USER MOD reduce.3.24.130724 H: found=0, std=0, add=929, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 948 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 39 SER OG : rot 76:sc= -1.46! USER MOD Set 1.2: A 110 SER OG : rot 180:sc= -1.75 USER MOD Set 2.1: A 81 ASN :FLIP amide:sc= -4.36 F(o=-12!,f=-6) USER MOD Set 2.2: A 98 HIS :FLIP no HD1:sc= -1.67 F(o=-8.5!,f=-6) USER MOD Single : A 4 THR OG1 : rot -86:sc= -1.2! USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot -33:sc= 0.965 USER MOD Single : A 9 TYR OH : rot -1:sc= -2.32! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0114) USER MOD Single : A 18 SER OG : rot -91:sc= 0.089 USER MOD Single : A 27 ASN : amide:sc= -0.0227 K(o=-0.023,f=-0.62) USER MOD Single : A 33 CYS SG : rot -87:sc= -0.606! USER MOD Single : A 35 LYS NZ :NH3+ 140:sc= -0.961! (180deg=-6.62!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 144:sc= 0 (180deg=-0.445) USER MOD Single : A 48 LYS NZ :NH3+ 147:sc= -9.31! (180deg=-10.7!) USER MOD Single : A 49 TYR OH : rot 120:sc= -5.17! USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.22 USER MOD Single : A 59 GLN : amide:sc= -0.0152 K(o=-0.015,f=-2!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0239 USER MOD Single : A 91 MET CE :methyl 164:sc= -0.845 (180deg=-1.28) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 85:sc= 0.0254 USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot -138:sc= -1.39! USER MOD Single : A 108 THR OG1 : rot 180:sc= -1.33! USER MOD Single : A 109 TYR OH : rot 180:sc= -1.58 USER MOD Single : A 113 ASN : amide:sc= -8.61! C(o=-8.6!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 69 N THR A 4 -10.945 -5.018 4.868 1.00 53.15 N ATOM 70 CA THR A 4 -11.183 -4.400 6.161 1.00 1.20 C ATOM 71 C THR A 4 -10.433 -3.071 6.264 1.00 34.02 C ATOM 72 O THR A 4 -11.041 -2.005 6.200 1.00 52.13 O ATOM 73 CB THR A 4 -10.790 -5.405 7.245 1.00 73.15 C ATOM 74 OG1 THR A 4 -9.387 -5.580 7.063 1.00 53.12 O ATOM 75 CG2 THR A 4 -11.374 -6.797 6.995 1.00 74.44 C ATOM 0 HA THR A 4 -12.236 -4.153 6.293 1.00 1.20 H new ATOM 0 HB THR A 4 -11.126 -5.040 8.216 1.00 73.15 H new ATOM 0 HG1 THR A 4 -9.229 -6.273 6.389 1.00 53.12 H new ATOM 0 HG21 THR A 4 -11.064 -7.471 7.794 1.00 74.44 H new ATOM 0 HG22 THR A 4 -12.462 -6.737 6.973 1.00 74.44 H new ATOM 0 HG23 THR A 4 -11.013 -7.177 6.039 1.00 74.44 H new ATOM 83 N PHE A 5 -9.121 -3.179 6.421 1.00 11.00 N ATOM 84 CA PHE A 5 -8.282 -1.999 6.531 1.00 22.31 C ATOM 85 C PHE A 5 -8.527 -1.040 5.364 1.00 41.51 C ATOM 86 O PHE A 5 -8.315 0.166 5.494 1.00 44.32 O ATOM 87 CB PHE A 5 -6.829 -2.477 6.485 1.00 64.21 C ATOM 88 CG PHE A 5 -5.809 -1.355 6.286 1.00 65.11 C ATOM 89 CD1 PHE A 5 -5.439 -0.579 7.339 1.00 10.12 C ATOM 90 CD2 PHE A 5 -5.275 -1.133 5.055 1.00 75.11 C ATOM 91 CE1 PHE A 5 -4.492 0.464 7.153 1.00 0.14 C ATOM 92 CE2 PHE A 5 -4.329 -0.091 4.869 1.00 33.11 C ATOM 93 CZ PHE A 5 -3.956 0.686 5.923 1.00 2.25 C ATOM 0 H PHE A 5 -8.620 -4.066 6.475 1.00 11.00 H new ATOM 0 HA PHE A 5 -8.507 -1.468 7.456 1.00 22.31 H new ATOM 0 HB2 PHE A 5 -6.600 -3.001 7.413 1.00 64.21 H new ATOM 0 HB3 PHE A 5 -6.721 -3.200 5.676 1.00 64.21 H new ATOM 0 HD1 PHE A 5 -5.864 -0.755 8.316 1.00 10.12 H new ATOM 0 HD2 PHE A 5 -5.571 -1.749 4.219 1.00 75.11 H new ATOM 0 HE1 PHE A 5 -4.198 1.081 7.989 1.00 0.14 H new ATOM 0 HE2 PHE A 5 -3.905 0.085 3.891 1.00 33.11 H new ATOM 0 HZ PHE A 5 -3.235 1.478 5.782 1.00 2.25 H new ATOM 103 N LYS A 6 -8.968 -1.610 4.254 1.00 54.43 N ATOM 104 CA LYS A 6 -9.245 -0.821 3.066 1.00 61.10 C ATOM 105 C LYS A 6 -10.752 -0.582 2.956 1.00 23.11 C ATOM 106 O LYS A 6 -11.188 0.346 2.277 1.00 53.24 O ATOM 107 CB LYS A 6 -8.635 -1.482 1.829 1.00 72.11 C ATOM 108 CG LYS A 6 -9.170 -0.844 0.545 1.00 41.42 C ATOM 109 CD LYS A 6 -8.729 -1.637 -0.687 1.00 55.05 C ATOM 110 CE LYS A 6 -8.725 -0.753 -1.935 1.00 11.24 C ATOM 111 NZ LYS A 6 -10.086 -0.669 -2.515 1.00 41.43 N ATOM 0 H LYS A 6 -9.141 -2.610 4.151 1.00 54.43 H new ATOM 0 HA LYS A 6 -8.772 0.158 3.141 1.00 61.10 H new ATOM 0 HB2 LYS A 6 -7.549 -1.389 1.861 1.00 72.11 H new ATOM 0 HB3 LYS A 6 -8.863 -2.548 1.832 1.00 72.11 H new ATOM 0 HG2 LYS A 6 -10.258 -0.800 0.583 1.00 41.42 H new ATOM 0 HG3 LYS A 6 -8.812 0.183 0.468 1.00 41.42 H new ATOM 0 HD2 LYS A 6 -7.732 -2.046 -0.523 1.00 55.05 H new ATOM 0 HD3 LYS A 6 -9.399 -2.483 -0.838 1.00 55.05 H new ATOM 0 HE2 LYS A 6 -8.370 0.245 -1.680 1.00 11.24 H new ATOM 0 HE3 LYS A 6 -8.033 -1.159 -2.673 1.00 11.24 H new ATOM 0 HZ1 LYS A 6 -10.066 -0.065 -3.362 1.00 41.43 H new ATOM 0 HZ2 LYS A 6 -10.411 -1.622 -2.777 1.00 41.43 H new ATOM 0 HZ3 LYS A 6 -10.737 -0.261 -1.814 1.00 41.43 H new ATOM 125 N SER A 7 -11.505 -1.434 3.635 1.00 32.24 N ATOM 126 CA SER A 7 -12.954 -1.328 3.624 1.00 10.10 C ATOM 127 C SER A 7 -13.412 -0.293 4.654 1.00 13.42 C ATOM 128 O SER A 7 -14.610 -0.117 4.870 1.00 63.35 O ATOM 129 CB SER A 7 -13.608 -2.682 3.905 1.00 44.33 C ATOM 130 OG SER A 7 -15.028 -2.583 3.981 1.00 52.21 O ATOM 0 H SER A 7 -11.138 -2.202 4.197 1.00 32.24 H new ATOM 0 HA SER A 7 -13.265 -1.004 2.631 1.00 10.10 H new ATOM 0 HB2 SER A 7 -13.335 -3.387 3.119 1.00 44.33 H new ATOM 0 HB3 SER A 7 -13.222 -3.084 4.842 1.00 44.33 H new ATOM 0 HG SER A 7 -15.276 -1.713 4.358 1.00 52.21 H new ATOM 136 N GLU A 8 -12.433 0.364 5.259 1.00 33.03 N ATOM 137 CA GLU A 8 -12.720 1.376 6.261 1.00 53.01 C ATOM 138 C GLU A 8 -12.853 2.752 5.603 1.00 75.05 C ATOM 139 O GLU A 8 -13.924 3.355 5.630 1.00 11.10 O ATOM 140 CB GLU A 8 -11.646 1.391 7.350 1.00 50.33 C ATOM 141 CG GLU A 8 -11.803 2.610 8.259 1.00 33.05 C ATOM 142 CD GLU A 8 -13.278 2.966 8.451 1.00 44.11 C ATOM 143 OE1 GLU A 8 -13.682 4.105 8.177 1.00 71.32 O ATOM 144 OE2 GLU A 8 -14.015 2.007 8.902 1.00 31.12 O ATOM 0 H GLU A 8 -11.441 0.215 5.075 1.00 33.03 H new ATOM 0 HA GLU A 8 -13.669 1.129 6.737 1.00 53.01 H new ATOM 0 HB2 GLU A 8 -11.713 0.479 7.944 1.00 50.33 H new ATOM 0 HB3 GLU A 8 -10.658 1.401 6.891 1.00 50.33 H new ATOM 0 HG2 GLU A 8 -11.345 2.407 9.227 1.00 33.05 H new ATOM 0 HG3 GLU A 8 -11.273 3.460 7.828 1.00 33.05 H new ATOM 152 N TYR A 9 -11.749 3.205 5.029 1.00 11.51 N ATOM 153 CA TYR A 9 -11.728 4.499 4.365 1.00 34.03 C ATOM 154 C TYR A 9 -11.712 4.335 2.845 1.00 13.04 C ATOM 155 O TYR A 9 -11.428 3.250 2.337 1.00 20.14 O ATOM 156 CB TYR A 9 -10.430 5.179 4.806 1.00 23.45 C ATOM 157 CG TYR A 9 -9.190 4.291 4.684 1.00 45.31 C ATOM 158 CD1 TYR A 9 -8.837 3.452 5.721 1.00 32.35 C ATOM 159 CD2 TYR A 9 -8.425 4.330 3.536 1.00 31.32 C ATOM 160 CE1 TYR A 9 -7.669 2.618 5.604 1.00 14.04 C ATOM 161 CE2 TYR A 9 -7.258 3.495 3.419 1.00 14.01 C ATOM 162 CZ TYR A 9 -6.937 2.680 4.459 1.00 24.23 C ATOM 163 OH TYR A 9 -5.835 1.892 4.351 1.00 62.13 O ATOM 0 H TYR A 9 -10.863 2.701 5.009 1.00 11.51 H new ATOM 0 HA TYR A 9 -12.613 5.078 4.627 1.00 34.03 H new ATOM 0 HB2 TYR A 9 -10.281 6.078 4.207 1.00 23.45 H new ATOM 0 HB3 TYR A 9 -10.534 5.500 5.842 1.00 23.45 H new ATOM 0 HD1 TYR A 9 -9.436 3.421 6.619 1.00 32.35 H new ATOM 0 HD2 TYR A 9 -8.702 4.987 2.725 1.00 31.32 H new ATOM 0 HE1 TYR A 9 -7.380 1.957 6.408 1.00 14.04 H new ATOM 0 HE2 TYR A 9 -6.651 3.515 2.526 1.00 14.01 H new ATOM 0 HH TYR A 9 -5.718 1.379 5.178 1.00 62.13 H new ATOM 173 N PRO A 10 -12.028 5.455 2.142 1.00 21.33 N ATOM 174 CA PRO A 10 -12.053 5.445 0.689 1.00 5.43 C ATOM 175 C PRO A 10 -10.633 5.445 0.116 1.00 23.30 C ATOM 176 O PRO A 10 -9.664 5.616 0.854 1.00 24.20 O ATOM 177 CB PRO A 10 -12.850 6.679 0.300 1.00 2.54 C ATOM 178 CG PRO A 10 -12.845 7.581 1.524 1.00 23.32 C ATOM 179 CD PRO A 10 -12.369 6.756 2.710 1.00 44.44 C ATOM 0 HA PRO A 10 -12.515 4.545 0.283 1.00 5.43 H new ATOM 0 HB2 PRO A 10 -12.400 7.181 -0.557 1.00 2.54 H new ATOM 0 HB3 PRO A 10 -13.868 6.413 0.015 1.00 2.54 H new ATOM 0 HG2 PRO A 10 -12.188 8.436 1.365 1.00 23.32 H new ATOM 0 HG3 PRO A 10 -13.843 7.977 1.711 1.00 23.32 H new ATOM 0 HD2 PRO A 10 -11.506 7.216 3.192 1.00 44.44 H new ATOM 0 HD3 PRO A 10 -13.147 6.666 3.468 1.00 44.44 H new ATOM 187 N PHE A 11 -10.557 5.252 -1.191 1.00 12.11 N ATOM 188 CA PHE A 11 -9.273 5.228 -1.871 1.00 25.15 C ATOM 189 C PHE A 11 -8.516 6.541 -1.659 1.00 3.34 C ATOM 190 O PHE A 11 -7.290 6.545 -1.557 1.00 13.02 O ATOM 191 CB PHE A 11 -9.561 5.055 -3.365 1.00 73.12 C ATOM 192 CG PHE A 11 -8.411 5.492 -4.274 1.00 53.51 C ATOM 193 CD1 PHE A 11 -8.235 6.810 -4.561 1.00 3.24 C ATOM 194 CD2 PHE A 11 -7.564 4.564 -4.796 1.00 64.31 C ATOM 195 CE1 PHE A 11 -7.168 7.216 -5.406 1.00 60.21 C ATOM 196 CE2 PHE A 11 -6.498 4.970 -5.640 1.00 0.24 C ATOM 197 CZ PHE A 11 -6.322 6.288 -5.926 1.00 72.02 C ATOM 0 H PHE A 11 -11.364 5.111 -1.799 1.00 12.11 H new ATOM 0 HA PHE A 11 -8.659 4.418 -1.478 1.00 25.15 H new ATOM 0 HB2 PHE A 11 -9.788 4.007 -3.562 1.00 73.12 H new ATOM 0 HB3 PHE A 11 -10.452 5.628 -3.622 1.00 73.12 H new ATOM 0 HD1 PHE A 11 -8.906 7.547 -4.146 1.00 3.24 H new ATOM 0 HD2 PHE A 11 -7.703 3.518 -4.568 1.00 64.31 H new ATOM 0 HE1 PHE A 11 -7.029 8.262 -5.635 1.00 60.21 H new ATOM 0 HE2 PHE A 11 -5.827 4.233 -6.055 1.00 0.24 H new ATOM 0 HZ PHE A 11 -5.509 6.597 -6.567 1.00 72.02 H new ATOM 207 N GLU A 12 -9.277 7.622 -1.599 1.00 32.21 N ATOM 208 CA GLU A 12 -8.693 8.939 -1.401 1.00 43.50 C ATOM 209 C GLU A 12 -7.985 9.006 -0.047 1.00 41.32 C ATOM 210 O GLU A 12 -7.240 9.948 0.221 1.00 72.13 O ATOM 211 CB GLU A 12 -9.755 10.034 -1.520 1.00 61.12 C ATOM 212 CG GLU A 12 -9.980 10.422 -2.984 1.00 72.25 C ATOM 213 CD GLU A 12 -11.042 11.517 -3.103 1.00 53.25 C ATOM 214 OE1 GLU A 12 -10.979 12.523 -2.380 1.00 30.14 O ATOM 215 OE2 GLU A 12 -11.956 11.296 -3.986 1.00 20.32 O ATOM 0 H GLU A 12 -10.293 7.615 -1.684 1.00 32.21 H new ATOM 0 HA GLU A 12 -7.955 9.110 -2.184 1.00 43.50 H new ATOM 0 HB2 GLU A 12 -10.692 9.686 -1.084 1.00 61.12 H new ATOM 0 HB3 GLU A 12 -9.444 10.910 -0.951 1.00 61.12 H new ATOM 0 HG2 GLU A 12 -9.043 10.770 -3.420 1.00 72.25 H new ATOM 0 HG3 GLU A 12 -10.291 9.546 -3.553 1.00 72.25 H new ATOM 223 N LYS A 13 -8.244 7.997 0.773 1.00 5.43 N ATOM 224 CA LYS A 13 -7.641 7.930 2.091 1.00 64.41 C ATOM 225 C LYS A 13 -6.361 7.095 2.022 1.00 40.34 C ATOM 226 O LYS A 13 -5.544 7.126 2.941 1.00 3.22 O ATOM 227 CB LYS A 13 -8.654 7.420 3.118 1.00 65.01 C ATOM 228 CG LYS A 13 -9.159 8.560 4.005 1.00 14.12 C ATOM 229 CD LYS A 13 -9.886 9.618 3.176 1.00 72.31 C ATOM 230 CE LYS A 13 -9.014 10.861 2.987 1.00 2.41 C ATOM 231 NZ LYS A 13 -9.690 12.058 3.539 1.00 34.20 N ATOM 0 H LYS A 13 -8.864 7.219 0.548 1.00 5.43 H new ATOM 0 HA LYS A 13 -7.353 8.926 2.428 1.00 64.41 H new ATOM 0 HB2 LYS A 13 -9.495 6.955 2.604 1.00 65.01 H new ATOM 0 HB3 LYS A 13 -8.193 6.650 3.737 1.00 65.01 H new ATOM 0 HG2 LYS A 13 -9.832 8.163 4.765 1.00 14.12 H new ATOM 0 HG3 LYS A 13 -8.320 9.017 4.529 1.00 14.12 H new ATOM 0 HD2 LYS A 13 -10.151 9.204 2.203 1.00 72.31 H new ATOM 0 HD3 LYS A 13 -10.818 9.895 3.669 1.00 72.31 H new ATOM 0 HE2 LYS A 13 -8.054 10.718 3.482 1.00 2.41 H new ATOM 0 HE3 LYS A 13 -8.807 11.009 1.927 1.00 2.41 H new ATOM 0 HZ1 LYS A 13 -9.085 12.893 3.402 1.00 34.20 H new ATOM 0 HZ2 LYS A 13 -10.595 12.203 3.048 1.00 34.20 H new ATOM 0 HZ3 LYS A 13 -9.865 11.920 4.555 1.00 34.20 H new ATOM 245 N ARG A 14 -6.227 6.367 0.923 1.00 61.35 N ATOM 246 CA ARG A 14 -5.061 5.525 0.721 1.00 70.54 C ATOM 247 C ARG A 14 -4.029 6.246 -0.150 1.00 72.40 C ATOM 248 O ARG A 14 -2.829 6.154 0.099 1.00 21.25 O ATOM 249 CB ARG A 14 -5.444 4.203 0.053 1.00 65.45 C ATOM 250 CG ARG A 14 -4.272 3.219 0.072 1.00 13.40 C ATOM 251 CD ARG A 14 -4.725 1.821 -0.358 1.00 22.22 C ATOM 252 NE ARG A 14 -4.772 0.923 0.818 1.00 41.21 N ATOM 253 CZ ARG A 14 -5.872 0.728 1.577 1.00 43.14 C ATOM 254 NH1 ARG A 14 -7.025 1.371 1.291 1.00 33.03 N ATOM 255 NH2 ARG A 14 -5.802 -0.098 2.605 1.00 2.22 N ATOM 0 H ARG A 14 -6.907 6.343 0.163 1.00 61.35 H new ATOM 0 HA ARG A 14 -4.632 5.314 1.701 1.00 70.54 H new ATOM 0 HB2 ARG A 14 -6.299 3.765 0.568 1.00 65.45 H new ATOM 0 HB3 ARG A 14 -5.752 4.387 -0.976 1.00 65.45 H new ATOM 0 HG2 ARG A 14 -3.485 3.572 -0.595 1.00 13.40 H new ATOM 0 HG3 ARG A 14 -3.845 3.175 1.074 1.00 13.40 H new ATOM 0 HD2 ARG A 14 -5.709 1.875 -0.825 1.00 22.22 H new ATOM 0 HD3 ARG A 14 -4.040 1.421 -1.105 1.00 22.22 H new ATOM 0 HE ARG A 14 -3.921 0.421 1.071 1.00 41.21 H new ATOM 0 HH11 ARG A 14 -7.069 2.009 0.497 1.00 33.03 H new ATOM 0 HH12 ARG A 14 -7.851 1.218 1.869 1.00 33.03 H new ATOM 0 HH21 ARG A 14 -4.927 -0.577 2.815 1.00 2.22 H new ATOM 0 HH22 ARG A 14 -6.623 -0.257 3.189 1.00 2.22 H new ATOM 269 N LYS A 15 -4.536 6.947 -1.154 1.00 2.20 N ATOM 270 CA LYS A 15 -3.674 7.684 -2.063 1.00 31.35 C ATOM 271 C LYS A 15 -2.958 8.794 -1.291 1.00 5.31 C ATOM 272 O LYS A 15 -1.782 9.067 -1.535 1.00 31.23 O ATOM 273 CB LYS A 15 -4.471 8.187 -3.268 1.00 63.02 C ATOM 274 CG LYS A 15 -5.093 9.555 -2.982 1.00 33.43 C ATOM 275 CD LYS A 15 -6.122 9.923 -4.052 1.00 1.00 C ATOM 276 CE LYS A 15 -6.497 11.404 -3.966 1.00 21.04 C ATOM 277 NZ LYS A 15 -7.233 11.823 -5.179 1.00 61.42 N ATOM 0 H LYS A 15 -5.533 7.020 -1.358 1.00 2.20 H new ATOM 0 HA LYS A 15 -2.903 7.031 -2.472 1.00 31.35 H new ATOM 0 HB2 LYS A 15 -3.818 8.255 -4.138 1.00 63.02 H new ATOM 0 HB3 LYS A 15 -5.255 7.471 -3.514 1.00 63.02 H new ATOM 0 HG2 LYS