1.00 45.14 H new ATOM 0 HB2 ALA A 39 12.625 7.527 -4.360 1.00 45.14 H new ATOM 0 HB3 ALA A 39 13.481 7.346 -5.910 1.00 45.14 H new ATOM 603 N SER A 40 13.548 10.697 -6.660 1.00 62.41 N ATOM 604 CA SER A 40 14.298 11.521 -7.597 1.00 3.53 C ATOM 605 C SER A 40 15.627 11.891 -6.959 1.00 52.54 C ATOM 606 O SER A 40 15.892 11.575 -5.797 1.00 63.41 O ATOM 607 CB SER A 40 13.455 12.742 -7.977 1.00 41.12 C ATOM 608 OG SER A 40 13.030 13.461 -6.840 1.00 21.44 O ATOM 0 H SER A 40 13.724 10.942 -5.686 1.00 62.41 H new ATOM 0 HA SER A 40 14.514 10.984 -8.520 1.00 3.53 H new ATOM 0 HB2 SER A 40 14.037 13.398 -8.625 1.00 41.12 H new ATOM 0 HB3 SER A 40 12.585 12.419 -8.549 1.00 41.12 H new ATOM 0 HG SER A 40 12.497 14.233 -7.122 1.00 21.44 H new ATOM 728 N ARG A 48 16.823 9.835 -3.792 1.00 21.04 N ATOM 729 CA ARG A 48 16.310 10.172 -2.474 1.00 62.23 C ATOM 730 C ARG A 48 14.882 9.671 -2.355 1.00 24.15 C ATOM 731 O ARG A 48 13.961 10.289 -2.883 1.00 64.23 O ATOM 732 CB ARG A 48 16.433 11.691 -2.240 1.00 52.51 C ATOM 733 CG ARG A 48 17.681 12.015 -1.404 1.00 43.44 C ATOM 734 CD ARG A 48 17.541 11.518 0.047 1.00 55.32 C ATOM 735 NE ARG A 48 17.309 12.612 1.002 1.00 55.04 N ATOM 736 CZ ARG A 48 18.256 13.271 1.683 1.00 74.13 C ATOM 737 NH1 ARG A 48 19.547 13.043 1.486 1.00 2.52 N ATOM 738 NH2 ARG A 48 17.918 14.187 2.579 1.00 52.13 N ATOM 0 HA ARG A 48 16.895 9.684 -1.695 1.00 62.23 H new ATOM 0 HB2 ARG A 48 16.487 12.208 -3.198 1.00 52.51 H new ATOM 0 HB3 ARG A 48 15.543 12.058 -1.730 1.00 52.51 H new ATOM 0 HG2 ARG A 48 18.556 11.555 -1.863 1.00 43.44 H new ATOM 0 HG3 ARG A 48 17.850 13.092 -1.405 1.00 43.44 H new ATOM 0 HD2 ARG A 48 16.715 10.809 0.106 1.00 55.32 H new ATOM 0 HD3 ARG A 48 18.445 10.979 0.331 1.00 55.32 H new ATOM 0 HE ARG A 48 16.342 12.894 1.160 1.00 55.04 H new ATOM 0 HH11 ARG A 48 19.843 12.349 0.800 1.00 2.52 H new ATOM 0 HH12 ARG A 48 20.244 13.562 2.021 1.00 2.52 H new ATOM 0 HH21 ARG A 48 16.934 14.392 2.752 1.00 52.13 H new ATOM 0 HH22 ARG A 48 18.642 14.687 3.096 1.00 52.13 H new ATOM 752 N TYR A 49 14.719 8.526 -1.695 1.00 23.44 N ATOM 753 CA TYR A 49 13.424 7.919 -1.434 1.00 21.13 C ATOM 754 C TYR A 49 12.550 8.892 -0.638 1.00 3.51 C ATOM 755 O TYR A 49 13.004 9.458 0.363 1.00 65.22 O ATOM 756 CB TYR A 49 13.628 6.575 -0.711 1.00 44.54 C ATOM 757 CG TYR A 49 14.569 5.578 -1.388 1.00 41.03 C ATOM 758 CD1 TYR A 49 14.603 5.439 -2.793 1.00 3.34 C ATOM 759 CD2 TYR A 49 15.388 4.743 -0.601 1.00 65.32 C ATOM 760 CE1 TYR A 49 15.418 4.466 -3.399 1.00 21.21 C ATOM 761 CE2 TYR A 49 16.191 3.755 -1.201 1.00 61.21 C ATOM 762 CZ TYR A 49 16.178 3.584 -2.602 1.00 22.15 C ATOM 763 OH TYR A 49 16.889 2.580 -3.189 1.00 52.11 O ATOM 0 H TYR A 49 15.501 7.987 -1.321 1.00 23.44 H new ATOM 0 HA TYR A 49 12.902 7.711 -2.368 1.00 21.13 H new ATOM 0 HB2 TYR A 49 14.008 6.779 0.290 1.00 44.54 H new ATOM 0 HB3 TYR A 49 12.654 6.100 -0.591 1.00 44.54 H new ATOM 0 HD1 TYR A 49 13.997 6.087 -3.409 1.00 3.34 H new ATOM 0 HD2 TYR A 49 15.399 4.863 0.472 1.00 65.32 H new ATOM 0 HE1 TYR A 49 15.462 4.394 -4.476 1.00 21.21 H new ATOM 0 HE2 TYR A 49 16.819 3.126 -0.588 1.00 61.21 H new ATOM 0 HH TYR A 49 16.572 1.715 -2.853 1.00 52.11 H new ATOM 773 N SER A 50 11.320 9.116 -1.105 1.00 63.31 N ATOM 774 CA SER A 50 10.326 9.984 -0.482 1.00 51.04 C ATOM 775 C SER A 50 9.972 9.548 0.949 1.00 33.52 C ATOM 776 O SER A 50 10.163 8.386 1.311 1.00 62.10 O ATOM 777 CB SER A 50 9.064 9.940 -1.349 1.00 10.21 C ATOM 778 OG SER A 50 9.303 10.483 -2.630 1.00 43.50 O ATOM 0 H SER A 50 10.979 8.679 -1.961 1.00 63.31 H new ATOM 0 HA SER A 50 10.740 10.990 -0.413 1.00 51.04 H new ATOM 0 HB2 SER A 50 8.723 8.909 -1.446 1.00 10.21 H new ATOM 0 HB3 SER A 50 8.264 10.496 -0.859 1.00 10.21 H new ATOM 0 HG SER A 50 9.447 9.756 -3.272 1.00 43.50 H new ATOM 784 N PRO A 51 9.366 10.448 1.748 1.00 72.45 N ATOM 785 CA PRO A 51 8.966 10.166 3.125 1.00 41.30 C ATOM 786 C PRO A 51 7.952 9.025 3.261 1.00 1.34 C ATOM 787 O PRO A 51 7.920 8.376 4.305 1.00 65.33 O ATOM 788 CB PRO A 51 8.364 11.477 3.662 1.00 63.40 C ATOM 789 CG PRO A 51 8.063 12.305 2.416 1.00 2.51 C ATOM 790 CD PRO A 51 9.120 11.847 1.429 1.00 2.32 C ATOM 0 HA PRO A 51 9.836 9.831 3.689 1.00 41.30 H new ATOM 0 HB2 PRO A 51 7.460 11.289 4.241 1.00 63.40 H new ATOM 0 HB3 PRO A 51 9.063 11.993 4.321 1.00 63.40 H new ATOM 0 HG2 PRO A 51 7.056 12.118 2.043 1.00 2.51 H new ATOM 0 HG3 PRO A 51 8.136 13.374 2.616 1.00 2.51 H new ATOM 0 HD2 PRO A 51 8.774 11.961 0.402 1.00 2.32 H new ATOM 0 HD3 PRO A 51 10.031 12.438 1.526 1.00 2.32 H new ATOM 798 N TYR A 52 7.107 8.804 2.254 1.00 63.25 N ATOM 799 CA TYR A 52 5.862 8.051 2.387 1.00 63.20 C ATOM 800 C TYR A 52 5.989 6.554 2.134 1.00 65.02 C ATOM 801 O TYR A 52 4.983 5.894 1.887 1.00 23.44 O ATOM 802 CB TYR A 52 4.810 8.693 1.469 1.00 32.04 C ATOM 803 CG TYR A 52 4.540 10.150 1.794 1.00 51.11 C ATOM 804 CD1 TYR A 52 4.210 10.524 3.110 1.00 25.22 C ATOM 805 CD2 TYR A 52 4.678 11.141 0.803 1.00 33.10 C ATOM 806 CE1 TYR A 52 4.045 11.871 3.450 1.00 74.23 C ATOM 807 CE2 TYR A 52 4.521 12.497 1.138 1.00 21.23 C ATOM 808 CZ TYR A 52 4.220 12.862 2.468 1.00 10.32 C ATOM 809 OH TYR A 52 4.157 14.164 2.836 1.00 2.13 O ATOM 0 H TYR A 52 7.272 9.149 1.308 1.00 63.25 H new ATOM 0 HA TYR A 52 5.555 8.111 3.431 1.00 63.20 H new ATOM 0 HB2 TYR A 52 5.144 8.614 0.434 1.00 32.04 H new ATOM 0 HB3 TYR A 52 3.879 8.132 1.547 1.00 32.04 H new ATOM 0 HD1 TYR A 52 4.083 9.763 3.866 1.00 25.22 H new ATOM 0 HD2 TYR A 52 4.905 10.859 -0.215 1.00 33.10 H new ATOM 0 HE1 TYR A 52 3.785 12.148 4.461 1.00 74.23 H new ATOM 0 HE2 TYR A 52 4.630 13.258 0.380 1.00 21.23 H new ATOM 0 HH TYR A 52 4.298 14.733 2.051 1.00 2.13 H new ATOM 819 N LEU A 53 7.208 6.025 2.124 1.00 42.12 N ATOM 820 CA LEU A 53 7.513 4.745 1.510 1.00 53.25 C ATOM 821 C LEU A 53 8.596 4.068 2.336 1.00 5.21 C ATOM 822 O LEU A 53 9.651 4.672 2.566 1.00 41.31 O ATOM 823 CB LEU A 53 7.957 5.030 0.061 1.00 20.01 C ATOM 824 CG LEU A 53 6.809 4.982 -0.967 1.00 5.11 C ATOM 825 CD1 LEU A 53 7.311 5.433 -2.345 1.00 63.24 C ATOM 826 CD2 LEU A 53 6.212 3.583 -1.119 1.00 43.03 C ATOM 0 H LEU A 53 8.017 6.480 2.547 1.00 42.12 H new ATOM 0 HA LEU A 53 6.657 4.071 1.482 1.00 53.25 H new ATOM 0 HB2 LEU A 53 8.425 6.014 0.022 1.00 20.01 H new ATOM 0 HB3 LEU A 53 8.718 4.303 -0.225 1.00 20.01 H new ATOM 0 HG LEU A 53 6.036 5.652 -0.591 1.00 5.11 H new ATOM 0 HD11 LEU A 53 6.491 5.394 -3.062 1.00 63.24 H new ATOM 0 HD12 LEU A 53 7.687 6.454 -2.279 1.00 63.24 H new ATOM 0 HD13 LEU A 53 8.112 4.772 -2.675 1.00 63.24 H new ATOM 0 