USER MOD reduce.3.24.130724 H: found=0, std=0, add=929, rem=0, adj=25 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 81 ASN : amide:sc= -5.87! K(o=-12!,f=-4.7) USER MOD Set 1.2: A 98 HIS : no HD1:sc= -6.06! K(o=-12!,f=-4.7) USER MOD Single : A 4 THR OG1 : rot -71:sc= -4.28! USER MOD Single : A 6 LYS NZ :NH3+ -147:sc= -5.35! (180deg=-6.64!) USER MOD Single : A 7 SER OG : rot 40:sc= 0.89 USER MOD Single : A 9 TYR OH : rot -28:sc= -3.51! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 168:sc= -1.27 (180deg=-1.53) USER MOD Single : A 18 SER OG : rot 142:sc= 0.859 USER MOD Single : A 27 ASN : amide:sc= -0.562 K(o=-0.56,f=-3!) USER MOD Single : A 33 CYS SG : rot 140:sc= -3.21! USER MOD Single : A 35 LYS NZ :NH3+ 155:sc= 0.569 (180deg=-0.113) USER MOD Single : A 38 LYS NZ :NH3+ 140:sc= -0.35 (180deg=-1.16!) USER MOD Single : A 39 SER OG : rot 11:sc= -0.446 USER MOD Single : A 46 LYS NZ :NH3+ 156:sc= -0.103 (180deg=-1.04) USER MOD Single : A 48 LYS NZ :NH3+ 133:sc= -0.794 (180deg=-2.09!) USER MOD Single : A 49 TYR OH : rot 173:sc= -5.04! USER MOD Single : A 56 THR OG1 : rot 137:sc= 0.84 USER MOD Single : A 59 GLN : amide:sc= -1.55 K(o=-1.5,f=-2.4) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 160:sc= -0.394 (180deg=-1.53!) 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= -0.0611 USER MOD Single : A 91 MET CE :methyl 159:sc= -0.0188 (180deg=-0.233) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -3.14! C(o=-3.1!,f=-7.9!) 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 -163:sc= 0.0657 USER MOD Single : A 108 THR OG1 : rot 180:sc= -1.16! USER MOD Single : A 109 TYR OH : rot 180:sc= -2.32 USER MOD Single : A 110 SER OG : rot 174:sc= -2.83! USER MOD Single : A 113 ASN : amide:sc= -3.13! C(o=-3.1!,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 69 N THR A 4 -11.250 -4.850 5.088 1.00 53.15 N ATOM 70 CA THR A 4 -11.359 -4.315 6.434 1.00 1.20 C ATOM 71 C THR A 4 -10.626 -2.976 6.537 1.00 34.02 C ATOM 72 O THR A 4 -11.231 -1.959 6.875 1.00 52.13 O ATOM 73 CB THR A 4 -10.832 -5.372 7.407 1.00 73.15 C ATOM 74 OG1 THR A 4 -9.416 -5.234 7.334 1.00 53.12 O ATOM 75 CG2 THR A 4 -11.094 -6.798 6.920 1.00 74.44 C ATOM 0 HA THR A 4 -12.397 -4.103 6.692 1.00 1.20 H new ATOM 0 HB THR A 4 -11.296 -5.231 8.383 1.00 73.15 H new ATOM 0 HG1 THR A 4 -9.099 -5.567 6.469 1.00 53.12 H new ATOM 0 HG21 THR A 4 -10.700 -7.509 7.647 1.00 74.44 H new ATOM 0 HG22 THR A 4 -12.167 -6.952 6.806 1.00 74.44 H new ATOM 0 HG23 THR A 4 -10.601 -6.951 5.960 1.00 74.44 H new ATOM 83 N PHE A 5 -9.338 -3.019 6.239 1.00 11.00 N ATOM 84 CA PHE A 5 -8.517 -1.820 6.293 1.00 22.31 C ATOM 85 C PHE A 5 -8.677 -0.988 5.018 1.00 41.51 C ATOM 86 O PHE A 5 -8.304 0.183 4.988 1.00 44.32 O ATOM 87 CB PHE A 5 -7.061 -2.281 6.407 1.00 64.21 C ATOM 88 CG PHE A 5 -6.041 -1.143 6.327 1.00 65.11 C ATOM 89 CD1 PHE A 5 -5.780 -0.384 7.426 1.00 10.12 C ATOM 90 CD2 PHE A 5 -5.395 -0.891 5.158 1.00 75.11 C ATOM 91 CE1 PHE A 5 -4.834 0.672 7.351 1.00 0.14 C ATOM 92 CE2 PHE A 5 -4.448 0.165 5.083 1.00 33.11 C ATOM 93 CZ PHE A 5 -4.188 0.923 6.181 1.00 2.25 C ATOM 0 H PHE A 5 -8.841 -3.864 5.959 1.00 11.00 H new ATOM 0 HA PHE A 5 -8.816 -1.201 7.139 1.00 22.31 H new ATOM 0 HB2 PHE A 5 -6.930 -2.807 7.353 1.00 64.21 H new ATOM 0 HB3 PHE A 5 -6.854 -2.998 5.612 1.00 64.21 H new ATOM 0 HD1 PHE A 5 -6.292 -0.585 8.355 1.00 10.12 H new ATOM 0 HD2 PHE A 5 -5.602 -1.494 4.286 1.00 75.11 H new ATOM 0 HE1 PHE A 5 -4.628 1.276 8.223 1.00 0.14 H new ATOM 0 HE2 PHE A 5 -3.935 0.366 4.154 1.00 33.11 H new ATOM 0 HZ PHE A 5 -3.468 1.726 6.124 1.00 2.25 H new ATOM 103 N LYS A 6 -9.231 -1.627 3.999 1.00 54.43 N ATOM 104 CA LYS A 6 -9.445 -0.959 2.726 1.00 61.10 C ATOM 105 C LYS A 6 -10.913 -0.541 2.614 1.00 23.11 C ATOM 106 O LYS A 6 -11.232 0.445 1.952 1.00 53.24 O ATOM 107 CB LYS A 6 -8.968 -1.844 1.572 1.00 72.11 C ATOM 108 CG LYS A 6 -9.211 -1.161 0.223 1.00 41.42 C ATOM 109 CD LYS A 6 -8.290 0.049 0.046 1.00 55.05 C ATOM 110 CE LYS A 6 -6.862 -0.281 0.487 1.00 11.24 C ATOM 111 NZ LYS A 6 -6.677 0.036 1.920 1.00 41.43 N ATOM 0 H LYS A 6 -9.538 -2.599 4.028 1.00 54.43 H new ATOM 0 HA LYS A 6 -8.849 -0.048 2.668 1.00 61.10 H new ATOM 0 HB2 LYS A 6 -7.906 -2.060 1.689 1.00 72.11 H new ATOM 0 HB3 LYS A 6 -9.492 -2.799 1.600 1.00 72.11 H new ATOM 0 HG2 LYS A 6 -9.041 -1.873 -0.585 1.00 41.42 H new ATOM 0 HG3 LYS A 6 -10.251 -0.843 0.154 1.00 41.42 H new ATOM 0 HD2 LYS A 6 -8.289 0.361 -0.999 1.00 55.05 H new ATOM 0 HD3 LYS A 6 -8.670 0.888 0.629 1.00 55.05 H new ATOM 0 HE2 LYS A 6 -6.656 -1.337 0.312 1.00 11.24 H new ATOM 0 HE3 LYS A 6 -6.150 0.286 -0.112 1.00 11.24 H new ATOM 0 HZ1 LYS A 6 -5.699 0.350 2.083 1.00 41.43 H new ATOM 0 HZ2 LYS A 6 -7.334 0.793 2.196 1.00 41.43 H new ATOM 0 HZ3 LYS A 6 -6.868 -0.812 2.491 1.00 41.43 H new ATOM 125 N SER A 7 -11.765 -1.310 3.274 1.00 32.24 N ATOM 126 CA SER A 7 -13.192 -1.033 3.256 1.00 10.10 C ATOM 127 C SER A 7 -13.523 0.064 4.273 1.00 13.42 C ATOM 128 O SER A 7 -14.690 0.389 4.481 1.00 63.35 O ATOM 129 CB SER A 7 -14.004 -2.295 3.555 1.00 44.33 C ATOM 130 OG SER A 7 -15.069 -2.042 4.466 1.00 52.21 O ATOM 0 H SER A 7 -11.496 -2.125 3.825 1.00 32.24 H new ATOM 0 HA SER A 7 -13.461 -0.690 2.257 1.00 10.10 H new ATOM 0 HB2 SER A 7 -14.410 -2.694 2.625 1.00 44.33 H new ATOM 0 HB3 SER A 7 -13.346 -3.059 3.969 1.00 44.33 H new ATOM 0 HG SER A 7 -15.484 -1.180 4.253 1.00 52.21 H new ATOM 136 N GLU A 8 -12.474 0.602 4.877 1.00 33.03 N ATOM 137 CA GLU A 8 -12.638 1.654 5.865 1.00 53.01 C ATOM 138 C GLU A 8 -12.810 3.009 5.175 1.00 75.05 C ATOM 139 O GLU A 8 -13.822 3.683 5.365 1.00 11.10 O ATOM 140 CB GLU A 8 -11.457 1.682 6.838 1.00 50.33 C ATOM 141 CG GLU A 8 -11.594 2.836 7.834 1.00 33.05 C ATOM 142 CD GLU A 8 -10.257 3.133 8.515 1.00 44.11 C ATOM 143 OE1 GLU A 8 -9.292 2.372 8.347 1.00 71.32 O ATOM 144 OE2 GLU A 8 -10.239 4.200 9.239 1.00 31.12 O ATOM 0 H GLU A 8 -11.507 0.329 4.701 1.00 33.03 H new ATOM 0 HA GLU A 8 -13.538 1.445 6.443 1.00 53.01 H new ATOM 0 HB2 GLU A 8 -11.403 0.736 7.377 1.00 50.33 H new ATOM 0 HB3 GLU A 8 -10.525 1.786 6.282 1.00 50.33 H new ATOM 0 HG2 GLU A 8 -11.949 3.727 7.317 1.00 33.05 H new ATOM 0 HG3 GLU A 8 -12.342 2.585 8.586 1.00 33.05 H new ATOM 152 N TYR A 9 -11.808 3.368 4.387 1.00 11.51 N ATOM 153 CA TYR A 9 -11.835 4.631 3.668 1.00 34.03 C ATOM 154 C TYR A 9 -11.748 4.403 2.157 1.00 13.04 C ATOM 155 O TYR A 9 -11.409 3.309 1.709 1.00 20.14 O ATOM 156 CB TYR A 9 -10.598 5.405 4.128 1.00 23.45 C ATOM 157 CG TYR A 9 -9.363 4.530 4.347 1.00 45.31 C ATOM 158 CD1 TYR A 9 -9.274 3.730 5.468 1.00 31.32 C ATOM 159 CD2 TYR A 9 -8.337 4.542 3.425 1.00 32.35 C ATOM 160 CE1 TYR A 9 -8.112 2.908 5.676 1.00 14.01 C ATOM 161 CE2 TYR A 9 -7.172 3.719 3.632 1.00 14.04 C ATOM 162 CZ TYR A 9 -7.117 2.942 4.747 1.00 24.23 C ATOM 163 OH TYR A 9 -6.019 2.165 4.943 1.00 62.13 O ATOM 0 H TYR A 9 -10.971 2.806 4.230 1.00 11.51 H new ATOM 0 HA TYR A 9 -12.762 5.168 3.869 1.00 34.03 H new ATOM 0 HB2 TYR A 9 -10.363 6.168 3.386 1.00 23.45 H new ATOM 0 HB3 TYR A 9 -10.832 5.925 5.057 1.00 23.45 H new ATOM 0 HD1 TYR A 9 -10.077 3.721 6.190 1.00 31.32 H new ATOM 0 HD2 TYR A 9 -8.407 5.168 2.548 1.00 32.35 H new ATOM 0 HE1 TYR A 9 -8.031 2.278 6.549 1.00 14.01 H new ATOM 0 HE2 TYR A 9 -6.361 3.719 2.918 1.00 14.04 H new ATOM 0 HH TYR A 9 -5.884 2.026 5.904 1.00 62.13 H