A 15 -5.570 9.544 -2.002 1.00 33.43 H new ATOM 0 HG3 LYS A 15 -4.311 10.314 -2.948 1.00 33.43 H new ATOM 0 HD2 LYS A 15 -5.719 9.703 -5.040 1.00 1.00 H new ATOM 0 HD3 LYS A 15 -7.015 9.310 -3.929 1.00 1.00 H new ATOM 0 HE2 LYS A 15 -7.111 11.579 -3.082 1.00 21.04 H new ATOM 0 HE3 LYS A 15 -5.596 12.007 -3.853 1.00 21.04 H new ATOM 0 HZ1 LYS A 15 -7.539 12.812 -5.075 1.00 61.42 H new ATOM 0 HZ2 LYS A 15 -6.612 11.738 -6.009 1.00 61.42 H new ATOM 0 HZ3 LYS A 15 -8.067 11.214 -5.307 1.00 61.42 H new ATOM 291 N ALA A 16 -3.696 9.406 -0.378 1.00 43.45 N ATOM 292 CA ALA A 16 -3.146 10.483 0.430 1.00 33.41 C ATOM 293 C ALA A 16 -2.270 9.888 1.534 1.00 52.13 C ATOM 294 O ALA A 16 -1.490 10.601 2.165 1.00 11.03 O ATOM 295 CB ALA A 16 -4.286 11.336 0.987 1.00 50.03 C ATOM 0 H ALA A 16 -4.670 9.178 -0.179 1.00 43.45 H new ATOM 0 HA ALA A 16 -2.517 11.135 -0.175 1.00 33.41 H new ATOM 0 HB1 ALA A 16 -3.874 12.143 1.593 1.00 50.03 H new ATOM 0 HB2 ALA A 16 -4.861 11.758 0.163 1.00 50.03 H new ATOM 0 HB3 ALA A 16 -4.937 10.716 1.603 1.00 50.03 H new ATOM 301 N GLU A 17 -2.428 8.588 1.735 1.00 45.42 N ATOM 302 CA GLU A 17 -1.659 7.889 2.753 1.00 11.22 C ATOM 303 C GLU A 17 -0.221 7.678 2.280 1.00 13.51 C ATOM 304 O GLU A 17 0.726 7.961 3.012 1.00 44.12 O ATOM 305 CB GLU A 17 -2.318 6.559 3.119 1.00 32.21 C ATOM 306 CG GLU A 17 -1.548 5.855 4.238 1.00 41.44 C ATOM 307 CD GLU A 17 -2.126 4.465 4.512 1.00 1.55 C ATOM 308 OE1 GLU A 17 -2.931 3.961 3.715 1.00 64.25 O ATOM 309 OE2 GLU A 17 -1.709 3.904 5.596 1.00 63.21 O ATOM 0 H GLU A 17 -3.076 8.000 1.211 1.00 45.42 H new ATOM 0 HA GLU A 17 -1.637 8.505 3.652 1.00 11.22 H new ATOM 0 HB2 GLU A 17 -3.347 6.733 3.435 1.00 32.21 H new ATOM 0 HB3 GLU A 17 -2.359 5.915 2.240 1.00 32.21 H new ATOM 0 HG2 GLU A 17 -0.497 5.768 3.962 1.00 41.44 H new ATOM 0 HG3 GLU A 17 -1.590 6.456 5.147 1.00 41.44 H new ATOM 317 N SER A 18 -0.100 7.179 1.057 1.00 32.43 N ATOM 318 CA SER A 18 1.207 6.927 0.478 1.00 63.41 C ATOM 319 C SER A 18 1.919 8.250 0.191 1.00 73.40 C ATOM 320 O SER A 18 3.106 8.264 -0.129 1.00 73.04 O ATOM 321 CB SER A 18 1.091 6.099 -0.804 1.00 72.20 C ATOM 322 OG SER A 18 -0.210 5.540 -0.962 1.00 23.24 O ATOM 0 H SER A 18 -0.887 6.943 0.452 1.00 32.43 H new ATOM 0 HA SER A 18 1.794 6.356 1.197 1.00 63.41 H new ATOM 0 HB2 SER A 18 1.322 6.728 -1.664 1.00 72.20 H new ATOM 0 HB3 SER A 18 1.830 5.298 -0.787 1.00 72.20 H new ATOM 0 HG SER A 18 -0.236 4.650 -0.552 1.00 23.24 H new ATOM 328 N GLU A 19 1.163 9.331 0.318 1.00 72.31 N ATOM 329 CA GLU A 19 1.705 10.657 0.077 1.00 1.34 C ATOM 330 C GLU A 19 2.633 11.066 1.223 1.00 3.30 C ATOM 331 O GLU A 19 3.535 11.881 1.034 1.00 22.02 O ATOM 332 CB GLU A 19 0.586 11.681 -0.114 1.00 51.31 C ATOM 333 CG GLU A 19 -0.020 11.577 -1.516 1.00 25.43 C ATOM 334 CD GLU A 19 0.729 12.475 -2.505 1.00 10.12 C ATOM 335 OE1 GLU A 19 1.172 12.000 -3.560 1.00 65.44 O ATOM 336 OE2 GLU A 19 0.841 13.708 -2.143 1.00 13.54 O ATOM 0 H GLU A 19 0.179 9.315 0.585 1.00 72.31 H new ATOM 0 HA GLU A 19 2.287 10.629 -0.844 1.00 1.34 H new ATOM 0 HB2 GLU A 19 -0.190 11.520 0.634 1.00 51.31 H new ATOM 0 HB3 GLU A 19 0.977 12.686 0.043 1.00 51.31 H new ATOM 0 HG2 GLU A 19 0.019 10.542 -1.857 1.00 25.43 H new ATOM 0 HG3 GLU A 19 -1.071 11.863 -1.484 1.00 25.43 H new ATOM 344 N ARG A 20 2.379 10.484 2.384 1.00 64.42 N ATOM 345 CA ARG A 20 3.181 10.779 3.561 1.00 61.32 C ATOM 346 C ARG A 20 4.206 9.667 3.796 1.00 72.54 C ATOM 347 O ARG A 20 5.305 9.925 4.285 1.00 12.42 O ATOM 348 CB ARG A 20 2.302 10.922 4.805 1.00 21.21 C ATOM 349 CG ARG A 20 1.374 9.716 4.963 1.00 4.23 C ATOM 350 CD ARG A 20 0.891 9.582 6.409 1.00 54.55 C ATOM 351 NE ARG A 20 -0.376 10.323 6.590 1.00 51.32 N ATOM 352 CZ ARG A 20 -1.126 10.280 7.711 1.00 55.13 C ATOM 353 NH1 ARG A 20 -0.740 9.528 8.764 1.00 61.44 N ATOM 354 NH2 ARG A 20 -2.242 10.983 7.763 1.00 74.03 N ATOM 0 H ARG A 20 1.629 9.809 2.537 1.00 64.42 H new ATOM 0 HA ARG A 20 3.696 11.723 3.383 1.00 61.32 H new ATOM 0 HB2 ARG A 20 2.931 11.019 5.690 1.00 21.21 H new ATOM 0 HB3 ARG A 20 1.710 11.834 4.733 1.00 21.21 H new ATOM 0 HG2 ARG A 20 0.517 9.822 4.298 1.00 4.23 H new ATOM 0 HG3 ARG A 20 1.898 8.808 4.665 1.00 4.23 H new ATOM 0 HD2 ARG A 20 0.745 8.530 6.656 1.00 54.55 H new ATOM 0 HD3 ARG A 20 1.648 9.968 7.091 1.00 54.55 H new ATOM 0 HE ARG A 20 -0.704 10.904 5.818 1.00 51.32 H new ATOM 0 HH11 ARG A 20 0.124 8.988 8.715 1.00 61.44 H new ATOM 0 HH12 ARG A 20 -1.312 9.500 9.608 1.00 61.44 H new ATOM 0 HH21 ARG A 20 -2.526 11.548 6.963 1.00 74.03 H new ATOM 0 HH22 ARG A 20 -2.820 10.961 8.603 1.00 74.03 H new ATOM 368 N ILE A 21 3.811 8.455 3.436 1.00 62.20 N ATOM 369 CA ILE A 21 4.683 7.304 3.602 1.00 14.54 C ATOM 370 C ILE A 21 5.883 7.439 2.664 1.00 33.24 C ATOM 371 O ILE A 21 6.899 6.771 2.850 1.00 12.23 O ATOM 372 CB ILE A 21 3.897 6.005 3.411 1.00 70.13 C ATOM 373 CG1 ILE A 21 3.225 5.572 4.716 1.00 52.51 C ATOM 374 CG2 ILE A 21 4.788 4.904 2.833 1.00 40.52 C ATOM 375 CD1 ILE A 21 2.514 4.228 4.548 1.00 64.42 C ATOM 0 H ILE A 21 2.899 8.245 3.030 1.00 62.20 H new ATOM 0 HA ILE A 21 5.075 7.267 4.618 1.00 14.54 H new ATOM 0 HB ILE A 21 3.104 6.191 2.687 1.00 70.13 H new ATOM 0 HG12 ILE A 21 3.972 5.496 5.506 1.00 52.51 H new ATOM 0 HG13 ILE A 21 2.507 6.330 5.028 1.00 52.51 H new ATOM 0 HG21 ILE A 21 4.204 3.992 2.707 1.00 40.52 H new ATOM 0 HG22 ILE A 21 5.178 5.222 1.866 1.00 40.52 H new ATOM 0 HG23 ILE A 21 5.618 4.713 3.513 1.00 40.52 H new ATOM 0 HD11 ILE A 21 2.045 3.944 5.490 1.00 64.42 H new ATOM 0 HD12 ILE A 21 1.751 4.314 3.775 1.00 64.42 H new ATOM 0 HD13 ILE A 21 3.239 3.467 4.259 1.00 64.42 H new ATOM 387 N ALA A 22 5.728 8.309 1.677 1.00 53.32 N ATOM 388 CA ALA A 22 6.787 8.541 0.708 1.00 24.25 C ATOM 389 C ALA A 22 7.870 9.416 1.345 1.00 24.12 C ATOM 390 O ALA A 22 8.993 9.480 0.848 1.00 11.34 O ATOM 391 CB ALA A 22 6.195 9.170 -0.554 1.00 5.11 C ATOM 0 H ALA A 22 4.884 8.862 1.527 1.00 53.32 H new ATOM 0 HA ALA A 22 7.253 7.601 0.414 1.00 24.25 H new ATOM 0 HB1 ALA A 22 6.989 9.344 -1.281 1.00 5.11 H new ATOM 0 HB2 ALA A 22 5.452 8.497 -0.982 1.00 5.11 H new ATOM 0 HB3 ALA A 22 5.721 10.118 -0.300 1.00 5.11 H new ATOM 397 N ASP A 23 7.493 10.069 2.435 1.00 25.10 N ATOM 398 CA ASP A 23 8.417 10.938 3.143 1.00 52.05 C ATOM 399 C ASP A 23 8.869 10.252 4.433 1.00 73.32 C ATOM 400 O ASP A 23 9.866 10.646 5.035 1.00 52.31 O ATOM 401 CB ASP A 23 7.750 12.262 3.521 1.00 42.33 C ATOM 402 CG ASP A 23 8.689 13.316 4.110 1.00 74.04 C ATOM 403 OD1 ASP A 23 9.266 14.136 3.382 1.00 25.13 O ATOM 404 OD2 ASP A 23 8.821 13.271 5.393 1.00 10.42 O ATOM 0 H ASP A 23 6.561 10.013 2.845 1.00 25.10 H new ATOM 0 HA ASP A 23 9.264 11.136 2.485 1.00 52.05 H new ATOM 0 HB2 ASP A 23 7.274 12.678 2.633 1.00 42.33 H new ATOM 0 HB3 ASP A 23 6.958 12.059 4.242 1.00 42.33 H new ATOM 410 N ARG A 24 8.111 9.235 4.821 1.00 2.03 N ATOM 411 CA ARG A 24 8.421 8.490 6.029 1.00 72.20 C ATOM 412 C ARG A 24 9.241 7.243 5.689 1.00 42.41 C ATOM 413 O ARG A 24 10.370 7.094 6.151 1.00 42.21 O ATOM 414 CB ARG A 24 7.144 8.068 6.759 1.00 3.23 C ATOM 415 CG ARG A 24 6.743 9.107 7.809 1.00 41.44 C ATOM 416 CD ARG A 24 7.450 8.843 9.139 1.00 53.35 C ATOM 417 NE ARG A 24 6.805 7.708 9.837 1.00 3.11 N ATOM 418 CZ ARG A 24 6.879 7.499 11.170 1.00 64.41 C ATOM 419 NH1 ARG A 24 7.571 8.348 11.959 1.00 24.30 N ATOM 420 NH2 ARG A 24 6.263 6.452 11.688 1.00 54.54 N ATOM 0 H ARG A 24 7.284 8.911 4.320 1.00 2.03 H new ATOM 0 HA ARG A 24 9.000 9.143 6.681 1.00 72.20 H new ATOM 0 HB2 ARG A 24 6.335 7.942 6.040 1.00 3.23 H new ATOM 0 HB3 ARG A 24 7.298 7.101 7.239 1.00 3.23 H new ATOM 0 HG2 ARG A 24 6.994 10.106 7.452 1.00 41.44 H new ATOM 0 HG3 ARG A 24 5.663 9.083 7.956 1.00 41.44 H new ATOM 0 HD2 ARG A 24 8.503 8.622 8.963 1.00 53.35 H new ATOM 0 HD3 ARG A 24 7.411 9.735 9.764 1.00 53.35 H new ATOM 0 HE ARG A 24 6.272 7.043 9.277 1.00 3.11 H new ATOM 0 HH11 ARG A 24 8.043 9.154 11.550 1.00 24.30 H new ATOM 0 HH12 ARG A 24 7.622 8.183 12.964 1.00 24.30 H new ATOM 0 HH21 ARG A 24 5.742 5.816 11.084 1.00 54.54 H new ATOM 0 HH22 ARG A 24 6.308 6.279 12.692 1.00 54.54 H new ATOM 434 N PHE A 25 8.639 6.381 4.883 1.00 64.32 N ATOM 435 CA PHE A 25 9.300 5.153 4.475 1.00 21.45 C ATOM 436 C PHE A 25 9.408 5.068 2.952 1.00 22.31 C ATOM 437 O PHE A 25 8.605 4.397 2.304 1.00 4.20 O ATOM 438 CB PHE A 25 8.437 3.993 4.979 1.00 21.33 C ATOM 439 CG PHE A 25 7.746 4.266 6.315 1.00 40.00 C ATOM 440 CD1 PHE A 25 8.488 4.442 7.442 1.00 31.32 C ATOM 441 CD2 PHE A 25 6.389 4.333 6.380 1.00 62.14 C ATOM 442 CE1 PHE A 25 7.848 4.696 8.683 1.00 64.13 C ATOM 443 CE2 PHE A 25 5.747 4.586 7.620 1.00 33.12 C ATOM 444 CZ PHE A 25 6.490 4.763 8.746 1.00 35.34 C ATOM 0 H PHE A 25 7.702 6.508 4.502 1.00 64.32 H new ATOM 0 HA PHE A 25 10.309 5.119 4.886 1.00 21.45 H new ATOM 0 HB2 PHE A 25 7.679 3.765 4.230 1.00 21.33 H new ATOM 0 HB3 PHE A 25 9.062 3.106 5.080 1.00 21.33 H new ATOM 0 HD1 PHE A 25 9.566 4.388 7.392 1.00 31.32 H new ATOM 0 HD2 PHE A 25 5.799 4.193 5.486 1.00 62.14 H new ATOM 0 HE1 PHE A 25 8.438 4.836 9.577 1.00 64.13 H new ATOM 0 HE2 PHE A 25 4.669 4.638 7.670 1.00 33.12 H new ATOM 0 HZ PHE A 25 6.002 4.957 9.690 1.00 35.34 H new ATOM 454 N PRO A 26 10.434 5.776 2.408 1.00 41.11 N ATOM 455 CA PRO A 26 10.659 5.788 0.973 1.00 13.25 C ATOM 456 C PRO A 26 11.274 4.469 0.503 1.00 62.02 C ATOM 457 O PRO A 26 11.023 4.025 -0.615 1.00 74.20 O ATOM 458 CB PRO A 26 11.560 6.987 0.725 1.00 14.12 C ATOM 459 CG PRO A 26 12.183 7.324 2.070 1.00 11.53 C ATOM 460 CD PRO A 26 11.405 6.582 3.144 1.00 22.31 C ATOM 0 HA PRO A 26 9.734 5.878 0.403 1.00 13.25 H new ATOM 0 HB2 PRO A 26 12.327 6.753 -0.013 1.00 14.12 H new ATOM 0 HB3 PRO A 26 10.990 7.831 0.336 1.00 14.12 H new ATOM 0 HG2 PRO A 26 13.233 7.031 2.088 1.00 11.53 H new ATOM 0 HG3 PRO A 26 12.149 8.399 2.248 1.00 11.53 H new ATOM 0 HD2 PRO A 26 12.062 5.956 3.748 1.00 22.31 H new ATOM 0 HD3 PRO A 26 10.910 7.275 3.824 1.00 22.31 H new ATOM 468 N ASN A 27 12.071 3.879 1.382 1.00 3.54 N ATOM 469 CA ASN A 27 12.726 2.620 1.073 1.00 53.31 C ATOM 470 C ASN A 27 11.839 1.461 1.535 1.00 42.04 C ATOM 471 O ASN A 27 12.336 0.460 2.048 1.00 41.30 O ATOM 472 CB ASN A 27 14.069 2.503 1.796 1.00 71.12 C ATOM 473 CG ASN A 27 14.876 3.796 1.662 1.00 53.14 C ATOM 474 OD1 ASN A 27 14.755 4.538 0.701 1.00 72.44 O ATOM 475 ND2 ASN A 27 15.704 4.024 2.678 1.00 54.31 N ATOM 0 H ASN A 27 12.278 4.251 2.309 1.00 3.54 H new ATOM 0 HA ASN A 27 12.892 2.584 -0.004 1.00 53.31 H new ATOM 0 HB2 ASN A 27 13.901 2.282 2.850 1.00 71.12 H new ATOM 0 HB3 ASN A 27 14.638 1.670 1.383 1.00 71.12 H new ATOM 0 HD21 ASN A 27 16.286 4.861 2.683 1.00 54.31 H new ATOM 0 HD22 ASN A 27 15.756 3.361 3.452 1.00 54.31 H new ATOM 482 N ARG A 28 10.541 1.636 1.336 1.00 14.04 N ATOM 483 CA ARG A 28 9.580 0.619 1.725 1.00 70.34 C ATOM 484 C ARG A 28 8.670 0.267 0.546 1.00 20.11 C ATOM 485 O ARG A 28 8.750 0.890 -0.511 1.00 11.54 O ATOM 486 CB ARG A 28 8.721 1.092 2.900 1.00 32.42 C ATOM 487 CG ARG A 28 9.440 0.866 4.231 1.00 75.13 C ATOM 488 CD ARG A 28 9.886 -0.591 4.374 1.00 41.41 C ATOM 489 NE ARG A 28 10.050 -0.933 5.803 1.00 33.42 N ATOM 490 CZ ARG A 28 9.039 -1.317 6.610 1.00 25.54 C ATOM 491 NH1 ARG A 28 7.779 -1.411 6.131 1.00 25.31 N ATOM 492 NH2 ARG A 28 9.299 -1.599 7.873 1.00 71.52 N ATOM 0 H ARG A 28 10.132 2.468 0.910 1.00 14.04 H new ATOM 0 HA ARG A 28 10.140 -0.264 2.032 1.00 70.34 H new ATOM 0 HB2 ARG A 28 8.490 2.151 2.783 1.00 32.42 H new ATOM 0 HB3 ARG A 28 7.772 0.556 2.900 1.00 32.42 H new ATOM 0 HG2 ARG A 28 10.307 1.523 4.296 1.00 75.13 H new ATOM 0 HG3 ARG A 28 8.778 1.130 5.055 1.00 75.13 H new ATOM 0 HD2 ARG A 28 9.150 -1.252 3.916 1.00 41.41 H new ATOM 0 HD3 ARG A 28 10.826 -0.746 3.845 1.00 41.41 H new ATOM 0 HE ARG A 28 10.986 -0.875 6.204 1.00 33.42 H new ATOM 0 HH11 ARG A 28 7.587 -1.191 5.154 1.00 25.31 H new ATOM 0 HH12 ARG A 28 7.020 -1.702 6.747 1.00 25.31 H new ATOM 0 HH21 ARG A 28 10.253 -1.525 8.226 1.00 71.52 H new ATOM 0 HH22 ARG A 28 8.546 -1.891 8.496 1.00 71.52 H new ATOM 506 N ILE A 29 7.825 -0.729 0.768 1.00 73.21 N ATOM 507 CA ILE A 29 6.901 -1.170 -0.264 1.00 73.02 C ATOM 508 C ILE A 29 5.527 -1.417 0.361 1.00 4.10 C ATOM 509 O ILE A 29 5.292 -2.467 0.958 1.00 71.12 O ATOM 510 CB ILE A 29 7.466 -2.381 -1.007 1.00 63.20 C ATOM 511 CG1 ILE A 29 8.833 -2.062 -1.617 1.00 33.13 C ATOM 512 CG2 ILE A 29 6.476 -2.892 -2.055 1.00 31.31 C ATOM 513 CD1 ILE A 29 8.702 -1.046 -2.753 1.00 4.23 C ATOM 0 H ILE A 29 7.761 -1.243 1.647 1.00 73.21 H new ATOM 0 HA ILE A 29 6.774 -0.394 -1.019 1.00 73.02 H new ATOM 0 HB ILE A 29 7.615 -3.185 -0.286 1.00 63.20 H new ATOM 0 HG12 ILE A 29 9.496 -1.668 -0.847 1.00 33.13 H new ATOM 0 HG13 ILE A 29 9.290 -2.977 -1.994 1.00 33.13 H new ATOM 0 HG21 ILE A 29 6.903 -3.753 -2.569 1.00 31.31 H new ATOM 0 HG22 ILE A 29 5.547 -3.185 -1.566 1.00 31.31 H new ATOM 0 HG23 ILE A 29 6.272 -2.102 -2.778 1.00 31.31 H new ATOM 0 HD11 ILE A 29 9.687 -0.837 -3.169 1.00 4.23 H new ATOM 0 HD12 ILE A 29 8.058 -1.453 -3.532 1.00 4.23 H new ATOM 0 HD13 ILE A 29 8.267 -0.124 -2.368 1.00 4.23 H new ATOM 525 N PRO A 30 4.630 -0.408 0.198 1.00 11.44 N ATOM 526 CA PRO A 30 3.286 -0.505 0.740 1.00 41.20 C