HD21 LEU A 53 5.408 3.608 -1.855 1.00 43.03 H new ATOM 0 HD22 LEU A 53 6.986 2.891 -1.451 1.00 43.03 H new ATOM 0 HD23 LEU A 53 5.815 3.251 -0.160 1.00 43.03 H new ATOM 838 N LYS A 54 8.326 2.861 2.850 1.00 21.14 N ATOM 839 CA LYS A 54 9.222 2.155 3.764 1.00 74.54 C ATOM 840 C LYS A 54 9.154 0.631 3.730 1.00 13.04 C ATOM 841 O LYS A 54 8.053 0.100 3.764 1.00 62.53 O ATOM 842 CB LYS A 54 8.978 2.676 5.184 1.00 5.41 C ATOM 843 CG LYS A 54 7.652 3.365 5.540 1.00 32.21 C ATOM 844 CD LYS A 54 7.732 4.040 6.917 1.00 41.51 C ATOM 845 CE LYS A 54 6.928 5.345 6.877 1.00 55.53 C ATOM 846 NZ LYS A 54 7.106 6.172 8.089 1.00 42.52 N ATOM 0 H LYS A 54 7.471 2.346 2.639 1.00 21.14 H new ATOM 0 HA LYS A 54 10.233 2.372 3.418 1.00 74.54 H new ATOM 0 HB2 LYS A 54 9.095 1.831 5.862 1.00 5.41 H new ATOM 0 HB3 LYS A 54 9.779 3.380 5.411 1.00 5.41 H new ATOM 0 HG2 LYS A 54 7.410 4.108 4.781 1.00 32.21 H new ATOM 0 HG3 LYS A 54 6.845 2.632 5.537 1.00 32.21 H new ATOM 0 HD2 LYS A 54 7.336 3.377 7.686 1.00 41.51 H new ATOM 0 HD3 LYS A 54 8.771 4.245 7.177 1.00 41.51 H new ATOM 0 HE2 LYS A 54 7.228 5.923 6.003 1.00 55.53 H new ATOM 0 HE3 LYS A 54 5.870 5.110 6.757 1.00 55.53 H new ATOM 0 HZ1 LYS A 54 6.539 7.040 8.004 1.00 42.52 H new ATOM 0 HZ2 LYS A 54 6.795 5.636 8.924 1.00 42.52 H new ATOM 0 HZ3 LYS A 54 8.110 6.423 8.193 1.00 42.52 H new ATOM 860 N PRO A 55 10.271 -0.102 3.862 1.00 54.31 N ATOM 861 CA PRO A 55 10.234 -1.553 4.007 1.00 50.42 C ATOM 862 C PRO A 55 9.867 -1.931 5.446 1.00 60.41 C ATOM 863 O PRO A 55 10.020 -1.128 6.370 1.00 5.53 O ATOM 864 CB PRO A 55 11.641 -2.021 3.627 1.00 74.10 C ATOM 865 CG PRO A 55 12.525 -0.842 4.022 1.00 64.22 C ATOM 866 CD PRO A 55 11.641 0.370 3.736 1.00 22.43 C ATOM 0 HA PRO A 55 9.481 -2.025 3.376 1.00 50.42 H new ATOM 0 HB2 PRO A 55 11.920 -2.929 4.161 1.00 74.10 H new ATOM 0 HB3 PRO A 55 11.717 -2.241 2.562 1.00 74.10 H new ATOM 0 HG2 PRO A 55 12.815 -0.890 5.072 1.00 64.22 H new ATOM 0 HG3 PRO A 55 13.445 -0.816 3.438 1.00 64.22 H new ATOM 0 HD2 PRO A 55 11.843 1.177 4.440 1.00 22.43 H new ATOM 0 HD3 PRO A 55 11.829 0.764 2.737 1.00 22.43 H new ATOM 874 N ARG A 56 9.421 -3.172 5.653 1.00 73.52 N ATOM 875 CA ARG A 56 9.126 -3.773 6.957 1.00 13.42 C ATOM 876 C ARG A 56 9.691 -5.198 7.002 1.00 11.51 C ATOM 877 O ARG A 56 10.506 -5.569 6.154 1.00 32.54 O ATOM 878 CB ARG A 56 7.609 -3.683 7.235 1.00 14.14 C ATOM 879 CG ARG A 56 7.328 -2.477 8.140 1.00 1.54 C ATOM 880 CD ARG A 56 5.846 -2.381 8.482 1.00 11.52 C ATOM 881 NE ARG A 56 5.599 -1.416 9.563 1.00 45.30 N ATOM 882 CZ ARG A 56 5.167 -0.155 9.461 1.00 14.21 C ATOM 883 NH1 ARG A 56 5.015 0.438 8.287 1.00 31.52 N ATOM 884 NH2 ARG A 56 4.875 0.529 10.551 1.00 54.20 N ATOM 0 H ARG A 56 9.247 -3.815 4.881 1.00 73.52 H new ATOM 0 HA ARG A 56 9.615 -3.227 7.764 1.00 13.42 H new ATOM 0 HB2 ARG A 56 7.062 -3.584 6.298 1.00 14.14 H new ATOM 0 HB3 ARG A 56 7.261 -4.599 7.712 1.00 14.14 H new ATOM 0 HG2 ARG A 56 7.911 -2.563 9.057 1.00 1.54 H new ATOM 0 HG3 ARG A 56 7.650 -1.562 7.642 1.00 1.54 H new ATOM 0 HD2 ARG A 56 5.286 -2.085 7.595 1.00 11.52 H new ATOM 0 HD3 ARG A 56 5.477 -3.363 8.779 1.00 11.52 H new ATOM 0 HE ARG A 56 5.780 -1.750 10.509 1.00 45.30 H new ATOM 0 HH11 ARG A 56 5.229 -0.069 7.428 1.00 31.52 H new ATOM 0 HH12 ARG A 56 4.683 1.402 8.241 1.00 31.52 H new ATOM 0 HH21 ARG A 56 4.979 0.095 11.468 1.00 54.20 H new ATOM 0 HH22 ARG A 56 4.545 1.491 10.476 1.00 54.20 H new ATOM 898 N VAL A 57 9.331 -5.978 8.026 1.00 60.45 N ATOM 899 CA VAL A 57 9.511 -7.424 8.068 1.00 14.31 C ATOM 900 C VAL A 57 8.284 -7.991 8.782 1.00 2.32 C ATOM 901 O VAL A 57 8.336 -8.286 9.977 1.00 32.31 O ATOM 902 CB VAL A 57 10.855 -7.853 8.703 1.00 42.52 C ATOM 903 CG1 VAL A 57 11.016 -9.378 8.612 1.00 53.43 C ATOM 904 CG2 VAL A 57 12.081 -7.250 8.003 1.00 14.12 C ATOM 0 H VAL A 57 8.895 -5.606 8.870 1.00 60.45 H new ATOM 0 HA VAL A 57 9.579 -7.832 7.060 1.00 14.31 H new ATOM 0 HB VAL A 57 10.816 -7.494 9.732 1.00 42.52 H new ATOM 0 HG11 VAL A 57 11.965 -9.671 9.061 1.00 53.43 H new ATOM 0 HG12 VAL A 57 10.197 -9.863 9.144 1.00 53.43 H new ATOM 0 HG13 VAL A 57 11.000 -9.684 7.566 1.00 53.43 H new ATOM 0 HG21 VAL A 57 12.989 -7.593 8.500 1.00 14.12 H new ATOM 0 HG22 VAL A 57 12.097 -7.566 6.960 1.00 14.12 H new ATOM 0 HG23 VAL A 57 12.029 -6.162 8.051 1.00 14.12 H new ATOM 914 N ILE A 58 7.165 -8.116 8.070 1.00 4.15 N ATOM 915 CA ILE A 58 5.982 -8.785 8.604 1.00 12.03 C ATOM 916 C ILE A 58 6.197 -10.258 8.343 1.00 72.42 C ATOM 917 O ILE A 58 6.336 -10.641 7.188 1.00 64.13 O ATOM 918 CB ILE A 58 4.657 -8.320 7.962 1.00 63.12 C ATOM 919 CG1 ILE A 58 4.585 -6.777 7.976 1.00 41.34 C ATOM 920 CG2 ILE A 58 3.508 -8.946 8.779 1.00 4.32 C ATOM 921 CD1 ILE A 58 3.199 -6.209 7.675 1.00 70.45 C ATOM 0 H ILE A 58 7.054 -7.762 7.120 1.00 4.15 H new ATOM 0 HA ILE A 58 5.877 -8.546 9.662 1.00 12.03 H new ATOM 0 HB ILE A 58 4.584 -8.638 6.922 1.00 63.12 H new ATOM 0 HG12 ILE A 58 4.907 -6.419 8.954 1.00 41.34 H new ATOM 0 HG13 ILE A 58 5.292 -6.385 7.245 1.00 41.34 H new ATOM 0 HG21 ILE A 58 2.551 -8.640 8.355 1.00 4.32 H new ATOM 0 HG22 ILE A 58 3.588 -10.033 8.746 1.00 4.32 H new ATOM 0 HG23 ILE A 58 3.571 -8.608 9.813 1.00 4.32 H new ATOM 0 HD11 ILE A 58 3.238 -5.120 7.705 1.00 70.45 H new ATOM 0 HD12 ILE A 58 2.880 -6.534 6.685 1.00 70.45 H new ATOM 0 HD13 ILE A 58 2.489 -6.568 8.420 1.00 70.45 H new ATOM 933 N GLU A 59 6.251 -11.076 9.392 1.00 25.11 N ATOM 934 CA GLU A 59 6.319 -12.532 9.262 1.00 51.42 C ATOM 935 C GLU A 59 7.482 -12.996 8.356 1.00 31.53 C ATOM 936 O GLU A 59 7.404 -14.023 7.676 1.00 10.20 O ATOM 937 CB GLU A 59 4.933 -13.061 8.845 1.00 72.11 C ATOM 938 CG GLU A 59 3.881 -12.892 9.952 1.00 2.02 C ATOM 939 CD GLU A 59 2.510 -13.395 9.505 1.00 63.33 C ATOM 940 OE1 GLU A 59 2.430 -14.528 8.978 1.00 73.24 O ATOM 941 OE2 GLU A 59 1.510 -12.661 9.689 1.00 3.31 O ATOM 0 H GLU A 59 6.249 -10.749 10.358 1.00 25.11 H new ATOM 0 HA GLU A 59 6.562 -12.974 10.228 1.00 51.42 H new ATOM 0 HB2 GLU A 59 4.601 -12.535 7.950 1.00 72.11 H new ATOM 0 HB3 GLU A 59 5.014 -14.116 8.583 1.00 72.11 H new ATOM 0 HG2 GLU A 59 4.197 -13.437 10.842 1.00 2.02 H new ATOM 0 HG3 GLU A 59 3.811 -11.841 10.231 1.00 2.02 H new ATOM 948 N GLY A 60 8.576 -12.227 8.336 1.00 34.53 N ATOM 949 CA GLY A 60 9.763 -12.491 7.534 1.00 71.24 C ATOM 950 C GLY A 60 9.771 -11.787 6.178 1.00 45.02 C ATOM 951 O GLY A 60 10.802 -11.818 5.505 1.00 1.50 O ATOM 0 H GLY A 60 8.657 -11.379 8.897 1.00 34.53 H new ATOM 0 HA2 GLY A 60 10.644 -12.182 8.097 1.00 71.24 H new ATOM 0 HA3 GLY A 60 9.848 -13.566 7.373 1.00 71.24 H new ATOM 955 N VAL A 61 8.679 -11.141 5.781 1.00 2.33 N ATOM 956 CA VAL A 61 8.466 -10.565 4.464 1.00 2.31 C ATOM 957 C VAL A 61 8.770 -9.080 4.508 1.00 53.32 C ATOM 958 O VAL A 61 8.189 -8.348 5.312 1.00 71.33 O ATOM 959 CB VAL A 61 7.000 -10.748 4.020 1.00 21.23 C ATOM 960 CG1 VAL A 61 6.879 -10.461 2.509 1.00 33.14 C ATOM 961 CG2 VAL A 61 6.417 -12.131 4.330 1.00 42.42 C ATOM 0 H VAL A 61 7.882 -11.000 6.402 1.00 2.33 H new ATOM 0 HA VAL A 61 9.124 -11.071 3.758 1.00 2.31 H new ATOM 0 HB VAL A 61 6.415 -10.036 4.603 1.00 21.23 H new ATOM 0 HG11 VAL A 61 5.843 -10.590 2.196 1.00 33.14 H new ATOM 0 HG12 VAL A 61 7.194 -9.437 2.307 1.00 33.14 H new ATOM 0 HG13 VAL A 61 7.514 -11.152 1.955 1.00 33.14 H new ATOM 0 HG21 VAL A 61 5.384 -12.176 3.986 1.00 42.42 H new ATOM 0 HG22 VAL A 61 7.003 -12.896 3.820 1.00 42.42 H new ATOM 0 HG23 VAL A 61 6.449 -12.307 5.405 1.00 42.42 H new ATOM 971 N ARG A 62 9.572 -8.639 3.541 1.00 44.30 N ATOM 972 CA ARG A 62 9.907 -7.246 3.275 1.00 62.41 C ATOM 973 C ARG A 62 8.660 -6.362 3.337 1.00 2.23 C ATOM 974 O ARG A 62 8.525 -5.522 4.224 1.00 54.11 O ATOM 975 CB ARG A 62 10.513 -7.135 1.871 1.00 62.31 C ATOM 976 CG ARG A 62 11.867 -7.787 1.573 1.00 34.41 C ATOM 977 CD ARG A 62 11.800 -9.268 1.180 1.00 42.12 C ATOM 978 NE ARG A 62 13.041 -9.650 0.490 1.00 22.34 N ATOM 979 CZ ARG A 62 14.120 -10.230 1.034 1.00 70.43 C ATOM 980 NH1 ARG A 62 14.097 -10.660 2.290 1.00 45.14 N ATOM 981 NH2 ARG A 62 15.219 -10.368 0.303 1.00 33.32 N ATOM 0 H ARG A 62 10.028 -9.278 2.890 1.00 44.30 H new ATOM 0 HA ARG A 62 10.617 -6.912 4.032 1.00 62.41 H new ATOM 0 HB2 ARG A 62 9.790 -7.553 1.171 1.00 62.31 H new ATOM 0 HB3 ARG A 62 10.605 -6.074 1.639 1.00 62.31 H new ATOM 0 HG2 ARG A 62 12.350 -7.234 0.767 1.00 34.41 H new ATOM 0 HG3 ARG A 62 12.502 -7.688 2.453 1.00 34.41 H new ATOM 0 HD2 ARG A 62 11.661 -9.885 2.068 1.00 42.12 H new ATOM 0 HD3 ARG A 62 10.942 -9.444 0.531 1.00 42.12 H new ATOM 0 HE ARG A 62 13.086 -9.452 -0.510 1.00 22.34 H new ATOM 0 HH11 ARG A 62 13.252 -10.550 2.851 1.00 45.14 H new ATOM 0 HH12 ARG A 62 14.924 -11.100 2.694 1.00 45.14 H new ATOM 0 HH21 ARG A 62 15.236 -10.034 -0.661 1.00 33.32 H new ATOM 0 HH22 ARG A 62 16.047 -10.808 0.705 1.00 33.32 H new ATOM 995 N CYS A 63 7.719 -6.581 2.415 1.00 41.54 N ATOM 996 CA CYS A 63 6.595 -5.681 2.177 1.00 64.54 C ATOM 997 C CYS A 63 7.084 -4.258 1.852 1.00 60.30 C ATOM 998 O CYS A 63 8.284 -3.985 1.806 1.00 50.01 O ATOM 999 CB CYS A 63 5.626 -5.702 3.374 1.00 12.03 C ATOM 1000 SG CYS A 63 5.372 -7.381 4.022 1.00 33.51 S ATOM 0 H CYS A 63 7.719 -7.400 1.807 1.00 41.54 H new ATOM 0 HA CYS A 63 6.046 -6.033 1.304 1.00 64.54 H new ATOM 0 HB2 CYS A 63 6.016 -5.064 4.167 1.00 12.03 H new ATOM 0 HB3 CYS A 63 4.667 -5.283 3.070 1.00 12.03 H new ATOM 0 HG CYS A 63 6.475 -7.810 4.559 1.00 33.51 H new ATOM 1006 N LEU A 64 6.152 -3.342 1.612 1.00 14.15 N ATOM 1007 CA LEU A 64 6.422 -1.925 1.434 1.00 11.42 C ATOM 1008 C LEU A 64 5.240 -1.205 2.054 1.00 73.31 C ATOM 1009 O LEU A 64 4.102 -1.442 1.634 1.00 30.14 O ATOM 1010 CB LEU A 64 6.573 -1.619 -0.060 1.00 62.53 C ATOM 1011 CG LEU A 64 6.963 -0.176 -0.423 1.00 22.41 C ATOM 1012 CD1 LEU A 64 8.225 0.347 0.263 1.00 30.10 C ATOM 1013 CD2 LEU A 64 7.227 -0.155 -1.926 1.00 54.35 C ATOM 0 H LEU A 64 5.162 -3.574 1.534 1.00 14.15 H new ATOM 0 HA LEU A 64 7.349 -1.604 1.909 1.00 11.42 H new ATOM 0 HB2 LEU A 64 7.325 -2.291 -0.473 1.00 62.53 H new ATOM 0 HB3 LEU A 64 5.630 -1.854 -0.554 1.00 62.53 H new ATOM 0 HG LEU A 64 6.144 0.464 -0.093 1.00 22.41 H new ATOM 0 HD11 LEU A 64 8.416 1.371 -0.058 1.00 30.10 H new ATOM 0 HD12 LEU A 64 8.087 0.325 1.344 1.00 30.10 H new ATOM 0 HD13 LEU A 64 9.073 -0.282 -0.008 1.00 30.10 H new ATOM 0 HD21 LEU A 64 7.508 0.853 -2.232 1.00 54.35 H new ATOM 0 HD22 LEU A 64 8.036 -0.845 -2.163 1.00 54.35 H new ATOM 0 HD23 LEU A 64 6.325 -0.457 -2.458 1.00 54.35 H new ATOM 1025 N ALA A 65 5.485 -0.429 3.108 1.00 53.32 N ATOM 1026 CA ALA A 65 4.472 0.392 3.716 1.00 72.01 C ATOM 1027 C ALA A 65 4.400 1.677 2.906 1.00 42.21 C ATOM 1028 O ALA A 65 5.422 2.151 2.396 1.00 42.32 O ATOM 1029 CB ALA A 65 4.849 0.611 5.177 1.00 40.10 C ATOM 0 H ALA A 65 6.399 -0.361 3.556 1.00 53.32 H new ATOM 0 HA ALA A 65 3.483 -0.065 3.713 1.00 72.01 H new ATOM 0 HB1 ALA A 65 4.094 1.232 5.659 1.00 40.10 H new ATOM 0 HB2 ALA A 65 4.906 -0.351 5.686 1.00 40.10 H new ATOM 0 HB3 ALA A 65 5.817 1.109 5.232 1.00 40.10 H new ATOM 1035 N VAL A 66 3.182 2.186 2.760 1.00 50.42 N ATOM 1036 CA VAL A 66 2.839 3.317 1.920 1.00 61.25 C ATOM 1037 C VAL A 66 1.933 4.192 2.780 1.00 41.02 C ATOM 1038 O VAL A 66 0.855 3.764 3.195 1.00 40.43 O ATOM 1039 CB VAL A 66 2.187 2.873 0.601 1.00 2.14 C ATOM 1040 CG1 VAL A 66 2.181 4.057 -0.364 1.00 42.21 C ATOM 1041 CG2 VAL A 66 2.901 1.679 -0.056 1.00 11.03 C ATOM 0 H VAL A 66 2.373 1.801 3.248 1.00 50.42 H new ATOM 0 HA VAL A 66 3.719 3.874 1.599 1.00 61.25 H new ATOM 0 HB VAL A 66 1.174 2.543 0.831 1.00 2.14 H new ATOM 0 HG11 VAL A 66 1.721 3.757 -1.305 1.00 42.21 H new ATOM 0 HG12 VAL A 66 1.613 4.879 0.072 1.00 42.21 H new ATOM 0 HG13 VAL A 66 3.205 4.382 -0.548 1.00 42.21 H new ATOM 0 HG21 VAL A 66 2.391 1.415 -0.983 1.00 11.03 H new ATOM 0 HG22 VAL A 66 3.934 1.948 -0.274 1.00 11.03 H new ATOM 0 HG23 VAL A 66 2.884 0.826 0.623 1.00 11.03 H new ATOM 1051 N ASP A 67 2.426 5.366 3.158 1.00 62.31 N ATOM 1052 CA ASP A 67 1.687 6.315 3.987 1.00 10.35 C ATOM 1053 C ASP A 67 0.605 6.987 3.133 1.00 21.43 C ATOM 1054 O ASP A 67 0.892 7.518 2.056 1.00 0.42 O ATOM 1055 CB ASP A 67 2.650 7.347 4.584 1.00 31.52 C ATOM 1056 CG ASP A 67 1.991 8.245 5.637 1.00 52.32 C ATOM 1057 OD1 ASP A 67 0.813 8.618 5.488 1.00 41.01 O ATOM 1058 OD2 ASP A 67 2.666 8.603 6.629 1.00 52.34 O ATOM 0 H ASP A 67 3.357 5.690 2.896 1.00 62.31 H new ATOM 0 HA ASP A 67 1.204 5.795 4.814 1.00 10.35 H new ATOM 0 HB2 ASP A 67 3.495 6.828 5.036 1.00 31.52 H new ATOM 0 HB3 ASP A 67 3.049 7.969 3.783 1.00 31.52 H new ATOM 1063 N LEU A 68 -0.643 6.965 3.606 1.00 71.40 N ATOM 1064 CA LEU A 68 -1.803 7.546 2.929 1.00 42.33 C ATOM 1065 C LEU A 68 -1.693 9.059 2.770 1.00 0.55 C ATOM 1066 O LEU A 68 -2.361 9.618 1.908 1.00 34.32 O ATOM 1067 CB LEU A 68 -3.093 7.212 3.698 1.00 25.13 C ATOM 1068 CG LEU A 68 -3.993 6.201 2.981 1.00 64.34 C ATOM 1069 CD1 LEU A 68 -5.014 5.643 3.979 1.00 61.12 C ATOM 1070 CD2 LEU A 68 -4.697 6.875 1.793 1.00 22.41 C ATOM 0 H LEU A 68 -0.881 6.529 4.497 1.00 71.40 H new ATOM 0 HA LEU A 68 -1.834 7.107 1.932 1.00 42.33 H new ATOM 0 HB2 LEU A 68 -2.829 6.818 