new ATOM 173 N PRO A 10 -12.067 5.482 1.394 1.00 21.33 N ATOM 174 CA PRO A 10 -12.028 5.410 -0.057 1.00 5.43 C ATOM 175 C PRO A 10 -10.587 5.432 -0.569 1.00 23.30 C ATOM 176 O PRO A 10 -9.645 5.511 0.220 1.00 24.20 O ATOM 177 CB PRO A 10 -12.845 6.600 -0.532 1.00 2.54 C ATOM 178 CG PRO A 10 -12.921 7.552 0.651 1.00 23.32 C ATOM 179 CD PRO A 10 -12.473 6.793 1.889 1.00 44.44 C ATOM 0 HA PRO A 10 -12.443 4.479 -0.443 1.00 5.43 H new ATOM 0 HB2 PRO A 10 -12.374 7.080 -1.390 1.00 2.54 H new ATOM 0 HB3 PRO A 10 -13.841 6.289 -0.848 1.00 2.54 H new ATOM 0 HG2 PRO A 10 -12.284 8.420 0.484 1.00 23.32 H new ATOM 0 HG3 PRO A 10 -13.938 7.923 0.778 1.00 23.32 H new ATOM 0 HD2 PRO A 10 -11.647 7.301 2.388 1.00 44.44 H new ATOM 0 HD3 PRO A 10 -13.281 6.709 2.616 1.00 44.44 H new ATOM 187 N PHE A 11 -10.458 5.359 -1.885 1.00 12.11 N ATOM 188 CA PHE A 11 -9.146 5.370 -2.511 1.00 25.15 C ATOM 189 C PHE A 11 -8.479 6.738 -2.360 1.00 3.34 C ATOM 190 O PHE A 11 -7.291 6.823 -2.051 1.00 13.02 O ATOM 191 CB PHE A 11 -9.359 5.081 -3.998 1.00 73.12 C ATOM 192 CG PHE A 11 -8.153 5.422 -4.877 1.00 53.51 C ATOM 193 CD1 PHE A 11 -7.881 6.718 -5.184 1.00 3.24 C ATOM 194 CD2 PHE A 11 -7.354 4.429 -5.352 1.00 64.31 C ATOM 195 CE1 PHE A 11 -6.763 7.036 -5.999 1.00 60.21 C ATOM 196 CE2 PHE A 11 -6.236 4.745 -6.166 1.00 0.24 C ATOM 197 CZ PHE A 11 -5.964 6.041 -6.473 1.00 72.02 C ATOM 0 H PHE A 11 -11.240 5.292 -2.536 1.00 12.11 H new ATOM 0 HA PHE A 11 -8.502 4.628 -2.040 1.00 25.15 H new ATOM 0 HB2 PHE A 11 -9.599 4.025 -4.122 1.00 73.12 H new ATOM 0 HB3 PHE A 11 -10.222 5.647 -4.348 1.00 73.12 H new ATOM 0 HD1 PHE A 11 -8.516 7.506 -4.808 1.00 3.24 H new ATOM 0 HD2 PHE A 11 -7.571 3.399 -5.109 1.00 64.31 H new ATOM 0 HE1 PHE A 11 -6.547 8.066 -6.243 1.00 60.21 H new ATOM 0 HE2 PHE A 11 -5.601 3.956 -6.542 1.00 0.24 H new ATOM 0 HZ PHE A 11 -5.113 6.281 -7.093 1.00 72.02 H new ATOM 207 N GLU A 12 -9.270 7.776 -2.586 1.00 32.21 N ATOM 208 CA GLU A 12 -8.770 9.136 -2.480 1.00 43.50 C ATOM 209 C GLU A 12 -8.209 9.387 -1.078 1.00 41.32 C ATOM 210 O GLU A 12 -7.481 10.354 -0.862 1.00 72.13 O ATOM 211 CB GLU A 12 -9.863 10.150 -2.822 1.00 61.12 C ATOM 212 CG GLU A 12 -9.801 10.546 -4.298 1.00 72.25 C ATOM 213 CD GLU A 12 -10.965 11.468 -4.668 1.00 53.25 C ATOM 214 OE1 GLU A 12 -11.959 11.540 -3.929 1.00 30.14 O ATOM 215 OE2 GLU A 12 -10.811 12.126 -5.766 1.00 20.32 O ATOM 0 H GLU A 12 -10.255 7.703 -2.842 1.00 32.21 H new ATOM 0 HA GLU A 12 -7.963 9.263 -3.202 1.00 43.50 H new ATOM 0 HB2 GLU A 12 -10.841 9.725 -2.597 1.00 61.12 H new ATOM 0 HB3 GLU A 12 -9.749 11.037 -2.199 1.00 61.12 H new ATOM 0 HG2 GLU A 12 -8.855 11.048 -4.504 1.00 72.25 H new ATOM 0 HG3 GLU A 12 -9.829 9.651 -4.920 1.00 72.25 H new ATOM 223 N LYS A 13 -8.570 8.498 -0.164 1.00 5.43 N ATOM 224 CA LYS A 13 -8.109 8.611 1.210 1.00 64.41 C ATOM 225 C LYS A 13 -6.871 7.735 1.403 1.00 40.34 C ATOM 226 O LYS A 13 -5.868 8.184 1.956 1.00 3.22 O ATOM 227 CB LYS A 13 -9.246 8.291 2.183 1.00 65.01 C ATOM 228 CG LYS A 13 -8.732 8.215 3.621 1.00 14.12 C ATOM 229 CD LYS A 13 -8.325 9.598 4.132 1.00 72.31 C ATOM 230 CE LYS A 13 -9.365 10.149 5.110 1.00 2.41 C ATOM 231 NZ LYS A 13 -8.983 11.506 5.562 1.00 34.20 N ATOM 0 H LYS A 13 -9.175 7.698 -0.347 1.00 5.43 H new ATOM 0 HA LYS A 13 -7.810 9.636 1.428 1.00 64.41 H new ATOM 0 HB2 LYS A 13 -10.019 9.056 2.109 1.00 65.01 H new ATOM 0 HB3 LYS A 13 -9.709 7.343 1.908 1.00 65.01 H new ATOM 0 HG2 LYS A 13 -9.506 7.798 4.266 1.00 14.12 H new ATOM 0 HG3 LYS A 13 -7.878 7.539 3.670 1.00 14.12 H new ATOM 0 HD2 LYS A 13 -7.354 9.537 4.624 1.00 72.31 H new ATOM 0 HD3 LYS A 13 -8.213 10.282 3.291 1.00 72.31 H new ATOM 0 HE2 LYS A 13 -10.343 10.181 4.630 1.00 2.41 H new ATOM 0 HE3 LYS A 13 -9.453 9.484 5.969 1.00 2.41 H new ATOM 0 HZ1 LYS A 13 -9.699 11.865 6.225 1.00 34.20 H new ATOM 0 HZ2 LYS A 13 -8.059 11.466 6.038 1.00 34.20 H new ATOM 0 HZ3 LYS A 13 -8.922 12.141 4.741 1.00 34.20 H new ATOM 245 N ARG A 14 -6.980 6.500 0.936 1.00 61.35 N ATOM 246 CA ARG A 14 -5.881 5.557 1.050 1.00 70.54 C ATOM 247 C ARG A 14 -4.679 6.040 0.234 1.00 72.40 C ATOM 248 O ARG A 14 -3.541 5.672 0.522 1.00 21.25 O ATOM 249 CB ARG A 14 -6.294 4.167 0.560 1.00 65.45 C ATOM 250 CG ARG A 14 -6.117 4.044 -0.955 1.00 13.40 C ATOM 251 CD ARG A 14 -4.754 3.438 -1.299 1.00 22.22 C ATOM 252 NE ARG A 14 -4.660 2.064 -0.759 1.00 41.21 N ATOM 253 CZ ARG A 14 -4.095 1.754 0.427 1.00 43.14 C ATOM 254 NH1 ARG A 14 -3.567 2.721 1.208 1.00 33.03 N ATOM 255 NH2 ARG A 14 -4.065 0.491 0.812 1.00 2.22 N ATOM 0 H ARG A 14 -7.813 6.131 0.478 1.00 61.35 H new ATOM 0 HA ARG A 14 -5.608 5.493 2.103 1.00 70.54 H new ATOM 0 HB2 ARG A 14 -5.695 3.408 1.062 1.00 65.45 H new ATOM 0 HB3 ARG A 14 -7.334 3.979 0.825 1.00 65.45 H new ATOM 0 HG2 ARG A 14 -6.911 3.422 -1.368 1.00 13.40 H new ATOM 0 HG3 ARG A 14 -6.209 5.027 -1.417 1.00 13.40 H new ATOM 0 HD2 ARG A 14 -4.616 3.423 -2.380 1.00 22.22 H new ATOM 0 HD3 ARG A 14 -3.957 4.056 -0.885 1.00 22.22 H new ATOM 0 HE ARG A 14 -5.046 1.303 -1.318 1.00 41.21 H new ATOM 0 HH11 ARG A 14 -3.593 3.694 0.903 1.00 33.03 H new ATOM 0 HH12 ARG A 14 -3.142 2.478 2.103 1.00 33.03 H new ATOM 0 HH21 ARG A 14 -4.465 -0.234 0.216 1.00 2.22 H new ATOM 0 HH22 ARG A 14 -3.642 0.240 1.705 1.00 2.22 H new ATOM 269 N LYS A 15 -4.975 6.855 -0.768 1.00 2.20 N ATOM 270 CA LYS A 15 -3.933 7.393 -1.626 1.00 31.35 C ATOM 271 C LYS A 15 -3.163 8.476 -0.870 1.00 5.31 C ATOM 272 O LYS A 15 -1.934 8.516 -0.915 1.00 31.23 O ATOM 273 CB LYS A 15 -4.528 7.873 -2.952 1.00 63.02 C ATOM 274 CG LYS A 15 -5.166 9.255 -2.799 1.00 33.43 C ATOM 275 CD LYS A 15 -5.730 9.749 -4.133 1.00 1.00 C ATOM 276 CE LYS A 15 -6.369 11.130 -3.979 1.00 21.04 C ATOM 277 NZ LYS A 15 -6.770 11.666 -5.299 1.00 61.42 N ATOM 0 H LYS A 15 -5.921 7.156 -1.005 1.00 2.20 H new ATOM 0 HA LYS A 15 -3.215 6.616 -1.887 1.00 31.35 H new ATOM 0 HB2 LYS A 15 -3.748 7.911 -3.712 1.00 63.02 H new ATOM 0 HB3 LYS A 15 -5.276 7.160 -3.298 1.00 63.02 H new ATOM 0 HG2 LYS A 15 -5.963 9.211 -2.057 1.00 33.43 H new ATOM 0 HG3 LYS A 15 -4.424 9.963 -2.429 1.00 33.43 H new ATOM 0 HD2 LYS A 15 -4.933 9.794 -4.875 1.00 1.00 H new ATOM 0 HD3 LYS A 15 -6.471 9.041 -4.504 1.00 1.00 H new ATOM 0 HE2 LYS A 15 -7.240 11.063 -3.327 1.00 21.04 H new ATOM 0 HE3 LYS A 15 -5.665 11.812 -3.502 1.00 21.04 H new ATOM 0 HZ1 LYS A 15 -7.378 12.499 -5.165 1.00 61.42 H new ATOM 0 HZ2 LYS A 15 -5.922 11.939 -5.835 1.00 61.42 H new ATOM 0 HZ3 LYS A 15 -7.293 10.937 -5.825 1.00 61.42 H new ATOM 291 N ALA A 16 -3.916 9.329 -0.192 1.00 43.45 N ATOM 292 CA ALA A 16 -3.319 10.411 0.573 1.00 33.41 C ATOM 293 C ALA A 16 -2.341 9.827 1.595 1.00 52.13 C ATOM 294 O ALA A 16 -1.442 10.521 2.066 1.00 11.03 O ATOM 295 CB ALA A 16 -4.422 11.241 1.231 1.00 50.03 C ATOM 0 H ALA A 16 -4.935 9.293 -0.156 1.00 43.45 H new ATOM 0 HA ALA A 16 -2.756 11.077 -0.080 1.00 33.41 H new ATOM 0 HB1 ALA A 16 -3.974 12.052 1.805 1.00 50.03 H new ATOM 0 HB2 ALA A 16 -5.073 11.657 0.462 1.00 50.03 H new ATOM 0 HB3 ALA A 16 -5.007 10.606 1.897 1.00 50.03 H new ATOM 301 N GLU A 17 -2.551 8.557 1.910 1.00 45.42 N ATOM 302 CA GLU A 17 -1.700 7.872 2.867 1.00 11.22 C ATOM 303 C GLU A 17 -0.327 7.592 2.252 1.00 13.51 C ATOM 304 O GLU A 17 0.701 7.859 2.873 1.00 44.12 O ATOM 305 CB GLU A 17 -2.356 6.580 3.357 1.00 32.21 C ATOM 306 CG GLU A 17 -1.412 