ATOM 527 C PRO A 30 2.424 -1.451 -0.099 1.00 64.02 C ATOM 528 O PRO A 30 2.205 -1.209 -1.286 1.00 31.24 O ATOM 529 CB PRO A 30 2.762 0.920 0.753 1.00 23.13 C ATOM 530 CG PRO A 30 3.647 1.698 -0.207 1.00 14.13 C ATOM 531 CD PRO A 30 4.873 0.850 -0.503 1.00 23.23 C ATOM 0 HA PRO A 30 3.267 -0.931 1.743 1.00 41.20 H new ATOM 0 HB2 PRO A 30 1.719 0.955 0.439 1.00 23.13 H new ATOM 0 HB3 PRO A 30 2.807 1.344 1.756 1.00 23.13 H new ATOM 0 HG2 PRO A 30 3.107 1.922 -1.127 1.00 14.13 H new ATOM 0 HG3 PRO A 30 3.940 2.652 0.232 1.00 14.13 H new ATOM 0 HD2 PRO A 30 4.995 0.690 -1.574 1.00 23.23 H new ATOM 0 HD3 PRO A 30 5.784 1.332 -0.148 1.00 23.23 H new ATOM 539 N VAL A 31 1.959 -2.510 0.549 1.00 35.55 N ATOM 540 CA VAL A 31 1.128 -3.493 -0.123 1.00 53.01 C ATOM 541 C VAL A 31 -0.075 -3.828 0.763 1.00 30.13 C ATOM 542 O VAL A 31 -0.140 -3.400 1.914 1.00 73.51 O ATOM 543 CB VAL A 31 1.961 -4.722 -0.490 1.00 32.41 C ATOM 544 CG1 VAL A 31 3.368 -4.316 -0.934 1.00 75.34 C ATOM 545 CG2 VAL A 31 2.018 -5.713 0.675 1.00 45.11 C ATOM 0 H VAL A 31 2.143 -2.708 1.533 1.00 35.55 H new ATOM 0 HA VAL A 31 0.741 -3.090 -1.059 1.00 53.01 H new ATOM 0 HB VAL A 31 1.475 -5.219 -1.329 1.00 32.41 H new ATOM 0 HG11 VAL A 31 3.940 -5.208 -1.190 1.00 75.34 H new ATOM 0 HG12 VAL A 31 3.301 -3.666 -1.806 1.00 75.34 H new ATOM 0 HG13 VAL A 31 3.866 -3.785 -0.123 1.00 75.34 H new ATOM 0 HG21 VAL A 31 2.616 -6.578 0.388 1.00 45.11 H new ATOM 0 HG22 VAL A 31 2.470 -5.230 1.541 1.00 45.11 H new ATOM 0 HG23 VAL A 31 1.008 -6.038 0.926 1.00 45.11 H new ATOM 555 N ILE A 32 -0.995 -4.592 0.192 1.00 65.24 N ATOM 556 CA ILE A 32 -2.191 -4.989 0.916 1.00 51.12 C ATOM 557 C ILE A 32 -2.532 -6.440 0.571 1.00 43.11 C ATOM 558 O ILE A 32 -2.990 -6.727 -0.535 1.00 14.33 O ATOM 559 CB ILE A 32 -3.332 -4.007 0.645 1.00 11.34 C ATOM 560 CG1 ILE A 32 -2.823 -2.565 0.629 1.00 25.11 C ATOM 561 CG2 ILE A 32 -4.472 -4.202 1.647 1.00 63.41 C ATOM 562 CD1 ILE A 32 -2.517 -2.075 2.045 1.00 50.14 C ATOM 0 H ILE A 32 -0.936 -4.946 -0.763 1.00 65.24 H new ATOM 0 HA ILE A 32 -2.017 -4.949 1.991 1.00 51.12 H new ATOM 0 HB ILE A 32 -3.735 -4.216 -0.346 1.00 11.34 H new ATOM 0 HG12 ILE A 32 -1.924 -2.500 0.016 1.00 25.11 H new ATOM 0 HG13 ILE A 32 -3.570 -1.917 0.170 1.00 25.11 H new ATOM 0 HG21 ILE A 32 -5.270 -3.492 1.432 1.00 63.41 H new ATOM 0 HG22 ILE A 32 -4.858 -5.218 1.565 1.00 63.41 H new ATOM 0 HG23 ILE A 32 -4.100 -4.035 2.658 1.00 63.41 H new ATOM 0 HD11 ILE A 32 -2.157 -1.047 2.004 1.00 50.14 H new ATOM 0 HD12 ILE A 32 -3.423 -2.118 2.649 1.00 50.14 H new ATOM 0 HD13 ILE A 32 -1.752 -2.710 2.492 1.00 50.14 H new ATOM 574 N CYS A 33 -2.296 -7.316 1.537 1.00 2.21 N ATOM 575 CA CYS A 33 -2.572 -8.730 1.348 1.00 35.42 C ATOM 576 C CYS A 33 -3.990 -9.013 1.849 1.00 3.32 C ATOM 577 O CYS A 33 -4.386 -8.529 2.908 1.00 43.20 O ATOM 578 CB CYS A 33 -1.534 -9.608 2.049 1.00 33.30 C ATOM 579 SG CYS A 33 -1.260 -11.142 1.090 1.00 13.01 S ATOM 0 H CYS A 33 -1.917 -7.074 2.452 1.00 2.21 H new ATOM 0 HA CYS A 33 -2.505 -8.978 0.289 1.00 35.42 H new ATOM 0 HB2 CYS A 33 -0.596 -9.063 2.154 1.00 33.30 H new ATOM 0 HB3 CYS A 33 -1.874 -9.854 3.055 1.00 33.30 H new ATOM 0 HG CYS A 33 -2.134 -12.037 1.444 1.00 13.01 H new ATOM 585 N GLU A 34 -4.715 -9.795 1.062 1.00 15.11 N ATOM 586 CA GLU A 34 -6.080 -10.148 1.413 1.00 60.01 C ATOM 587 C GLU A 34 -6.355 -11.614 1.068 1.00 42.00 C ATOM 588 O GLU A 34 -5.727 -12.171 0.170 1.00 21.50 O ATOM 589 CB GLU A 34 -7.082 -9.224 0.716 1.00 74.13 C ATOM 590 CG GLU A 34 -8.427 -9.224 1.445 1.00 21.12 C ATOM 591 CD GLU A 34 -9.260 -10.447 1.059 1.00 33.02 C ATOM 592 OE1 GLU A 34 -9.819 -11.121 1.937 1.00 61.31 O ATOM 593 OE2 GLU A 34 -9.319 -10.687 -0.208 1.00 64.42 O ATOM 0 H GLU A 34 -4.383 -10.193 0.184 1.00 15.11 H new ATOM 0 HA GLU A 34 -6.203 -10.019 2.488 1.00 60.01 H new ATOM 0 HB2 GLU A 34 -6.683 -8.210 0.681 1.00 74.13 H new ATOM 0 HB3 GLU A 34 -7.223 -9.547 -0.315 1.00 74.13 H new ATOM 0 HG2 GLU A 34 -8.261 -9.218 2.522 1.00 21.12 H new ATOM 0 HG3 GLU A 34 -8.976 -8.314 1.202 1.00 21.12 H new ATOM 601 N LYS A 35 -7.294 -12.194 1.800 1.00 12.15 N ATOM 602 CA LYS A 35 -7.659 -13.584 1.582 1.00 74.11 C ATOM 603 C LYS A 35 -8.658 -13.670 0.426 1.00 65.13 C ATOM 604 O LYS A 35 -9.672 -12.974 0.424 1.00 52.34 O ATOM 605 CB LYS A 35 -8.166 -14.214 2.880 1.00 54.43 C ATOM 606 CG LYS A 35 -9.524 -14.887 2.670 1.00 11.23 C ATOM 607 CD LYS A 35 -9.371 -16.207 1.912 1.00 11.40 C ATOM 608 CE LYS A 35 -10.476 -17.193 2.299 1.00 71.14 C ATOM 609 NZ LYS A 35 -11.277 -17.567 1.112 1.00 23.43 N ATOM 0 H LYS A 35 -7.813 -11.728 2.544 1.00 12.15 H new ATOM 0 HA LYS A 35 -6.784 -14.166 1.292 1.00 74.11 H new ATOM 0 HB2 LYS A 35 -7.444 -14.948 3.238 1.00 54.43 H new ATOM 0 HB3 LYS A 35 -8.251 -13.448 3.651 1.00 54.43 H new ATOM 0 HG2 LYS A 35 -9.996 -15.071 3.635 1.00 11.23 H new ATOM 0 HG3 LYS A 35 -10.183 -14.219 2.115 1.00 11.23 H new ATOM 0 HD2 LYS A 35 -9.405 -16.020 0.839 1.00 11.40 H new ATOM 0 HD3 LYS A 35 -8.396 -16.644 2.129 1.00 11.40 H new ATOM 0 HE2 LYS A 35 -10.036 -18.085 2.744 1.00 71.14 H new ATOM 0 HE3 LYS A 35 -11.122 -16.746 3.055 1.00 71.14 H new ATOM 0 HZ1 LYS A 35 -11.501 -18.582 1.150 1.00 23.43 H new ATOM 0 HZ2 LYS A 35 -12.160 -17.018 1.102 1.00 23.43 H new ATOM 0 HZ3 LYS A 35 -10.734 -17.365 0.249 1.00 23.43 H new ATOM 623 N ALA A 36 -8.336 -14.528 -0.530 1.00 44.15 N ATOM 624 CA ALA A 36 -9.191 -14.714 -1.690 1.00 42.21 C ATOM 625 C ALA A 36 -10.395 -15.572 -1.297 1.00 35.03 C ATOM 626 O ALA A 36 -10.247 -16.757 -1.004 1.00 61.54 O ATOM 627 CB ALA A 36 -8.379 -15.334 -2.829 1.00 55.13 C ATOM 0 H ALA A 36 -7.494 -15.103 -0.525 1.00 44.15 H new ATOM 0 HA ALA A 36 -9.571 -13.756 -2.045 1.00 42.21 H new ATOM 0 HB1 ALA A 36 -9.020 -15.474 -3.699 1.00 55.13 H new ATOM 0 HB2 ALA A 36 -7.553 -14.672 -3.089 1.00 55.13 H new ATOM 0 HB3 ALA A 36 -7.984 -16.299 -2.511 1.00 55.13 H new ATOM 633 N GLU A 37 -11.561 -14.940 -1.305 1.00 33.15 N ATOM 634 CA GLU A 37 -12.789 -15.632 -0.953 1.00 72.10 C ATOM 635 C GLU A 37 -12.818 -17.021 -1.594 1.00 21.01 C ATOM 636 O GLU A 37 -13.106 -18.011 -0.924 1.00 64.00 O ATOM 637 CB GLU A 37 -14.014 -14.813 -1.363 1.00 2.12 C ATOM 638 CG GLU A 37 -14.226 -14.863 -2.878 1.00 54.13 C ATOM 639 CD GLU A 37 -15.351 -13.919 -3.306 1.00 3.31 C ATOM 640 OE1 GLU A 37 -15.106 -12.962 -4.056 1.00 60.30 O ATOM 641 OE2 GLU A 37 -16.516 -14.208 -2.833 1.00 23.54 O ATOM 0 H GLU A 37 -11.680 -13.957 -1.550 1.00 33.15 H new ATOM 0 HA GLU A 37 -12.819 -15.753 0.130 1.00 72.10 H new ATOM 0 HB2 GLU A 37 -14.899 -15.197 -0.856 1.00 2.12 H new ATOM 0 HB3 GLU A 37 -13.887 -13.778 -1.044 1.00 2.12 H new ATOM 0 HG2 GLU A 37 -13.302 -14.588 -3.387 1.00 54.13 H new ATOM 0 HG3 GLU A 37 -14.466 -15.882 -3.182 1.00 54.13 H new ATOM 649 N LYS A 38 -12.517 -17.049 -2.883 1.00 32.50 N ATOM 650 CA LYS A 38 -12.504 -18.302 -3.621 1.00 70.13 C ATOM 651 C LYS A 38 -11.837 -19.384 -2.770 1.00 34.33 C ATOM 652 O LYS A 38 -12.326 -20.510 -2.697 1.00 61.34 O ATOM 653 CB LYS A 38 -11.853 -18.108 -4.992 1.00 31.21 C ATOM 654 CG LYS A 38 -12.358 -16.829 -5.663 1.00 30.31 C ATOM 655 CD LYS A 38 -11.258 -15.767 -5.715 1.00 62.11 C ATOM 656 CE LYS A 38 -11.203 -15.101 -7.090 1.00 24.23 C ATOM 657 NZ LYS A 38 -10.449 -15.944 -8.045 1.00 2.33 N ATOM 0 H LYS A 38 -12.280 -16.225 -3.436 1.00 32.50 H new ATOM 0 HA LYS A 38 -13.522 -18.637 -3.821 1.00 70.13 H new ATOM 0 HB2 LYS A 38 -10.770 -18.061 -4.881 1.00 31.21 H new ATOM 0 HB3 LYS A 38 -12.071 -18.967 -5.627 1.00 31.21 H new ATOM 0 HG2 LYS A 38 -12.699 -17.054 -6.673 1.00 30.31 H new ATOM 0 HG3 LYS A 38 -13.217 -16.442 -5.115 1.00 30.31 H new ATOM 0 HD2 LYS A 38 -11.439 -15.013 -4.949 1.00 62.11 H new ATOM 0 HD3 LYS A 38 -10.295 -16.225 -5.490 1.00 62.11 H new ATOM 0 HE2 LYS A 38 -12.214 -14.936 -7.461 1.00 24.23 H new ATOM 0 HE3 LYS A 38 -10.730 -14.122 -7.008 1.00 24.23 H new ATOM 0 HZ1 LYS A 38 -10.421 -15.477 -8.974 1.00 2.33 H new ATOM 0 HZ2 LYS A 38 -9.478 -16.080 -7.697 1.00 2.33 H new ATOM 0 HZ3 LYS A 38 -10.917 -16.868 -8.136 1.00 2.33 H new ATOM 671 N SER A 39 -10.730 -19.004 -2.150 1.00 31.52 N ATOM 672 CA SER A 39 -9.990 -19.928 -1.307 1.00 23.13 C ATOM 673 C SER A 39 -10.861 -20.375 -0.131 1.00 61.22 C ATOM 674 O SER A 39 -11.902 -19.777 0.139 1.00 52.33 O ATOM 675 CB SER A 39 -8.694 -19.293 -0.799 1.00 23.31 C ATOM 676 OG SER A 39 -7.593 -20.192 -0.876 1.00 4.43 O ATOM 0 H SER A 39 -10.327 -18.069 -2.214 1.00 31.52 H new ATOM 0 HA SER A 39 -9.724 -20.800 -1.905 1.00 23.13 H new ATOM 0 HB2 SER A 39 -8.474 -18.400 -1.384 1.00 23.31 H new ATOM 0 HB3 SER A 39 -8.828 -18.972 0.234 1.00 23.31 H new ATOM 0 HG SER A 39 -7.295 -20.265 -1.807 1.00 4.43 H new ATOM 682 N ASP A 40 -10.402 -21.421 0.539 1.00 65.12 N ATOM 683 CA ASP A 40 -11.125 -21.955 1.681 1.00 2.54 C ATOM 684 C ASP A 40 -10.232 -21.885 2.922 1.00 55.42 C ATOM 685 O ASP A 40 -10.388 -22.683 3.847 1.00 54.00 O ATOM 686 CB ASP A 40 -11.508 -23.420 1.454 1.00 11.34 C ATOM 687 CG ASP A 40 -12.796 -23.866 2.147 1.00 55.40 C ATOM 688 OD1 ASP A 40 -13.319 -23.171 3.033 1.00 20.22 O ATOM 689 OD2 ASP A 40 -13.274 -24.992 1.738 1.00 14.32 O ATOM 0 H ASP A 40 -9.538 -21.914 0.313 1.00 65.12 H new ATOM 0 HA ASP A 40 -12.030 -21.363 1.815 1.00 2.54 H new ATOM 0 HB2 ASP A 40 -11.612 -23.591 0.382 1.00 11.34 H new ATOM 0 HB3 ASP A 40 -10.690 -24.052 1.800 1.00 11.34 H new ATOM 695 N ILE A 41 -9.320 -20.927 2.902 1.00 65.22 N ATOM 696 CA ILE A 41 -8.404 -20.742 4.015 1.00 75.43 C ATOM 697 C ILE A 41 -8.998 -19.729 4.998 1.00 34.44 C ATOM 698 O ILE A 41 -10.009 -19.095 4.704 1.00 24.44 O ATOM 699 CB ILE A 41 -7.012 -20.362 3.505 1.00 1.44 C ATOM 700 CG1 ILE A 41 -6.793 -18.849 3.585 1.00 4.10 C ATOM 701 CG2 ILE A 41 -6.779 -20.901 2.093 1.00 21.52 C ATOM 702 CD1 ILE A 41 -5.705 -18.401 2.608 1.00 2.30 C ATOM 0 H ILE A 41 -9.195 -20.269 2.133 1.00 65.22 H new ATOM 0 HA ILE A 41 -8.274 -21.676 4.561 1.00 75.43 H new ATOM 0 HB ILE A 41 -6.271 -20.829 4.154 1.00 1.44 H new ATOM 0 HG12 ILE A 41 -7.725 -18.331 3.360 1.00 4.10 H new ATOM 0 HG13 ILE A 41 -6.511 -18.572 4.601 1.00 4.10 H new ATOM 0 HG21 ILE A 41 -5.783 -20.617 1.755 1.00 21.52 H new ATOM 0 HG22 ILE A 41 -6.864 -21.988 2.100 1.00 21.52 H new ATOM 0 HG23 ILE A 41 -7.525 -20.483 1.416 1.00 21.52 H new ATOM 0 HD11 ILE A 41 -5.569 -17.322 2.685 1.00 2.30 H new ATOM 0 HD12 ILE A 41 -4.769 -18.903 2.851 1.00 2.30 H new ATOM 0 HD13 ILE A 41 -6.001 -18.658 1.591 1.00 2.30 H new ATOM 714 N PRO A 42 -8.325 -19.607 6.173 1.00 50.44 N ATOM 715 CA PRO A 42 -8.775 -18.683 7.200 1.00 24.42 C ATOM 716 C PRO A 42 -8.444 -17.238 6.820 1.00 24.50 C ATOM 717 O PRO A 42 -7.284 -16.906 6.581 1.00 43.12 O ATOM 718 CB PRO A 42 -8.078 -19.137 8.472 1.00 64.40 C ATOM 719 CG PRO A 42 -6.912 -20.003 8.021 1.00 30.21 C ATOM 720 CD PRO A 42 -7.123 -20.343 6.555 1.00 32.44 C ATOM 0 HA PRO A 42 -9.857 -18.693 7.330 1.00 24.42 H new ATOM 0 HB2 PRO A 42 -7.729 -18.283 9.052 1.00 64.40 H new ATOM 0 HB3 PRO A 42 -8.759 -19.700 9.111 1.00 64.40 H new ATOM 0 HG2 PRO A 42 -5.969 -19.474 8.158 1.00 30.21 H new ATOM 0 HG3 PRO A 42 -6.858 -20.912 8.620 1.00 30.21 H new ATOM 0 HD2 PRO A 42 -6.266 -20.043 5.952 1.00 32.44 H new ATOM 0 HD3 PRO A 42 -7.253 -21.416 6.412 1.00 32.44 H new ATOM 728 N GLU A 43 -9.484 -16.418 6.776 1.00 42.44 N ATOM 729 CA GLU A 43 -9.318 -15.016 6.429 1.00 50.22 C ATOM 730 C GLU A 43 -8.398 -14.326 7.437 1.00 11.31 C ATOM 731 O GLU A 43 -8.309 -14.745 8.591 1.00 21.42 O ATOM 732 CB GLU A 43 -10.672 -14.308 6.348 1.00 1.13 C ATOM 733 CG GLU A 43 -10.566 -13.015 5.539 1.00 32.10 C ATOM 734 CD GLU A 43 -11.940 -12.366 5.360 1.00 74.43 C ATOM 735 OE1 GLU A 43 -12.910 -13.055 5.014 1.00 70.25 O ATOM 736 OE2 GLU A 43 -11.980 -11.099 5.595 1.00 12.44 O ATOM 0 H GLU A 43 -10.445 -16.697 6.975 1.00 42.44 H new ATOM 0 HA GLU A 43 -8.855 -14.957 5.444 1.00 50.22 H new ATOM 0 HB2 GLU A 43 -11.406 -14.970 5.888 1.00 1.13 H new ATOM 0 HB3 GLU A 43 -11.030 -14.084 7.353 1.00 1.13 H new ATOM 0 HG2 GLU A 43 -9.895 -12.320 6.044 1.00 32.10 H new ATOM 0 HG3 GLU A 43 -10.130 -13.227 4.563 1.00 32.10 H new ATOM 744 N ILE A 44 -7.736 -13.280 6.965 1.00 60.22 N ATOM 745 CA ILE A 44 -6.824 -12.528 7.811 1.00 23.32 C ATOM 746 C ILE A 44 -7.620 -11.512 8.632 1.00 4.52 C ATOM 747 O ILE A 44 -8.757 -11.186 8.292 1.00 3.42 O ATOM 748 CB ILE A 44 -5.708 -11.903 6.973 1.00 42.45 C ATOM 749 CG1 ILE A 44 -4.704 -11.165 7.860 1.00 43.41 C ATOM 750 CG2 ILE A 44 -6.282 -10.998 5.881 1.00 73.53 C ATOM 751 CD1 ILE A 44 -3.590 -10.533 7.021 1.00 33.21 C ATOM 0 H ILE A 44 -7.813 -12.935 6.008 1.00 60.22 H new ATOM 0 HA ILE A 44 -6.326 -13.191 8.519 1.00 23.32 H new ATOM 0 HB ILE A 44 -5.167 -12.706 6.473 1.00 42.45 H new ATOM 0 HG12 ILE A 44 -5.218 -10.391 8.431 1.00 43.41 H new ATOM 0 HG13 ILE A 44 -4.272 -11.859 8.581 1.00 43.41 H new ATOM 0 HG21 ILE A 44 -5.467 -10.567 5.300 1.00 73.53 H new ATOM 0 HG22 ILE A 44 -6.925 -11.583 5.224 1.00 73.53 H new ATOM 0 HG23 ILE A 44 -6.863 -10.198 6.340 1.00 73.53 H new ATOM 0 HD11 ILE A 44 -2.890 -10.015 7.677 1.00 33.21 H new ATOM 0 HD12 ILE A 44 -3.063 -11.312 6.470 1.00 33.21 H new ATOM 0 HD13 ILE A 44 -4.023 -9.822 6.318 1.00 33.21 H new ATOM 763 N