4.679 1.00 25.13 H new ATOM 0 HB3 LEU A 68 -3.655 8.131 3.864 1.00 25.13 H new ATOM 0 HG LEU A 68 -3.392 5.378 2.594 1.00 64.34 H new ATOM 0 HD11 LEU A 68 -5.658 4.922 3.476 1.00 61.12 H new ATOM 0 HD12 LEU A 68 -4.490 5.151 4.799 1.00 61.12 H new ATOM 0 HD13 LEU A 68 -5.620 6.458 4.373 1.00 61.12 H new ATOM 0 HD21 LEU A 68 -5.335 6.149 1.289 1.00 22.41 H new ATOM 0 HD22 LEU A 68 -5.306 7.704 2.154 1.00 22.41 H new ATOM 0 HD23 LEU A 68 -3.951 7.250 1.093 1.00 22.41 H new ATOM 1082 N LYS A 69 -0.843 9.743 3.542 1.00 25.32 N ATOM 1083 CA LYS A 69 -0.602 11.179 3.404 1.00 42.32 C ATOM 1084 C LYS A 69 -0.173 11.514 1.975 1.00 42.32 C ATOM 1085 O LYS A 69 -0.487 12.599 1.495 1.00 40.32 O ATOM 1086 CB LYS A 69 0.445 11.616 4.448 1.00 73.23 C ATOM 1087 CG LYS A 69 0.378 13.094 4.866 1.00 54.43 C ATOM 1088 CD LYS A 69 0.946 14.094 3.850 1.00 40.33 C ATOM 1089 CE LYS A 69 -0.110 15.089 3.361 1.00 22.01 C ATOM 1090 NZ LYS A 69 -0.446 16.160 4.322 1.00 31.53 N ATOM 0 H LYS A 69 -0.298 9.309 4.287 1.00 25.32 H new ATOM 0 HA LYS A 69 -1.521 11.733 3.593 1.00 42.32 H new ATOM 0 HB2 LYS A 69 0.327 10.998 5.338 1.00 73.23 H new ATOM 0 HB3 LYS A 69 1.439 11.413 4.049 1.00 73.23 H new ATOM 0 HG2 LYS A 69 -0.663 13.352 5.060 1.00 54.43 H new ATOM 0 HG3 LYS A 69 0.917 13.212 5.806 1.00 54.43 H new ATOM 0 HD2 LYS A 69 1.773 14.640 4.304 1.00 40.33 H new ATOM 0 HD3 LYS A 69 1.353 13.551 2.997 1.00 40.33 H new ATOM 0 HE2 LYS A 69 0.243 15.547 2.437 1.00 22.01 H new ATOM 0 HE3 LYS A 69 -1.020 14.541 3.117 1.00 22.01 H new ATOM 0 HZ1 LYS A 69 -1.385 16.547 4.097 1.00 31.53 H new ATOM 0 HZ2 LYS A 69 -0.454 15.771 5.286 1.00 31.53 H new ATOM 0 HZ3 LYS A 69 0.264 16.917 4.260 1.00 31.53 H new ATOM 1104 N LEU A 70 0.477 10.589 1.262 1.00 22.44 N ATOM 1105 CA LEU A 70 0.789 10.761 -0.152 1.00 33.44 C ATOM 1106 C LEU A 70 -0.468 11.054 -0.978 1.00 32.03 C ATOM 1107 O LEU A 70 -0.403 11.912 -1.846 1.00 2.11 O ATOM 1108 CB LEU A 70 1.550 9.530 -0.665 1.00 52.10 C ATOM 1109 CG LEU A 70 1.786 9.494 -2.191 1.00 13.43 C ATOM 1110 CD1 LEU A 70 2.754 10.594 -2.639 1.00 21.15 C ATOM 1111 CD2 LEU A 70 2.368 8.140 -2.605 1.00 64.14 C ATOM 0 H LEU A 70 0.799 9.703 1.652 1.00 22.44 H new ATOM 0 HA LEU A 70 1.433 11.632 -0.268 1.00 33.44 H new ATOM 0 HB2 LEU A 70 2.516 9.484 -0.163 1.00 52.10 H new ATOM 0 HB3 LEU A 70 0.998 8.635 -0.377 1.00 52.10 H new ATOM 0 HG LEU A 70 0.820 9.655 -2.669 1.00 13.43 H new ATOM 0 HD11 LEU A 70 2.895 10.537 -3.718 1.00 21.15 H new ATOM 0 HD12 LEU A 70 2.343 11.569 -2.378 1.00 21.15 H new ATOM 0 HD13 LEU A 70 3.714 10.460 -2.140 1.00 21.15 H new ATOM 0 HD21 LEU A 70 2.530 8.128 -3.683 1.00 64.14 H new ATOM 0 HD22 LEU A 70 3.317 7.980 -2.094 1.00 64.14 H new ATOM 0 HD23 LEU A 70 1.672 7.346 -2.333 1.00 64.14 H new ATOM 1123 N LYS A 71 -1.615 10.420 -0.709 1.00 0.11 N ATOM 1124 CA LYS A 71 -2.865 10.671 -1.442 1.00 12.44 C ATOM 1125 C LYS A 71 -3.279 12.139 -1.339 1.00 12.44 C ATOM 1126 O LYS A 71 -3.832 12.679 -2.288 1.00 11.32 O ATOM 1127 CB LYS A 71 -3.964 9.754 -0.869 1.00 44.33 C ATOM 1128 CG LYS A 71 -5.354 9.815 -1.535 1.00 14.24 C ATOM 1129 CD LYS A 71 -5.521 8.783 -2.654 1.00 54.20 C ATOM 1130 CE LYS A 71 -6.989 8.612 -3.080 1.00 43.25 C ATOM 1131 NZ LYS A 71 -7.430 9.523 -4.154 1.00 72.31 N ATOM 0 H LYS A 71 -1.705 9.717 0.024 1.00 0.11 H new ATOM 0 HA LYS A 71 -2.714 10.451 -2.499 1.00 12.44 H new ATOM 0 HB2 LYS A 71 -3.608 8.725 -0.925 1.00 44.33 H new ATOM 0 HB3 LYS A 71 -4.085 9.992 0.188 1.00 44.33 H new ATOM 0 HG2 LYS A 71 -6.122 9.652 -0.779 1.00 14.24 H new ATOM 0 HG3 LYS A 71 -5.514 10.814 -1.941 1.00 14.24 H new ATOM 0 HD2 LYS A 71 -4.928 9.087 -3.517 1.00 54.20 H new ATOM 0 HD3 LYS A 71 -5.128 7.823 -2.320 1.00 54.20 H new ATOM 0 HE2 LYS A 71 -7.140 7.584 -3.409 1.00 43.25 H new ATOM 0 HE3 LYS A 71 -7.626 8.764 -2.209 1.00 43.25 H new ATOM 0 HZ1 LYS A 71 -8.429 9.339 -4.377 1.00 72.31 H new ATOM 0 HZ2 LYS A 71 -7.321 10.508 -3.840 1.00 72.31 H new ATOM 0 HZ3 LYS A 71 -6.851 9.365 -5.003 1.00 72.31 H new ATOM 1145 N ASP A 72 -3.003 12.790 -0.212 1.00 13.05 N ATOM 1146 CA ASP A 72 -3.403 14.172 0.049 1.00 61.13 C ATOM 1147 C ASP A 72 -2.611 15.178 -0.786 1.00 42.10 C ATOM 1148 O ASP A 72 -3.071 16.290 -1.030 1.00 20.23 O ATOM 1149 CB ASP A 72 -3.119 14.461 1.518 1.00 71.01 C ATOM 1150 CG ASP A 72 -3.700 15.770 2.045 1.00 30.50 C ATOM 1151 OD1 ASP A 72 -4.871 16.083 1.736 1.00 24.41 O ATOM 1152 OD2 ASP A 72 -3.020 16.386 2.904 1.00 62.11 O ATOM 0 H ASP A 72 -2.487 12.366 0.559 1.00 13.05 H new ATOM 0 HA ASP A 72 -4.457 14.277 -0.209 1.00 61.13 H new ATOM 0 HB2 ASP A 72 -3.513 13.640 2.116 1.00 71.01 H new ATOM 0 HB3 ASP A 72 -2.039 14.475 1.667 1.00 71.01 H new ATOM 1157 N THR A 73 -1.396 14.801 -1.189 1.00 75.45 N ATOM 1158 CA THR A 73 -0.425 15.688 -1.829 1.00 61.54 C ATOM 1159 C THR A 73 -0.065 15.217 -3.252 1.00 72.53 C ATOM 1160 O THR A 73 0.516 15.968 -4.044 1.00 11.22 O ATOM 1161 CB THR A 73 0.767 15.851 -0.861 1.00 71.30 C ATOM 1162 OG1 THR A 73 1.570 16.973 -1.179 1.00 43.31 O ATOM 1163 CG2 THR A 73 1.648 14.599 -0.756 1.00 41.11 C ATOM 0 H THR A 73 -1.053 13.847 -1.076 1.00 75.45 H new ATOM 0 HA THR A 73 -0.845 16.679 -2.003 1.00 61.54 H new ATOM 0 HB THR A 73 0.307 16.012 0.114 1.00 71.30 H new ATOM 0 HG1 THR A 73 2.310 17.037 -0.540 1.00 43.31 H new ATOM 0 HG21 THR A 73 2.465 14.786 -0.059 1.00 41.11 H new ATOM 0 HG22 THR A 73 1.049 13.762 -0.397 1.00 41.11 H new ATOM 0 HG23 THR A 73 2.056 14.358 -1.737 1.00 41.11 H new ATOM 1171 N ASN A 74 -0.421 13.981 -3.607 1.00 31.33 N ATOM 1172 CA ASN A 74 -0.303 13.369 -4.920 1.00 13.22 C ATOM 1173 C ASN A 74 -1.237 12.149 -4.997 1.00 31.23 C ATOM 1174 O ASN A 74 -0.785 11.002 -4.892 1.00 74.34 O ATOM 1175 CB ASN A 74 1.151 12.962 -5.207 1.00 34.14 C ATOM 1176 CG ASN A 74 1.278 12.321 -6.579 1.00 13.30 C ATOM 1177 OD1 ASN A 74 0.388 12.445 -7.414 1.00 63.31 O ATOM 1178 ND2 ASN A 74 2.371 11.628 -6.842 1.00 73.13 N ATOM 0 H ASN A 74 -0.829 13.338 -2.928 1.00 31.33 H new ATOM 0 HA ASN A 74 -0.596 14.094 -5.679 1.00 13.22 H new ATOM 0 HB2 ASN A 74 1.795 13.839 -5.151 1.00 34.14 H new ATOM 0 HB3 ASN A 74 1.494 12.265 -4.443 1.00 34.14 H new ATOM 0 HD21 ASN A 74 2.487 11.184 -7.753 1.00 73.13 H new ATOM 0 HD22 ASN A 74 3.100 11.537 -6.134 1.00 73.13 H new ATOM 1185 N PRO A 75 -2.548 12.361 -5.198 1.00 44.40 N ATOM 1186 CA PRO A 75 -3.489 11.264 -5.346 1.00 2.14 C ATOM 1187 C PRO A 75 -3.240 10.477 -6.631 1.00 64.43 C ATOM 1188 O PRO A 75 -3.555 9.292 -6.671 1.00 34.14 O ATOM 1189 CB PRO A 75 -4.879 11.902 -5.319 1.00 72.02 C ATOM 1190 CG