5.801 4.276 1.00 41.44 C ATOM 307 CD GLU A 17 -0.902 6.685 5.415 1.00 1.55 C ATOM 308 OE1 GLU A 17 -0.194 7.672 5.166 1.00 64.25 O ATOM 309 OE2 GLU A 17 -1.269 6.318 6.597 1.00 63.21 O ATOM 0 H GLU A 17 -3.299 7.985 1.519 1.00 45.42 H new ATOM 0 HA GLU A 17 -1.563 8.521 3.732 1.00 11.22 H new ATOM 0 HB2 GLU A 17 -3.277 6.815 3.890 1.00 32.21 H new ATOM 0 HB3 GLU A 17 -2.631 5.961 2.503 1.00 32.21 H new ATOM 0 HG2 GLU A 17 -1.931 4.936 4.687 1.00 41.44 H new ATOM 0 HG3 GLU A 17 -0.568 5.422 3.699 1.00 41.44 H new ATOM 317 N SER A 18 -0.355 7.061 1.040 1.00 32.43 N ATOM 318 CA SER A 18 0.874 6.741 0.333 1.00 63.41 C ATOM 319 C SER A 18 1.613 8.029 -0.039 1.00 73.40 C ATOM 320 O SER A 18 2.768 7.987 -0.456 1.00 73.04 O ATOM 321 CB SER A 18 0.590 5.910 -0.920 1.00 72.20 C ATOM 322 OG SER A 18 -0.479 6.453 -1.689 1.00 23.24 O ATOM 0 H SER A 18 -1.210 6.844 0.528 1.00 32.43 H new ATOM 0 HA SER A 18 1.504 6.146 0.994 1.00 63.41 H new ATOM 0 HB2 SER A 18 1.489 5.860 -1.534 1.00 72.20 H new ATOM 0 HB3 SER A 18 0.345 4.888 -0.630 1.00 72.20 H new ATOM 0 HG SER A 18 -0.281 6.349 -2.643 1.00 23.24 H new ATOM 328 N GLU A 19 0.913 9.142 0.125 1.00 72.31 N ATOM 329 CA GLU A 19 1.488 10.440 -0.189 1.00 1.34 C ATOM 330 C GLU A 19 2.440 10.882 0.924 1.00 3.30 C ATOM 331 O GLU A 19 3.365 11.657 0.683 1.00 22.02 O ATOM 332 CB GLU A 19 0.392 11.482 -0.421 1.00 51.31 C ATOM 333 CG GLU A 19 -0.215 11.339 -1.817 1.00 25.43 C ATOM 334 CD GLU A 19 0.524 12.216 -2.829 1.00 10.12 C ATOM 335 OE1 GLU A 19 1.650 11.884 -3.231 1.00 65.44 O ATOM 336 OE2 GLU A 19 -0.111 13.274 -3.200 1.00 13.54 O ATOM 0 H GLU A 19 -0.046 9.172 0.471 1.00 72.31 H new ATOM 0 HA GLU A 19 2.059 10.350 -1.113 1.00 1.34 H new ATOM 0 HB2 GLU A 19 -0.388 11.368 0.332 1.00 51.31 H new ATOM 0 HB3 GLU A 19 0.806 12.483 -0.302 1.00 51.31 H new ATOM 0 HG2 GLU A 19 -0.169 10.297 -2.132 1.00 25.43 H new ATOM 0 HG3 GLU A 19 -1.268 11.618 -1.790 1.00 25.43 H new ATOM 344 N ARG A 20 2.182 10.371 2.118 1.00 64.42 N ATOM 345 CA ARG A 20 3.004 10.703 3.269 1.00 61.32 C ATOM 346 C ARG A 20 3.975 9.559 3.576 1.00 72.54 C ATOM 347 O ARG A 20 5.095 9.797 4.025 1.00 12.42 O ATOM 348 CB ARG A 20 2.142 10.975 4.503 1.00 21.21 C ATOM 349 CG ARG A 20 0.946 11.863 4.151 1.00 4.23 C ATOM 350 CD ARG A 20 0.017 12.034 5.353 1.00 54.55 C ATOM 351 NE ARG A 20 -0.527 10.718 5.763 1.00 51.32 N ATOM 352 CZ ARG A 20 -1.534 10.559 6.647 1.00 55.13 C ATOM 353 NH1 ARG A 20 -2.119 11.631 7.221 1.00 61.44 N ATOM 354 NH2 ARG A 20 -1.941 9.337 6.941 1.00 74.03 N ATOM 0 H ARG A 20 1.414 9.729 2.314 1.00 64.42 H new ATOM 0 HA ARG A 20 3.565 11.606 3.026 1.00 61.32 H new ATOM 0 HB2 ARG A 20 1.789 10.032 4.920 1.00 21.21 H new ATOM 0 HB3 ARG A 20 2.744 11.458 5.273 1.00 21.21 H new ATOM 0 HG2 ARG A 20 1.299 12.839 3.818 1.00 4.23 H new ATOM 0 HG3 ARG A 20 0.394 11.423 3.320 1.00 4.23 H new ATOM 0 HD2 ARG A 20 0.561 12.486 6.182 1.00 54.55 H new ATOM 0 HD3 ARG A 20 -0.799 12.711 5.099 1.00 54.55 H new ATOM 0 HE ARG A 20 -0.115 9.881 5.352 1.00 51.32 H new ATOM 0 HH11 ARG A 20 -1.801 12.572 6.988 1.00 61.44 H new ATOM 0 HH12 ARG A 20 -2.880 11.501 7.888 1.00 61.44 H new ATOM 0 HH21 ARG A 20 -1.495 8.532 6.502 1.00 74.03 H new ATOM 0 HH22 ARG A 20 -2.701 9.199 7.607 1.00 74.03 H new ATOM 368 N ILE A 21 3.508 8.346 3.321 1.00 62.20 N ATOM 369 CA ILE A 21 4.321 7.167 3.565 1.00 14.54 C ATOM 370 C ILE A 21 5.597 7.249 2.724 1.00 33.24 C ATOM 371 O ILE A 21 6.598 6.608 3.043 1.00 12.23 O ATOM 372 CB ILE A 21 3.505 5.895 3.322 1.00 70.13 C ATOM 373 CG1 ILE A 21 2.666 5.538 4.551 1.00 52.51 C ATOM 374 CG2 ILE A 21 4.410 4.739 2.889 1.00 40.52 C ATOM 375 CD1 ILE A 21 1.897 4.234 4.330 1.00 64.42 C ATOM 0 H ILE A 21 2.578 8.154 2.948 1.00 62.20 H new ATOM 0 HA ILE A 21 4.630 7.126 4.610 1.00 14.54 H new ATOM 0 HB ILE A 21 2.811 6.085 2.504 1.00 70.13 H new ATOM 0 HG12 ILE A 21 3.314 5.439 5.422 1.00 52.51 H new ATOM 0 HG13 ILE A 21 1.966 6.346 4.765 1.00 52.51 H new ATOM 0 HG21 ILE A 21 3.806 3.847 2.723 1.00 40.52 H new ATOM 0 HG22 ILE A 21 4.925 5.006 1.966 1.00 40.52 H new ATOM 0 HG23 ILE A 21 5.144 4.540 3.670 1.00 40.52 H new ATOM 0 HD11 ILE A 21 1.309 4.003 5.218 1.00 64.42 H new ATOM 0 HD12 ILE A 21 1.232 4.344 3.473 1.00 64.42 H new ATOM 0 HD13 ILE A 21 2.601 3.424 4.141 1.00 64.42 H new ATOM 387 N ALA A 22 5.520 8.043 1.666 1.00 53.32 N ATOM 388 CA ALA A 22 6.657 8.218 0.779 1.00 24.25 C ATOM 389 C ALA A 22 7.660 9.177 1.422 1.00 24.12 C ATOM 390 O ALA A 22 8.842 9.164 1.083 1.00 11.34 O ATOM 391 CB ALA A 22 6.169 8.714 -0.584 1.00 5.11 C ATOM 0 H ALA A 22 4.688 8.572 1.403 1.00 53.32 H new ATOM 0 HA ALA A 22 7.167 7.268 0.618 1.00 24.25 H new ATOM 0 HB1 ALA A 22 7.022 8.846 -1.250 1.00 5.11 H new ATOM 0 HB2 ALA A 22 5.483 7.983 -1.013 1.00 5.11 H new ATOM 0 HB3 ALA A 22 5.654 9.667 -0.461 1.00 5.11 H new ATOM 397 N ASP A 23 7.151 9.985 2.340 1.00 25.10 N ATOM 398 CA ASP A 23 7.988 10.949 3.035 1.00 52.05 C ATOM 399 C ASP A 23 8.444 10.355 4.370 1.00 73.32 C ATOM 400 O ASP A 23 9.361 10.873 5.003 1.00 52.31 O ATOM 401 CB ASP A 23 7.216 12.237 3.331 1.00 42.33 C ATOM 402 CG ASP A 23 8.056 13.374 3.915 1.00 74.04 C ATOM 403 OD1 ASP A 23 7.744 13.914 4.987 1.00 25.13 O ATOM 404 OD2 ASP A 23 9.084 13.710 3.211 1.00 10.42 O ATOM 0 H ASP A 23 6.170 9.992 2.619 1.00 25.10 H new ATOM 0 HA ASP A 23 8.840 11.177 2.395 1.00 52.05 H new ATOM 0 HB2 ASP A 23 6.752 12.585 2.408 1.00 42.33 H new ATOM 0 HB3 ASP A 23 6.409 12.007 4.027 1.00 42.33 H new ATOM 410 N ARG A 24 7.784 9.273 4.755 1.00 2.03 N ATOM 411 CA ARG A 24 8.110 8.601 6.001 1.00 72.20 C ATOM 412 C ARG A 24 9.031 7.409 5.737 1.00 42.41 C ATOM 413 O ARG A 24 10.145 7.356 6.255 1.00 42.21 O ATOM 414 CB ARG A 24 6.845 8.112 6.711 1.00 3.23 C ATOM 415 CG ARG A 24 6.155 9.257 7.454 1.00 41.44 C ATOM 416 CD ARG A 24 5.724 8.821 8.855 1.00 53.35 C ATOM 417 NE ARG A 24 4.788 7.679 8.764 1.00 3.11 N ATOM 418 CZ ARG A 24 4.465 6.879 9.802 1.00 64.41 C ATOM 419 NH1 ARG A 24 5.003 7.091 11.024 1.00 24.30 N ATOM 420 NH2 ARG A 24 3.617 5.887 9.608 1.00 54.54 N ATOM 0 H ARG A 24 7.025 8.845 4.226 1.00 2.03 H new ATOM 0 HA ARG A 24 8.618 9.321 6.642 1.00 72.20 H new ATOM 0 HB2 ARG A 24 6.159 7.681 5.982 1.00 3.23 H new ATOM 0 HB3 ARG A 24 7.102 7.320 7.414 1.00 3.23 H new ATOM 0 HG2 ARG A 24 6.832 10.108 7.526 1.00 41.44 H new ATOM 0 HG3 ARG A 24 5.284 9.589 6.889 1.00 41.44 H new ATOM 0 HD2 ARG A 24 6.598 8.539 9.442 1.00 53.35 H new ATOM 0 HD3 ARG A 24 5.247 9.653 9.373 1.00 53.35 H new ATOM 0 HE ARG A 24 4.359 7.484 7.859 1.00 3.11 H new ATOM 0 HH11 ARG A 24 5.658 7.860 11.166 1.00 24.30 H new ATOM 0 HH12 ARG A 24 4.754 6.482 11.803 1.00 24.30 H new ATOM 0 HH21 ARG A 24 3.215 5.733 8.683 1.00 54.54 H new ATOM 0 HH22 ARG A 24 3.363 5.274 10.383 1.00 54.54 H new ATOM 434 N PHE A 25 8.532 6.482 4.932 1.00 64.32 N ATOM 435 CA PHE A 25 9.297 5.295 4.593 1.00 21.45 C ATOM 436 C PHE A 25 9.398 5.121 3.076 1.00 22.31 C ATOM 437 O PHE A 25 8.597 4.406 2.476 1.00 4.20 O ATOM 438 CB PHE A 25 8.549 4.098 5.182 1.00 21.33 C ATOM 439 CG PHE A 25 7.860 4.391 6.518 1.00 40.00 C ATOM 440 CD1 PHE A 25 8.597 4.496 7.654 1.00 31.32 C ATOM 441 CD2 PHE A 25 6.509 4.544 6.565 1.00 62.14 C ATOM 442 CE1 PHE A 25 7.957 4.769 8.893 1.00 64.13 C ATOM 443 CE2 PHE A 25 5.869 4.817 7.803 1.00 33.12 C ATOM 444 CZ PHE A 25 6.606 4.923 8.941 1.00 35.34 C