ASP A 45 -6.991 -11.036 9.697 1.00 33.03 N ATOM 764 CA ASP A 45 -7.626 -10.063 10.569 1.00 71.14 C ATOM 765 C ASP A 45 -7.903 -8.782 9.779 1.00 0.43 C ATOM 766 O ASP A 45 -9.017 -8.260 9.805 1.00 74.13 O ATOM 767 CB ASP A 45 -6.719 -9.705 11.748 1.00 41.02 C ATOM 768 CG ASP A 45 -5.223 -9.684 11.430 1.00 61.43 C ATOM 769 OD1 ASP A 45 -4.812 -9.340 10.312 1.00 63.25 O ATOM 770 OD2 ASP A 45 -4.454 -10.045 12.401 1.00 2.34 O ATOM 0 H ASP A 45 -6.048 -11.306 9.975 1.00 33.03 H new ATOM 0 HA ASP A 45 -8.551 -10.500 10.946 1.00 71.14 H new ATOM 0 HB2 ASP A 45 -7.009 -8.724 12.125 1.00 41.02 H new ATOM 0 HB3 ASP A 45 -6.894 -10.420 12.552 1.00 41.02 H new ATOM 776 N LYS A 46 -6.869 -8.311 9.097 1.00 54.04 N ATOM 777 CA LYS A 46 -6.988 -7.100 8.301 1.00 51.14 C ATOM 778 C LYS A 46 -6.039 -7.187 7.105 1.00 4.32 C ATOM 779 O LYS A 46 -5.141 -8.029 7.080 1.00 25.51 O ATOM 780 CB LYS A 46 -6.766 -5.862 9.173 1.00 35.22 C ATOM 781 CG LYS A 46 -5.545 -6.040 10.078 1.00 72.31 C ATOM 782 CD LYS A 46 -4.326 -6.495 9.271 1.00 10.44 C ATOM 783 CE LYS A 46 -3.027 -6.171 10.012 1.00 5.34 C ATOM 784 NZ LYS A 46 -1.993 -7.185 9.709 1.00 3.44 N ATOM 0 H LYS A 46 -5.946 -8.745 9.079 1.00 54.04 H new ATOM 0 HA LYS A 46 -7.998 -7.004 7.902 1.00 51.14 H new ATOM 0 HB2 LYS A 46 -6.628 -4.986 8.539 1.00 35.22 H new ATOM 0 HB3 LYS A 46 -7.651 -5.679 9.782 1.00 35.22 H new ATOM 0 HG2 LYS A 46 -5.322 -5.100 10.582 1.00 72.31 H new ATOM 0 HG3 LYS A 46 -5.766 -6.773 10.854 1.00 72.31 H new ATOM 0 HD2 LYS A 46 -4.386 -7.568 9.087 1.00 10.44 H new ATOM 0 HD3 LYS A 46 -4.326 -6.005 8.298 1.00 10.44 H new ATOM 0 HE2 LYS A 46 -2.672 -5.182 9.721 1.00 5.34 H new ATOM 0 HE3 LYS A 46 -3.211 -6.140 11.086 1.00 5.34 H new ATOM 0 HZ1 LYS A 46 -1.061 -6.726 9.660 1.00 3.44 H new ATOM 0 HZ2 LYS A 46 -1.984 -7.907 10.458 1.00 3.44 H new ATOM 0 HZ3 LYS A 46 -2.206 -7.636 8.796 1.00 3.44 H new ATOM 798 N ARG A 47 -6.268 -6.306 6.142 1.00 22.33 N ATOM 799 CA ARG A 47 -5.444 -6.273 4.946 1.00 73.31 C ATOM 800 C ARG A 47 -4.564 -5.022 4.941 1.00 10.15 C ATOM 801 O ARG A 47 -5.002 -3.951 4.520 1.00 4.24 O ATOM 802 CB ARG A 47 -6.307 -6.286 3.683 1.00 1.04 C ATOM 803 CG ARG A 47 -7.622 -5.536 3.910 1.00 52.44 C ATOM 804 CD ARG A 47 -8.231 -5.084 2.582 1.00 32.42 C ATOM 805 NE ARG A 47 -8.056 -6.138 1.559 1.00 24.35 N ATOM 806 CZ ARG A 47 -8.376 -5.987 0.255 1.00 51.53 C ATOM 807 NH1 ARG A 47 -8.891 -4.825 -0.194 1.00 63.21 N ATOM 808 NH2 ARG A 47 -8.176 -6.997 -0.573 1.00 1.01 N ATOM 0 H ARG A 47 -7.013 -5.609 6.166 1.00 22.33 H new ATOM 0 HA ARG A 47 -4.815 -7.163 4.952 1.00 73.31 H new ATOM 0 HB2 ARG A 47 -5.760 -5.827 2.860 1.00 1.04 H new ATOM 0 HB3 ARG A 47 -6.517 -7.315 3.392 1.00 1.04 H new ATOM 0 HG2 ARG A 47 -8.326 -6.180 4.437 1.00 52.44 H new ATOM 0 HG3 ARG A 47 -7.445 -4.669 4.547 1.00 52.44 H new ATOM 0 HD2 ARG A 47 -9.291 -4.867 2.714 1.00 32.42 H new ATOM 0 HD3 ARG A 47 -7.755 -4.161 2.250 1.00 32.42 H new ATOM 0 HE ARG A 47 -7.670 -7.034 1.856 1.00 24.35 H new ATOM 0 HH11 ARG A 47 -9.042 -4.051 0.452 1.00 63.21 H new ATOM 0 HH12 ARG A 47 -9.130 -4.720 -1.180 1.00 63.21 H new ATOM 0 HH21 ARG A 47 -7.786 -7.873 -0.224 1.00 1.01 H new ATOM 0 HH22 ARG A 47 -8.412 -6.901 -1.561 1.00 1.01 H new ATOM 822 N LYS A 48 -3.340 -5.196 5.416 1.00 32.22 N ATOM 823 CA LYS A 48 -2.394 -4.094 5.473 1.00 13.13 C ATOM 824 C LYS A 48 -0.989 -4.645 5.724 1.00 65.41 C ATOM 825 O LYS A 48 -0.686 -5.107 6.823 1.00 32.21 O ATOM 826 CB LYS A 48 -2.842 -3.057 6.506 1.00 2.52 C ATOM 827 CG LYS A 48 -1.700 -2.097 6.849 1.00 31.03 C ATOM 828 CD LYS A 48 -1.269 -1.296 5.619 1.00 5.15 C ATOM 829 CE LYS A 48 0.178 -0.818 5.756 1.00 62.34 C ATOM 830 NZ LYS A 48 1.098 -1.746 5.061 1.00 61.43 N ATOM 0 H LYS A 48 -2.981 -6.084 5.765 1.00 32.22 H new ATOM 0 HA LYS A 48 -2.364 -3.568 4.519 1.00 13.13 H new ATOM 0 HB2 LYS A 48 -3.691 -2.494 6.117 1.00 2.52 H new ATOM 0 HB3 LYS A 48 -3.182 -3.562 7.410 1.00 2.52 H new ATOM 0 HG2 LYS A 48 -2.018 -1.416 7.638 1.00 31.03 H new ATOM 0 HG3 LYS A 48 -0.851 -2.660 7.237 1.00 31.03 H new ATOM 0 HD2 LYS A 48 -1.369 -1.912 4.726 1.00 5.15 H new ATOM 0 HD3 LYS A 48 -1.929 -0.438 5.490 1.00 5.15 H new ATOM 0 HE2 LYS A 48 0.278 0.184 5.338 1.00 62.34 H new ATOM 0 HE3 LYS A 48 0.447 -0.751 6.810 1.00 62.34 H new ATOM 0 HZ1 LYS A 48 1.901 -1.212 4.672 1.00 61.43 H new ATOM 0 HZ2 LYS A 48 1.448 -2.457 5.735 1.00 61.43 H new ATOM 0 HZ3 LYS A 48 0.592 -2.222 4.287 1.00 61.43 H new ATOM 844 N TYR A 49 -0.168 -4.578 4.686 1.00 55.14 N ATOM 845 CA TYR A 49 1.198 -5.065 4.780 1.00 61.12 C ATOM 846 C TYR A 49 2.177 -4.074 4.148 1.00 45.23 C ATOM 847 O TYR A 49 2.026 -3.702 2.985 1.00 72.34 O ATOM 848 CB TYR A 49 1.234 -6.374 3.991 1.00 0.44 C ATOM 849 CG TYR A 49 0.627 -7.567 4.734 1.00 32.21 C ATOM 850 CD1 TYR A 49 -0.743 -7.709 4.807 1.00 4.35 C ATOM 851 CD2 TYR A 49 1.451 -8.500 5.330 1.00 44.50 C ATOM 852 CE1 TYR A 49 -1.315 -8.830 5.508 1.00 40.03 C ATOM 853 CE2 TYR A 49 0.880 -9.621 6.030 1.00 10.22 C ATOM 854 CZ TYR A 49 -0.474 -9.731 6.083 1.00 11.31 C ATOM 855 OH TYR A 49 -1.014 -10.791 6.744 1.00 30.03 O ATOM 0 H TYR A 49 -0.422 -4.194 3.776 1.00 55.14 H new ATOM 0 HA TYR A 49 1.488 -5.198 5.822 1.00 61.12 H new ATOM 0 HB2 TYR A 49 0.700 -6.234 3.051 1.00 0.44 H new ATOM 0 HB3 TYR A 49 2.269 -6.605 3.738 1.00 0.44 H new ATOM 0 HD1 TYR A 49 -1.387 -6.980 4.338 1.00 4.35 H new ATOM 0 HD2 TYR A 49 2.524 -8.389 5.271 1.00 44.50 H new ATOM 0 HE1 TYR A 49 -2.386 -8.952 5.575 1.00 40.03 H new ATOM 0 HE2 TYR A 49 1.513 -10.358 6.502 1.00 10.22 H new ATOM 0 HH TYR A 49 -0.714 -11.625 6.326 1.00 30.03 H new ATOM 865 N LEU A 50 3.161 -3.677 4.941 1.00 74.33 N ATOM 866 CA LEU A 50 4.166 -2.736 4.474 1.00 43.30 C ATOM 867 C LEU A 50 5.513 -3.451 4.357 1.00 30.44 C ATOM 868 O LEU A 50 6.374 -3.306 5.224 1.00 14.21 O ATOM 869 CB LEU A 50 4.203 -1.500 5.373 1.00 73.54 C ATOM 870 CG LEU A 50 4.473 -0.166 4.671 1.00 22.24 C ATOM 871 CD1 LEU A 50 3.163 0.544 4.325 1.00 24.21 C ATOM 872 CD2 LEU A 50 5.400 0.716 5.508 1.00 4.24 C ATOM 0 H LEU A 50 3.284 -3.990 5.904 1.00 74.33 H new ATOM 0 HA LEU A 50 3.911 -2.370 3.479 1.00 43.30 H new ATOM 0 HB2 LEU A 50 3.249 -1.426 5.895 1.00 73.54 H new ATOM 0 HB3 LEU A 50 4.971 -1.650 6.132 1.00 73.54 H new ATOM 0 HG LEU A 50 4.987 -0.371 3.732 1.00 22.24 H new ATOM 0 HD11 LEU A 50 3.382 1.489 3.827 1.00 24.21 H new ATOM 0 HD12 LEU A 50 2.571 -0.087 3.662 1.00 24.21 H new ATOM 0 HD13 LEU A 50 2.601 0.737 5.239 1.00 24.21 H new ATOM 0 HD21 LEU A 50 5.575 1.657 4.987 1.00 4.24 H new ATOM 0 HD22 LEU A 50 4.937 0.917 6.474 1.00 4.24 H new ATOM 0 HD23 LEU A 50 6.350 0.203 5.661 1.00 4.24 H new ATOM 884 N VAL A 51 5.653 -4.211 3.280 1.00 34.04 N ATOM 885 CA VAL A 51 6.881 -4.950 3.040 1.00 63.40 C ATOM 886 C VAL A 51 7.952 -3.993 2.513 1.00 40.31 C ATOM 887 O VAL A 51 7.636 -3.005 1.852 1.00 53.13 O ATOM 888 CB VAL A 51 6.609 -6.123 2.097 1.00 5.34 C ATOM 889 CG1 VAL A 51 5.666 -7.139 2.742 1.00 22.24 C ATOM 890 CG2 VAL A 51 6.054 -5.631 0.758 1.00 42.33 C ATOM 0 H VAL A 51 4.936 -4.331 2.564 1.00 34.04 H new ATOM 0 HA VAL A 51 7.258 -5.378 3.969 1.00 63.40 H new ATOM 0 HB VAL A 51 7.557 -6.624 1.903 1.00 5.34 H new ATOM 0 HG11 VAL A 51 5.490 -7.962 2.050 1.00 22.24 H new ATOM 0 HG12 VAL A 51 6.117 -7.524 3.657 1.00 22.24 H new ATOM 0 HG13 VAL A 51 4.718 -6.656 2.980 1.00 22.24 H new ATOM 0 HG21 VAL A 51 5.869 -6.484 0.105 1.00 42.33 H new ATOM 0 HG22 VAL A 51 5.121 -5.094 0.926 1.00 42.33 H new ATOM 0 HG23 VAL A 51 6.777 -4.964 0.288 1.00 42.33 H new ATOM 900 N PRO A 52 9.230 -4.329 2.832 1.00 31.35 N ATOM 901 CA PRO A 52 10.350 -3.511 2.399 1.00 52.22 C ATOM 902 C PRO A 52 10.633 -3.714 0.908 1.00 45.42 C ATOM 903 O PRO A 52 9.927 -4.464 0.237 1.00 24.12 O ATOM 904 CB PRO A 52 11.511 -3.930 3.287 1.00 72.44 C ATOM 905 CG PRO A 52 11.127 -5.282 3.864 1.00 72.05 C ATOM 906 CD PRO A 52 9.643 -5.492 3.613 1.00 62.34 C ATOM 0 HA PRO A 52 10.155 -2.443 2.500 1.00 52.22 H new ATOM 0 HB2 PRO A 52 12.436 -3.998 2.714 1.00 72.44 H new ATOM 0 HB3 PRO A 52 11.680 -3.201 4.079 1.00 72.44 H new ATOM 0 HG2 PRO A 52 11.709 -6.076 3.396 1.00 72.05 H new ATOM 0 HG3 PRO A 52 11.342 -5.316 4.932 1.00 72.05 H new ATOM 0 HD2 PRO A 52 9.461 -6.419 3.069 1.00 62.34 H new ATOM 0 HD3 PRO A 52 9.089 -5.557 4.549 1.00 62.34 H new ATOM 914 N ALA A 53 11.667 -3.034 0.436 1.00 53.20 N ATOM 915 CA ALA A 53 12.052 -3.131 -0.961 1.00 13.10 C ATOM 916 C ALA A 53 13.122 -4.214 -1.116 1.00 64.41 C ATOM 917 O ALA A 53 13.833 -4.249 -2.119 1.00 65.24 O ATOM 918 CB ALA A 53 12.530 -1.763 -1.455 1.00 72.45 C ATOM 0 H ALA A 53 12.250 -2.413 0.997 1.00 53.20 H new ATOM 0 HA ALA A 53 11.199 -3.420 -1.576 1.00 13.10 H new ATOM 0 HB1 ALA A 53 12.819 -1.835 -2.503 1.00 72.45 H new ATOM 0 HB2 ALA A 53 11.724 -1.036 -1.350 1.00 72.45 H new ATOM 0 HB3 ALA A 53 13.387 -1.442 -0.864 1.00 72.45 H new ATOM 924 N ASP A 54 13.201 -5.072 -0.110 1.00 11.31 N ATOM 925 CA ASP A 54 14.173 -6.152 -0.123 1.00 24.43 C ATOM 926 C ASP A 54 13.440 -7.492 -0.024 1.00 24.43 C ATOM 927 O ASP A 54 13.824 -8.462 -0.674 1.00 72.41 O ATOM 928 CB ASP A 54 15.128 -6.048 1.068 1.00 32.13 C ATOM 929 CG ASP A 54 16.257 -5.029 0.902 1.00 4.14 C ATOM 930 OD1 ASP A 54 16.419 -4.115 1.725 1.00 20.21 O ATOM 931 OD2 ASP A 54 17.001 -5.203 -0.137 1.00 61.44 O ATOM 0 H ASP A 54 12.608 -5.041 0.719 1.00 11.31 H new ATOM 0 HA ASP A 54 14.743 -6.082 -1.050 1.00 24.43 H new ATOM 0 HB2 ASP A 54 14.551 -5.788 1.956 1.00 32.13 H new ATOM 0 HB3 ASP A 54 15.567 -7.029 1.249 1.00 32.13 H new ATOM 937 N LEU A 55 12.397 -7.501 0.794 1.00 53.33 N ATOM 938 CA LEU A 55 11.607 -8.705 0.986 1.00 33.10 C ATOM 939 C LEU A 55 11.091 -9.193 -0.370 1.00 55.22 C ATOM 940 O LEU A 55 10.511 -8.422 -1.132 1.00 73.35 O ATOM 941 CB LEU A 55 10.499 -8.461 2.013 1.00 22.25 C ATOM 942 CG LEU A 55 9.937 -9.706 2.702 1.00 42.04 C ATOM 943 CD1 LEU A 55 10.530 -9.872 4.102 1.00 33.21 C ATOM 944 CD2 LEU A 55 8.408 -9.676 2.726 1.00 41.11 C ATOM 0 H LEU A 55 12.081 -6.693 1.331 1.00 53.33 H new ATOM 0 HA LEU A 55 12.224 -9.503 1.400 1.00 33.10 H new ATOM 0 HB2 LEU A 55 10.883 -7.788 2.780 1.00 22.25 H new ATOM 0 HB3 LEU A 55 9.678 -7.943 1.517 1.00 22.25 H new ATOM 0 HG LEU A 55 10.232 -10.580 2.122 1.00 42.04 H new ATOM 0 HD11 LEU A 55 10.114 -10.764 4.570 1.00 33.21 H new ATOM 0 HD12 LEU A 55 11.613 -9.972 4.029 1.00 33.21 H new ATOM 0 HD13 LEU A 55 10.286 -8.998 4.706 1.00 33.21 H new ATOM 0 HD21 LEU A 55 8.034 -10.572 3.221 1.00 41.11 H new ATOM 0 HD22 LEU A 55 8.070 -8.794 3.269 1.00 41.11 H new ATOM 0 HD23 LEU A 55 8.029 -9.641 1.705 1.00 41.11 H new ATOM 956 N THR A 56 11.322 -10.472 -0.630 1.00 33.54 N ATOM 957 CA THR A 56 10.889 -11.072 -1.880 1.00 20.24 C ATOM 958 C THR A 56 9.483 -11.655 -1.732 1.00 22.22 C ATOM 959 O THR A 56 8.906 -11.626 -0.646 1.00 33.44 O ATOM 960 CB THR A 56 11.936 -12.108 -2.295 1.00 3.12 C ATOM 961 OG1 THR A 56 11.619 -13.255 -1.512 1.00 4.55 O ATOM 962 CG2 THR A 56 13.348 -11.727 -1.844 1.00 24.15 C ATOM 0 H THR A 56 11.804 -11.109 0.004 1.00 33.54 H new ATOM 0 HA THR A 56 10.816 -10.327 -2.672 1.00 20.24 H new ATOM 0 HB THR A 56 11.921 -12.225 -3.379 1.00 3.12 H new ATOM 0 HG1 THR A 56 12.249 -13.977 -1.719 1.00 4.55 H new ATOM 0 HG21 THR A 56 14.052 -12.495 -2.164 1.00 24.15 H new ATOM 0 HG22 THR A 56 13.627 -10.772 -2.289 1.00 24.15 H new ATOM 0 HG23 THR A 56 13.372 -11.642 -0.758 1.00 24.15 H new ATOM 970 N VAL A 57 8.972 -12.172 -2.840 1.00 60.44 N ATOM 971 CA VAL A 57 7.643 -12.762 -2.848 1.00 24.01 C ATOM 972 C VAL A 57 7.635 -14.000 -1.950 1.00 24.23 C ATOM 973 O VAL A 57 6.699 -14.208 -1.179 1.00 23.23 O ATOM 974 CB VAL A 57 7.213 -13.061 -4.284 1.00 35.30 C ATOM 975 CG1 VAL A 57 6.182 -14.192 -4.323 1.00 34.23 C ATOM 976 CG2 VAL A 57 6.671 -11.803 -4.968 1.00 3.30 C ATOM 0 H VAL A 57 9.454 -12.195 -3.739 1.00 60.44 H new ATOM 0 HA VAL A 57 6.911 -12.063 -2.443 1.00 24.01 H new ATOM 0 HB VAL A 57 8.094 -13.390 -4.836 1.00 35.30 H new ATOM 0 HG11 VAL A 57 5.893 -14.385 -5.356 1.00 34.23 H new ATOM 0 HG12 VAL A 57 6.616 -15.095 -3.893 1.00 34.23 H new ATOM 0 HG13 VAL A 57 5.302 -13.903 -3.748 1.00 34.23 H new ATOM 0 HG21 VAL A 57 6.372 -12.044 -5.988 1.00 3.30 H new ATOM 0 HG22 VAL A 57 5.808 -11.431 -4.415 1.00 3.30 H new ATOM 0 HG23 VAL A 57 7.446 -11.037 -4.988 1.00 3.30 H new ATOM 986 N GLY A 58 8.689 -14.793 -2.080 1.00 11.12 N ATOM 987 CA GLY A 58 8.816 -16.006 -1.289 1.00 42.23 C ATOM 988 C GLY A 58 9.092 -15.678 0.178 1.00 73.23 C ATOM 989 O GLY A 58 9.086 -16.567 1.029 1.00 60.02 O ATOM 0 H GLY A 58 9.463 -14.619 -2.721 1.00 11.12 H new ATOM 0 HA2 GLY A 58 7.901 -16.593 -1.368 1.00 42.23 H new ATOM 0 HA3 GLY A 58 9.624 -16.620 -1.686 1.00 42.23 H new ATOM 993 N GLN A 59 9.326 -14.399 0.432 1.00 64.11 N ATOM 994 CA GLN A 59 9.605 -13.943 1.785 1.00 61.51 C ATOM 995 C GLN A 59 8.343 -13.350 2.414 1.00 64.21 C ATOM 996 O GLN A 59 8.216 -13.308 3.636 1.00 44.31 O ATOM 997 CB GLN A 59 10.752 -12.930 1.795 1.00 30.41 C ATOM 998 CG GLN A 59 12.098 -13.626 1.588 1.00 65.32 C ATOM 999 CD GLN A 59 13.223 -12.866 2.295 1.00 74.31 C ATOM 1000 OE1 GLN A 59 14.053 -12.219 1.678 1.00 74.53 O ATOM 1001 NE2 GLN A 59 13.203 -12.980 3.620 1.00 1.14 N ATOM 0 H GLN A 59 