PRO A 75 -4.643 13.338 -5.776 1.00 72.30 C ATOM 1191 CD PRO A 75 -3.227 13.645 -5.295 1.00 22.20 C ATOM 0 HA PRO A 75 -3.380 10.534 -4.544 1.00 2.14 H new ATOM 0 HB2 PRO A 75 -5.569 11.381 -5.983 1.00 72.02 H new ATOM 0 HB3 PRO A 75 -5.313 11.869 -4.320 1.00 72.02 H new ATOM 0 HG2 PRO A 75 -4.727 13.432 -6.859 1.00 72.30 H new ATOM 0 HG3 PRO A 75 -5.371 14.022 -5.339 1.00 72.30 H new ATOM 0 HD2 PRO A 75 -2.713 14.306 -5.993 1.00 22.20 H new ATOM 0 HD3 PRO A 75 -3.244 14.151 -4.330 1.00 22.20 H new ATOM 1199 N GLU A 76 -2.660 11.099 -7.658 1.00 23.45 N ATOM 1200 CA GLU A 76 -2.415 10.527 -8.976 1.00 71.21 C ATOM 1201 C GLU A 76 -1.371 9.414 -8.890 1.00 4.21 C ATOM 1202 O GLU A 76 -1.593 8.306 -9.383 1.00 52.45 O ATOM 1203 CB GLU A 76 -1.932 11.680 -9.858 1.00 41.52 C ATOM 1204 CG GLU A 76 -1.640 11.300 -11.306 1.00 71.14 C ATOM 1205 CD GLU A 76 -1.059 12.493 -12.061 1.00 53.44 C ATOM 1206 OE1 GLU A 76 -1.690 13.576 -12.040 1.00 34.45 O ATOM 1207 OE2 GLU A 76 0.030 12.369 -12.675 1.00 23.15 O ATOM 0 H GLU A 76 -2.333 12.063 -7.586 1.00 23.45 H new ATOM 0 HA GLU A 76 -3.315 10.074 -9.392 1.00 71.21 H new ATOM 0 HB2 GLU A 76 -2.687 12.466 -9.849 1.00 41.52 H new ATOM 0 HB3 GLU A 76 -1.028 12.101 -9.418 1.00 41.52 H new ATOM 0 HG2 GLU A 76 -0.939 10.466 -11.336 1.00 71.14 H new ATOM 0 HG3 GLU A 76 -2.556 10.964 -11.793 1.00 71.14 H new ATOM 1214 N GLY A 77 -0.254 9.694 -8.220 1.00 64.42 N ATOM 1215 CA GLY A 77 0.773 8.707 -7.924 1.00 23.42 C ATOM 1216 C GLY A 77 0.190 7.577 -7.092 1.00 44.14 C ATOM 1217 O GLY A 77 0.356 6.413 -7.450 1.00 65.03 O ATOM 0 H GLY A 77 -0.038 10.625 -7.865 1.00 64.42 H new ATOM 0 HA2 GLY A 77 1.185 8.310 -8.852 1.00 23.42 H new ATOM 0 HA3 GLY A 77 1.596 9.178 -7.386 1.00 23.42 H new ATOM 1221 N PHE A 78 -0.558 7.912 -6.034 1.00 33.35 N ATOM 1222 CA PHE A 78 -1.241 6.927 -5.193 1.00 14.25 C ATOM 1223 C PHE A 78 -2.147 6.001 -6.031 1.00 23.25 C ATOM 1224 O PHE A 78 -2.300 4.813 -5.734 1.00 44.02 O ATOM 1225 CB PHE A 78 -1.987 7.652 -4.059 1.00 55.41 C ATOM 1226 CG PHE A 78 -2.344 6.775 -2.870 1.00 42.54 C ATOM 1227 CD1 PHE A 78 -3.513 5.996 -2.889 1.00 53.33 C ATOM 1228 CD2 PHE A 78 -1.511 6.739 -1.734 1.00 4.33 C ATOM 1229 CE1 PHE A 78 -3.840 5.193 -1.783 1.00 55.15 C ATOM 1230 CE2 PHE A 78 -1.800 5.876 -0.661 1.00 12.04 C ATOM 1231 CZ PHE A 78 -2.968 5.095 -0.687 1.00 11.13 C ATOM 0 H PHE A 78 -0.706 8.877 -5.738 1.00 33.35 H new ATOM 0 HA PHE A 78 -0.506 6.267 -4.731 1.00 14.25 H new ATOM 0 HB2 PHE A 78 -1.371 8.481 -3.710 1.00 55.41 H new ATOM 0 HB3 PHE A 78 -2.903 8.083 -4.463 1.00 55.41 H new ATOM 0 HD1 PHE A 78 -4.160 6.014 -3.753 1.00 53.33 H new ATOM 0 HD2 PHE A 78 -0.643 7.380 -1.687 1.00 4.33 H new ATOM 0 HE1 PHE A 78 -4.771 4.646 -1.776 1.00 55.15 H new ATOM 0 HE2 PHE A 78 -1.126 5.814 0.181 1.00 12.04 H new ATOM 0 HZ PHE A 78 -3.193 4.425 0.129 1.00 11.13 H new ATOM 1241 N ASN A 79 -2.711 6.533 -7.115 1.00 33.20 N ATOM 1242 CA ASN A 79 -3.612 5.875 -8.058 1.00 24.33 C ATOM 1243 C ASN A 79 -2.899 4.826 -8.907 1.00 11.32 C ATOM 1244 O ASN A 79 -3.444 3.740 -9.117 1.00 43.03 O ATOM 1245 CB ASN A 79 -4.225 6.959 -8.961 1.00 45.41 C ATOM 1246 CG ASN A 79 -5.727 7.003 -9.070 1.00 55.04 C ATOM 1247 OD1 ASN A 79 -6.448 6.794 -8.098 1.00 44.24 O ATOM 1248 ND2 ASN A 79 -6.201 7.459 -10.211 1.00 42.24 N ATOM 0 H ASN A 79 -2.537 7.504 -7.375 1.00 33.20 H new ATOM 0 HA ASN A 79 -4.384 5.348 -7.497 1.00 24.33 H new ATOM 0 HB2 ASN A 79 -3.885 7.930 -8.600 1.00 45.41 H new ATOM 0 HB3 ASN A 79 -3.818 6.831 -9.964 1.00 45.41 H new ATOM 0 HD21 ASN A 79 -7.198 7.651 -10.309 1.00 42.24 H new ATOM 0 HD22 ASN A 79 -5.571 7.620 -10.997 1.00 42.24 H new ATOM 1255 N GLN A 80 -1.698 5.130 -9.407 1.00 40.40 N ATOM 1256 CA GLN A 80 -0.871 4.151 -10.104 1.00 51.34 C ATOM 1257 C GLN A 80 -0.344 3.113 -9.112 1.00 20.13 C ATOM 1258 O GLN A 80 -0.329 1.918 -9.406 1.00 40.52 O ATOM 1259 CB GLN A 80 0.305 4.853 -10.803 1.00 75.15 C ATOM 1260 CG GLN A 80 -0.120 5.654 -12.047 1.00 23.22 C ATOM 1261 CD GLN A 80 1.012 5.834 -13.066 1.00 0.20 C ATOM 1262 OE1 GLN A 80 1.692 4.889 -13.461 1.00 21.45 O ATOM 1263 NE2 GLN A 80 1.281 7.044 -13.525 1.00 5.12 N ATOM 0 H GLN A 80 -1.277 6.057 -9.339 1.00 40.40 H new ATOM 0 HA GLN A 80 -1.479 3.648 -10.856 1.00 51.34 H new ATOM 0 HB2 GLN A 80 0.792 5.524 -10.095 1.00 75.15 H new ATOM 0 HB3 GLN A 80 1.044 4.107 -11.094 1.00 75.15 H new ATOM 0 HG2 GLN A 80 -0.957 5.148 -12.529 1.00 23.22 H new ATOM 0 HG3 GLN A 80 -0.478 6.635 -11.735 1.00 23.22 H new ATOM 0 HE21 GLN A 80 0.730 7.843 -13.211 1.00 5.12 H new ATOM 0 HE22 GLN A 80 2.040 7.179 -14.193 1.00 5.12 H new ATOM 1272 N LEU A 81 0.075 3.558 -7.924 1.00 64.41 N ATOM 1273 CA LEU A 81 0.789 2.717 -6.973 1.00 13.21 C ATOM 1274 C LEU A 81 -0.037 1.516 -6.562 1.00 74.32 C ATOM 1275 O LEU A 81 0.469 0.397 -6.526 1.00 55.24 O ATOM 1276 CB LEU A 81 1.153 3.522 -5.719 1.00 54.21 C ATOM 1277 CG LEU A 81 2.447 2.978 -5.081 1.00 11.12 C ATOM 1278 CD1 LEU A 81 3.381 4.094 -4.610 1.00 2.24 C ATOM 1279 CD2 LEU A 81 2.141 2.014 -3.924 1.00 24.24 C ATOM 0 H LEU A 81 -0.074 4.513 -7.599 1.00 64.41 H new ATOM 0 HA LEU A 81 1.695 2.366 -7.468 1.00 13.21 H new ATOM 0 HB2 LEU A 81 1.283 4.572 -5.980 1.00 54.21 H new ATOM 0 HB3 LEU A 81 0.337 3.472 -4.998 1.00 54.21 H new ATOM 0 HG LEU A 81 2.965 2.426 -5.865 1.00 11.12 H new ATOM 0 HD11 LEU A 81 4.277 3.657 -4.169 1.00 2.24 H new ATOM 0 HD12 LEU A 81 3.662 4.716 -5.460 1.00 2.24 H new ATOM 0 HD13 LEU A 81 2.871 4.705 -3.865 1.00 2.24 H new ATOM 0 HD21 LEU A 81 3.075 1.650 -3.497 1.00 24.24 H new ATOM 0 HD22 LEU A 81 1.571 2.537 -3.156 1.00 24.24 H new ATOM 0 HD23 LEU A 81 1.559 1.171 -4.297 1.00 24.24 H new ATOM 1291 N MET A 82 -1.306 1.747 -6.218 1.00 0.00 N ATOM 1292 CA MET A 82 -2.139 0.631 -5.786 1.00 1.33 C ATOM 1293 C MET A 82 -2.411 -0.337 -6.931 1.00 32.41 C ATOM 1294 O MET A 82 -2.450 -1.548 -6.714 1.00 44.50 O ATOM 1295 CB MET A 82 -3.458 1.131 -5.228 1.00 72.13 C ATOM 1296 CG MET A 82 -3.226 1.971 -3.968 1.00 21.53 C ATOM 1297 SD MET A 82 -4.739 2.284 -3.050 1.00 23.14 S ATOM 1298 CE MET A 82 -4.800 0.733 -2.147 1.00 34.43 C ATOM 0 H MET A 82 -1.762 2.659 -6.229 1.00 0.00 H new ATOM 0 HA MET A 82 -1.592 0.103 -5.005 1.00 1.33 H new ATOM 0 HB2 MET A 82 -3.974 1.728 -5.980 1.00 72.13 H new ATOM 0 HB3 MET A 82 -4.104 0.285 -4.994 1.00 72.13 H new ATOM 0 HG2 MET A 82 -2.514 1.458 -3.321 1.00 21.53 H new ATOM 0 HG3 MET A 82 -2.774 2.922 -4.249 1.00 21.53 H new ATOM 0 HE1 MET A 82 -5.708 0.698 -1.545 1.00 34.43 H new ATOM 0 HE2 MET A 82 -4.799 -0.099 -2.852 1.00 34.43 H new ATOM 