ATOM 0 H PHE A 25 7.607 6.530 4.505 1.00 64.32 H new ATOM 0 HA PHE A 25 10.309 5.379 4.990 1.00 21.45 H new ATOM 0 HB2 PHE A 25 7.800 3.762 4.465 1.00 21.33 H new ATOM 0 HB3 PHE A 25 9.251 3.276 5.319 1.00 21.33 H new ATOM 0 HD1 PHE A 25 9.669 4.372 7.616 1.00 31.32 H new ATOM 0 HD2 PHE A 25 5.924 4.458 5.661 1.00 62.14 H new ATOM 0 HE1 PHE A 25 8.543 4.854 9.796 1.00 64.13 H new ATOM 0 HE2 PHE A 25 4.797 4.940 7.841 1.00 33.12 H new ATOM 0 HZ PHE A 25 6.119 5.129 9.883 1.00 35.34 H new ATOM 454 N PRO A 26 10.412 5.806 2.485 1.00 41.11 N ATOM 455 CA PRO A 26 10.627 5.736 1.051 1.00 13.25 C ATOM 456 C PRO A 26 11.254 4.397 0.655 1.00 62.02 C ATOM 457 O PRO A 26 11.076 3.932 -0.469 1.00 74.20 O ATOM 458 CB PRO A 26 11.514 6.927 0.725 1.00 14.12 C ATOM 459 CG PRO A 26 12.142 7.349 2.044 1.00 11.53 C ATOM 460 CD PRO A 26 11.378 6.664 3.165 1.00 22.31 C ATOM 0 HA PRO A 26 9.697 5.784 0.485 1.00 13.25 H new ATOM 0 HB2 PRO A 26 12.279 6.657 -0.004 1.00 14.12 H new ATOM 0 HB3 PRO A 26 10.933 7.740 0.291 1.00 14.12 H new ATOM 0 HG2 PRO A 26 13.195 7.068 2.073 1.00 11.53 H new ATOM 0 HG3 PRO A 26 12.098 8.432 2.158 1.00 11.53 H new ATOM 0 HD2 PRO A 26 12.045 6.082 3.801 1.00 22.31 H new ATOM 0 HD3 PRO A 26 10.879 7.391 3.806 1.00 22.31 H new ATOM 468 N ASN A 27 11.976 3.816 1.603 1.00 3.54 N ATOM 469 CA ASN A 27 12.630 2.540 1.367 1.00 53.31 C ATOM 470 C ASN A 27 11.701 1.406 1.806 1.00 42.04 C ATOM 471 O ASN A 27 12.159 0.389 2.325 1.00 41.30 O ATOM 472 CB ASN A 27 13.926 2.429 2.174 1.00 71.12 C ATOM 473 CG ASN A 27 13.716 2.894 3.616 1.00 53.14 C ATOM 474 OD1 ASN A 27 12.703 2.625 4.241 1.00 72.44 O ATOM 475 ND2 ASN A 27 14.726 3.605 4.107 1.00 54.31 N ATOM 0 H ASN A 27 12.122 4.205 2.535 1.00 3.54 H new ATOM 0 HA ASN A 27 12.859 2.470 0.304 1.00 53.31 H new ATOM 0 HB2 ASN A 27 14.275 1.396 2.168 1.00 71.12 H new ATOM 0 HB3 ASN A 27 14.704 3.031 1.704 1.00 71.12 H new ATOM 0 HD21 ASN A 27 14.682 3.962 5.062 1.00 54.31 H new ATOM 0 HD22 ASN A 27 15.545 3.794 3.529 1.00 54.31 H new ATOM 482 N ARG A 28 10.413 1.620 1.582 1.00 14.04 N ATOM 483 CA ARG A 28 9.415 0.628 1.949 1.00 70.34 C ATOM 484 C ARG A 28 8.599 0.218 0.721 1.00 20.11 C ATOM 485 O ARG A 28 8.780 0.771 -0.362 1.00 11.54 O ATOM 486 CB ARG A 28 8.469 1.170 3.023 1.00 32.42 C ATOM 487 CG ARG A 28 9.019 0.896 4.424 1.00 75.13 C ATOM 488 CD ARG A 28 8.962 -0.597 4.753 1.00 41.41 C ATOM 489 NE ARG A 28 10.072 -0.958 5.663 1.00 33.42 N ATOM 490 CZ ARG A 28 10.181 -0.523 6.936 1.00 25.54 C ATOM 491 NH1 ARG A 28 9.244 0.295 7.462 1.00 25.31 N ATOM 492 NH2 ARG A 28 11.216 -0.907 7.659 1.00 71.52 N ATOM 0 H ARG A 28 10.037 2.465 1.151 1.00 14.04 H new ATOM 0 HA ARG A 28 9.940 -0.240 2.348 1.00 70.34 H new ATOM 0 HB2 ARG A 28 8.332 2.243 2.885 1.00 32.42 H new ATOM 0 HB3 ARG A 28 7.488 0.707 2.916 1.00 32.42 H new ATOM 0 HG2 ARG A 28 10.049 1.247 4.489 1.00 75.13 H new ATOM 0 HG3 ARG A 28 8.443 1.457 5.161 1.00 75.13 H new ATOM 0 HD2 ARG A 28 8.006 -0.839 5.218 1.00 41.41 H new ATOM 0 HD3 ARG A 28 9.028 -1.183 3.836 1.00 41.41 H new ATOM 0 HE ARG A 28 10.801 -1.575 5.305 1.00 33.42 H new ATOM 0 HH11 ARG A 28 8.447 0.588 6.896 1.00 25.31 H new ATOM 0 HH12 ARG A 28 9.333 0.620 8.425 1.00 25.31 H new ATOM 0 HH21 ARG A 28 11.920 -1.524 7.254 1.00 71.52 H new ATOM 0 HH22 ARG A 28 11.312 -0.586 8.623 1.00 71.52 H new ATOM 506 N ILE A 29 7.718 -0.749 0.932 1.00 73.21 N ATOM 507 CA ILE A 29 6.874 -1.240 -0.144 1.00 73.02 C ATOM 508 C ILE A 29 5.498 -1.601 0.418 1.00 4.10 C ATOM 509 O ILE A 29 5.305 -2.697 0.941 1.00 71.12 O ATOM 510 CB ILE A 29 7.559 -2.393 -0.879 1.00 63.20 C ATOM 511 CG1 ILE A 29 8.902 -1.948 -1.464 1.00 33.13 C ATOM 512 CG2 ILE A 29 6.638 -2.989 -1.945 1.00 31.31 C ATOM 513 CD1 ILE A 29 8.698 -0.967 -2.621 1.00 4.23 C ATOM 0 H ILE A 29 7.570 -1.206 1.832 1.00 73.21 H new ATOM 0 HA ILE A 29 6.720 -0.462 -0.892 1.00 73.02 H new ATOM 0 HB ILE A 29 7.767 -3.183 -0.157 1.00 63.20 H new ATOM 0 HG12 ILE A 29 9.504 -1.478 -0.686 1.00 33.13 H new ATOM 0 HG13 ILE A 29 9.457 -2.819 -1.814 1.00 33.13 H new ATOM 0 HG21 ILE A 29 7.150 -3.807 -2.452 1.00 31.31 H new ATOM 0 HG22 ILE A 29 5.731 -3.366 -1.473 1.00 31.31 H new ATOM 0 HG23 ILE A 29 6.376 -2.219 -2.671 1.00 31.31 H new ATOM 0 HD11 ILE A 29 9.667 -0.667 -3.019 1.00 4.23 H new ATOM 0 HD12 ILE A 29 8.116 -1.448 -3.408 1.00 4.23 H new ATOM 0 HD13 ILE A 29 8.165 -0.087 -2.262 1.00 4.23 H new ATOM 525 N PRO A 30 4.551 -0.633 0.287 1.00 11.44 N ATOM 526 CA PRO A 30 3.198 -0.838 0.776 1.00 41.20 C ATOM 527 C PRO A 30 2.417 -1.773 -0.147 1.00 64.02 C ATOM 528 O PRO A 30 2.569 -1.716 -1.367 1.00 31.24 O ATOM 529 CB PRO A 30 2.596 0.555 0.860 1.00 23.13 C ATOM 530 CG PRO A 30 3.463 1.439 -0.020 1.00 14.13 C ATOM 531 CD PRO A 30 4.744 0.678 -0.325 1.00 23.23 C ATOM 0 HA PRO A 30 3.172 -1.328 1.749 1.00 41.20 H new ATOM 0 HB2 PRO A 30 1.562 0.555 0.515 1.00 23.13 H new ATOM 0 HB3 PRO A 30 2.589 0.916 1.889 1.00 23.13 H new ATOM 0 HG2 PRO A 30 2.939 1.691 -0.942 1.00 14.13 H new ATOM 0 HG3 PRO A 30 3.688 2.378 0.485 1.00 14.13 H new ATOM 0 HD2 PRO A 30 4.908 0.593 -1.399 1.00 23.23 H new ATOM 0 HD3 PRO A 30 5.614 1.185 0.091 1.00 23.23 H new ATOM 539 N VAL A 31 1.598 -2.613 0.469 1.00 35.55 N ATOM 540 CA VAL A 31 0.793 -3.560 -0.284 1.00 53.01 C ATOM 541 C VAL A 31 -0.355 -4.059 0.595 1.00 30.13 C ATOM 542 O VAL A 31 -0.204 -4.177 1.811 1.00 73.51 O ATOM 543 CB VAL A 31 1.676 -4.693 -0.814 1.00 32.41 C ATOM 544 CG1 VAL A 31 2.445 -5.366 0.322 1.00 75.34 C ATOM 545 CG2 VAL A 31 0.846 -5.713 -1.597 1.00 45.11 C ATOM 0 H VAL A 31 1.475 -2.658 1.481 1.00 35.55 H new ATOM 0 HA VAL A 31 0.350 -3.077 -1.155 1.00 53.01 H new ATOM 0 HB VAL A 31 2.405 -4.259 -1.498 1.00 32.41 H new ATOM 0 HG11 VAL A 31 3.064 -6.167 -0.082 1.00 75.34 H new ATOM 0 HG12 VAL A 31 3.080 -4.631 0.817 1.00 75.34 H new ATOM 0 HG13 VAL A 31 1.740 -5.781 1.043 1.00 75.34 H new ATOM 0 HG21 VAL A 31 1.496 -6.507 -1.963 1.00 45.11 H new ATOM 0 HG22 VAL A 31 0.084 -6.139 -0.945 1.00 45.11 H new ATOM 0 HG23 VAL A 31 0.366 -5.220 -2.442 1.00 45.11 H new ATOM 555 N ILE A 32 -1.476 -4.339 -0.052 1.00 65.24 N ATOM 556 CA ILE A 32 -2.650 -4.822 0.655 1.00 51.12 C ATOM 557 C ILE A 32 -2.931 -6.266 0.240 1.00 43.11 C ATOM 558 O ILE A 32 -3.259 -6.530 -0.916 1.00 14.33 O ATOM 559 CB ILE A 32 -3.833 -3.877 0.439 1.00 11.34 C ATOM 560 CG1 ILE A 32 -3.400 -2.415 0.575 1.00 25.11 C ATOM 561 CG2 ILE A 32 -4.989 -4.221 1.381 1.00 63.41 C ATOM 562 CD1 ILE A 32 -2.747 -2.161 1.933 1.00 50.14 C ATOM 0 H ILE A 32 -1.597 -4.241 -1.060 1.00 65.24 H new ATOM 0 HA ILE A 32 -2.471 -4.829 1.730 1.00 51.12 H new ATOM 0 HB ILE A 32 -4.196 -4.012 -0.580 1.00 11.34 H new ATOM 0 HG12 ILE A 32 -2.700 -2.164 -0.222 1.00 25.11 H new ATOM 0 HG13 ILE A 32 -4.265 -1.763 0.456 1.00 25.11 H new ATOM 0 HG21 ILE A 32 -5.817 -3.534 1.207 1.00 63.41 H new ATOM 0 HG22 ILE A 32 -5.319 -5.243 1.194 1.00 63.41 H new ATOM 0 HG23 ILE A 32 -4.655 -4.132 2.415 1.00 63.41 H new ATOM 0 HD11 ILE A 32 -2.449 -1.115 2.003 1.00 50.14 H new ATOM 0 HD12 ILE A 32 -3.458 -2.390 2.727 1.00 50.14 H new ATOM 0 HD13 ILE A 32 -1.868 -2.797 2.039 1.00 50.14 H new ATOM 574 N CYS A 33 -2.794 -7.164 1.205 1.00 2.21 N ATOM 575 CA CYS A 33 -3.031 -8.576 0.953 1.00 35.42 C ATOM 576 C CYS A 33 -4.511 -8.867 1.207 1.00 3.32 C ATOM 577 O CYS A 33 -5.114 -8.293 2.111 1.00 43.20 O ATOM 578 