9.328 -13.664 -0.275 1.00 64.11 H new ATOM 0 HA GLN A 59 9.916 -14.800 2.382 1.00 61.51 H new ATOM 0 HB2 GLN A 59 10.596 -12.191 1.009 1.00 30.41 H new ATOM 0 HB3 GLN A 59 10.759 -12.392 2.743 1.00 30.41 H new ATOM 0 HG2 GLN A 59 12.047 -14.645 1.970 1.00 65.32 H new ATOM 0 HG3 GLN A 59 12.315 -13.696 0.522 1.00 65.32 H new ATOM 0 HE21 GLN A 59 12.479 -13.538 4.073 1.00 1.14 H new ATOM 0 HE22 GLN A 59 13.912 -12.510 4.183 1.00 1.14 H new ATOM 1010 N PHE A 60 7.442 -12.904 1.549 1.00 0.21 N ATOM 1011 CA PHE A 60 6.195 -12.314 2.007 1.00 52.15 C ATOM 1012 C PHE A 60 5.210 -13.396 2.454 1.00 43.15 C ATOM 1013 O PHE A 60 4.693 -13.346 3.571 1.00 50.40 O ATOM 1014 CB PHE A 60 5.597 -11.558 0.819 1.00 50.40 C ATOM 1015 CG PHE A 60 4.385 -10.696 1.177 1.00 73.03 C ATOM 1016 CD1 PHE A 60 4.437 -9.862 2.252 1.00 51.21 C ATOM 1017 CD2 PHE A 60 3.256 -10.762 0.423 1.00 61.34 C ATOM 1018 CE1 PHE A 60 3.312 -9.062 2.585 1.00 1.22 C ATOM 1019 CE2 PHE A 60 2.131 -9.961 0.756 1.00 62.21 C ATOM 1020 CZ PHE A 60 2.182 -9.129 1.829 1.00 23.01 C ATOM 0 H PHE A 60 7.551 -12.939 0.535 1.00 0.21 H new ATOM 0 HA PHE A 60 6.383 -11.657 2.856 1.00 52.15 H new ATOM 0 HB2 PHE A 60 6.366 -10.921 0.382 1.00 50.40 H new ATOM 0 HB3 PHE A 60 5.305 -12.277 0.053 1.00 50.40 H new ATOM 0 HD1 PHE A 60 5.334 -9.809 2.851 1.00 51.21 H new ATOM 0 HD2 PHE A 60 3.214 -11.424 -0.430 1.00 61.34 H new ATOM 0 HE1 PHE A 60 3.353 -8.401 3.438 1.00 1.22 H new ATOM 0 HE2 PHE A 60 1.235 -10.013 0.156 1.00 62.21 H new ATOM 0 HZ PHE A 60 1.326 -8.521 2.082 1.00 23.01 H new ATOM 1030 N VAL A 61 4.977 -14.348 1.563 1.00 32.35 N ATOM 1031 CA VAL A 61 4.063 -15.439 1.853 1.00 5.44 C ATOM 1032 C VAL A 61 4.242 -15.876 3.309 1.00 71.34 C ATOM 1033 O VAL A 61 3.275 -16.236 3.976 1.00 5.54 O ATOM 1034 CB VAL A 61 4.278 -16.580 0.856 1.00 43.14 C ATOM 1035 CG1 VAL A 61 3.286 -17.719 1.104 1.00 42.22 C ATOM 1036 CG2 VAL A 61 4.181 -16.074 -0.586 1.00 73.01 C ATOM 0 H VAL A 61 5.406 -14.386 0.638 1.00 32.35 H new ATOM 0 HA VAL A 61 3.030 -15.113 1.736 1.00 5.44 H new ATOM 0 HB VAL A 61 5.284 -16.972 1.007 1.00 43.14 H new ATOM 0 HG11 VAL A 61 3.460 -18.517 0.382 1.00 42.22 H new ATOM 0 HG12 VAL A 61 3.422 -18.107 2.114 1.00 42.22 H new ATOM 0 HG13 VAL A 61 2.268 -17.345 0.993 1.00 42.22 H new ATOM 0 HG21 VAL A 61 4.338 -16.905 -1.274 1.00 73.01 H new ATOM 0 HG22 VAL A 61 3.194 -15.644 -0.755 1.00 73.01 H new ATOM 0 HG23 VAL A 61 4.942 -15.313 -0.757 1.00 73.01 H new ATOM 1046 N TYR A 62 5.488 -15.827 3.758 1.00 14.20 N ATOM 1047 CA TYR A 62 5.805 -16.214 5.122 1.00 74.54 C ATOM 1048 C TYR A 62 5.023 -15.368 6.128 1.00 34.14 C ATOM 1049 O TYR A 62 4.162 -15.884 6.842 1.00 35.32 O ATOM 1050 CB TYR A 62 7.301 -15.942 5.300 1.00 44.14 C ATOM 1051 CG TYR A 62 7.681 -15.438 6.693 1.00 45.10 C ATOM 1052 CD1 TYR A 62 7.429 -16.221 7.802 1.00 62.34 C ATOM 1053 CD2 TYR A 62 8.275 -14.201 6.842 1.00 22.21 C ATOM 1054 CE1 TYR A 62 7.786 -15.747 9.115 1.00 24.35 C ATOM 1055 CE2 TYR A 62 8.631 -13.727 8.155 1.00 24.10 C ATOM 1056 CZ TYR A 62 8.370 -14.523 9.226 1.00 2.21 C ATOM 1057 OH TYR A 62 8.707 -14.076 10.465 1.00 63.13 O ATOM 0 H TYR A 62 6.288 -15.526 3.202 1.00 14.20 H new ATOM 0 HA TYR A 62 5.546 -17.258 5.295 1.00 74.54 H new ATOM 0 HB2 TYR A 62 7.853 -16.859 5.093 1.00 44.14 H new ATOM 0 HB3 TYR A 62 7.616 -15.206 4.560 1.00 44.14 H new ATOM 0 HD1 TYR A 62 6.964 -17.189 7.685 1.00 62.34 H new ATOM 0 HD2 TYR A 62 8.473 -13.589 5.975 1.00 22.21 H new ATOM 0 HE1 TYR A 62 7.595 -16.349 9.991 1.00 24.35 H new ATOM 0 HE2 TYR A 62 9.095 -12.761 8.286 1.00 24.10 H new ATOM 0 HH TYR A 62 9.116 -13.188 10.392 1.00 63.13 H new ATOM 1067 N VAL A 63 5.347 -14.084 6.154 1.00 52.24 N ATOM 1068 CA VAL A 63 4.686 -13.162 7.061 1.00 35.03 C ATOM 1069 C VAL A 63 3.180 -13.431 7.044 1.00 4.02 C ATOM 1070 O VAL A 63 2.504 -13.267 8.060 1.00 23.34 O ATOM 1071 CB VAL A 63 5.039 -11.721 6.691 1.00 11.21 C ATOM 1072 CG1 VAL A 63 4.209 -10.726 7.507 1.00 65.32 C ATOM 1073 CG2 VAL A 63 6.537 -11.460 6.869 1.00 44.31 C ATOM 0 H VAL A 63 6.060 -13.660 5.560 1.00 52.24 H new ATOM 0 HA VAL A 63 5.033 -13.315 8.083 1.00 35.03 H new ATOM 0 HB VAL A 63 4.796 -11.577 5.638 1.00 11.21 H new ATOM 0 HG11 VAL A 63 4.480 -9.709 7.224 1.00 65.32 H new ATOM 0 HG12 VAL A 63 3.149 -10.888 7.309 1.00 65.32 H new ATOM 0 HG13 VAL A 63 4.406 -10.872 8.569 1.00 65.32 H new ATOM 0 HG21 VAL A 63 6.761 -10.428 6.599 1.00 44.31 H new ATOM 0 HG22 VAL A 63 6.815 -11.632 7.909 1.00 44.31 H new ATOM 0 HG23 VAL A 63 7.103 -12.134 6.226 1.00 44.31 H new ATOM 1083 N ILE A 64 2.696 -13.842 5.881 1.00 25.51 N ATOM 1084 CA ILE A 64 1.283 -14.136 5.719 1.00 30.30 C ATOM 1085 C ILE A 64 0.934 -15.397 6.510 1.00 3.31 C ATOM 1086 O ILE A 64 0.171 -15.339 7.473 1.00 53.34 O ATOM 1087 CB ILE A 64 0.919 -14.220 4.235 1.00 74.05 C ATOM 1088 CG1 ILE A 64 1.458 -13.010 3.469 1.00 52.44 C ATOM 1089 CG2 ILE A 64 -0.589 -14.391 4.049 1.00 22.42 C ATOM 1090 CD1 ILE A 64 0.831 -11.712 3.982 1.00 35.01 C ATOM 0 H ILE A 64 3.258 -13.978 5.041 1.00 25.51 H new ATOM 0 HA ILE A 64 0.677 -13.327 6.126 1.00 30.30 H new ATOM 0 HB ILE A 64 1.397 -15.105 3.816 1.00 74.05 H new ATOM 0 HG12 ILE A 64 2.542 -12.961 3.575 1.00 52.44 H new ATOM 0 HG13 ILE A 64 1.247 -13.125 2.406 1.00 52.44 H new ATOM 0 HG21 ILE A 64 -0.820 -14.448 2.985 1.00 22.42 H new ATOM 0 HG22 ILE A 64 -0.915 -15.308 4.541 1.00 22.42 H new ATOM 0 HG23 ILE A 64 -1.109 -13.539 4.488 1.00 22.42 H new ATOM 0 HD11 ILE A 64 1.231 -10.868 3.421 1.00 35.01 H new ATOM 0 HD12 ILE A 64 -0.250 -11.754 3.852 1.00 35.01 H new ATOM 0 HD13 ILE A 64 1.065 -11.588 5.039 1.00 35.01 H new ATOM 1102 N ARG A 65 1.511 -16.509 6.076 1.00 63.25 N ATOM 1103 CA ARG A 65 1.272 -17.783 6.732 1.00 61.31 C ATOM 1104 C ARG A 65 1.354 -17.621 8.251 1.00 12.01 C ATOM 1105 O ARG A 65 0.748 -18.392 8.994 1.00 41.52 O ATOM 1106 CB ARG A 65 2.288 -18.833 6.281 1.00 31.34 C ATOM 1107 CG ARG A 65 1.681 -20.236 6.322 1.00 61.42 C ATOM 1108 CD ARG A 65 1.050 -20.601 4.977 1.00 12.15 C ATOM 1109 NE ARG A 65 2.001 -20.320 3.879 1.00 42.22 N ATOM 1110 CZ ARG A 65 2.907 -21.208 3.418 1.00 13.14 C ATOM 1111 NH1 ARG A 65 2.994 -22.442 3.959 1.00 33.44 N ATOM 1112 NH2 ARG A 65 3.709 -20.852 2.433 1.00 34.13 N ATOM 0 H ARG A 65 2.144 -16.553 5.277 1.00 63.25 H new ATOM 0 HA ARG A 65 0.273 -18.118 6.453 1.00 61.31 H new ATOM 0 HB2 ARG A 65 2.624 -18.608 5.269 1.00 31.34 H new ATOM 0 HB3 ARG A 65 3.167 -18.794 6.925 1.00 31.34 H new ATOM 0 HG2 ARG A 65 2.453 -20.963 6.574 1.00 61.42 H new ATOM 0 HG3 ARG A 65 0.927 -20.287 7.107 1.00 61.42 H new ATOM 0 HD2 ARG A 65 0.774 -21.656 4.970 1.00 12.15 H new ATOM 0 HD3 ARG A 65 0.133 -20.031 4.830 1.00 12.15 H new ATOM 0 HE ARG A 65 1.970 -19.398 3.443 1.00 42.22 H new ATOM 0 HH11 ARG A 65 2.372 -22.709 4.722 1.00 33.44 H new ATOM 0 HH12 ARG A 65 3.682 -23.107 3.605 1.00 33.44 H new ATOM 0 HH21 ARG A 65 3.639 -19.917 2.031 1.00 34.13 H new ATOM 0 HH22 ARG A 65 4.399 -21.512 2.073 1.00 34.13 H new ATOM 1126 N LYS A 66 2.107 -16.614 8.668 1.00 55.44 N ATOM 1127 CA LYS A 66 2.277 -16.342 10.084 1.00 1.33 C ATOM 1128 C LYS A 66 0.975 -15.768 10.647 1.00 70.51 C ATOM 1129 O LYS A 66 0.525 -16.174 11.718 1.00 24.42 O ATOM 1130 CB LYS A 66 3.496 -15.447 10.317 1.00 12.24 C ATOM 1131 CG LYS A 66 4.758 -16.284 10.527 1.00 14.13 C ATOM 1132 CD LYS A 66 4.889 -17.361 9.448 1.00 31.51 C ATOM 1133 CE LYS A 66 5.940 -18.402 9.837 1.00 71.45 C ATOM 1134 NZ LYS A 66 5.295 -19.611 10.395 1.00 62.23 N ATOM 0 H LYS A 66 2.607 -15.976 8.049 1.00 55.44 H new ATOM 0 HA LYS A 66 2.481 -17.265 10.627 1.00 1.33 H new ATOM 0 HB2 LYS A 66 3.633 -14.784 9.463 1.00 12.24 H new ATOM 0 HB3 LYS A 66 3.326 -14.814 11.188 1.00 12.24 H new ATOM 0 HG2 LYS A 66 5.635 -15.637 10.508 1.00 14.13 H new ATOM 0 HG3 LYS A 66 4.728 -16.752 11.511 1.00 14.13 H new ATOM 0 HD2 LYS A 66 3.926 -17.850 9.298 1.00 31.51 H new ATOM 0 HD3 LYS A 66 5.163 -16.899 8.500 1.00 31.51 H new ATOM 0 HE2 LYS A 66 6.534 -18.671 8.963 1.00 71.45 H new ATOM 0 HE3 LYS A 66 6.626 -17.978 10.571 1.00 71.45 H new ATOM 0 HZ1 LYS A 66 6.024 -20.306 10.653 1.00 62.23 H new ATOM 0 HZ2 LYS A 66 4.748 -19.353 11.241 1.00 62.23 H new ATOM 0 HZ3 LYS A 66 4.659 -20.025 9.684 1.00 62.23 H new ATOM 1148 N ARG A 67 0.408 -14.831 9.901 1.00 1.25 N ATOM 1149 CA ARG A 67 -0.833 -14.197 10.313 1.00 11.04 C ATOM 1150 C ARG A 67 -1.929 -15.248 10.502 1.00 10.11 C ATOM 1151 O ARG A 67 -2.723 -15.160 11.438 1.00 74.15 O ATOM 1152 CB ARG A 67 -1.294 -13.167 9.280 1.00 53.20 C ATOM 1153 CG ARG A 67 -0.942 -11.747 9.725 1.00 23.03 C ATOM 1154 CD ARG A 67 -2.121 -11.091 10.448 1.00 34.01 C ATOM 1155 NE ARG A 67 -1.946 -11.206 11.913 1.00 70.52 N ATOM 1156 CZ ARG A 67 -1.069 -10.473 12.630 1.00 73.13 C ATOM 1157 NH1 ARG A 67 -0.276 -9.564 12.022 1.00 21.20 N ATOM 1158 NH2 ARG A 67 -0.996 -10.660 13.935 1.00 2.44 N ATOM 0 H ARG A 67 0.785 -14.496 9.014 1.00 1.25 H new ATOM 0 HA ARG A 67 -0.648 -13.688 11.259 1.00 11.04 H new ATOM 0 HB2 ARG A 67 -0.826 -13.377 8.318 1.00 53.20 H new ATOM 0 HB3 ARG A 67 -2.371 -13.250 9.135 1.00 53.20 H new ATOM 0 HG2 ARG A 67 -0.075 -11.773 10.385 1.00 23.03 H new ATOM 0 HG3 ARG A 67 -0.664 -11.148 8.857 1.00 23.03 H new ATOM 0 HD2 ARG A 67 -2.194 -10.041 10.164 1.00 34.01 H new ATOM 0 HD3 ARG A 67 -3.054 -11.568 10.147 1.00 34.01 H new ATOM 0 HE ARG A 67 -2.525 -11.882 12.412 1.00 70.52 H new ATOM 0 HH11 ARG A 67 -0.337 -9.427 11.013 1.00 21.20 H new ATOM 0 HH12 ARG A 67 0.384 -9.014 12.572 1.00 21.20 H new ATOM 0 HH21 ARG A 67 -1.597 -11.350 14.386 1.00 2.44 H new ATOM 0 HH22 ARG A 67 -0.339 -10.115 14.492 1.00 2.44 H new ATOM 1172 N ILE A 68 -1.938 -16.216 9.599 1.00 74.21 N ATOM 1173 CA ILE A 68 -2.923 -17.282 9.653 1.00 51.02 C ATOM 1174 C ILE A 68 -2.281 -18.535 10.251 1.00 1.12 C ATOM 1175 O ILE A 68 -2.898 -19.599 10.280 1.00 65.40 O ATOM 1176 CB ILE A 68 -3.546 -17.508 8.273 1.00 43.40 C ATOM 1177 CG1 ILE A 68 -2.501 -17.345 7.168 1.00 54.02 C ATOM 1178 CG2 ILE A 68 -4.755 -16.594 8.061 1.00 43.10 C ATOM 1179 CD1 ILE A 68 -3.061 -17.792 5.815 1.00 64.50 C ATOM 0 H ILE A 68 -1.278 -16.285 8.824 1.00 74.21 H new ATOM 0 HA ILE A 68 -3.749 -17.004 10.308 1.00 51.02 H new ATOM 0 HB ILE A 68 -3.908 -18.535 8.224 1.00 43.40 H new ATOM 0 HG12 ILE A 68 -2.187 -16.303 7.110 1.00 54.02 H new ATOM 0 HG13 ILE A 68 -1.615 -17.931 7.411 1.00 54.02 H new ATOM 0 HG21 ILE A 68 -5.179 -16.775 7.073 1.00 43.10 H new ATOM 0 HG22 ILE A 68 -5.507 -16.803 8.822 1.00 43.10 H new ATOM 0 HG23 ILE A 68 -4.442 -15.553 8.137 1.00 43.10 H new ATOM 0 HD11 ILE A 68 -2.299 -17.666 5.046 1.00 64.50 H new ATOM 0 HD12 ILE A 68 -3.351 -18.841 5.870 1.00 64.50 H new ATOM 0 HD13 ILE A 68 -3.932 -17.187 5.564 1.00 64.50 H new ATOM 1191 N MET A 69 -1.052 -18.367 10.712 1.00 12.12 N ATOM 1192 CA MET A 69 -0.317 -19.471 11.308 1.00 64.34 C ATOM 1193 C MET A 69 -0.671 -20.795 10.627 1.00 52.33 C ATOM 1194 O MET A 69 -0.740 -21.835 11.280 1.00 32.01 O ATOM 1195 CB MET A 69 -0.649 -19.559 12.799 1.00 12.53 C ATOM 1196 CG MET A 69 -2.115 -19.944 13.013 1.00 10.21 C ATOM 1197 SD MET A 69 -3.122 -18.476 13.125 1.00 12.40 S ATOM 1198 CE MET A 69 -3.153 -18.256 14.896 1.00 45.12 C ATOM 0 H MET A 69 -0.545 -17.482 10.685 1.00 12.12 H new ATOM 0 HA MET A 69 0.749 -19.288 11.174 1.00 64.34 H new ATOM 0 HB2 MET A 69 -0.003 -20.295 13.276 1.00 12.53 H new ATOM 0 HB3 MET A 69 -0.448 -18.600 13.277 1.00 12.53 H new ATOM 0 HG2 MET A 69 -2.459 -20.569 12.189 1.00 10.21 H new ATOM 0 HG3 MET A 69 -2.215 -20.534 13.924 1.00 10.21 H new ATOM 0 HE1 MET A 69 -3.745 -17.375 15.143 1.00 45.12 H new ATOM 0 HE2 MET A 69 -3.597 -19.134 15.364 1.00 45.12 H new ATOM 0 HE3 MET A 69 -2.136 -18.124 15.264 1.00 45.12 H new ATOM 1208 N LEU A 70 -0.886 -20.713 9.322 1.00 62.43 N ATOM 1209 CA LEU A 70 -1.232 -21.892 8.546 1.00 10.14 C ATOM 1210 C LEU A 70 -0.225 -23.006 8.842 1.00 2.25 C ATOM 1211 O LEU A 70 0.970 -22.747 8.976 1.00 31.43 O ATOM 1212 CB LEU A 70 -1.341 -21.540 7.060 1.00 61.22 C ATOM 1213 CG LEU A 70 -2.477 -22.219 6.292 1.00 11.33 C ATOM 1214 CD1 LEU A 70 -3.790 -22.142 7.076 1.00 30.12 C ATOM 1215 CD2 LEU A 70 -2.615 -21.633 4.886 1.00 2.24 C ATOM 0 H LEU A 70 -0.827 -19.849 8.783 1.00 62.43 H new ATOM 0 HA LEU A 70 -2.214 -22.265 8.836 1.00 10.14 H new ATOM 0 HB2 LEU A 70 -1.463 -20.461 6.971 1.00 61.22 H new ATOM 0 HB3 LEU A 70 -0.398 -21.796 6.576 1.00 61.22 H new ATOM 0 HG LEU A 70 -2.230 -23.275 6.178 1.00 11.33 H new ATOM 0 HD11 LEU A 70 -4.582 -22.632 6.509 1.00 30.12 H new ATOM 0 HD12 LEU A 70 -3.670 -22.642 8.037 1.00 30.12 H new ATOM 0 HD13 LEU A 70 -4.055 -21.098 7.241 1.00 30.12 H new ATOM 0 HD21 LEU A 70 -3.429 -22.133 4.362 1.00 2.24 H new ATOM 0 HD22 LEU A 70 -2.829 -20.567 4.956 1.00 2.24 H new ATOM 0 HD23 LEU A 70 -1.685 -21.781 4.337 1.00 2.24 H new ATOM 1227 N PRO A 71 -0.759 -24.252 8.937 1.00 43.24 N ATOM 1228 CA PRO A 71 0.079 -25.406 9.215 1.00 13.55 C ATOM 1229 C PRO A 71 0.885 -25.808 7.978 1.00 75.31 C ATOM 1230 O PRO A 71 0.617 -25.334 6.877 1.00 21.12 O ATOM 1231 CB PRO A 71 -0.884 -26.488 9.675 1.00 61.24 C ATOM 1232 CG PRO A 71 -2.260 -26.055 9.197 1.00 24.13 C ATOM 1233 CD PRO A 71 -2.170 -24.595 8.783 1.00 33.31 C ATOM 0 HA