0 HE3 MET A 82 -3.930 0.657 -1.495 1.00 34.43 H new ATOM 1308 N HIS A 83 -2.575 0.173 -8.156 1.00 23.14 N ATOM 1309 CA HIS A 83 -2.830 -0.661 -9.316 1.00 0.04 C ATOM 1310 C HIS A 83 -1.687 -1.637 -9.552 1.00 60.23 C ATOM 1311 O HIS A 83 -1.930 -2.779 -9.925 1.00 51.21 O ATOM 1312 CB HIS A 83 -3.036 0.218 -10.544 1.00 13.15 C ATOM 1313 CG HIS A 83 -3.395 -0.578 -11.775 1.00 61.15 C ATOM 1314 ND1 HIS A 83 -2.790 -0.468 -13.004 1.00 53.04 N ATOM 1315 CD2 HIS A 83 -4.249 -1.646 -11.836 1.00 23.44 C ATOM 1316 CE1 HIS A 83 -3.267 -1.446 -13.787 1.00 33.02 C ATOM 1317 NE2 HIS A 83 -4.175 -2.187 -13.126 1.00 51.02 N ATOM 0 H HIS A 83 -2.534 1.171 -8.362 1.00 23.14 H new ATOM 0 HA HIS A 83 -3.733 -1.243 -9.132 1.00 0.04 H new ATOM 0 HB2 HIS A 83 -3.826 0.941 -10.340 1.00 13.15 H new ATOM 0 HB3 HIS A 83 -2.126 0.786 -10.736 1.00 13.15 H new ATOM 0 HD2 HIS A 83 -4.871 -2.008 -11.031 1.00 23.44 H new ATOM 0 HE1 HIS A 83 -2.964 -1.616 -14.809 1.00 33.02 H new ATOM 0 HE2 HIS A 83 -4.702 -2.981 -13.490 1.00 51.02 H new ATOM 1325 N PHE A 84 -0.454 -1.214 -9.292 1.00 64.13 N ATOM 1326 CA PHE A 84 0.708 -2.097 -9.342 1.00 52.32 C ATOM 1327 C PHE A 84 0.529 -3.321 -8.430 1.00 13.05 C ATOM 1328 O PHE A 84 0.837 -4.446 -8.834 1.00 45.21 O ATOM 1329 CB PHE A 84 1.978 -1.298 -9.031 1.00 61.32 C ATOM 1330 CG PHE A 84 3.239 -2.130 -9.052 1.00 61.52 C ATOM 1331 CD1 PHE A 84 3.641 -2.817 -7.894 1.00 44.02 C ATOM 1332 CD2 PHE A 84 4.015 -2.216 -10.219 1.00 55.52 C ATOM 1333 CE1 PHE A 84 4.828 -3.568 -7.896 1.00 42.44 C ATOM 1334 CE2 PHE A 84 5.196 -2.975 -10.220 1.00 44.51 C ATOM 1335 CZ PHE A 84 5.607 -3.653 -9.059 1.00 0.23 C ATOM 0 H PHE A 84 -0.231 -0.251 -9.041 1.00 64.13 H new ATOM 0 HA PHE A 84 0.809 -2.497 -10.351 1.00 52.32 H new ATOM 0 HB2 PHE A 84 2.075 -0.489 -9.756 1.00 61.32 H new ATOM 0 HB3 PHE A 84 1.875 -0.836 -8.049 1.00 61.32 H new ATOM 0 HD1 PHE A 84 3.036 -2.767 -7.001 1.00 44.02 H new ATOM 0 HD2 PHE A 84 3.704 -1.699 -11.115 1.00 55.52 H new ATOM 0 HE1 PHE A 84 5.142 -4.082 -6.999 1.00 42.44 H new ATOM 0 HE2 PHE A 84 5.792 -3.038 -11.118 1.00 44.51 H new ATOM 0 HZ PHE A 84 6.517 -4.235 -9.063 1.00 0.23 H new ATOM 1345 N ALA A 85 0.000 -3.142 -7.215 1.00 23.42 N ATOM 1346 CA ALA A 85 -0.278 -4.263 -6.322 1.00 72.51 C ATOM 1347 C ALA A 85 -1.415 -5.140 -6.865 1.00 3.32 C ATOM 1348 O ALA A 85 -1.311 -6.369 -6.827 1.00 44.31 O ATOM 1349 CB ALA A 85 -0.603 -3.755 -4.918 1.00 21.40 C ATOM 0 H ALA A 85 -0.243 -2.229 -6.831 1.00 23.42 H new ATOM 0 HA ALA A 85 0.617 -4.883 -6.267 1.00 72.51 H new ATOM 0 HB1 ALA A 85 -0.808 -4.602 -4.263 1.00 21.40 H new ATOM 0 HB2 ALA A 85 0.246 -3.193 -4.529 1.00 21.40 H new ATOM 0 HB3 ALA A 85 -1.479 -3.108 -4.959 1.00 21.40 H new ATOM 1355 N THR A 86 -2.483 -4.531 -7.387 1.00 65.34 N ATOM 1356 CA THR A 86 -3.579 -5.235 -8.046 1.00 15.20 C ATOM 1357 C THR A 86 -3.034 -6.114 -9.187 1.00 50.00 C ATOM 1358 O THR A 86 -3.338 -7.308 -9.234 1.00 52.30 O ATOM 1359 CB THR A 86 -4.628 -4.200 -8.509 1.00 64.22 C ATOM 1360 OG1 THR A 86 -5.006 -3.346 -7.440 1.00 71.44 O ATOM 1361 CG2 THR A 86 -5.902 -4.827 -9.071 1.00 62.05 C ATOM 0 H THR A 86 -2.610 -3.519 -7.362 1.00 65.34 H new ATOM 0 HA THR A 86 -4.077 -5.916 -7.356 1.00 15.20 H new ATOM 0 HB THR A 86 -4.137 -3.642 -9.307 1.00 64.22 H new ATOM 0 HG1 THR A 86 -5.669 -2.698 -7.758 1.00 71.44 H new ATOM 0 HG21 THR A 86 -6.591 -4.040 -9.375 1.00 62.05 H new ATOM 0 HG22 THR A 86 -5.653 -5.445 -9.934 1.00 62.05 H new ATOM 0 HG23 THR A 86 -6.372 -5.445 -8.306 1.00 62.05 H new ATOM 1369 N GLU A 87 -2.186 -5.552 -10.053 1.00 1.31 N ATOM 1370 CA GLU A 87 -1.576 -6.201 -11.207 1.00 24.22 C ATOM 1371 C GLU A 87 -0.752 -7.410 -10.796 1.00 42.22 C ATOM 1372 O GLU A 87 -0.934 -8.485 -11.362 1.00 34.13 O ATOM 1373 CB GLU A 87 -0.677 -5.192 -11.952 1.00 43.45 C ATOM 1374 CG GLU A 87 -1.382 -4.484 -13.106 1.00 41.03 C ATOM 1375 CD GLU A 87 -1.743 -5.434 -14.244 1.00 64.34 C ATOM 1376 OE1 GLU A 87 -0.829 -5.991 -14.893 1.00 3.14 O ATOM 1377 OE2 GLU A 87 -2.951 -5.592 -14.539 1.00 72.50 O ATOM 0 H GLU A 87 -1.894 -4.579 -9.959 1.00 1.31 H new ATOM 0 HA GLU A 87 -2.376 -6.545 -11.863 1.00 24.22 H new ATOM 0 HB2 GLU A 87 -0.318 -4.446 -11.244 1.00 43.45 H new ATOM 0 HB3 GLU A 87 0.199 -5.714 -12.337 1.00 43.45 H new ATOM 0 HG2 GLU A 87 -2.289 -4.006 -12.735 1.00 41.03 H new ATOM 0 HG3 GLU A 87 -0.738 -3.692 -13.489 1.00 41.03 H new ATOM 1384 N ASN A 88 0.141 -7.258 -9.813 1.00 31.31 N ATOM 1385 CA ASN A 88 1.084 -8.312 -9.452 1.00 72.23 C ATOM 1386 C ASN A 88 0.423 -9.351 -8.543 1.00 73.11 C ATOM 1387 O ASN A 88 1.095 -10.244 -8.024 1.00 15.41 O ATOM 1388 CB ASN A 88 2.368 -7.723 -8.841 1.00 33.33 C ATOM 1389 CG ASN A 88 3.239 -7.023 -9.874 1.00 21.11 C ATOM 1390 OD1 ASN A 88 4.141 -7.623 -10.449 1.00 61.30 O ATOM 1391 ND2 ASN A 88 3.024 -5.745 -10.120 1.00 21.11 N ATOM 0 H ASN A 88 0.228 -6.410 -9.253 1.00 31.31 H new ATOM 0 HA ASN A 88 1.382 -8.833 -10.362 1.00 72.23 H new ATOM 0 HB2 ASN A 88 2.101 -7.015 -8.056 1.00 33.33 H new ATOM 0 HB3 ASN A 88 2.941 -8.521 -8.369 1.00 33.33 H new ATOM 0 HD21 ASN A 88 3.610 -5.249 -10.792 1.00 21.11 H new ATOM 0 HD22 ASN A 88 2.272 -5.252 -9.638 1.00 21.11 H new ATOM 1398 N GLN A 89 -0.896 -9.245 -8.342 1.00 61.12 N ATOM 1399 CA GLN A 89 -1.700 -10.024 -7.415 1.00 43.14 C ATOM 1400 C GLN A 89 -1.169 -9.948 -5.985 1.00 74.01 C ATOM 1401 O GLN A 89 -1.344 -10.894 -5.217 1.00 55.22 O ATOM 1402 CB GLN A 89 -1.904 -11.479 -7.875 1.00 70.41 C ATOM 1403 CG GLN A 89 -2.273 -11.664 -9.357 1.00 4.12 C ATOM 1404 CD GLN A 89 -1.048 -12.065 -10.176 1.00 12.42 C ATOM 1405 OE1 GLN A 89 -0.501 -13.146 -9.964 1.00 40.43 O ATOM 1406 NE2 GLN A 89 -0.556 -11.228 -11.071 1.00 23.40 N ATOM 0 H GLN A 89 -1.458 -8.568 -8.859 1.00 61.12 H new ATOM 0 HA GLN A 89 -2.687 -9.562 -7.415 1.00 43.14 H new ATOM 0 HB2 GLN A 89 -0.988 -12.036 -7.675 1.00 70.41 H new ATOM 0 HB3 GLN A 89 -2.689 -11.927 -7.265 1.00 70.41 H new ATOM 0 HG2 GLN A 89 -3.045 -12.428 -9.451 1.00 4.12 H new ATOM 0 HG3 GLN A 89 -2.691 -10.738 -9.750 1.00 4.12 H new ATOM 0 HE21 GLN A 89 -1.016 -10.334 -11.240 1.00 23.40 H new ATOM 0 HE22 GLN A 89 0.284 -11.476 -11.593 1.00 23.40 H new ATOM 1415 N LEU A 90 -0.477 -8.867 -5.626 1.00 2.51 N ATOM 1416 CA LEU A 90 0.109 -8.707 -4.306 1.00 74.21 C ATOM 1417 C LEU A 90 -0.996 -8.428 -3.293 1.00 35.15 C ATOM 1418 O LEU A 90 -2.019 -7.818 -3.611 1.00 63.30 O ATOM 1419 CB LEU A 90 1.202 -7.625 -4.323 1.00 51.00 C ATOM 1420 CG LEU A 90 2.433 -8.078 -5.134 1.00 21.14 C ATOM 1421 CD1 LEU A 90 3.406 -6.926 -5.402 1.00 42.20 C ATOM 1422 