CB CYS A 33 -2.119 -9.462 1.803 1.00 33.30 C ATOM 579 SG CYS A 33 -1.698 -10.988 0.886 1.00 13.01 S ATOM 0 H CYS A 33 -2.522 -6.941 2.163 1.00 2.21 H new ATOM 0 HA CYS A 33 -2.790 -8.810 -0.084 1.00 35.42 H new ATOM 0 HB2 CYS A 33 -1.209 -8.920 2.061 1.00 33.30 H new ATOM 0 HB3 CYS A 33 -2.615 -9.716 2.740 1.00 33.30 H new ATOM 0 HG CYS A 33 -0.449 -11.285 1.088 1.00 13.01 H new ATOM 585 N GLU A 34 -5.054 -9.762 0.393 1.00 15.11 N ATOM 586 CA GLU A 34 -6.452 -10.138 0.519 1.00 60.01 C ATOM 587 C GLU A 34 -6.598 -11.659 0.473 1.00 42.00 C ATOM 588 O GLU A 34 -5.760 -12.350 -0.105 1.00 21.50 O ATOM 589 CB GLU A 34 -7.298 -9.470 -0.567 1.00 74.13 C ATOM 590 CG GLU A 34 -8.781 -9.485 -0.192 1.00 21.12 C ATOM 591 CD GLU A 34 -9.650 -9.043 -1.371 1.00 33.02 C ATOM 592 OE1 GLU A 34 -10.883 -9.144 -1.307 1.00 61.31 O ATOM 593 OE2 GLU A 34 -8.998 -8.577 -2.383 1.00 64.42 O ATOM 0 H GLU A 34 -4.551 -10.237 -0.356 1.00 15.11 H new ATOM 0 HA GLU A 34 -6.818 -9.788 1.484 1.00 60.01 H new ATOM 0 HB2 GLU A 34 -6.966 -8.442 -0.711 1.00 74.13 H new ATOM 0 HB3 GLU A 34 -7.154 -9.987 -1.515 1.00 74.13 H new ATOM 0 HG2 GLU A 34 -9.070 -10.488 0.121 1.00 21.12 H new ATOM 0 HG3 GLU A 34 -8.951 -8.824 0.658 1.00 21.12 H new ATOM 601 N LYS A 35 -7.671 -12.138 1.088 1.00 12.15 N ATOM 602 CA LYS A 35 -7.938 -13.565 1.124 1.00 74.11 C ATOM 603 C LYS A 35 -8.967 -13.914 0.047 1.00 65.13 C ATOM 604 O LYS A 35 -10.050 -13.332 0.008 1.00 52.34 O ATOM 605 CB LYS A 35 -8.350 -13.998 2.532 1.00 54.43 C ATOM 606 CG LYS A 35 -7.890 -15.429 2.822 1.00 11.23 C ATOM 607 CD LYS A 35 -8.787 -16.446 2.114 1.00 11.40 C ATOM 608 CE LYS A 35 -9.993 -16.813 2.982 1.00 71.14 C ATOM 609 NZ LYS A 35 -11.175 -16.014 2.594 1.00 23.43 N ATOM 0 H LYS A 35 -8.365 -11.562 1.565 1.00 12.15 H new ATOM 0 HA LYS A 35 -7.033 -14.128 0.895 1.00 74.11 H new ATOM 0 HB2 LYS A 35 -7.919 -13.318 3.266 1.00 54.43 H new ATOM 0 HB3 LYS A 35 -9.433 -13.933 2.634 1.00 54.43 H new ATOM 0 HG2 LYS A 35 -6.859 -15.557 2.493 1.00 11.23 H new ATOM 0 HG3 LYS A 35 -7.907 -15.610 3.897 1.00 11.23 H new ATOM 0 HD2 LYS A 35 -9.130 -16.035 1.165 1.00 11.40 H new ATOM 0 HD3 LYS A 35 -8.213 -17.344 1.884 1.00 11.40 H new ATOM 0 HE2 LYS A 35 -10.214 -17.875 2.876 1.00 71.14 H new ATOM 0 HE3 LYS A 35 -9.759 -16.639 4.032 1.00 71.14 H new ATOM 0 HZ1 LYS A 35 -12.041 -16.526 2.855 1.00 23.43 H new ATOM 0 HZ2 LYS A 35 -11.152 -15.098 3.087 1.00 23.43 H new ATOM 0 HZ3 LYS A 35 -11.164 -15.854 1.566 1.00 23.43 H new ATOM 623 N ALA A 36 -8.593 -14.862 -0.799 1.00 44.15 N ATOM 624 CA ALA A 36 -9.470 -15.296 -1.873 1.00 42.21 C ATOM 625 C ALA A 36 -10.762 -15.858 -1.275 1.00 35.03 C ATOM 626 O ALA A 36 -10.735 -16.521 -0.239 1.00 61.54 O ATOM 627 CB ALA A 36 -8.740 -16.316 -2.748 1.00 55.13 C ATOM 0 H ALA A 36 -7.694 -15.342 -0.763 1.00 44.15 H new ATOM 0 HA ALA A 36 -9.741 -14.455 -2.511 1.00 42.21 H new ATOM 0 HB1 ALA A 36 -9.398 -16.641 -3.554 1.00 55.13 H new ATOM 0 HB2 ALA A 36 -7.846 -15.858 -3.172 1.00 55.13 H new ATOM 0 HB3 ALA A 36 -8.455 -17.176 -2.143 1.00 55.13 H new ATOM 633 N GLU A 37 -11.863 -15.573 -1.954 1.00 33.15 N ATOM 634 CA GLU A 37 -13.163 -16.041 -1.502 1.00 72.10 C ATOM 635 C GLU A 37 -13.252 -17.564 -1.630 1.00 21.01 C ATOM 636 O GLU A 37 -13.583 -18.252 -0.666 1.00 64.00 O ATOM 637 CB GLU A 37 -14.292 -15.360 -2.278 1.00 2.12 C ATOM 638 CG GLU A 37 -14.221 -15.709 -3.766 1.00 54.13 C ATOM 639 CD GLU A 37 -15.078 -14.749 -4.596 1.00 3.31 C ATOM 640 OE1 GLU A 37 -16.133 -14.297 -4.127 1.00 60.30 O ATOM 641 OE2 GLU A 37 -14.612 -14.477 -5.768 1.00 23.54 O ATOM 0 H GLU A 37 -11.882 -15.024 -2.813 1.00 33.15 H new ATOM 0 HA GLU A 37 -13.277 -15.776 -0.451 1.00 72.10 H new ATOM 0 HB2 GLU A 37 -15.255 -15.670 -1.873 1.00 2.12 H new ATOM 0 HB3 GLU A 37 -14.226 -14.280 -2.150 1.00 2.12 H new ATOM 0 HG2 GLU A 37 -13.186 -15.664 -4.105 1.00 54.13 H new ATOM 0 HG3 GLU A 37 -14.562 -16.733 -3.920 1.00 54.13 H new ATOM 649 N LYS A 38 -12.948 -18.044 -2.826 1.00 32.50 N ATOM 650 CA LYS A 38 -12.990 -19.472 -3.091 1.00 70.13 C ATOM 651 C LYS A 38 -12.095 -20.199 -2.085 1.00 34.33 C ATOM 652 O LYS A 38 -12.411 -21.307 -1.654 1.00 61.34 O ATOM 653 CB LYS A 38 -12.632 -19.757 -4.550 1.00 31.21 C ATOM 654 CG LYS A 38 -13.563 -19.002 -5.502 1.00 30.31 C ATOM 655 CD LYS A 38 -13.425 -19.523 -6.933 1.00 62.11 C ATOM 656 CE LYS A 38 -13.986 -18.515 -7.938 1.00 24.23 C ATOM 657 NZ LYS A 38 -13.322 -17.200 -7.784 1.00 2.33 N ATOM 0 H LYS A 38 -12.672 -17.470 -3.623 1.00 32.50 H new ATOM 0 HA LYS A 38 -14.001 -19.855 -2.955 1.00 70.13 H new ATOM 0 HB2 LYS A 38 -11.599 -19.465 -4.738 1.00 31.21 H new ATOM 0 HB3 LYS A 38 -12.700 -20.828 -4.742 1.00 31.21 H new ATOM 0 HG2 LYS A 38 -14.595 -19.112 -5.169 1.00 30.31 H new ATOM 0 HG3 LYS A 38 -13.331 -17.937 -5.475 1.00 30.31 H new ATOM 0 HD2 LYS A 38 -12.375 -19.717 -7.154 1.00 62.11 H new ATOM 0 HD3 LYS A 38 -13.952 -20.472 -7.031 1.00 62.11 H new ATOM 0 HE2 LYS A 38 -13.840 -18.885 -8.953 1.00 24.23 H new ATOM 0 HE3 LYS A 38 -15.060 -18.405 -7.790 1.00 24.23 H new ATOM 0 HZ1 LYS A 38 -13.149 -16.787 -8.722 1.00 2.33 H new ATOM 0 HZ2 LYS A 38 -13.934 -16.564 -7.233 1.00 2.33 H new ATOM 0 HZ3 LYS A 38 -12.417 -17.324 -7.288 1.00 2.33 H new ATOM 671 N SER A 39 -10.994 -19.547 -1.741 1.00 31.52 N ATOM 672 CA SER A 39 -10.051 -20.118 -0.795 1.00 23.13 C ATOM 673 C SER A 39 -10.805 -20.828 0.331 1.00 61.22 C ATOM 674 O SER A 39 -11.962 -20.514 0.603 1.00 52.33 O ATOM 675 CB SER A 39 -9.129 -19.040 -0.219 1.00 23.31 C ATOM 676 OG SER A 39 -8.007 -19.604 0.456 1.00 4.43 O ATOM 0 H SER A 39 -10.734 -18.629 -2.101 1.00 31.52 H new ATOM 0 HA SER A 39 -9.432 -20.844 -1.323 1.00 23.13 H new ATOM 0 HB2 SER A 39 -8.781 -18.393 -1.024 1.00 23.31 H new ATOM 0 HB3 SER A 39 -9.691 -18.413 0.473 1.00 23.31 H new ATOM 0 HG SER A 39 -7.960 -20.564 0.267 1.00 4.43 H new ATOM 682 N ASP A 40 -10.116 -21.774 0.955 1.00 65.12 N ATOM 683 CA ASP A 40 -10.707 -22.533 2.044 1.00 2.54 C ATOM 684 C ASP A 40 -9.936 -22.248 3.335 1.00 55.42 C ATOM 685 O ASP A 40 -10.137 -22.921 4.345 1.00 54.00 O ATOM 686 CB ASP A 40 -10.634 -24.036 1.772 1.00 11.34 C ATOM 687 CG ASP A 40 -11.561 -24.539 0.664 1.00 55.40 C ATOM 688 OD1 ASP A 40 -12.722 -24.895 0.914 1.00 20.22 O ATOM 689 OD2 ASP A 40 -11.039 -24.557 -0.517 1.00 14.32 O ATOM 0 H ASP A 40 -9.156 -22.031 0.727 1.00 65.12 H new ATOM 0 HA ASP A 40 -11.751 -22.234 2.135 1.00 2.54 H new ATOM 0 HB2 ASP A 40 -9.608 -24.293 1.511 1.00 11.34 H new ATOM 0 HB3 ASP A 40 -10.871 -24.568 2.693 1.00 11.34 H new ATOM 695 N ILE A 41 -9.068 -21.250 3.260 1.00 65.22 N ATOM 696 CA ILE A 41 -8.266 -20.866 4.409 1.00 75.43 C ATOM 697 C ILE A 41 -9.000 -19.784 5.201 1.00 34.44 C ATOM 698 O ILE A 41 -9.941 -19.171 4.697 1.00 24.44 O ATOM 699 CB ILE A 41 -6.859 -20.458 3.968 1.00 1.44 C ATOM 700 CG1 ILE A 41 -6.771 -18.947 3.746 1.00 4.10 C ATOM 701 CG2 ILE A 41 -6.422 -21.244 2.731 1.00 21.52 C ATOM 702 CD1 ILE A 41 -5.659 -18.601 2.756 1.00 2.30 C ATOM 0 H ILE A 41 -8.902 -20.695 2.420 1.00 65.22 H new ATOM 0 HA ILE A 41 -8.132 -21.715 5.079 1.00 75.43 H new ATOM 0 HB ILE A 41 -6.164 -20.708 4.770 1.00 1.44 H new ATOM 0 HG12 ILE A 41 -7.725 -18.575 3.371 1.00 4.10 H new ATOM 0 HG13 ILE A 41 -6.585 -18.447 4.696 1.00 4.10 H new ATOM 0 HG21 ILE A 41 -5.419 -20.934 2.439 1.00 21.52 H new ATOM 0 HG22 ILE A 41 -6.421 -22.310 2.959 1.00 21.52 H new ATOM 0 HG23 ILE A 41 -7.115 -21.049 1.912 1.00 21.52 H new ATOM 0 HD11 ILE A 41 -5.619 -17.521 2.617 1.00 2.30 H new ATOM 0 HD12 ILE A 41 -4.703 -18.953 3.145 1.00 2.30 H new ATOM 0 HD13 ILE A 41 -5.861 -19.083 1.799 1.00 2.30 H new ATOM 714 N PRO A 42 -8.532 -19.576 6.461 1.00 50.44 N ATOM 715 CA PRO A 42 -9.135 -18.577 7.328 1.00 24.42 C ATOM 716 C PRO A 42 -8.725 -17.164 6.905 1.00 24.50 C ATOM 717 O PRO A 42 -7.541 -16.887 6.722 1.00 43.12 O ATOM 718 CB PRO A 42 -8.666 -18.938 8.728 1.00 64.40 C ATOM 719 CG PRO A 42 -7.452 -19.835 8.543 1.00 30.21 C ATOM 720 CD PRO A 42 -7.421 -20.283 7.091 1.00 32.44 C ATOM 0 HA PRO A 42 -10.224 -18.575 7.275 1.00 24.42 H new ATOM 0 HB2 PRO A 42 -8.408 -18.044 9.296 1.00 64.40 H new ATOM 0 HB3 PRO A 42 -9.451 -19.453 9.282 1.00 64.40 H new ATOM 0 HG2 PRO A 42 -6.538 -19.298 8.796 1.00 30.21 H new ATOM 0 HG3 PRO A 42 -7.509 -20.697 9.207 1.00 30.21 H new ATOM 0 HD2 PRO A 42 -6.472 -20.030 6.619 1.00 32.44 H new ATOM 0 HD3 PRO A 42 -7.541 -21.363 7.007 1.00 32.44 H new ATOM 728 N GLU A 43 -9.728 -16.311 6.763 1.00 42.44 N ATOM 729 CA GLU A 43 -9.488 -14.934 6.367 1.00 50.22 C ATOM 730 C GLU A 43 -8.386 -14.317 7.231 1.00 11.31 C ATOM 731 O GLU A 43 -7.956 -14.915 8.216 1.00 21.42 O ATOM 732 CB GLU A 43 -10.772 -14.108 6.444 1.00 1.13 C ATOM 733 CG GLU A 43 -10.707 -12.902 5.505 1.00 32.10 C ATOM 734 CD GLU A 43 -12.102 -12.514 5.012 1.00 74.43 C ATOM 735 OE1 GLU A 43 -12.329 -12.431 3.796 1.00 70.25 O ATOM 736 OE2 GLU A 43 -12.970 -12.297 5.943 1.00 12.44 O ATOM 0 H GLU A 43 -10.709 -16.547 6.915 1.00 42.44 H new ATOM 0 HA GLU A 43 -9.155 -14.929 5.329 1.00 50.22 H new ATOM 0 HB2 GLU A 43 -11.626 -14.732 6.181 1.00 1.13 H new ATOM 0 HB3 GLU A 43 -10.929 -13.768 7.468 1.00 1.13 H new ATOM 0 HG2 GLU A 43 -10.253 -12.057 6.023 1.00 32.10 H new ATOM 0 HG3 GLU A 43 -10.068 -13.134 4.653 1.00 32.10 H new ATOM 744 N ILE A 44 -7.962 -13.127 6.832 1.00 60.22 N ATOM 745 CA ILE A 44 -6.919 -12.422 7.558 1.00 23.32 C ATOM 746 C ILE A 44 -7.552 -11.317 8.407 1.00 4.52 C ATOM 747 O ILE A 44 -8.702 -10.939 8.183 1.00 3.42 O ATOM 748 CB ILE A 44 -5.843 -11.917 6.595 1.00 42.45 C ATOM 749 CG1 ILE A 44 -4.916 -10.914 7.285 1.00 43.41 C ATOM 750 CG2 ILE A 44 -6.472 -11.336 5.325 1.00 73.53 C ATOM 751 CD1 ILE A 44 -3.806 -10.452 6.339 1.00 33.21 C ATOM 0 H ILE A 44 -8.322 -12.633 6.015 1.00 60.22 H new ATOM 0 HA ILE A 44 -6.408 -13.099 8.243 1.00 23.32 H new ATOM 0 HB ILE A 44 -5.231 -12.766 6.292 1.00 42.45 H new ATOM 0 HG12 ILE A 44 -5.493 -10.053 7.622 1.00 43.41 H new ATOM 0 HG13 ILE A 44 -4.476 -11.370 8.172 1.00 43.41 H new ATOM 0 HG21 ILE A 44 -5.685 -10.984 4.658 1.00 73.53 H new ATOM 0 HG22 ILE A 44 -7.056 -12.107 4.823 1.00 73.53 H new ATOM 0 HG23 ILE A 44 -7.123 -10.503 5.590 1.00 73.53 H new ATOM 0 HD11 ILE A 44 -3.162 -9.740 6.854 1.00 33.21 H new ATOM 0 HD12 ILE A 44 -3.216 -11.312 6.023 1.00 33.21 H new ATOM 0 HD13 ILE A 44 -4.248 -9.974 5.465 1.00 33.21 H new ATOM 763 N ASP A 45 -6.774 -10.829 9.362 1.00 33.03 N ATOM 764 CA ASP A 45 -7.245 -9.775 10.244 1.00 71.14 C ATOM 765 C ASP A 45 -7.730 -8.591 9.406 1.00 0.43 C ATOM 766 O ASP A 45 -8.894 -8.202 9.489 1.00 74.13 O ATOM 767 CB ASP A 45 -6.121 -9.279 11.157 1.00 41.02 C ATOM 768 CG ASP A 45 -5.792 -10.196 12.335 1.00 61.43 C ATOM 769 OD1 ASP A 45 -5.896 -9.797 13.504 1.00 63.25 O ATOM 770 OD2 ASP A 45 -5.409 -11.386 12.010 1.00 2.34 O ATOM 0 H ASP A 45 -5.821 -11.144 9.544 1.00 33.03 H new ATOM 0 HA ASP A 45 -8.053 -10.181 10.853 1.00 71.14 H new ATOM 0 HB2 ASP A 45 -5.220 -9.144 10.558 1.00 41.02 H new ATOM 0 HB3 ASP A 45 -6.395 -8.298 11.545 1.00 41.02 H new ATOM 776 N LYS A 46 -6.814 -8.052 8.615 1.00 54.04 N ATOM 777 CA LYS A 46 -7.134 -6.921 7.761 1.00 51.14 C ATOM 778 C LYS A 46 -6.260 -6.971 6.506 1.00 4.32 C ATOM 779 O LYS A 46 -5.424 -7.862 6.363 1.00 25.51 O ATOM 780 CB LYS A 46 -7.013 -5.611 8.542 1.00 35.22 C ATOM 781 CG LYS A 46 -5.860 -5.672 9.545 1.00 72.31 C ATOM 782 CD LYS A 46 -4.546 -6.030 8.849 1.00 10.44 C ATOM 783 CE LYS A 46 -3.356 -5.374 9.551 1.00 5.34 C ATOM 784 NZ LYS A 46 -3.551 -5.385 11.018 1.00 3.44 N ATOM 0 H LYS A 46 -5.850 -8.378 8.548 1.00 54.04 H new ATOM 0 HA LYS A 46 -8.171 -6.975 7.430 1.00 51.14 H new ATOM 0 HB2 LYS A 46 -6.853 -4.785 7.849 1.00 35.22 H new ATOM 0 HB3 LYS A 46 -7.946 -5.410 9.068 1.00 35.22 H new ATOM 0 HG2 LYS A 46 -5.759 -4.710 10.047 1.00 72.31 H new ATOM 0 HG3 LYS A 46 -6.081 -6.412 10.314 1.00 72.31 H new ATOM 0 HD2 LYS A 46 -4.417 -7.112 8.843 1.00 10.44 H new ATOM 0 HD3 LYS A 46 -4.582 -5.707 7.809 1.00 10.44 H new ATOM 0 HE2 LYS A 46 -2.438 -5.904 9.296 1.00 5.34 H new ATOM 0 HE3 LYS A 46 -3.240 -4.348 9.201 1.00 5.34 H new ATOM 0 HZ1 LYS A 46 -2.627 -5.329 11.491 1.00 3.44 H new ATOM 0 HZ2 LYS A 46 -4.133 -4.569 11.297 1.00 3.44 H new ATOM 0 HZ3 LYS A 46 -4.031 -6.264 11.298 1.00 3.44 H new ATOM 798 N ARG A 47 -6.482 -6.003 5.630 1.00 22.33 N ATOM 799 CA ARG A 47 -5.725 -5.926 4.392 1.00 73.31 C ATOM 800 C ARG A 47 -4.736 -4.760 4.446 1.00 10.15 C ATOM 801 O ARG A 47 -5.087 -3.629 4.115 1.00 4.24 O ATOM 802 CB ARG A 47 -6.653 -5.744 3.189 1.00 1.04 C ATOM 803 CG ARG A 47 -8.041 -6.321 3.475 1.00 52.44 C ATOM 804 CD ARG A 47 -8.773 -6.660 2.174 1.00 32.42 C ATOM 805 NE ARG A 47 -9.303 -5.423 1.555 1.00 24.35 N ATOM 806 CZ ARG A 47 -9.495 -5.265 0.228 1.00 51.53 C ATOM 807 NH1 ARG A 47 -9.203 -6.263 -0.631 1.00 63.21 N ATOM 808 NH2 ARG A 47 -9.973 -4.117 -0.215 1.00 1.01 N ATOM 0 H ARG A 47 -7.175 -5.265 5.753 1.00 22.33 H new ATOM 0 HA ARG A 47 -5.181 -6.863 4.278 1.00 73.31 H new ATOM 0 HB2 ARG A 47 -6.738 -4.684 2.948 1.00 1.04 H new ATOM 0 HB3 ARG A 47 -6.224 -6.236 2.316 1.00 1.04 H new ATOM 0 HG2 ARG A 47 -7.947 -7.218 4.088 1.00 52.44 H new ATOM 0 HG3 ARG A 47 -8.626 -5.603 4.049 1.00 52.44 H new ATOM 0 HD2 ARG A 47 -8.093 -7.160 1.484 1.00 32.42 H new ATOM 0 HD3 ARG A 47 -9.589 -7.354 2.376 1.00 32.42 H new ATOM 0 HE ARG A 47 -9.537 -4.643 2.169 1.00 24.35 H new ATOM 0 HH11 ARG A 47 -8.834 -7.147 -0.280 1.00 63.21 H new ATOM 0 HH12 ARG A 47 -9.351 -6.134 -1.632 1.00 63.21 H new ATOM 0 HH21 ARG A 47 -10.191 -3.368 0.442 1.00 1.01 H new ATOM 0 HH22 ARG A 47 -10.125 -3.979 -1.214 1.00 1.01 H new ATOM 822 N LYS A 48 -3.520 -5.077 4.864 1.00 32.22 N ATOM 823 CA LYS A 48 -2.478 -4.069 4.966 1.00 13.13 C ATOM 824 C LYS A 48 -1.128 -4.758 5.184 1.00 65.41 C ATOM 825 O LYS A 48 -0.965 -5.525 6.132 1.00 32.21 O ATOM 826 CB LYS A 48 -2.827 -3.045 6.047 1.00 2.52 C ATOM 827 CG LYS A 48 -1.632 -2.138 6.350 1.00 31.03 C ATOM 828 CD LYS A 48 -1.274 -1.279 5.135 1.00 5.15 C ATOM 829 CE LYS A 48 0.230 -1.329 4.852 1.00 62.34 C ATOM 830 NZ LYS A 48 0.679 -0.071 4.215 1.00 61.43 N ATOM 0 H LYS A 48 -3.233 -6.017 5.136 1.00 32.22 H new ATOM 0 HA LYS A 48 -2.402 -3.504 4.037 1.00 13.13 H new ATOM 0 HB2 LYS A 48 -3.673 -2.441 5.721 1.00 2.52 H new ATOM 0 HB3 LYS A 48 -3.136 -3.561 6.956 1.00 2.52 H new ATOM 0 HG2 LYS A 48 -1.865 -1.495 7.199 1.00 31.03 H new ATOM 0 HG3 LYS A 48 -0.773 -2.745 6.636 1.00 31.03 H new ATOM 0 HD2 LYS A 48 -1.824 -1.630 4.262 1.00 5.15 H new ATOM 0 HD3 LYS A 48 -1.581 -0.248 5.311 1.00 5.15 H new ATOM 0 HE2 LYS A 48 0.776 -1.488 5.782 1.00 62.34 H new ATOM 0 HE3 LYS A 48 0.456 -2.174 4.201 1.00 62.34 H new ATOM 0 HZ1 LYS A 48 1.541 0.269 4.688 1.00 61.43 H new