PRO A 71 0.830 -25.208 9.980 1.00 13.55 H new ATOM 0 HB2 PRO A 71 -0.612 -27.456 9.255 1.00 61.24 H new ATOM 0 HB3 PRO A 71 -0.863 -26.594 10.760 1.00 61.24 H new ATOM 0 HG2 PRO A 71 -2.584 -26.671 8.358 1.00 24.13 H new ATOM 0 HG3 PRO A 71 -2.997 -26.183 9.990 1.00 24.13 H new ATOM 0 HD2 PRO A 71 -2.502 -24.454 7.754 1.00 33.31 H new ATOM 0 HD3 PRO A 71 -2.801 -23.966 9.411 1.00 33.31 H new ATOM 1241 N PRO A 72 1.883 -26.703 8.210 1.00 11.43 N ATOM 1242 CA PRO A 72 2.731 -27.174 7.129 1.00 73.31 C ATOM 1243 C PRO A 72 1.987 -28.180 6.248 1.00 14.34 C ATOM 1244 O PRO A 72 2.546 -28.701 5.284 1.00 14.13 O ATOM 1245 CB PRO A 72 3.949 -27.773 7.815 1.00 1.11 C ATOM 1246 CG PRO A 72 3.530 -28.034 9.253 1.00 12.50 C ATOM 1247 CD PRO A 72 2.231 -27.286 9.503 1.00 2.00 C ATOM 0 HA PRO A 72 3.027 -26.376 6.448 1.00 73.31 H new ATOM 0 HB2 PRO A 72 4.259 -28.696 7.325 1.00 1.11 H new ATOM 0 HB3 PRO A 72 4.797 -27.089 7.773 1.00 1.11 H new ATOM 0 HG2 PRO A 72 3.394 -29.102 9.423 1.00 12.50 H new ATOM 0 HG3 PRO A 72 4.303 -27.697 9.943 1.00 12.50 H new ATOM 0 HD2 PRO A 72 1.449 -27.958 9.858 1.00 2.00 H new ATOM 0 HD3 PRO A 72 2.358 -26.515 10.263 1.00 2.00 H new ATOM 1255 N GLU A 73 0.736 -28.424 6.610 1.00 4.32 N ATOM 1256 CA GLU A 73 -0.091 -29.358 5.866 1.00 33.04 C ATOM 1257 C GLU A 73 -0.985 -28.604 4.879 1.00 15.04 C ATOM 1258 O GLU A 73 -1.832 -29.206 4.219 1.00 75.11 O ATOM 1259 CB GLU A 73 -0.925 -30.225 6.810 1.00 51.24 C ATOM 1260 CG GLU A 73 -2.094 -29.431 7.395 1.00 33.54 C ATOM 1261 CD GLU A 73 -2.628 -30.097 8.665 1.00 53.33 C ATOM 1262 OE1 GLU A 73 -3.560 -30.911 8.592 1.00 25.23 O ATOM 1263 OE2 GLU A 73 -2.040 -29.743 9.757 1.00 11.00 O ATOM 0 H GLU A 73 0.275 -27.990 7.410 1.00 4.32 H new ATOM 0 HA GLU A 73 0.563 -30.022 5.300 1.00 33.04 H new ATOM 0 HB2 GLU A 73 -1.304 -31.094 6.272 1.00 51.24 H new ATOM 0 HB3 GLU A 73 -0.295 -30.600 7.617 1.00 51.24 H new ATOM 0 HG2 GLU A 73 -1.771 -28.415 7.621 1.00 33.54 H new ATOM 0 HG3 GLU A 73 -2.892 -29.355 6.657 1.00 33.54 H new ATOM 1271 N LYS A 74 -0.767 -27.300 4.809 1.00 15.22 N ATOM 1272 CA LYS A 74 -1.543 -26.458 3.913 1.00 74.24 C ATOM 1273 C LYS A 74 -0.594 -25.695 2.988 1.00 4.24 C ATOM 1274 O LYS A 74 0.621 -25.862 3.066 1.00 22.52 O ATOM 1275 CB LYS A 74 -2.485 -25.554 4.710 1.00 43.43 C ATOM 1276 CG LYS A 74 -3.731 -26.320 5.160 1.00 13.23 C ATOM 1277 CD LYS A 74 -4.975 -25.826 4.420 1.00 31.31 C ATOM 1278 CE LYS A 74 -4.983 -26.318 2.972 1.00 43.12 C ATOM 1279 NZ LYS A 74 -6.336 -26.180 2.385 1.00 72.20 N ATOM 0 H LYS A 74 -0.064 -26.805 5.358 1.00 15.22 H new ATOM 0 HA LYS A 74 -2.186 -27.068 3.278 1.00 74.24 H new ATOM 0 HB2 LYS A 74 -1.963 -25.157 5.581 1.00 43.43 H new ATOM 0 HB3 LYS A 74 -2.779 -24.701 4.099 1.00 43.43 H new ATOM 0 HG2 LYS A 74 -3.593 -27.386 4.976 1.00 13.23 H new ATOM 0 HG3 LYS A 74 -3.870 -26.197 6.234 1.00 13.23 H new ATOM 0 HD2 LYS A 74 -5.871 -26.177 4.932 1.00 31.31 H new ATOM 0 HD3 LYS A 74 -5.004 -24.737 4.438 1.00 31.31 H new ATOM 0 HE2 LYS A 74 -4.265 -25.747 2.384 1.00 43.12 H new ATOM 0 HE3 LYS A 74 -4.668 -27.361 2.934 1.00 43.12 H new ATOM 0 HZ1 LYS A 74 -6.324 -26.518 1.402 1.00 72.20 H new ATOM 0 HZ2 LYS A 74 -7.013 -26.744 2.937 1.00 72.20 H new ATOM 0 HZ3 LYS A 74 -6.622 -25.180 2.404 1.00 72.20 H new ATOM 1293 N ALA A 75 -1.186 -24.873 2.133 1.00 2.43 N ATOM 1294 CA ALA A 75 -0.408 -24.084 1.194 1.00 13.52 C ATOM 1295 C ALA A 75 -1.017 -22.685 1.083 1.00 54.01 C ATOM 1296 O ALA A 75 -2.094 -22.430 1.620 1.00 43.42 O ATOM 1297 CB ALA A 75 -0.352 -24.804 -0.155 1.00 3.35 C ATOM 0 H ALA A 75 -2.195 -24.737 2.071 1.00 2.43 H new ATOM 0 HA ALA A 75 0.617 -23.970 1.546 1.00 13.52 H new ATOM 0 HB1 ALA A 75 0.232 -24.212 -0.860 1.00 3.35 H new ATOM 0 HB2 ALA A 75 0.115 -25.780 -0.027 1.00 3.35 H new ATOM 0 HB3 ALA A 75 -1.363 -24.933 -0.541 1.00 3.35 H new ATOM 1303 N ILE A 76 -0.302 -21.816 0.384 1.00 45.33 N ATOM 1304 CA ILE A 76 -0.759 -20.450 0.196 1.00 65.33 C ATOM 1305 C ILE A 76 0.012 -19.813 -0.962 1.00 4.31 C ATOM 1306 O ILE A 76 1.223 -19.615 -0.872 1.00 22.55 O ATOM 1307 CB ILE A 76 -0.658 -19.666 1.507 1.00 71.13 C ATOM 1308 CG1 ILE A 76 -1.882 -18.771 1.705 1.00 33.21 C ATOM 1309 CG2 ILE A 76 0.649 -18.873 1.572 1.00 65.54 C ATOM 1310 CD1 ILE A 76 -1.721 -17.887 2.944 1.00 43.42 C ATOM 0 H ILE A 76 0.591 -22.032 -0.059 1.00 45.33 H new ATOM 0 HA ILE A 76 -1.814 -20.436 -0.077 1.00 65.33 H new ATOM 0 HB ILE A 76 -0.643 -20.379 2.332 1.00 71.13 H new ATOM 0 HG12 ILE A 76 -2.026 -18.146 0.824 1.00 33.21 H new ATOM 0 HG13 ILE A 76 -2.775 -19.388 1.807 1.00 33.21 H new ATOM 0 HG21 ILE A 76 0.696 -18.325 2.513 1.00 65.54 H new ATOM 0 HG22 ILE A 76 1.494 -19.559 1.509 1.00 65.54 H new ATOM 0 HG23 ILE A 76 0.690 -18.170 0.740 1.00 65.54 H new ATOM 0 HD11 ILE A 76 -2.605 -17.261 3.061 1.00 43.42 H new ATOM 0 HD12 ILE A 76 -1.602 -18.516 3.826 1.00 43.42 H new ATOM 0 HD13 ILE A 76 -0.841 -17.254 2.828 1.00 43.42 H new ATOM 1322 N PHE A 77 -0.720 -19.511 -2.023 1.00 12.42 N ATOM 1323 CA PHE A 77 -0.121 -18.901 -3.198 1.00 62.30 C ATOM 1324 C PHE A 77 -0.580 -17.450 -3.359 1.00 33.33 C ATOM 1325 O PHE A 77 -1.757 -17.145 -3.175 1.00 33.52 O ATOM 1326 CB PHE A 77 -0.589 -19.709 -4.409 1.00 40.44 C ATOM 1327 CG PHE A 77 -0.255 -21.199 -4.331 1.00 70.23 C ATOM 1328 CD1 PHE A 77 -1.075 -22.044 -3.649 1.00 4.54 C ATOM 1329 CD2 PHE A 77 0.861 -21.680 -4.940 1.00 44.34 C ATOM 1330 CE1 PHE A 77 -0.767 -23.428 -3.574 1.00 1.33 C ATOM 1331 CE2 PHE A 77 1.170 -23.064 -4.865 1.00 41.05 C ATOM 1332 CZ PHE A 77 0.350 -23.908 -4.185 1.00 35.23 C ATOM 0 H PHE A 77 -1.724 -19.677 -2.094 1.00 12.42 H new ATOM 0 HA PHE A 77 0.965 -18.901 -3.104 1.00 62.30 H new ATOM 0 HB2 PHE A 77 -1.668 -19.594 -4.514 1.00 40.44 H new ATOM 0 HB3 PHE A 77 -0.135 -19.292 -5.308 1.00 40.44 H new ATOM 0 HD1 PHE A 77 -1.961 -21.662 -3.164 1.00 4.54 H new ATOM 0 HD2 PHE A 77 1.513 -21.010 -5.481 1.00 44.34 H new ATOM 0 HE1 PHE A 77 -1.418 -24.099 -3.033 1.00 1.33 H new ATOM 0 HE2 PHE A 77 2.057 -23.446 -5.349 1.00 41.05 H new ATOM 0 HZ PHE A 77 0.585 -24.961 -4.130 1.00 35.23 H new ATOM 1342 N ILE A 78 0.372 -16.594 -3.699 1.00 3.55 N ATOM 1343 CA ILE A 78 0.079 -15.184 -3.885 1.00 70.04 C ATOM 1344 C ILE A 78 -0.433 -14.957 -5.309 1.00 63.43 C ATOM 1345 O ILE A 78 0.162 -15.444 -6.270 1.00 62.34 O ATOM 1346 CB ILE A 78 1.299 -14.332 -3.528 1.00 15.11 C ATOM 1347 CG1 ILE A 78 1.782 -14.635 -2.108 1.00 31.40 C ATOM 1348 CG2 ILE A 78 1.006 -12.843 -3.728 1.00 23.31 C ATOM 1349 CD1 ILE A 78 0.932 -13.899 -1.071 1.00 44.32 C ATOM 0 H ILE A 78 1.348 -16.850 -3.851 1.00 3.55 H new ATOM 0 HA ILE A 78 -0.713 -14.867 -3.206 1.00 70.04 H new ATOM 0 HB ILE A 78 2.110 -14.595 -4.208 1.00 15.11 H new ATOM 0 HG12 ILE A 78 1.736 -15.709 -1.926 1.00 31.40 H new ATOM 0 HG13 ILE A 78 2.826 -14.339 -2.004 1.00 31.40 H new ATOM 0 HG21 ILE A 78 1.889 -12.260 -3.467 1.00 23.31 H new ATOM 0 HG22 ILE A 78 0.745 -12.660 -4.771 1.00 23.31 H new ATOM 0 HG23 ILE A 78 0.174 -12.547 -3.089 1.00 23.31 H new ATOM 0 HD11 ILE A 78 1.296 -14.132 -0.070 1.00 44.32 H new ATOM 0 HD12 ILE A 78 1.000 -12.825 -1.241 1.00 44.32 H new ATOM 0 HD13 ILE A 78 -0.107 -14.216 -1.161 1.00 44.32 H new ATOM 1361 N PHE A 79 -1.528 -14.220 -5.400 1.00 54.23 N ATOM 1362 CA PHE A 79 -2.127 -13.923 -6.689 1.00 2.04 C ATOM 1363 C PHE A 79 -2.249 -12.412 -6.904 1.00 53.42 C ATOM 1364 O PHE A 79 -2.857 -11.714 -6.094 1.00 2.01 O ATOM 1365 CB PHE A 79 -3.528 -14.540 -6.686 1.00 31.10 C ATOM 1366 CG PHE A 79 -3.591 -15.944 -7.290 1.00 60.10 C ATOM 1367 CD1 PHE A 79 -3.338 -16.127 -8.613 1.00 2.43 C ATOM 1368 CD2 PHE A 79 -3.899 -17.009 -6.503 1.00 30.00 C ATOM 1369 CE1 PHE A 79 -3.396 -17.430 -9.173 1.00 63.12 C ATOM 1370 CE2 PHE A 79 -3.958 -18.313 -7.063 1.00 1.54 C ATOM 1371 CZ PHE A 79 -3.706 -18.496 -8.387 1.00 62.01 C ATOM 0 H PHE A 79 -2.018 -13.818 -4.600 1.00 54.23 H new ATOM 0 HA PHE A 79 -1.506 -14.328 -7.488 1.00 2.04 H new ATOM 0 HB2 PHE A 79 -3.894 -14.580 -5.660 1.00 31.10 H new ATOM 0 HB3 PHE A 79 -4.203 -13.887 -7.240 1.00 31.10 H new ATOM 0 HD1 PHE A 79 -3.093 -15.281 -9.238 1.00 2.43 H new ATOM 0 HD2 PHE A 79 -4.099 -16.863 -5.452 1.00 30.00 H new ATOM 0 HE1 PHE A 79 -3.194 -17.575 -10.224 1.00 63.12 H new ATOM 0 HE2 PHE A 79 -4.203 -19.159 -6.438 1.00 1.54 H new ATOM 0 HZ PHE A 79 -3.752 -19.487 -8.814 1.00 62.01 H new ATOM 1381 N VAL A 80 -1.661 -11.953 -7.998 1.00 21.44 N ATOM 1382 CA VAL A 80 -1.695 -10.539 -8.329 1.00 62.12 C ATOM 1383 C VAL A 80 -2.221 -10.367 -9.755 1.00 53.14 C ATOM 1384 O VAL A 80 -1.521 -10.666 -10.721 1.00 72.31 O ATOM 1385 CB VAL A 80 -0.311 -9.919 -8.123 1.00 75.21 C ATOM 1386 CG1 VAL A 80 -0.414 -8.409 -7.906 1.00 74.51 C ATOM 1387 CG2 VAL A 80 0.424 -10.593 -6.964 1.00 72.24 C ATOM 0 H VAL A 80 -1.158 -12.536 -8.667 1.00 21.44 H new ATOM 0 HA VAL A 80 -2.376 -10.007 -7.664 1.00 62.12 H new ATOM 0 HB VAL A 80 0.271 -10.087 -9.030 1.00 75.21 H new ATOM 0 HG11 VAL A 80 0.583 -7.993 -7.762 1.00 74.51 H new ATOM 0 HG12 VAL A 80 -0.878 -7.947 -8.778 1.00 74.51 H new ATOM 0 HG13 VAL A 80 -1.021 -8.209 -7.023 1.00 74.51 H new ATOM 0 HG21 VAL A 80 1.405 -10.134 -6.839 1.00 72.24 H new ATOM 0 HG22 VAL A 80 -0.153 -10.472 -6.047 1.00 72.24 H new ATOM 0 HG23 VAL A 80 0.545 -11.655 -7.178 1.00 72.24 H new ATOM 1397 N ASN A 81 -3.452 -9.883 -9.843 1.00 42.00 N ATOM 1398 CA ASN A 81 -4.081 -9.667 -11.136 1.00 42.34 C ATOM 1399 C ASN A 81 -4.367 -11.019 -11.792 1.00 23.52 C ATOM 1400 O ASN A 81 -4.529 -11.101 -13.007 1.00 11.11 O ATOM 1401 CB ASN A 81 -3.163 -8.874 -12.069 1.00 33.42 C ATOM 1402 CG ASN A 81 -2.368 -7.822 -11.292 1.00 32.13 C ATOM 1403 OD1 ASN A 81 -1.114 -8.180 -11.027 1.00 74.42 O flip ATOM 1404 ND2 ASN A 81 -2.859 -6.758 -10.956 1.00 23.44 N flip ATOM 0 H ASN A 81 -4.030 -9.634 -9.040 1.00 42.00 H new ATOM 0 HA ASN A 81 -5.002 -9.107 -10.973 1.00 42.34 H new ATOM 0 HB2 ASN A 81 -2.477 -9.554 -12.574 1.00 33.42 H new ATOM 0 HB3 ASN A 81 -3.757 -8.388 -12.843 1.00 33.42 H new ATOM 0 HD21 ASN A 81 -3.829 -6.547 -11.192 1.00 23.44 H new ATOM 0 HD22 ASN A 81 -2.300 -6.079 -10.439 1.00 23.44 H new ATOM 1411 N ASP A 82 -4.420 -12.046 -10.957 1.00 73.32 N ATOM 1412 CA ASP A 82 -4.684 -13.391 -11.440 1.00 23.32 C ATOM 1413 C ASP A 82 -3.385 -14.002 -11.968 1.00 11.03 C ATOM 1414 O ASP A 82 -3.414 -14.906 -12.802 1.00 50.53 O ATOM 1415 CB ASP A 82 -5.699 -13.375 -12.584 1.00 70.50 C ATOM 1416 CG ASP A 82 -6.813 -12.335 -12.447 1.00 21.54 C ATOM 1417 OD1 ASP A 82 -7.131 -11.611 -13.401 1.00 75.13 O ATOM 1418 OD2 ASP A 82 -7.371 -12.285 -11.285 1.00 63.05 O ATOM 0 H ASP A 82 -4.285 -11.974 -9.949 1.00 73.32 H new ATOM 0 HA ASP A 82 -5.084 -13.975 -10.611 1.00 23.32 H new ATOM 0 HB2 ASP A 82 -5.168 -13.195 -13.518 1.00 70.50 H new ATOM 0 HB3 ASP A 82 -6.153 -14.363 -12.661 1.00 70.50 H new ATOM 1424 N THR A 83 -2.275 -13.484 -11.463 1.00 42.44 N ATOM 1425 CA THR A 83 -0.968 -13.966 -11.874 1.00 61.11 C ATOM 1426 C THR A 83 -0.132 -14.350 -10.651 1.00 21.15 C ATOM 1427 O THR A 83 -0.199 -13.688 -9.617 1.00 74.25 O ATOM 1428 CB THR A 83 -0.316 -12.888 -12.741 1.00 23.31 C ATOM 1429 OG1 THR A 83 0.563 -13.613 -13.597 1.00 43.30 O ATOM 1430 CG2 THR A 83 0.614 -11.975 -11.939 1.00 30.14 C ATOM 0 H THR A 83 -2.254 -12.734 -10.772 1.00 42.44 H new ATOM 0 HA THR A 83 -1.052 -14.875 -12.470 1.00 61.11 H new ATOM 0 HB THR A 83 -1.092 -12.288 -13.218 1.00 23.31 H new ATOM 0 HG1 THR A 83 1.026 -12.989 -14.195 1.00 43.30 H new ATOM 0 HG21 THR A 83 1.051 -11.228 -12.602 1.00 30.14 H new ATOM 0 HG22 THR A 83 0.046 -11.476 -11.154 1.00 30.14 H new ATOM 0 HG23 THR A 83 1.409 -12.570 -11.489 1.00 30.14 H new ATOM 1438 N LEU A 84 0.635 -15.419 -10.810 1.00 12.33 N ATOM 1439 CA LEU A 84 1.481 -15.898 -9.731 1.00 64.22 C ATOM 1440 C LEU A 84 2.923 -15.451 -9.983 1.00 22.45 C ATOM 1441 O LEU A 84 3.590 -15.967 -10.879 1.00 1.12 O ATOM 1442 CB LEU A 84 1.329 -17.412 -9.563 1.00 62.51 C ATOM 1443 CG LEU A 84 0.418 -17.871 -8.423 1.00 1.30 C ATOM 1444 CD1 LEU A 84 -0.101 -19.288 -8.673 1.00 31.45 C ATOM 1445 CD2 LEU A 84 1.126 -17.751 -7.071 1.00 5.15 C ATOM 0 H LEU A 84 0.688 -15.966 -11.669 1.00 12.33 H new ATOM 0 HA LEU A 84 1.171 -15.461 -8.782 1.00 64.22 H new ATOM 0 HB2 LEU A 84 0.946 -17.825 -10.496 1.00 62.51 H new ATOM 0 HB3 LEU A 84 2.318 -17.842 -9.407 1.00 62.51 H new ATOM 0 HG LEU A 84 -0.448 -17.210 -8.392 1.00 1.30 H new ATOM 0 HD11 LEU A 84 -0.746 -19.590 -7.848 1.00 31.45 H new ATOM 0 HD12 LEU A 84 -0.668 -19.309 -9.604 1.00 31.45 H new ATOM 0 HD13 LEU A 84 0.741 -19.976 -8.746 1.00 31.45 H new ATOM 0 HD21 LEU A 84 0.456 -18.084 -6.278 1.00 5.15 H new ATOM 0 HD22 LEU A 84 2.022 -18.372 -7.073 1.00 5.15 H new ATOM 0 HD23 LEU A 84 1.405 -16.712 -6.897 1.00 5.15 H new ATOM 1457 N PRO A 85 3.372 -14.469 -9.156 1.00 73.14 N ATOM 1458 CA PRO A 85 4.722 -13.945 -9.279 1.00 54.01 C ATOM 1459 C PRO A 85 5.746 -14.935 -8.720 1.00 31.32 C ATOM 1460 O PRO A 85 5.417 -15.766 -7.876 1.00 23.50 O ATOM 1461 CB PRO A 85 4.701 -12.623 -8.529 1.00 13.52 C ATOM 1462 CG PRO A 85 3.481 -12.678 -7.623 1.00 42.32 C ATOM 1463 CD PRO A 85 2.610 -13.835 -8.084 1.00 13.01 C ATOM 0 HA PRO A 85 5.023 -13.793 -10.316 1.00 54.01 H new ATOM 0 HB2 PRO A 85 