CD2 LEU A 90 3.208 -9.196 -4.441 1.00 25.14 C ATOM 0 H LEU A 90 -0.309 -8.077 -6.249 1.00 2.51 H new ATOM 0 HA LEU A 90 0.605 -9.629 -4.003 1.00 74.21 H new ATOM 0 HB2 LEU A 90 0.800 -6.707 -4.752 1.00 51.00 H new ATOM 0 HB3 LEU A 90 1.503 -7.394 -3.301 1.00 51.00 H new ATOM 0 HG LEU A 90 2.029 -8.446 -6.077 1.00 21.14 H new ATOM 0 HD11 LEU A 90 4.256 -7.294 -5.976 1.00 42.20 H new ATOM 0 HD12 LEU A 90 2.898 -6.145 -5.967 1.00 42.20 H new ATOM 0 HD13 LEU A 90 3.757 -6.518 -4.454 1.00 42.20 H new ATOM 0 HD21 LEU A 90 4.065 -9.478 -5.053 1.00 25.14 H new ATOM 0 HD22 LEU A 90 3.556 -8.849 -3.468 1.00 25.14 H new ATOM 0 HD23 LEU A 90 2.558 -10.060 -4.306 1.00 25.14 H new ATOM 1434 N ASN A 91 -0.791 -8.925 -2.077 1.00 71.24 N ATOM 1435 CA ASN A 91 -1.707 -8.813 -0.956 1.00 64.42 C ATOM 1436 C ASN A 91 -1.633 -7.365 -0.486 1.00 41.41 C ATOM 1437 O ASN A 91 -0.627 -6.963 0.105 1.00 3.21 O ATOM 1438 CB ASN A 91 -1.280 -9.797 0.153 1.00 62.31 C ATOM 1439 CG ASN A 91 -2.422 -10.370 0.970 1.00 40.14 C ATOM 1440 OD1 ASN A 91 -3.595 -10.219 0.651 1.00 20.21 O ATOM 1441 ND2 ASN A 91 -2.080 -11.110 2.011 1.00 13.52 N ATOM 0 H ASN A 91 0.057 -9.439 -1.840 1.00 71.24 H new ATOM 0 HA ASN A 91 -2.732 -9.065 -1.229 1.00 64.42 H new ATOM 0 HB2 ASN A 91 -0.730 -10.620 -0.303 1.00 62.31 H new ATOM 0 HB3 ASN A 91 -0.591 -9.287 0.826 1.00 62.31 H new ATOM 0 HD21 ASN A 91 -2.800 -11.570 2.568 1.00 13.52 H new ATOM 0 HD22 ASN A 91 -1.096 -11.221 2.257 1.00 13.52 H new ATOM 1448 N ILE A 92 -2.628 -6.543 -0.813 1.00 22.53 N ATOM 1449 CA ILE A 92 -2.748 -5.229 -0.201 1.00 55.55 C ATOM 1450 C ILE A 92 -3.283 -5.517 1.193 1.00 21.00 C ATOM 1451 O ILE A 92 -4.408 -6.012 1.332 1.00 44.41 O ATOM 1452 CB ILE A 92 -3.672 -4.275 -0.996 1.00 73.23 C ATOM 1453 CG1 ILE A 92 -3.181 -4.139 -2.454 1.00 52.13 C ATOM 1454 CG2 ILE A 92 -3.719 -2.899 -0.300 1.00 71.42 C ATOM 1455 CD1 ILE A 92 -4.067 -3.234 -3.318 1.00 62.35 C ATOM 0 H ILE A 92 -3.355 -6.764 -1.493 1.00 22.53 H new ATOM 0 HA ILE A 92 -1.793 -4.704 -0.182 1.00 55.55 H new ATOM 0 HB ILE A 92 -4.680 -4.689 -1.020 1.00 73.23 H new ATOM 0 HG12 ILE A 92 -2.165 -3.743 -2.451 1.00 52.13 H new ATOM 0 HG13 ILE A 92 -3.136 -5.129 -2.907 1.00 52.13 H new ATOM 0 HG21 ILE A 92 -4.370 -2.229 -0.862 1.00 71.42 H new ATOM 0 HG22 ILE A 92 -4.106 -3.016 0.712 1.00 71.42 H new ATOM 0 HG23 ILE A 92 -2.715 -2.478 -0.258 1.00 71.42 H new ATOM 0 HD11 ILE A 92 -3.661 -3.185 -4.329 1.00 62.35 H new ATOM 0 HD12 ILE A 92 -5.078 -3.640 -3.352 1.00 62.35 H new ATOM 0 HD13 ILE A 92 -4.092 -2.232 -2.889 1.00 62.35 H new ATOM 1467 N LEU A 93 -2.452 -5.289 2.202 1.00 4.15 N ATOM 1468 CA LEU A 93 -2.882 -5.158 3.565 1.00 2.12 C ATOM 1469 C LEU A 93 -3.108 -3.685 3.859 1.00 72.45 C ATOM 1470 O LEU A 93 -2.643 -2.787 3.152 1.00 40.23 O ATOM 1471 CB LEU A 93 -1.823 -5.648 4.557 1.00 73.32 C ATOM 1472 CG LEU A 93 -1.184 -7.000 4.287 1.00 4.41 C ATOM 1473 CD1 LEU A 93 -0.046 -7.288 5.272 1.00 64.23 C ATOM 1474 CD2 LEU A 93 -2.170 -8.165 4.212 1.00 43.14 C ATOM 0 H LEU A 93 -1.444 -5.190 2.081 1.00 4.15 H new ATOM 0 HA LEU A 93 -3.785 -5.757 3.681 1.00 2.12 H new ATOM 0 HB2 LEU A 93 -1.029 -4.902 4.598 1.00 73.32 H new ATOM 0 HB3 LEU A 93 -2.279 -5.683 5.547 1.00 73.32 H new ATOM 0 HG LEU A 93 -0.764 -6.921 3.284 1.00 4.41 H new ATOM 0 HD11 LEU A 93 0.389 -8.263 5.051 1.00 64.23 H new ATOM 0 HD12 LEU A 93 0.720 -6.519 5.178 1.00 64.23 H new ATOM 0 HD13 LEU A 93 -0.437 -7.288 6.290 1.00 64.23 H new ATOM 0 HD21 LEU A 93 -1.627 -9.089 4.016 1.00 43.14 H new ATOM 0 HD22 LEU A 93 -2.704 -8.251 5.158 1.00 43.14 H new ATOM 0 HD23 LEU A 93 -2.884 -7.986 3.408 1.00 43.14 H new ATOM 1486 N ASP A 94 -3.737 -3.487 4.998 1.00 64.34 N ATOM 1487 CA ASP A 94 -4.026 -2.191 5.597 1.00 3.24 C ATOM 1488 C ASP A 94 -3.032 -1.895 6.717 1.00 55.01 C ATOM 1489 O ASP A 94 -2.081 -2.651 6.953 1.00 42.14 O ATOM 1490 CB ASP A 94 -5.461 -2.185 6.138 1.00 65.44 C ATOM 1491 CG ASP A 94 -6.078 -0.796 6.276 1.00 44.14 C ATOM 1492 OD1 ASP A 94 -5.448 0.175 5.824 1.00 52.43 O ATOM 1493 OD2 ASP A 94 -7.177 -0.685 6.862 1.00 65.04 O ATOM 0 H ASP A 94 -4.080 -4.263 5.564 1.00 64.34 H new ATOM 0 HA ASP A 94 -3.929 -1.414 4.839 1.00 3.24 H new ATOM 0 HB2 ASP A 94 -6.088 -2.783 5.477 1.00 65.44 H new ATOM 0 HB3 ASP A 94 -5.471 -2.672 7.113 1.00 65.44 H new ATOM 1498 N ALA A 95 -3.282 -0.829 7.468 1.00 63.40 N ATOM 1499 CA ALA A 95 -2.477 -0.501 8.646 1.00 34.42 C ATOM 1500 C ALA A 95 -2.634 -1.526 9.772 1.00 30.44 C ATOM 1501 O ALA A 95 -1.715 -1.643 10.583 1.00 53.11 O ATOM 1502 CB ALA A 95 -2.792 0.880 9.206 1.00 33.33 C ATOM 0 H ALA A 95 -4.040 -0.172 7.283 1.00 63.40 H new ATOM 0 HA ALA A 95 -1.448 -0.517 8.288 1.00 34.42 H new ATOM 0 HB1 ALA A 95 -2.166 1.070 10.078 1.00 33.33 H new ATOM 0 HB2 ALA A 95 -2.594 1.635 8.445 1.00 33.33 H new ATOM 0 HB3 ALA A 95 -3.842 0.924 9.496 1.00 33.33 H new ATOM 1508 N GLU A 96 -3.714 -2.310 9.833 1.00 31.12 N ATOM 1509 CA GLU A 96 -3.763 -3.437 10.757 1.00 75.33 C ATOM 1510 C GLU A 96 -2.885 -4.590 10.254 1.00 73.03 C ATOM 1511 O GLU A 96 -2.544 -5.490 11.019 1.00 71.00 O ATOM 1512 CB GLU A 96 -5.218 -3.897 10.911 1.00 44.34 C ATOM 1513 CG GLU A 96 -6.056 -2.936 11.769 1.00 71.22 C ATOM 1514 CD GLU A 96 -5.840 -3.209 13.256 1.00 12.11 C ATOM 1515 OE1 GLU A 96 -4.711 -3.031 13.764 1.00 24.40 O ATOM 1516 OE2 GLU A 96 -6.786 -3.711 13.904 1.00 5.22 O ATOM 0 H GLU A 96 -4.551 -2.186 9.263 1.00 31.12 H new ATOM 0 HA GLU A 96 -3.377 -3.123 11.727 1.00 75.33 H new ATOM 0 HB2 GLU A 96 -5.673 -3.987 9.924 1.00 44.34 H new ATOM 0 HB3 GLU A 96 -5.235 -4.889 11.362 1.00 44.34 H new ATOM 0 HG2 GLU A 96 -5.784 -1.906 11.540 1.00 71.22 H new ATOM 0 HG3 GLU A 96 -7.112 -3.049 11.523 1.00 71.22 H new ATOM 1523 N GLY A 97 -2.494 -4.570 8.979 1.00 65.10 N ATOM 1524 CA GLY A 97 -1.861 -5.678 8.283 1.00 30.02 C ATOM 1525 C GLY A 97 -2.869 -6.776 7.944 1.00 71.03 C ATOM 1526 O GLY A 97 -2.460 -7.911 7.713 1.00 73.14 O ATOM 0 H GLY A 97 -2.616 -3.749 8.386 1.00 65.10 H new ATOM 0 HA2 GLY A 97 -1.395 -5.315 7.367 1.00 30.02 H new ATOM 0 HA3 GLY A 97 -1.066 -6.092 8.903 1.00 30.02 H new ATOM 1530 N ASN A 98 -4.170 -6.465 7.915 1.00 11.25 N ATOM 1531 CA ASN A 98 -5.194 -7.364 7.387 1.00 62.22 C ATOM 1532 C ASN A 98 -5.372 -7.064 5.911 1.00 53.31 C ATOM 1533 O ASN A 98 -5.286 -5.899 5.521 1.00 63.22 O ATOM 1534 CB ASN A 98 -6.544 -7.165 8.081 1.00 53.12 C ATOM 1535 CG ASN A 98 -6.460 -7.346 9.585 1.00 43.21 C ATOM 1536 OD1 ASN A 98 -5.767 -8.224 10.095 1.00 65.21 O ATOM 1537 ND2 ASN A 98 -7.120 -6.476 10.321 1.00 75.13 N ATOM 0 H ASN A 98 -4.540 -5.579 8.259 1.00 11.25 H new ATOM 0 HA ASN A 98 -4.869 -8.390 7.560 1.00 62.22 H new ATOM 0 HB2 ASN A 98 -6.918 -6.165 7.860 1.00 53.12 H new ATOM 0 HB3 ASN A 98 -7.266 -7.873 7.673 1.00 53.12 H new ATOM 0 HD21 ASN A 98 -7.063 -6.521 11.338 1.00 75.13 H new ATOM 0 HD22 ASN A 98 -7.688 -5.757 9.874 1.00 75.13 H new ATOM 1544 N SER A 99 -5.641 -8.087 5.105 1.00 21.04 N ATOM 1545 CA SER A 99 -5.878 -7.952 3.678 1.00 50.01 C ATOM 1546 C SER A 99 -7.176 -7.183 3.409 1.00 41.14 C ATOM 1547 O SER A 99 -8.214 -7.550 3.964 1.00 64.00 O ATOM 1548 CB SER A 99 -5.910 -9.350 3.057 1.00 4.02 C ATOM 1549 OG SER A 99 -6.764 -10.230 3.775 1.00 14.10 O ATOM 0 H SER A 99 -5.701 -9.050 5.435 1.00 21.04 H new ATOM 0 HA SER A 99 -5.074 -7.376 3.221 1.00 50.01 H new ATOM 0 HB2 SER A 99 -6.248 -9.280 2.023 1.00 4.02 H new ATOM 0 HB3 SER A 99 -4.901 -9.761 3.036 1.00 4.02 H new ATOM 0 HG SER A 99 -7.532 -9.730 4.123 1.00 14.10 H new ATOM 1555 N ILE A 100 -7.131 -6.178 2.529 1.00 53.31 N ATOM 1556 CA ILE A 100 -8.279 -5.381 2.095 1.00 42.13 C ATOM 1557 C ILE A 100 -8.258 -5.196 0.572 1.00 61.51 C ATOM 1558 O ILE A 100 -7.261 -5.479 -0.100 1.00 25.24 O ATOM 1559 CB ILE A 100 -8.309 -4.014 2.821 1.00 13.40 C ATOM 1560 CG1 ILE A 100 -6.982 -3.233 2.677 1.00 22.05 C ATOM 1561 CG2 ILE A 100 -8.698 -4.181 4.300 1.00 1.51 C ATOM 1562 CD1 ILE A 100 -7.149 -1.739 2.973 1.00 41.24 C ATOM 0 H ILE A 100 -6.261 -5.888 2.084 1.00 53.31 H new ATOM 0 HA ILE A 100 -9.190 -5.918 2.361 1.00 42.13 H new ATOM 0 HB ILE A 100 -9.077 -3.416 2.330 1.00 13.40 H new ATOM 0 HG12 ILE A 100 -6.240 -3.654 3.355 1.00 22.05 H new ATOM 0 HG13 ILE A 100 -6.597 -3.359 1.665 1.00 22.05 H new ATOM 0 HG21 ILE A 100 -8.711 -3.205 4.785 1.00 1.51 H new ATOM 0 HG22 ILE A 100 -9.688 -4.633 4.367 1.00 1.51 H new ATOM 0 HG23 ILE A 100 -7.971 -4.824 4.797 1.00 1.51 H new ATOM 0 HD11 ILE A 100 -6.189 -1.236 2.858 1.00 41.24 H new ATOM 0 HD12 ILE A 100 -7.870 -1.309 2.278 1.00 41.24 H new ATOM 0 HD13 ILE A 100 -7.507 -1.608 3.994 1.00 41.24 H new ATOM 1574 N ASP A 101 -9.366 -4.712 0.010 1.00 13.42 N ATOM 1575 CA ASP A 101 -9.406 -4.176 -1.347 1.00 10.42 C ATOM 1576 C ASP A 101 -8.868 -2.748 -1.344 1.00 0.11 C ATOM 1577 O ASP A 101 -8.835 -2.082 -0.313 1.00 31.55 O ATOM 1578 CB ASP A 101 -10.838 -4.186 -1.893 1.00 71.32 C ATOM 1579 CG ASP A 101 -11.182 -5.525 -2.565 1.00 22.41 C ATOM 1580 OD1 ASP A 101 -10.503 -5.884 -3.568 1.00 21.35 O ATOM 1581 OD2 ASP A 101 -12.084 -6.233 -2.054 1.00 64.22 O ATOM 0 H ASP A 101 -10.266 -4.682 0.489 1.00 13.42 H new ATOM 0 HA ASP A 101 -8.787 -4.803 -1.989 1.00 10.42 H new ATOM 0 HB2 ASP A 101 -11.539 -3.997 -1.080 1.00 71.32 H new ATOM 0 HB3 ASP A 101 -10.959 -3.376 -2.613 1.00 71.32 H new ATOM 1586 N ALA A 102 -8.488 -2.267 -2.525 1.00 5.15 N ATOM 1587 CA ALA A 102 -7.865 -0.963 -2.707 1.00 15.43 C ATOM 1588 C ALA A 102 -8.864 0.186 -2.570 1.00 1.23 C ATOM 1589 O ALA A 102 -8.481 1.272 -2.139 1.00 13.22 O ATOM 1590 CB ALA A 102 -7.214 -0.902 -4.094 1.00 32.44 C ATOM 0 H ALA A 102 -8.607 -2.783 -3.396 1.00 5.15 H new ATOM 0 HA ALA A 102 -7.118 -0.845 -1.922 1.00 15.43 H new ATOM 0 HB1 ALA A 102 -6.747 0.073 -4.234 1.00 32.44 H new ATOM 0 HB2 ALA A 102 -6.457 -1.682 -4.175 1.00 32.44 H new ATOM 0 HB3 ALA A 102 -7.975 -1.053 -4.860 1.00 32.44 H new ATOM 1596 N ALA A 103 -10.129 -0.031 -2.943 1.00 52.32 N ATOM 1597 CA ALA A 103 -11.122 1.038 -2.953 1.00 23.42 C ATOM 1598 C ALA A 103 -11.327 1.617 -1.555 1.00 60.44 C ATOM 1599 O ALA A 103 -11.438 2.835 -1.422 1.00 71.21 O ATOM 1600 CB ALA A 103 -12.442 0.528 -3.532 1.00 53.44 C ATOM 0 H ALA A 103 -10.486 -0.939 -3.241 1.00 52.32 H new ATOM 0 HA ALA A 103 -10.751 1.842 -3.589 1.00 23.42 H new ATOM 0 HB1 ALA A 103 -13.174 1.335 -3.534 1.00 53.44 H new ATOM 0 HB2 ALA A 103 -12.282 0.181 -4.553 1.00 53.44 H new ATOM 0 HB3 ALA A 103 -12.812 -0.296 -2.923 1.00 53.44 H new ATOM 1606 N GLN A 104 -11.290 0.751 -0.535 1.00 52.11 N ATOM 1607 CA GLN A 104 -11.394 1.105 0.874 1.00 13.25 C ATOM 1608 C GLN A 104 -10.343 2.136 1.303 1.00 31.31 C ATOM 1609 O GLN A 104 -10.593 2.874 2.254 1.00 23.11 O ATOM 1610 CB GLN A 104 -11.283 -0.179 1.726 1.00 5.00 C ATOM 1611 CG GLN A 104 -12.595 -0.978 1.726 1.00 65.21 C ATOM 1612 CD GLN A 104 -12.888 -1.754 3.013 1.00 1.34 C ATOM 1613 OE1 GLN A 104 -12.786 -1.252 4.128 1.00 15.43 O ATOM 1614 NE2 GLN A 104 -13.343 -2.991 2.890 1.00 2.35 N ATOM 0 H GLN A 104 -11.182 -0.253 -0.681 1.00 52.11 H new ATOM 0 HA GLN A 104 -12.364 1.575 1.033 1.00 13.25 H new ATOM 0 HB2 GLN A 104 -10.477 -0.803 1.340 1.00 5.00 H new ATOM 0 HB3 GLN A 104 -11.018 0.086 2.750 1.00 5.00 H new ATOM 0 HG2 GLN A 104 -13.420 -0.290 1.540 1.00 65.21 H new ATOM 0 HG3 GLN A 104 -12.573 -1.682 0.894 1.00 65.21 H new ATOM 0 HE21 GLN A 104 -13.430 -3.413 1.965 1.00 2.35 H new ATOM 0 HE22 GLN A 104 -13.607 -3.522 3.720 1.00 2.35 H new ATOM 1623 N VAL A 105 -9.210 2.211 0.603 1.00 32.44 N ATOM 1624 CA VAL A 105 -8.094 3.088 0.920 1.00 25.42 C ATOM 1625 C VAL A 105 -8.298 4.444 0.246 1.00 63.31 C ATOM 1626 O VAL A 105 -8.117 5.492 0.864 1.00 33.11 O ATOM 1627 CB VAL A 105 -6.792 2.428 0.424 1.00 73.00 C ATOM 1628 CG1 VAL A 105 -5.546 3.226 0.791 1.00 31.14 C ATOM 1629 CG2 VAL A 105 -6.597 1.008 0.961 1.00 23.05 C ATOM 0 H VAL A 105 -9.044 1.642 -0.227 1.00 32.44 H new ATOM 0 HA VAL A 105 -8.032 3.246 1.997 1.00 25.42 H new ATOM 0 HB VAL A 105 -6.911 2.400 -0.659 1.00 73.00 H new ATOM 0 HG11 VAL A 105 -4.661 2.712 0.415 1.00 31.14 H new ATOM 0 HG12 VAL A 105 -5.606 4.219 0.345 1.00 31.14 H new ATOM 0 HG13 VAL A 105 -5.479 3.318 1.875 1.00 31.14 H new ATOM 0 HG21 VAL A 105 -5.663 0.598 0.576 1.00 23.05 H new ATOM 0 HG22 VAL A 105 -6.560 1.033 2.050 1.00 23.05 H new ATOM 0 HG23 VAL A 105 -7.428 0.380 0.640 1.00 23.05 H new ATOM 1639 N THR A 106 -8.626 4.448 -1.050 1.00 64.40 N ATOM 1640 CA THR A 106 -8.635 5.681 -1.830 1.00 11.43 C ATOM 1641 C THR A 106 -9.757 6.637 -1.419 1.00 43.00 C ATOM 1642 O THR A 106 -9.683 7.838 -1.687 1.00 52.23 O ATOM 1643 CB THR A 106 -8.704 5.364 -3.332 1.00 24.40 C ATOM 1644 OG1 THR A 106 -9.682 4.376 -3.631 1.00 2.01 O ATOM 1645 CG2 THR A 106 -7.357 4.872 -3.884 1.00 74.24 C ATOM 0 H THR A 106 -8.887 3.614 -1.575 1.00 64.40 H new ATOM 0 HA THR A 106 -7.699 6.198 -1.619 1.00 11.43 H new ATOM 0 HB THR A 106 -8.976 6.306 -3.807 1.00 24.40 H new ATOM 0 HG1 THR A 106 -9.692 4.207 -4.596 1.00 2.01 H new ATOM 0 HG21 THR A 106 -7.455 4.661 -4.949 1.00 74.24 H new ATOM 0 HG22 THR A 106 -6.600 5.642 -3.735 1.00 74.24 H new ATOM 0 HG23 THR A 106 -7.059 3.964 -3.360 1.00 74.24 H new