ATOM 0 HZ2 LYS A 48 0.881 -0.244 3.210 1.00 61.43 H new ATOM 0 HZ3 LYS A 48 -0.069 0.647 4.299 1.00 61.43 H new ATOM 844 N TYR A 49 -0.196 -4.459 4.290 1.00 55.14 N ATOM 845 CA TYR A 49 1.132 -5.039 4.373 1.00 61.12 C ATOM 846 C TYR A 49 2.185 -4.082 3.809 1.00 45.23 C ATOM 847 O TYR A 49 2.229 -3.842 2.603 1.00 72.34 O ATOM 848 CB TYR A 49 1.095 -6.303 3.509 1.00 0.44 C ATOM 849 CG TYR A 49 0.470 -7.513 4.205 1.00 32.21 C ATOM 850 CD1 TYR A 49 -0.902 -7.603 4.333 1.00 44.50 C ATOM 851 CD2 TYR A 49 1.276 -8.516 4.703 1.00 4.35 C ATOM 852 CE1 TYR A 49 -1.491 -8.742 4.987 1.00 10.22 C ATOM 853 CE2 TYR A 49 0.686 -9.655 5.357 1.00 40.03 C ATOM 854 CZ TYR A 49 -0.668 -9.711 5.467 1.00 11.31 C ATOM 855 OH TYR A 49 -1.225 -10.788 6.085 1.00 30.03 O ATOM 0 H TYR A 49 -0.335 -3.823 3.505 1.00 55.14 H new ATOM 0 HA TYR A 49 1.395 -5.248 5.410 1.00 61.12 H new ATOM 0 HB2 TYR A 49 0.536 -6.092 2.598 1.00 0.44 H new ATOM 0 HB3 TYR A 49 2.112 -6.555 3.208 1.00 0.44 H new ATOM 0 HD1 TYR A 49 -1.533 -6.819 3.942 1.00 44.50 H new ATOM 0 HD2 TYR A 49 2.349 -8.447 4.602 1.00 4.35 H new ATOM 0 HE1 TYR A 49 -2.563 -8.825 5.094 1.00 10.22 H new ATOM 0 HE2 TYR A 49 1.305 -10.447 5.751 1.00 40.03 H new ATOM 0 HH TYR A 49 -0.529 -11.451 6.276 1.00 30.03 H new ATOM 865 N LEU A 50 3.006 -3.561 4.709 1.00 74.33 N ATOM 866 CA LEU A 50 4.056 -2.635 4.317 1.00 43.30 C ATOM 867 C LEU A 50 5.398 -3.367 4.309 1.00 30.44 C ATOM 868 O LEU A 50 6.203 -3.204 5.226 1.00 14.21 O ATOM 869 CB LEU A 50 4.036 -1.394 5.210 1.00 73.54 C ATOM 870 CG LEU A 50 5.023 -0.285 4.840 1.00 22.24 C ATOM 871 CD1 LEU A 50 5.020 -0.030 3.332 1.00 24.21 C ATOM 872 CD2 LEU A 50 4.739 0.990 5.638 1.00 4.24 C ATOM 0 H LEU A 50 2.966 -3.762 5.708 1.00 74.33 H new ATOM 0 HA LEU A 50 3.886 -2.272 3.304 1.00 43.30 H new ATOM 0 HB2 LEU A 50 3.029 -0.977 5.196 1.00 73.54 H new ATOM 0 HB3 LEU A 50 4.237 -1.705 6.235 1.00 73.54 H new ATOM 0 HG LEU A 50 6.026 -0.616 5.109 1.00 22.24 H new ATOM 0 HD11 LEU A 50 5.730 0.763 3.096 1.00 24.21 H new ATOM 0 HD12 LEU A 50 5.307 -0.942 2.808 1.00 24.21 H new ATOM 0 HD13 LEU A 50 4.021 0.271 3.016 1.00 24.21 H new ATOM 0 HD21 LEU A 50 5.454 1.763 5.356 1.00 4.24 H new ATOM 0 HD22 LEU A 50 3.728 1.336 5.423 1.00 4.24 H new ATOM 0 HD23 LEU A 50 4.832 0.781 6.704 1.00 4.24 H new ATOM 884 N VAL A 51 5.600 -4.157 3.265 1.00 34.04 N ATOM 885 CA VAL A 51 6.834 -4.914 3.127 1.00 63.40 C ATOM 886 C VAL A 51 7.953 -3.977 2.670 1.00 40.31 C ATOM 887 O VAL A 51 7.695 -2.964 2.021 1.00 53.13 O ATOM 888 CB VAL A 51 6.618 -6.095 2.179 1.00 5.34 C ATOM 889 CG1 VAL A 51 5.375 -6.895 2.573 1.00 22.24 C ATOM 890 CG2 VAL A 51 6.528 -5.623 0.727 1.00 42.33 C ATOM 0 H VAL A 51 4.931 -4.290 2.507 1.00 34.04 H new ATOM 0 HA VAL A 51 7.135 -5.335 4.087 1.00 63.40 H new ATOM 0 HB VAL A 51 7.482 -6.755 2.264 1.00 5.34 H new ATOM 0 HG11 VAL A 51 5.245 -7.729 1.883 1.00 22.24 H new ATOM 0 HG12 VAL A 51 5.495 -7.278 3.586 1.00 22.24 H new ATOM 0 HG13 VAL A 51 4.498 -6.249 2.531 1.00 22.24 H new ATOM 0 HG21 VAL A 51 6.374 -6.482 0.074 1.00 42.33 H new ATOM 0 HG22 VAL A 51 5.692 -4.932 0.620 1.00 42.33 H new ATOM 0 HG23 VAL A 51 7.454 -5.118 0.451 1.00 42.33 H new ATOM 900 N PRO A 52 9.206 -4.359 3.035 1.00 31.35 N ATOM 901 CA PRO A 52 10.368 -3.564 2.670 1.00 52.22 C ATOM 902 C PRO A 52 10.708 -3.740 1.190 1.00 45.42 C ATOM 903 O PRO A 52 10.014 -4.457 0.469 1.00 24.12 O ATOM 904 CB PRO A 52 11.476 -4.038 3.596 1.00 72.44 C ATOM 905 CG PRO A 52 11.028 -5.393 4.122 1.00 72.05 C ATOM 906 CD PRO A 52 9.550 -5.552 3.804 1.00 62.34 C ATOM 0 HA PRO A 52 10.200 -2.494 2.789 1.00 52.22 H new ATOM 0 HB2 PRO A 52 12.423 -4.120 3.062 1.00 72.44 H new ATOM 0 HB3 PRO A 52 11.630 -3.333 4.413 1.00 72.44 H new ATOM 0 HG2 PRO A 52 11.606 -6.192 3.659 1.00 72.05 H new ATOM 0 HG3 PRO A 52 11.196 -5.460 5.197 1.00 72.05 H new ATOM 0 HD2 PRO A 52 9.364 -6.460 3.231 1.00 62.34 H new ATOM 0 HD3 PRO A 52 8.954 -5.622 4.714 1.00 62.34 H new ATOM 914 N ALA A 53 11.777 -3.075 0.779 1.00 53.20 N ATOM 915 CA ALA A 53 12.220 -3.149 -0.605 1.00 13.10 C ATOM 916 C ALA A 53 13.257 -4.266 -0.745 1.00 64.41 C ATOM 917 O ALA A 53 14.006 -4.302 -1.720 1.00 65.24 O ATOM 918 CB ALA A 53 12.765 -1.788 -1.040 1.00 72.45 C ATOM 0 H ALA A 53 12.350 -2.482 1.379 1.00 53.20 H new ATOM 0 HA ALA A 53 11.385 -3.390 -1.263 1.00 13.10 H new ATOM 0 HB1 ALA A 53 13.097 -1.843 -2.077 1.00 72.45 H new ATOM 0 HB2 ALA A 53 11.981 -1.036 -0.950 1.00 72.45 H new ATOM 0 HB3 ALA A 53 13.606 -1.513 -0.404 1.00 72.45 H new ATOM 924 N ASP A 54 13.268 -5.148 0.244 1.00 11.31 N ATOM 925 CA ASP A 54 14.201 -6.262 0.243 1.00 24.43 C ATOM 926 C ASP A 54 13.418 -7.575 0.257 1.00 24.43 C ATOM 927 O ASP A 54 13.805 -8.539 -0.403 1.00 72.41 O ATOM 928 CB ASP A 54 15.095 -6.231 1.484 1.00 32.13 C ATOM 929 CG ASP A 54 15.392 -4.835 2.034 1.00 4.14 C ATOM 930 OD1 ASP A 54 14.866 -4.436 3.084 1.00 20.21 O ATOM 931 OD2 ASP A 54 16.212 -4.134 1.327 1.00 61.44 O ATOM 0 H ASP A 54 12.646 -5.114 1.051 1.00 11.31 H new ATOM 0 HA ASP A 54 14.821 -6.184 -0.650 1.00 24.43 H new ATOM 0 HB2 ASP A 54 14.621 -6.821 2.269 1.00 32.13 H new ATOM 0 HB3 ASP A 54 16.040 -6.719 1.245 1.00 32.13 H new ATOM 937 N LEU A 55 12.333 -7.574 1.016 1.00 53.33 N ATOM 938 CA LEU A 55 11.492 -8.755 1.124 1.00 33.10 C ATOM 939 C LEU A 55 10.993 -9.150 -0.267 1.00 55.22 C ATOM 940 O LEU A 55 10.536 -8.299 -1.030 1.00 73.35 O ATOM 941 CB LEU A 55 10.370 -8.523 2.137 1.00 22.25 C ATOM 942 CG LEU A 55 9.848 -9.769 2.856 1.00 42.04 C ATOM 943 CD1 LEU A 55 10.185 -11.038 2.070 1.00 33.21 C ATOM 944 CD2 LEU A 55 10.367 -9.830 4.294 1.00 41.11 C ATOM 0 H LEU A 55 12.016 -6.774 1.563 1.00 53.33 H new ATOM 0 HA LEU A 55 12.067 -9.598 1.508 1.00 33.10 H new ATOM 0 HB2 LEU A 55 10.725 -7.817 2.887 1.00 22.25 H new ATOM 0 HB3 LEU A 55 9.535 -8.048 1.622 1.00 22.25 H new ATOM 0 HG LEU A 55 8.761 -9.703 2.909 1.00 42.04 H new ATOM 0 HD11 LEU A 55 9.803 -11.908 2.603 1.00 33.21 H new ATOM 0 HD12 LEU A 55 9.726 -10.987 1.083 1.00 33.21 H new ATOM 0 HD13 LEU A 55 11.266 -11.124 1.964 1.00 33.21 H new ATOM 0 HD21 LEU A 55 9.981 -10.725 4.782 1.00 41.11 H new ATOM 0 HD22 LEU A 55 11.457 -9.862 4.287 1.00 41.11 H new ATOM 0 HD23 LEU A 55 10.033 -8.947 4.839 1.00 41.11 H new ATOM 956 N THR A 56 11.096 -10.438 -0.557 1.00 33.54 N ATOM 957 CA THR A 56 10.660 -10.954 -1.842 1.00 20.24 C ATOM 958 C THR A 56 9.264 -11.570 -1.724 1.00 22.22 C ATOM 959 O THR A 56 8.605 -11.431 -0.695 1.00 33.44 O ATOM 960 CB THR A 56 11.719 -11.941 -2.339 1.00 3.12 C ATOM 961 OG1 THR A 56 11.163 -13.221 -2.049 1.00 4.55 O ATOM 962 CG2 THR A 56 13.001 -11.894 -1.504 1.00 24.15 C ATOM 0 H THR A 56 11.476 -11.141 0.077 1.00 33.54 H new ATOM 0 HA THR A 56 10.568 -10.155 -2.578 1.00 20.24 H new ATOM 0 HB THR A 56 11.956 -11.725 -3.381 1.00 3.12 H new ATOM 0 HG1 THR A 56 11.313 -13.822 -2.808 1.00 4.55 H new ATOM 0 HG21 THR A 56 13.719 -12.613 -1.899 1.00 24.15 H new ATOM 0 HG22 THR A 56 13.428 -10.892 -1.550 1.00 24.15 H new ATOM 0 HG23 THR A 56 12.770 -12.143 -0.468 1.00 24.15 H new ATOM 970 N VAL A 57 8.855 -12.239 -2.792 1.00 60.44 N ATOM 971 CA VAL A 57 7.549 -12.876 -2.821 1.00 24.01 C ATOM 972 C VAL A 57 7.589 -14.150 -1.974 1.00 24.23 C ATOM 973 O VAL A 57 6.883 -14.254 -0.972 1.00 23.23 O ATOM 974 CB VAL A 57 7.125 -13.134 -4.270 1.00 35.30 C ATOM 975 CG1 VAL A 57 