5.613 -12.489 -7.948 1.00 13.52 H new ATOM 0 HB3 PRO A 85 4.637 -11.783 -9.220 1.00 13.52 H new ATOM 0 HG2 PRO A 85 3.782 -12.817 -6.585 1.00 42.32 H new ATOM 0 HG3 PRO A 85 2.927 -11.740 -7.671 1.00 42.32 H new ATOM 0 HD2 PRO A 85 2.416 -14.533 -7.270 1.00 13.01 H new ATOM 0 HD3 PRO A 85 1.642 -13.484 -8.441 1.00 13.01 H new ATOM 1471 N PRO A 86 7.002 -14.808 -9.227 1.00 12.01 N ATOM 1472 CA PRO A 86 8.079 -15.680 -8.788 1.00 0.14 C ATOM 1473 C PRO A 86 8.565 -15.289 -7.391 1.00 13.22 C ATOM 1474 O PRO A 86 8.081 -14.319 -6.810 1.00 70.44 O ATOM 1475 CB PRO A 86 9.154 -15.544 -9.852 1.00 21.33 C ATOM 1476 CG PRO A 86 8.842 -14.258 -10.598 1.00 1.45 C ATOM 1477 CD PRO A 86 7.430 -13.835 -10.228 1.00 12.41 C ATOM 0 HA PRO A 86 7.766 -16.719 -8.690 1.00 0.14 H new ATOM 0 HB2 PRO A 86 10.146 -15.504 -9.402 1.00 21.33 H new ATOM 0 HB3 PRO A 86 9.145 -16.399 -10.528 1.00 21.33 H new ATOM 0 HG2 PRO A 86 9.556 -13.479 -10.331 1.00 1.45 H new ATOM 0 HG3 PRO A 86 8.925 -14.411 -11.674 1.00 1.45 H new ATOM 0 HD2 PRO A 86 7.412 -12.821 -9.828 1.00 12.41 H new ATOM 0 HD3 PRO A 86 6.773 -13.846 -11.097 1.00 12.41 H new ATOM 1485 N THR A 87 9.517 -16.066 -6.893 1.00 44.33 N ATOM 1486 CA THR A 87 10.075 -15.813 -5.574 1.00 62.41 C ATOM 1487 C THR A 87 11.091 -14.670 -5.637 1.00 30.31 C ATOM 1488 O THR A 87 11.232 -13.909 -4.682 1.00 14.22 O ATOM 1489 CB THR A 87 10.665 -17.123 -5.053 1.00 10.12 C ATOM 1490 OG1 THR A 87 11.910 -17.241 -5.735 1.00 55.12 O ATOM 1491 CG2 THR A 87 9.871 -18.347 -5.513 1.00 50.43 C ATOM 0 H THR A 87 9.916 -16.870 -7.378 1.00 44.33 H new ATOM 0 HA THR A 87 9.307 -15.485 -4.874 1.00 62.41 H new ATOM 0 HB THR A 87 10.695 -17.098 -3.964 1.00 10.12 H new ATOM 0 HG1 THR A 87 12.360 -18.065 -5.454 1.00 55.12 H new ATOM 0 HG21 THR A 87 10.333 -19.251 -5.115 1.00 50.43 H new ATOM 0 HG22 THR A 87 8.846 -18.273 -5.150 1.00 50.43 H new ATOM 0 HG23 THR A 87 9.868 -18.390 -6.602 1.00 50.43 H new ATOM 1499 N ALA A 88 11.772 -14.588 -6.770 1.00 71.44 N ATOM 1500 CA ALA A 88 12.771 -13.552 -6.968 1.00 13.45 C ATOM 1501 C ALA A 88 12.075 -12.245 -7.358 1.00 44.20 C ATOM 1502 O ALA A 88 12.734 -11.245 -7.635 1.00 63.25 O ATOM 1503 CB ALA A 88 13.780 -14.010 -8.023 1.00 64.41 C ATOM 0 H ALA A 88 11.652 -15.222 -7.560 1.00 71.44 H new ATOM 0 HA ALA A 88 13.322 -13.371 -6.045 1.00 13.45 H new ATOM 0 HB1 ALA A 88 14.529 -13.233 -8.171 1.00 64.41 H new ATOM 0 HB2 ALA A 88 14.268 -14.925 -7.687 1.00 64.41 H new ATOM 0 HB3 ALA A 88 13.262 -14.199 -8.963 1.00 64.41 H new ATOM 1509 N ALA A 89 10.751 -12.297 -7.364 1.00 34.45 N ATOM 1510 CA ALA A 89 9.959 -11.132 -7.712 1.00 73.43 C ATOM 1511 C ALA A 89 9.954 -10.152 -6.538 1.00 42.11 C ATOM 1512 O ALA A 89 8.898 -9.838 -5.990 1.00 30.52 O ATOM 1513 CB ALA A 89 8.548 -11.572 -8.110 1.00 61.45 C ATOM 0 H ALA A 89 10.208 -13.129 -7.133 1.00 34.45 H new ATOM 0 HA ALA A 89 10.394 -10.617 -8.569 1.00 73.43 H new ATOM 0 HB1 ALA A 89 7.954 -10.696 -8.371 1.00 61.45 H new ATOM 0 HB2 ALA A 89 8.604 -12.242 -8.968 1.00 61.45 H new ATOM 0 HB3 ALA A 89 8.080 -12.092 -7.274 1.00 61.45 H new ATOM 1519 N LEU A 90 11.146 -9.697 -6.184 1.00 64.42 N ATOM 1520 CA LEU A 90 11.293 -8.759 -5.083 1.00 63.51 C ATOM 1521 C LEU A 90 10.044 -7.879 -4.999 1.00 52.21 C ATOM 1522 O LEU A 90 9.710 -7.175 -5.950 1.00 54.01 O ATOM 1523 CB LEU A 90 12.595 -7.967 -5.223 1.00 34.25 C ATOM 1524 CG LEU A 90 13.886 -8.751 -4.980 1.00 71.21 C ATOM 1525 CD1 LEU A 90 15.072 -7.806 -4.775 1.00 54.54 C ATOM 1526 CD2 LEU A 90 13.723 -9.726 -3.812 1.00 41.31 C ATOM 0 H LEU A 90 12.020 -9.960 -6.640 1.00 64.42 H new ATOM 0 HA LEU A 90 11.372 -9.293 -4.136 1.00 63.51 H new ATOM 0 HB2 LEU A 90 12.634 -7.544 -6.227 1.00 34.25 H new ATOM 0 HB3 LEU A 90 12.565 -7.130 -4.525 1.00 34.25 H new ATOM 0 HG LEU A 90 14.097 -9.345 -5.869 1.00 71.21 H new ATOM 0 HD11 LEU A 90 15.977 -8.389 -4.604 1.00 54.54 H new ATOM 0 HD12 LEU A 90 15.202 -7.187 -5.663 1.00 54.54 H new ATOM 0 HD13 LEU A 90 14.884 -7.168 -3.912 1.00 54.54 H new ATOM 0 HD21 LEU A 90 14.655 -10.271 -3.660 1.00 41.31 H new ATOM 0 HD22 LEU A 90 13.475 -9.171 -2.907 1.00 41.31 H new ATOM 0 HD23 LEU A 90 12.923 -10.431 -4.036 1.00 41.31 H new ATOM 1538 N MET A 91 9.388 -7.948 -3.850 1.00 32.43 N ATOM 1539 CA MET A 91 8.183 -7.167 -3.628 1.00 22.31 C ATOM 1540 C MET A 91 8.272 -5.810 -4.332 1.00 44.01 C ATOM 1541 O MET A 91 7.275 -5.311 -4.852 1.00 41.02 O ATOM 1542 CB MET A 91 7.983 -6.949 -2.126 1.00 61.30 C ATOM 1543 CG MET A 91 7.710 -8.275 -1.413 1.00 10.20 C ATOM 1544 SD MET A 91 6.026 -8.315 -0.823 1.00 71.21 S ATOM 1545 CE MET A 91 5.158 -7.947 -2.340 1.00 3.14 C ATOM 0 H MET A 91 9.668 -8.533 -3.063 1.00 32.43 H new ATOM 0 HA MET A 91 7.337 -7.716 -4.040 1.00 22.31 H new ATOM 0 HB2 MET A 91 8.870 -6.479 -1.701 1.00 61.30 H new ATOM 0 HB3 MET A 91 7.150 -6.265 -1.961 1.00 61.30 H new ATOM 0 HG2 MET A 91 7.885 -9.107 -2.095 1.00 10.20 H new ATOM 0 HG3 MET A 91 8.400 -8.397 -0.578 1.00 10.20 H new ATOM 0 HE1 MET A 91 4.105 -8.207 -2.229 1.00 3.14 H new ATOM 0 HE2 MET A 91 5.248 -6.884 -2.562 1.00 3.14 H new ATOM 0 HE3 MET A 91 5.591 -8.526 -3.156 1.00 3.14 H new ATOM 1555 N SER A 92 9.474 -5.253 -4.326 1.00 61.22 N ATOM 1556 CA SER A 92 9.706 -3.966 -4.957 1.00 10.22 C ATOM 1557 C SER A 92 9.343 -4.038 -6.441 1.00 3.55 C ATOM 1558 O SER A 92 8.480 -3.296 -6.910 1.00 30.35 O ATOM 1559 CB SER A 92 11.161 -3.523 -4.788 1.00 12.35 C ATOM 1560 OG SER A 92 11.516 -2.495 -5.707 1.00 55.11 O ATOM 0 H SER A 92 10.298 -5.670 -3.894 1.00 61.22 H new ATOM 0 HA SER A 92 9.071 -3.227 -4.469 1.00 10.22 H new ATOM 0 HB2 SER A 92 11.316 -3.168 -3.769 1.00 12.35 H new ATOM 0 HB3 SER A 92 11.820 -4.380 -4.930 1.00 12.35 H new ATOM 0 HG SER A 92 12.451 -2.239 -5.566 1.00 55.11 H new ATOM 1566 N ALA A 93 10.018 -4.938 -7.140 1.00 51.43 N ATOM 1567 CA ALA A 93 9.778 -5.117 -8.562 1.00 44.32 C ATOM 1568 C ALA A 93 8.311 -5.496 -8.782 1.00 70.44 C ATOM 1569 O ALA A 93 7.807 -5.411 -9.901 1.00 35.31 O ATOM 1570 CB ALA A 93 10.742 -6.168 -9.115 1.00 51.33 C ATOM 0 H ALA A 93 10.732 -5.552 -6.748 1.00 51.43 H new ATOM 0 HA ALA A 93 9.964 -4.189 -9.103 1.00 44.32 H new ATOM 0 HB1 ALA A 93 10.562 -6.302 -10.182 1.00 51.33 H new ATOM 0 HB2 ALA A 93 11.769 -5.837 -8.959 1.00 51.33 H new ATOM 0 HB3 ALA A 93 10.583 -7.115 -8.599 1.00 51.33 H new ATOM 1576 N ILE A 94 7.669 -5.905 -7.698 1.00 40.34 N ATOM 1577 CA ILE A 94 6.272 -6.296 -7.760 1.00 0.42 C ATOM 1578 C ILE A 94 5.391 -5.057 -7.590 1.00 61.53 C ATOM 1579 O ILE A 94 4.356 -4.933 -8.243 1.00 44.40 O ATOM 1580 CB ILE A 94 5.980 -7.402 -6.742 1.00 24.11 C ATOM 1581 CG1 ILE A 94 6.802 -8.655 -7.044 1.00 53.44 C ATOM 1582 CG2 ILE A 94 4.482 -7.702 -6.673 1.00 24.34 C ATOM 1583 CD1 ILE A 94 6.249 -9.395 -8.264 1.00 10.40 C ATOM 0 H ILE A 94 8.091 -5.974 -6.772 1.00 40.34 H new ATOM 0 HA ILE A 94 6.039 -6.722 -8.736 1.00 0.42 H new ATOM 0 HB ILE A 94 6.283 -7.048 -5.757 1.00 24.11 H new ATOM 0 HG12 ILE A 94 7.841 -8.378 -7.223 1.00 53.44 H new ATOM 0 HG13 ILE A 94 6.793 -9.317 -6.178 1.00 53.44 H new ATOM 0 HG21 ILE A 94 4.302 -8.491 -5.943 1.00 24.34 H new ATOM 0 HG22 ILE A 94 3.944 -6.802 -6.375 1.00 24.34 H new ATOM 0 HG23 ILE A 94 4.131 -8.027 -7.652 1.00 24.34 H new ATOM 0 HD11 ILE A 94 6.853 -10.282 -8.456 1.00 10.40 H new ATOM 0 HD12 ILE A 94 5.218 -9.692 -8.073 1.00 10.40 H new ATOM 0 HD13 ILE A 94 6.282 -8.739 -9.134 1.00 10.40 H new ATOM 1595 N TYR A 95 5.835 -4.170 -6.711 1.00 51.15 N ATOM 1596 CA TYR A 95 5.100 -2.944 -6.448 1.00 20.24 C ATOM 1597 C TYR A 95 5.378 -1.897 -7.527 1.00 42.21 C ATOM 1598 O TYR A 95 4.763 -0.831 -7.536 1.00 45.41 O ATOM 1599 CB TYR A 95 5.614 -2.426 -5.104 1.00 42.53 C ATOM 1600 CG TYR A 95 5.062 -1.052 -4.715 1.00 20.22 C ATOM 1601 CD1 TYR A 95 5.534 0.083 -5.342 1.00 42.40 C ATOM 1602 CD2 TYR A 95 4.093 -0.948 -3.739 1.00 32.12 C ATOM 1603 CE1 TYR A 95 5.017 1.376 -4.976 1.00 23.54 C ATOM 1604 CE2 TYR A 95 3.574 0.344 -3.372 1.00 52.14 C ATOM 1605 CZ TYR A 95 4.062 1.442 -4.010 1.00 24.44 C ATOM 1606 OH TYR A 95 3.571 2.663 -3.665 1.00 51.50 O ATOM 0 H TYR A 95 6.694 -4.276 -6.172 1.00 51.15 H new ATOM 0 HA TYR A 95 4.026 -3.133 -6.440 1.00 20.24 H new ATOM 0 HB2 TYR A 95 5.355 -3.144 -4.326 1.00 42.53 H new ATOM 0 HB3 TYR A 95 6.702 -2.373 -5.139 1.00 42.53 H new ATOM 0 HD1 TYR A 95 6.291 0.001 -6.108 1.00 42.40 H new ATOM 0 HD2 TYR A 95 3.723 -1.837 -3.249 1.00 32.12 H new ATOM 0 HE1 TYR A 95 5.379 2.272 -5.457 1.00 23.54 H new ATOM 0 HE2 TYR A 95 2.816 0.439 -2.609 1.00 52.14 H new ATOM 0 HH TYR A 95 2.850 2.912 -4.281 1.00 51.50 H new ATOM 1616 N GLN A 96 6.307 -2.234 -8.409 1.00 41.34 N ATOM 1617 CA GLN A 96 6.675 -1.335 -9.489 1.00 40.14 C ATOM 1618 C GLN A 96 6.017 -1.779 -10.797 1.00 73.33 C ATOM 1619 O GLN A 96 6.045 -1.051 -11.789 1.00 35.05 O ATOM 1620 CB GLN A 96 8.195 -1.251 -9.641 1.00 62.44 C ATOM 1621 CG GLN A 96 8.600 -1.251 -11.116 1.00 73.05 C ATOM 1622 CD GLN A 96 10.119 -1.144 -11.267 1.00 52.22 C ATOM 1623 OE1 GLN A 96 10.831 -0.723 -10.370 1.00 22.34 O ATOM 1624 NE2 GLN A 96 10.575 -1.547 -12.451 1.00 34.13 N ATOM 0 H GLN A 96 6.816 -3.118 -8.398 1.00 41.34 H new ATOM 0 HA GLN A 96 6.313 -0.337 -9.243 1.00 40.14 H new ATOM 0 HB2 GLN A 96 8.563 -0.345 -9.159 1.00 62.44 H new ATOM 0 HB3 GLN A 96 8.662 -2.094 -9.132 1.00 62.44 H new ATOM 0 HG2 GLN A 96 8.247 -2.165 -11.594 1.00 73.05 H new ATOM 0 HG3 GLN A 96 8.120 -0.417 -11.629 1.00 73.05 H new ATOM 0 HE21 GLN A 96 9.925 -1.889 -13.159 1.00 34.13 H new ATOM 0 HE22 GLN A 96 11.575 -1.514 -12.651 1.00 34.13 H new ATOM 1633 N GLU A 97 5.441 -2.972 -10.757 1.00 32.44 N ATOM 1634 CA GLU A 97 4.777 -3.521 -11.927 1.00 2.21 C ATOM 1635 C GLU A 97 3.297 -3.769 -11.630 1.00 41.50 C ATOM 1636 O GLU A 97 2.525 -4.092 -12.530 1.00 31.31 O ATOM 1637 CB GLU A 97 5.466 -4.804 -12.395 1.00 65.22 C ATOM 1638 CG GLU A 97 4.834 -6.036 -11.740 1.00 55.53 C ATOM 1639 CD GLU A 97 5.614 -7.304 -12.091 1.00 44.43 C ATOM 1640 OE1 GLU A 97 6.480 -7.734 -11.315 1.00 63.43 O ATOM 1641 OE2 GLU A 97 5.293 -7.848 -13.215 1.00 70.13 O ATOM 0 H GLU A 97 5.421 -3.573 -9.933 1.00 32.44 H new ATOM 0 HA GLU A 97 4.847 -2.794 -12.736 1.00 2.21 H new ATOM 0 HB2 GLU A 97 5.392 -4.886 -13.479 1.00 65.22 H new ATOM 0 HB3 GLU A 97 6.527 -4.761 -12.150 1.00 65.22 H new ATOM 0 HG2 GLU A 97 4.812 -5.906 -10.658 1.00 55.53 H new ATOM 0 HG3 GLU A 97 3.800 -6.138 -12.070 1.00 55.53 H new ATOM 1649 N HIS A 98 2.946 -3.610 -10.362 1.00 3.52 N ATOM 1650 CA HIS A 98 1.572 -3.812 -9.935 1.00 21.22 C ATOM 1651 C HIS A 98 1.090 -2.587 -9.156 1.00 61.24 C ATOM 1652 O HIS A 98 0.089 -2.652 -8.444 1.00 1.42 O ATOM 1653 CB HIS A 98 1.437 -5.111 -9.138 1.00 32.21 C ATOM 1654 CG HIS A 98 1.635 -6.361 -9.962 1.00 32.35 C ATOM 1655 ND1 HIS A 98 2.298 -7.519 -9.680 1.00 41.32 N flip ATOM 1656 CD2 HIS A 98 1.118 -6.507 -11.237 1.00 62.03 C flip ATOM 1657 CE1 HIS A 98 2.191 -8.329 -10.726 1.00 52.14 C flip ATOM 1658 NE2 HIS A 98 1.460 -7.703 -11.693 1.00 24.24 N flip ATOM 0 H HIS A 98 3.589 -3.344 -9.617 1.00 3.52 H new ATOM 0 HA HIS A 98 0.929 -3.920 -10.808 1.00 21.22 H new ATOM 0 HB2 HIS A 98 2.164 -5.104 -8.326 1.00 32.21 H new ATOM 0 HB3 HIS A 98 0.448 -5.143 -8.680 1.00 32.21 H new ATOM 0 HD2 HIS A 98 0.535 -5.771 -11.770 1.00 62.03 H new ATOM 0 HE1 HIS A 98 2.613 -9.320 -10.800 1.00 52.14 H new ATOM 0 HE2 HIS A 98 1.219 -8.088 -12.606 1.00 24.24 H new ATOM 1667 N LYS A 99 1.826 -1.497 -9.317 1.00 12.51 N ATOM 1668 CA LYS A 99 1.486 -0.258 -8.639 1.00 13.43 C ATOM 1669 C LYS A 99 0.066 0.158 -9.026 1.00 32.40 C ATOM 1670 O LYS A 99 -0.444 -0.254 -10.065 1.00 3.15 O ATOM 1671 CB LYS A 99 2.541 0.815 -8.922 1.00 4.34 C ATOM 1672 CG LYS A 99 2.609 1.134 -10.416 1.00 4.14 C ATOM 1673 CD LYS A 99 2.185 2.580 -10.687 1.00 12.25 C ATOM 1674 CE LYS A 99 2.039 2.837 -12.189 1.00 60.42 C ATOM 1675 NZ LYS A 99 0.849 3.674 -12.459 1.00 53.51 N ATOM 0 H LYS A 99 2.656 -1.446 -9.907 1.00 12.51 H new ATOM 0 HA LYS A 99 1.492 -0.401 -7.558 1.00 13.43 H new ATOM 0 HB2 LYS A 99 2.303 1.720 -8.363 1.00 4.34 H new ATOM 0 HB3 LYS A 99 3.516 0.473 -8.575 1.00 4.34 H new ATOM 0 HG2 LYS A 99 3.624 0.974 -10.780 1.00 4.14 H new ATOM 0 HG3 LYS A 99 1.962 0.452 -10.967 1.00 4.14 H new ATOM 0 HD2 LYS A 99 1.239 2.785 -10.186 1.00 12.25 H new ATOM 0 HD3 LYS A 99 2.923 3.264 -10.268 1.00 12.25 H new ATOM 0 HE2 LYS A 99 2.933 3.333 -12.568 1.00 60.42 H new ATOM 0 HE3 LYS A 99 1.952 1.889 -12.719 1.00 60.42 H new ATOM 0 HZ1 LYS A 99 0.765 3.838 -13.482 1.00 53.51 H new ATOM 0 HZ2 LYS A 99 -0.003 3.187 -12.116 1.00 53.51 H new ATOM 0 HZ3 LYS A 99 0.948 4.586 -11.969 1.00 53.51 H new ATOM 1689 N ASP A 100 -0.533 0.970 -8.167 1.00 41.20 N ATOM 1690 CA ASP A 100 -1.884 1.447 -8.405 1.00 31.41 C ATOM 1691 C ASP A 100 -1.914 2.971 -8.274 1.00 24.34 C ATOM 1692 O ASP A 100 -0.923 3.584 -7.880 1.00 10.10 O ATOM 1693 CB ASP A 100 -2.864 0.865 -7.384 1.00 64.51 C ATOM 1694 CG ASP A 100 -3.740 -0.275 -7.905 1.00 34.41 C ATOM 1695 OD1 ASP A 100 -4.963 -0.286 -7.699 1.00 4.35 O ATOM 1696 OD2 ASP A 100 -3.109 -1.194 -8.556 1.00 2.43 O ATOM 0 H ASP A 100 -0.107 1.310 -7.305 1.00 41.20 H new ATOM 0 HA ASP A 100 -2.179 1.133 -9.406 1.00 31.41 H new ATOM 0 HB2 ASP A 100 -2.298 0.505 -6.525 1.00 64.51 H new ATOM 0 HB3 ASP A 100 -3.511 1.666 -7.027 1.00 64.51 H new ATOM 1702 N LYS A 101 -3.063 3.540 -8.610 1.00 74.24 N ATOM 1703 CA LYS A 101 -3.235 4.980 -8.535 1.00 45.13 C ATOM 1704 C LYS A 101 -2.982 5.445 -7.099 1.00 14.41 C ATOM 1705 O LYS A 101 -2.386 6.498 -6.880 1.00 44.44 O ATOM 1706 CB LYS A 101 -4.605 5.386 -9.080 1.00 61.03 C ATOM 1707 CG LYS A 101 -4.960 4.578 -10.331 1.00 1.14 C ATOM 1708 CD LYS A 101 -5.957 5.335 -11.208 1.00 13.14 C ATOM 1709 CE LYS A 101 -5.350 6.636 -11.736 1.00 51.00 C ATOM 1710 NZ LYS A 101 -6.019 7.050 -12.988 1.00 33.55 N ATOM 0 H LYS A 101 -3.884 3.029 -8.935 1.00 74.24 H new ATOM 0 HA LYS A 101 -2.505 5.484 -9.168 1.00 45.13 H new ATOM 0 HB2 LYS A 101 -5.365 5.231 -8.315 1.00 61.03 H new ATOM 0 HB3 LYS A 101 -4.605 6.450 -9.318 1.00 61.03 H new ATOM 0 HG2 LYS A 101 -4.055 4.368 -10.901 1.00 1.14 H new ATOM 0 HG3 LYS A 101 -5.383 3.617 -10.039 1.00 1.14 H new ATOM 0 HD2 LYS A 101 -6.261 4.706 -12.045 1.00 13.14 H new ATOM 0 HD3 LYS A 101 -6.856 5.557 -10.633 1.00 13.14 H new ATOM 0 HE2 LYS A 101 -5.450 7.421 -10.987 1.00 51.00 H new ATOM 0 HE3 LYS A 101 -4.283 6.500 -11.915 1.00 51.00 H new ATOM 0 HZ1 LYS A 101 -5.594 7.935 -13.332 1.00 33.55 H new ATOM 0 HZ2 LYS A 101 -5.902 6.307 -13.706 1.00 33.55 H new ATOM 0 HZ3 LYS A 101 -7.032 7.200 -12.807 1.00 33.55 H new ATOM 1724 N ASP A 102 -3.449 4.637 -6.159 1.00 24.54 N ATOM 1725 CA ASP A 102 -3.281 4.952 -4.751 1.00 44.11 C ATOM 1726 C ASP A 102 -1.813 4.767 -4.362 1.00 52.35 C ATOM 1727 O ASP A 102 -1.394 5.191 -3.286 1.00 42.15 O ATOM 1728 CB ASP A 102 -4.123 4.022 -3.873 1.00 5.45 C ATOM 1729 CG ASP A 102 -4.193 2.570 -4.353 1.00 13.43 C ATOM 1730 OD1 ASP A 102 -3.312 1.753 -4.047 1.00 41.40 O ATOM 1731 OD2 ASP A 102 -5.220 2.286 -5.081 1.00 40.41 O ATOM 0 H ASP A 102 -3.944 3.765 -6.345 1.00 24.54 H new ATOM 0 HA ASP A 102 -3.602 5.982 -4.597 1.00 44.11 H new ATOM 0 HB2 ASP A 102 -3.717 4.036 -2.861 1.00 5.45 H new ATOM 0 HB3 ASP A 102 -5.136 4.420 -3.816 1.00 5.45 H new ATOM 1737 N GLY A 103 -1.072 4.134 -5.261 1.00 12.34 N ATOM 1738 CA GLY A 103 0.342 3.888 -5.025 1.00 1.51 C ATOM 1739 C GLY A 103 0.550 2.569 -4.278 1.00 42.14 C ATOM 1740 O GLY A 103 1.487 1.828 -4.572 1.00 30.21 O ATOM 0 H GLY A 103 -1.423 3.785 -6.153 1.00 12.34 H new ATOM 0 HA2 GLY A 103 0.874 3.860 -5.976 1.00 1.51 H new ATOM 0 HA3 GLY A 103 0.766 4.709 -4.447 1.00 1.51 H new ATOM 1744 N PHE A 104 -0.337 2.318 -3.326 1.00 53.45 N ATOM 1745 CA PHE A 104 -0.259 1.102 -2.534 1.00 12.24 C ATOM 1746 C PHE A 104 -0.388 -0.138 -3.422 1.00 72.13 C ATOM 1747 O PHE A 104 -0.949 -0.070 -4.514 1.00 71.15 O ATOM 1748 CB PHE A 104 -1.431 1.135 -1.551 1.00 72.42 C ATOM 1749 CG PHE A 104 -1.116 1.838 -0.230 1.00 64.25 C ATOM 1750 CD1 PHE A 104 -1.218 3.191 -0.140 1.00 73.23 C ATOM 1751 CD2 PHE A 104 -0.732 1.111 0.854 1.00 30.24 C ATOM 1752 CE1 PHE A 104 -0.925 3.845 1.086 1.00 34.41 C ATOM 1753 CE2 PHE A 104 -0.439 1.766 2.079 1.00 70.41 C ATOM 1754 CZ PHE A 104 -0.542 3.118 2.171 1.00 62.30 C ATOM 0 H PHE A 104 -1.113 2.935 -3.085 1.00 53.45 H new ATOM 0 HA PHE A 104 0.701 1.051 -2.021 1.00 12.24 H new ATOM 0 HB2 PHE A 104 -2.275 1.636 -2.025 1.00 72.42 H new ATOM 0 HB3 PHE A 104 -1.744 0.112 -1.341 1.00 72.42 H new ATOM 0 HD1 PHE A 104 -1.522 3.768 -1.001 1.00 73.23 H new ATOM 0 HD2 PHE A 104 -0.650 0.036 0.783 1.00 30.24 H new ATOM 0 HE1 PHE A 104 -1.006 4.920 1.157 1.00 34.41 H new ATOM 0 HE2 PHE A 104 -0.134 1.189 2.939 1.00 70.41 H new ATOM 0 HZ PHE A 104 -0.320 3.615 3.104 1.00 62.30 H new ATOM 1764 N LEU A 105 0.143 -1.244 -2.919 1.00 64.23 N ATOM 1765 CA LEU A 105 0.096 -2.497 -3.652 1.00 0.04 C ATOM 1766 C LEU A 105 -1.092 -3.326 -3.158 1.00 11.52 C ATOM 1767 O LEU A 105 -1.451 -3.267 -1.983 1.00 74.42 O ATOM 1768 CB LEU A 105 1.437 -3.227 -3.553 1.00 42.33 C ATOM 1769 CG LEU A 105 2.285 -3.246 -4.827 1.00 21.41 C ATOM 1770 CD1 LEU A 105 1.975 -4.484 -5.672 1.00 42.30 C ATOM 1771 CD2 LEU A 105 2.111 -1.951 -5.621 1.00 71.12 C ATOM 0 H LEU A 105 0.608 -1.297 -2.013 1.00 64.23 H new ATOM 0 HA LEU A 105 -0.062 -2.311 -4.714 1.00 0.04 H new ATOM 0 HB2 LEU A 105 2.022 -2.765 -2.758 1.00 42.33 H new ATOM 0 HB3 LEU A 105 1.246 -4.257 -3.252 1.00 42.33 H new ATOM 0 HG LEU A 105 3.334 -3.307 -4.539 1.00 21.41 H new ATOM 0 HD11 LEU A 105 2.590 -4.474 -6.572 1.00 42.30 H new ATOM 0 HD12 LEU A 105 2.192 -5.382 -5.094 1.00 42.30 H new ATOM 0 HD13 LEU A 105 0.922 -4.478 -5.953 1.00 42.30 H new ATOM 0 HD21 LEU A 105 2.724 -1.991 -6.521 1.00 71.12 H new ATOM 0 HD22 LEU A 105 1.064 -1.833 -5.900 1.00 71.12 H new ATOM 0 HD23 LEU A 105 2.420 -1.104 -5.008 1.00 71.12 H new ATOM 1783 N TYR A 106 -1.671 -4.080 -4.083 1.00 53.40 N ATOM 1784 CA TYR A 106 -2.811 -4.919 -3.756 1.00 42.31 C ATOM 1785 C TYR A 106 -2.545 -6.376 -4.138 1.00 52.24 C ATOM 1786 O TYR A 106 -2.733 -6.765 -5.289 1.00 34.34 O ATOM 1787 CB TYR A 106 -3.976 -4.391 -4.595 1.00 64.40 C ATOM 1788 CG TYR A 106 -4.440 -2.986 -4.202 1.00 62.10 C ATOM 1789 CD1 TYR A 106 -5.147 -2.794 -3.033 1.00 34.43 C ATOM 1790 CD2 TYR A 106 -4.149 -1.911 -5.016 1.00 44.43 C ATOM 1791 CE1 TYR A 106 -5.583 -1.473 -2.663 1.00 3.33 C ATOM 1792 CE2 TYR A 106 -4.584 -0.589 -4.646 1.00 41.03 C ATOM 1793 CZ TYR A 106 -5.280 -0.436 -3.488 1.00 45.15 C ATOM 1794 OH TYR A 106 -5.691 0.813 -3.138 1.00 44.34 O ATOM 0 H TYR A 106 -1.372 -4.127 -5.057 1.00 53.40 H new ATOM 0 HA TYR A 106 -3.017 -4.888 -2.686 1.00 42.31 H new ATOM 0 HB2 TYR A 106 -3.681 -4.385 -5.644 1.00 64.40 H new ATOM 0 HB3 TYR A 106 -4.817 -5.079 -4.504 1.00 64.40 H new ATOM 0 HD1 TYR A 106 -5.374 -3.635 -2.395 1.00 34.43 H new ATOM 0 HD2 TYR A 106 -3.595 -2.061 -5.931 1.00 44.43 H new ATOM 0 HE1 TYR A 106 -6.138 -1.310 -1.751 1.00 3.33 H new ATOM 0 HE2 TYR A 106 -4.363 0.261 -5.274 1.00 41.03 H new ATOM 0 HH TYR A 106 -6.038 1.277 -3.929 1.00 44.34 H new ATOM 1804 N VAL A 107 -2.111 -7.143 -3.147 1.00 22.34 N ATOM 1805 CA VAL A 107 -1.817 -8.550 -3.364 1.00 40.22 C ATOM 1806 C VAL A 107 -2.884 -9.402 -2.672 1.00 71.32 C ATOM 1807 O VAL A 107 -3.713 -8.881 -1.929 1.00 62.14 O ATOM 1808 CB VAL A 107 -0.397 -8.867 -2.888 1.00 15.44 C ATOM 1809 CG1 VAL A 107 -0.284 -8.725 -1.369 1.00 53.13 C ATOM 1810 CG2 VAL A 107 0.033 -10.263 -3.344 1.00 51.41 C ATOM 0 H VAL A 107 -1.956 -6.817 -2.193 1.00 22.34 H new ATOM 0 HA VAL A 107 -1.850 -8.788 -4.427 1.00 40.22 H new ATOM 0 HB VAL A 107 0.280 -8.143 -3.342 1.00 15.44 H new ATOM 0 HG11 VAL A 107 0.735 -8.956 -1.057 1.00 53.13 H new ATOM 0 HG12 VAL A 107 -0.530 -7.703 -1.080 1.00 53.13 H new ATOM 0 HG13 VAL A 107 -0.976 -9.415 -0.887 1.00 53.13 H new ATOM 0 HG21 VAL A 107 1.045 -10.465 -2.993 1.00 51.41 H new ATOM 0 HG22 VAL A 107 -0.649 -11.007 -2.931 1.00 51.41 H new ATOM 0 HG23 VAL A 107 0.009 -10.314 -4.433 1.00 51.41 H new ATOM 1820 N THR A 108 -2.827 -10.697 -2.942 1.00 21.14 N ATOM 1821 CA THR A 108 -3.776 -11.627 -2.354 1.00 55.41 C ATOM 1822 C THR A 108 -3.162 -13.024 -2.251 1.00 62.50 C ATOM 1823 O THR A 108 -2.155 -13.313 -2.896 1.00 11.44 O ATOM 1824 CB THR A 108 -5.057 -11.585 -3.191 1.00 74.21 C ATOM 1825 OG1 THR A 108 -5.108 -10.249 -3.683 1.00 40.54 O ATOM 1826 CG2 THR A 108 -6.319 -11.716 -2.337 1.00 22.42 C ATOM 0 H THR A 108 -2.138 -11.125 -3.561 1.00 21.14 H new ATOM 0 HA THR A 108 -4.028 -11.343 -1.332 1.00 55.41 H new ATOM 0 HB THR A 108 -5.034 -12.386 -3.929 1.00 74.21 H new ATOM 0 HG1 THR A 108 -5.908 -10.135 -4.237 1.00 40.54 H new ATOM 0 HG21 THR A 108 -7.199 -11.680 -2.980 1.00 22.42 H new ATOM 0 HG22 THR A 108 -6.299 -12.665 -1.802 1.00 22.42 H new ATOM 0 HG23 THR A 108 -6.360 -10.896 -1.620 1.00 22.42 H new ATOM 1834 N TYR A 109 -3.795 -13.855 -1.436 1.00 43.11 N ATOM 1835 CA TYR A 109 -3.323 -15.215 -1.239 1.00 32.00 C ATOM 1836 C TYR A 109 -4.497 -16.193 -1.136 1.00 31.13 C ATOM 1837 O TYR A 109 -5.500 -15.896 -0.489 1.00 1.41 O ATOM 1838 CB TYR A 109 -2.560 -15.211 0.085 1.00 63.54 C ATOM 1839 CG TYR A 109 -3.399 -14.771 1.286 1.00 53.43 C ATOM 1840 CD1 TYR A 109 -3.686 -13.435 1.476 1.00 61.31 C ATOM 1841 CD2 TYR A 109 -3.871 -15.712 2.178 1.00 21.34 C ATOM 1842 CE1 TYR A 109 -4.476 -13.021 2.607 1.00 51.34 C ATOM 1843 CE2 TYR A 109 -4.662 -15.300 3.309 1.00 12.40 C ATOM 1844 CZ TYR A 109 -4.925 -13.974 3.467 1.00 12.31 C ATOM 1845 OH TYR A 109 -5.672 -13.583 4.535 1.00 35.34 O ATOM 0 H TYR A 109 -4.631 -13.613 -0.904 1.00 43.11 H new ATOM 0 HA TYR A 109 -2.701 -15.530 -2.077 1.00 32.00 H new ATOM 0 HB2 TYR A 109 -2.173 -16.213 0.273 1.00 63.54 H new ATOM 0 HB3 TYR A 109 -1.699 -14.549 -0.006 1.00 63.54 H new ATOM 0 HD1 TYR A 109 -3.318 -12.699 0.776 1.00 61.31 H new ATOM 0 HD2 TYR A 109 -3.647 -16.758 2.028 1.00 21.34 H new ATOM 0 HE1 TYR A 109 -4.706 -11.978 2.768 1.00 51.34 H new ATOM 0 HE2 TYR A 109 -5.037 -16.026 4.015 1.00 12.40 H new ATOM 0 HH TYR A 109 -5.925 -14.369 5.063 1.00 35.34 H new ATOM 1855 N SER A 110 -4.331 -17.338 -1.781 1.00 65.21 N ATOM 1856 CA SER A 110 -5.363 -18.360 -1.768 1.00 13.24 C ATOM 1857 C SER A 110 -4.729 -19.742 -1.595 1.00 41.23 C ATOM 1858 O SER A 110 -3.913 -20.161 -2.414 1.00 40.25 O ATOM 1859 CB SER A 110 -6.197 -18.316 -3.050 1.00 42.53 C ATOM 1860 OG SER A 110 -7.160 -19.366 -3.097 1.00 73.50 O ATOM 0 H SER A 110 -3.497 -17.581 -2.316 1.00 65.21 H new ATOM 0 HA SER A 110 -6.028 -18.164 -0.927 1.00 13.24 H new ATOM 0 HB2 SER A 110 -6.706 -17.354 -3.119 1.00 42.53 H new ATOM 0 HB3 SER A 110 -5.537 -18.390 -3.914 1.00 42.53 H new ATOM 0 HG SER A 110 -7.673 -19.303 -3.930 1.00 73.50 H new ATOM 1866 N GLY A 111 -5.129 -20.410 -0.523 1.00 54.34 N ATOM 1867 CA GLY A 111 -4.610 -21.736 -0.232 1.00 10.15 C ATOM 1868 C GLY A 111 -4.448 -22.555 -1.514 1.00 11.13 C ATOM 1869 O GLY A 111 -3.555 -23.396 -1.609 1.00 34.05 O ATOM 0 H GLY A 111 -5.806 -20.058 0.154 1.00 54.34 H new ATOM 0 HA2 GLY A 111 -3.648 -21.651 0.273 1.00 10.15 H new ATOM 0 HA3 GLY A 111 -5.284 -22.253 0.451 1.00 10.15 H new ATOM 1873 N GLU A 112 -5.325 -22.282 -2.468 1.00 51.04 N ATOM 1874 CA GLU A 112 -5.291 -22.983 -3.740 1.00 65.25 C ATOM 1875 C GLU A 112 -4.597 -22.127 -4.800 1.00 62.14 C ATOM 1876 O GLU A 112 -4.632 -20.899 -4.732 1.00 15.24 O ATOM 1877 CB GLU A 112 -6.700 -23.376 -4.188 1.00 35.22 C ATOM 1878 CG GLU A 112 -7.509 -22.142 -4.597 1.00 43.23 C ATOM 1879 CD GLU A 112 -8.935 -22.529 -4.989 1.00 13.11 C ATOM 1880 OE1 GLU A 112 -9.559 -23.364 -4.317 1.00 1.43 O ATOM 1881 OE2 GLU A 112 -9.398 -21.927 -6.033 1.00 41.42 O ATOM 0 H GLU A 112 -6.064 -21.584 -2.386 1.00 51.04 H new ATOM 0 HA GLU A 112 -4.718 -23.901 -3.611 1.00 65.25 H new ATOM 0 HB2 GLU A 112 -6.639 -24.070 -5.027 1.00 35.22 H new ATOM 0 HB3 GLU A 112 -7.210 -23.898 -3.379 1.00 35.22 H new ATOM 0 HG2 GLU A 112 -7.535 -21.430 -3.772 1.00 43.23 H new ATOM 0 HG3 GLU A 112 -7.020 -21.643 -5.434 1.00 43.23 H new ATOM 1889 N ASN A 113 -3.983 -22.807 -5.756 1.00 71.13 N ATOM 1890 CA ASN A 113 -3.282 -22.123 -6.830 1.00 34.31 C ATOM 1891 C ASN A 113 -4.199 -22.025 -8.051 1.00 20.23 C ATOM 1892 O ASN A 113 -3.792 -22.350 -9.166 1.00 34.14 O ATOM 1893 CB ASN A 113 -2.025 -22.890 -7.245 1.00 45.03 C ATOM 1894 CG ASN A 113 -1.138 -22.041 -8.157 1.00 12.10 C ATOM 1895 OD1 ASN A 113 -1.601 -21.376 -9.070 1.00 30.35 O ATOM 1896 ND2 ASN A 113 0.157 -22.099 -7.861 1.00 31.33 N ATOM 0 H ASN A 113 -3.956 -23.825 -5.810 1.00 71.13 H new ATOM 0 HA ASN A 113 -2.999 -21.134 -6.470 1.00 34.31 H new ATOM 0 HB2 ASN A 113 -1.464 -23.183 -6.357 1.00 45.03 H new ATOM 0 HB3 ASN A 113 -2.309 -23.808 -7.760 1.00 45.03 H new ATOM 0 HD21 ASN A 113 0.830 -21.567 -8.412 1.00 31.33 H new ATOM 0 HD22 ASN A 113 0.477 -22.676 -7.083 1.00 31.33 H new ATOM 2441 N ILE B 629 4.679 -7.621 9.334 1.00 24.41 N ATOM 2442 CA ILE B 629 4.015 -7.640 8.042 1.00 43.42 C ATOM 2443 C ILE B 629 5.063 -7.796 6.937 1.00 31.11 C ATOM 2444 O ILE B 629 4.768 -7.582 5.762 1.00 23.45 O ATOM 2445 CB ILE B 629 3.128 -6.404 7.878 1.00 50.14 C ATOM 2446 CG1 ILE B 629 3.891 -5.129 8.246 1.00 52.51 C ATOM 2447 CG2 ILE B 629 1.833 -6.548 8.678 1.00 41.43 C ATOM 2448 CD1 ILE B 629 5.193 -5.021 7.450 1.00 61.41 C ATOM 0 HA ILE B 629 3.345 -8.497 7.970 1.00 43.42 H new ATOM 0 HB ILE B 629 2.849 -6.321 6.828 1.00 50.14 H new ATOM 0 HG12 ILE B 629 3.267 -4.258 8.049 1.00 52.51 H new ATOM 0 HG13 ILE B 629 4.112 -5.128 9.313 1.00 52.51 H new ATOM 0 HG21 ILE B 629 1.221 -5.656 8.544 1.00 41.43 H new ATOM 0 HG22 ILE B 629 1.283 -7.421 8.326 1.00 41.43 H new ATOM 0 HG23 ILE B 629 2.070 -6.670 9.735 1.00 41.43 H new ATOM 0 HD11 ILE B 629 5.716 -4.107 7.730 1.00 61.41 H new ATOM 0 HD12 ILE B 629 5.825 -5.882 7.668 1.00 61.41 H new ATOM 0 HD13 ILE B 629 4.967 -4.998 6.384 1.00 61.41 H new ATOM 2460 N ALA B 630 6.264 -8.168 7.353 1.00 41.41 N ATOM 2461 CA ALA B 630 7.356 -8.356 6.415 1.00 34.31 C ATOM 2462 C ALA B 630 8.599 -8.828 7.172 1.00 73.25 C ATOM 2463 O ALA B 630 9.379 -8.013 7.661 1.00 11.20 O ATOM 2464 CB ALA B 630 7.600 -7.055 5.648 1.00 15.34 C ATOM 0 H ALA B 630 6.505 -8.344 8.328 1.00 41.41 H new ATOM 0 HA ALA B 630 7.105 -9.124 5.683 1.00 34.31 H new ATOM 0 HB1 ALA B 630 8.420 -7.196 4.944 1.00 15.34 H new ATOM 0 HB2 ALA B 630 6.697 -6.779 5.103 1.00 15.34 H new ATOM 0 HB3 ALA B 630 7.857 -6.262 6.350 1.00 15.34 H new