6.135 -14.297 -4.351 1.00 34.23 C ATOM 976 CG2 VAL A 57 6.540 -11.870 -4.903 1.00 3.30 C ATOM 0 H VAL A 57 9.405 -12.354 -3.643 1.00 60.44 H new ATOM 0 HA VAL A 57 6.794 -12.220 -2.387 1.00 24.01 H new ATOM 0 HB VAL A 57 8.014 -13.411 -4.836 1.00 35.30 H new ATOM 0 HG11 VAL A 57 5.849 -14.460 -5.390 1.00 34.23 H new ATOM 0 HG12 VAL A 57 6.601 -15.200 -3.957 1.00 34.23 H new ATOM 0 HG13 VAL A 57 5.248 -14.061 -3.764 1.00 34.23 H new ATOM 0 HG21 VAL A 57 6.247 -12.080 -5.932 1.00 3.30 H new ATOM 0 HG22 VAL A 57 5.667 -11.549 -4.335 1.00 3.30 H new ATOM 0 HG23 VAL A 57 7.289 -11.078 -4.894 1.00 3.30 H new ATOM 986 N GLY A 58 8.422 -15.085 -2.408 1.00 11.12 N ATOM 987 CA GLY A 58 8.562 -16.346 -1.702 1.00 42.23 C ATOM 988 C GLY A 58 8.881 -16.115 -0.223 1.00 73.23 C ATOM 989 O GLY A 58 8.705 -17.011 0.601 1.00 60.02 O ATOM 0 H GLY A 58 9.006 -14.994 -3.239 1.00 11.12 H new ATOM 0 HA2 GLY A 58 7.641 -16.922 -1.793 1.00 42.23 H new ATOM 0 HA3 GLY A 58 9.355 -16.937 -2.160 1.00 42.23 H new ATOM 993 N GLN A 59 9.344 -14.908 0.067 1.00 64.11 N ATOM 994 CA GLN A 59 9.689 -14.548 1.431 1.00 61.51 C ATOM 995 C GLN A 59 8.532 -13.793 2.089 1.00 64.21 C ATOM 996 O GLN A 59 8.402 -13.792 3.313 1.00 44.31 O ATOM 997 CB GLN A 59 10.977 -13.722 1.472 1.00 30.41 C ATOM 998 CG GLN A 59 12.184 -14.568 1.065 1.00 65.32 C ATOM 999 CD GLN A 59 13.493 -13.828 1.349 1.00 74.31 C ATOM 1000 OE1 GLN A 59 14.328 -13.635 0.480 1.00 74.53 O ATOM 1001 NE2 GLN A 59 13.626 -13.427 2.610 1.00 1.14 N ATOM 0 H GLN A 59 9.488 -14.167 -0.619 1.00 64.11 H new ATOM 0 HA GLN A 59 9.867 -15.464 1.994 1.00 61.51 H new ATOM 0 HB2 GLN A 59 10.886 -12.866 0.803 1.00 30.41 H new ATOM 0 HB3 GLN A 59 11.128 -13.326 2.476 1.00 30.41 H new ATOM 0 HG2 GLN A 59 12.171 -15.513 1.609 1.00 65.32 H new ATOM 0 HG3 GLN A 59 12.122 -14.810 0.004 1.00 65.32 H new ATOM 0 HE21 GLN A 59 12.889 -13.621 3.287 1.00 1.14 H new ATOM 0 HE22 GLN A 59 14.465 -12.925 2.900 1.00 1.14 H new ATOM 1010 N PHE A 60 7.722 -13.167 1.249 1.00 0.21 N ATOM 1011 CA PHE A 60 6.580 -12.410 1.734 1.00 52.15 C ATOM 1012 C PHE A 60 5.513 -13.338 2.315 1.00 43.15 C ATOM 1013 O PHE A 60 4.865 -13.002 3.305 1.00 50.40 O ATOM 1014 CB PHE A 60 5.994 -11.668 0.531 1.00 50.40 C ATOM 1015 CG PHE A 60 4.663 -10.968 0.820 1.00 73.03 C ATOM 1016 CD1 PHE A 60 4.588 -10.025 1.797 1.00 61.34 C ATOM 1017 CD2 PHE A 60 3.555 -11.291 0.100 1.00 51.21 C ATOM 1018 CE1 PHE A 60 3.354 -9.377 2.065 1.00 62.21 C ATOM 1019 CE2 PHE A 60 2.321 -10.642 0.369 1.00 1.22 C ATOM 1020 CZ PHE A 60 2.245 -9.699 1.345 1.00 23.01 C ATOM 0 H PHE A 60 7.833 -13.168 0.235 1.00 0.21 H new ATOM 0 HA PHE A 60 6.894 -11.725 2.522 1.00 52.15 H new ATOM 0 HB2 PHE A 60 6.716 -10.927 0.187 1.00 50.40 H new ATOM 0 HB3 PHE A 60 5.851 -12.376 -0.285 1.00 50.40 H new ATOM 0 HD1 PHE A 60 5.468 -9.769 2.369 1.00 61.34 H new ATOM 0 HD2 PHE A 60 3.614 -12.040 -0.676 1.00 51.21 H new ATOM 0 HE1 PHE A 60 3.295 -8.628 2.841 1.00 62.21 H new ATOM 0 HE2 PHE A 60 1.441 -10.898 -0.203 1.00 1.22 H new ATOM 0 HZ PHE A 60 1.306 -9.206 1.549 1.00 23.01 H new ATOM 1030 N VAL A 61 5.364 -14.489 1.676 1.00 32.35 N ATOM 1031 CA VAL A 61 4.386 -15.469 2.118 1.00 5.44 C ATOM 1032 C VAL A 61 4.655 -15.828 3.582 1.00 71.34 C ATOM 1033 O VAL A 61 3.729 -15.885 4.391 1.00 5.54 O ATOM 1034 CB VAL A 61 4.409 -16.686 1.191 1.00 43.14 C ATOM 1035 CG1 VAL A 61 3.463 -17.777 1.694 1.00 42.22 C ATOM 1036 CG2 VAL A 61 4.070 -16.287 -0.246 1.00 73.01 C ATOM 0 H VAL A 61 5.904 -14.765 0.856 1.00 32.35 H new ATOM 0 HA VAL A 61 3.379 -15.055 2.064 1.00 5.44 H new ATOM 0 HB VAL A 61 5.421 -17.092 1.197 1.00 43.14 H new ATOM 0 HG11 VAL A 61 3.499 -18.630 1.017 1.00 42.22 H new ATOM 0 HG12 VAL A 61 3.769 -18.092 2.692 1.00 42.22 H new ATOM 0 HG13 VAL A 61 2.446 -17.387 1.733 1.00 42.22 H new ATOM 0 HG21 VAL A 61 4.093 -17.170 -0.884 1.00 73.01 H new ATOM 0 HG22 VAL A 61 3.074 -15.844 -0.275 1.00 73.01 H new ATOM 0 HG23 VAL A 61 4.800 -15.561 -0.604 1.00 73.01 H new ATOM 1046 N TYR A 62 5.925 -16.058 3.877 1.00 14.20 N ATOM 1047 CA TYR A 62 6.327 -16.409 5.229 1.00 74.54 C ATOM 1048 C TYR A 62 5.661 -15.490 6.256 1.00 34.14 C ATOM 1049 O TYR A 62 5.479 -15.872 7.410 1.00 35.32 O ATOM 1050 CB TYR A 62 7.842 -16.203 5.285 1.00 44.14 C ATOM 1051 CG TYR A 62 8.334 -15.544 6.575 1.00 45.10 C ATOM 1052 CD1 TYR A 62 7.986 -16.079 7.799 1.00 62.34 C ATOM 1053 CD2 TYR A 62 9.123 -14.415 6.516 1.00 22.21 C ATOM 1054 CE1 TYR A 62 8.449 -15.459 9.013 1.00 24.35 C ATOM 1055 CE2 TYR A 62 9.585 -13.794 7.730 1.00 24.10 C ATOM 1056 CZ TYR A 62 9.225 -14.347 8.920 1.00 2.21 C ATOM 1057 OH TYR A 62 9.661 -13.761 10.066 1.00 63.13 O ATOM 0 H TYR A 62 6.690 -16.008 3.204 1.00 14.20 H new ATOM 0 HA TYR A 62 6.035 -17.433 5.462 1.00 74.54 H new ATOM 0 HB2 TYR A 62 8.334 -17.169 5.172 1.00 44.14 H new ATOM 0 HB3 TYR A 62 8.146 -15.590 4.437 1.00 44.14 H new ATOM 0 HD1 TYR A 62 7.367 -16.962 7.846 1.00 62.34 H new ATOM 0 HD2 TYR A 62 9.395 -13.996 5.558 1.00 22.21 H new ATOM 0 HE1 TYR A 62 8.185 -15.869 9.977 1.00 24.35 H new ATOM 0 HE2 TYR A 62 10.203 -12.909 7.697 1.00 24.10 H new ATOM 0 HH TYR A 62 10.206 -12.977 9.846 1.00 63.13 H new ATOM 1067 N VAL A 63 5.316 -14.295 5.795 1.00 52.24 N ATOM 1068 CA VAL A 63 4.675 -13.318 6.660 1.00 35.03 C ATOM 1069 C VAL A 63 3.162 -13.552 6.650 1.00 4.02 C ATOM 1070 O VAL A 63 2.501 -13.394 7.675 1.00 23.34 O ATOM 1071 CB VAL A 63 5.064 -11.903 6.228 1.00 11.21 C ATOM 1072 CG1 VAL A 63 4.206 -10.858 6.941 1.00 65.32 C ATOM 1073 CG2 VAL A 63 6.553 -11.647 6.468 1.00 44.31 C ATOM 0 H VAL A 63 5.468 -13.982 4.836 1.00 52.24 H new ATOM 0 HA VAL A 63 5.016 -13.435 7.689 1.00 35.03 H new ATOM 0 HB VAL A 63 4.878 -11.816 5.158 1.00 11.21 H new ATOM 0 HG11 VAL A 63 4.503 -9.861 6.616 1.00 65.32 H new ATOM 0 HG12 VAL A 63 3.156 -11.022 6.698 1.00 65.32 H new ATOM 0 HG13 VAL A 63 4.346 -10.946 8.018 1.00 65.32 H new ATOM 0 HG21 VAL A 63 6.804 -10.634 6.153 1.00 44.31 H new ATOM 0 HG22 VAL A 63 6.776 -11.762 7.529 1.00 44.31 H new ATOM 0 HG23 VAL A 63 7.142 -12.362 5.894 1.00 44.31 H new ATOM 1083 N ILE A 64 2.660 -13.924 5.482 1.00 25.51 N ATOM 1084 CA ILE A 64 1.239 -14.181 5.326 1.00 30.30 C ATOM 1085 C ILE A 64 0.845 -15.384 6.186 1.00 3.31 C ATOM 1086 O ILE A 64 -0.165 -15.347 6.888 1.00 53.34 O ATOM 1087 CB ILE A 64 0.882 -14.338 3.848 1.00 74.05 C ATOM 1088 CG1 ILE A 64 1.423 -13.167 3.025 1.00 52.44 C ATOM 1089 CG2 ILE A 64 -0.627 -14.520 3.663 1.00 22.42 C ATOM 1090 CD1 ILE A 64 0.815 -11.842 3.493 1.00 35.01 C ATOM 0 H ILE A 64 3.212 -14.054 4.634 1.00 25.51 H new ATOM 0 HA ILE A 64 0.657 -13.331 5.681 1.00 30.30 H new ATOM 0 HB ILE A 64 1.363 -15.243 3.476 1.00 74.05 H new ATOM 0 HG12 ILE A 64 2.508 -13.125 3.115 1.00 52.44 H new ATOM 0 HG13 ILE A 64 1.196 -13.323 1.970 1.00 52.44 H new ATOM 0 HG21 ILE A 64 -0.853 -14.629 2.602 1.00 22.42 H new ATOM 0 HG22 ILE A 64 -0.954 -15.412 4.197 1.00 22.42 H new ATOM 0 HG23 ILE A 64 -1.150 -13.649 4.057 1.00 22.42 H new ATOM 0 HD11 ILE A 64 1.216 -11.026 2.892 1.00 35.01 H new ATOM 0 HD12 ILE A 64 -0.268 -11.878 3.379 1.00 35.01 H new ATOM 0 HD13 ILE A 64 1.064 -11.677 4.541 1.00 35.01 H new ATOM 1102 N ARG A 65 1.662 -16.423 6.102 1.00 63.25 N ATOM 1103 CA ARG A 65 1.412 -17.636 6.863 1.00 61.31 C ATOM 1104 C ARG A 65 1.600 -17.371 8.358 1.00 12.01 C ATOM 1105 O ARG A 65 1.290 -18.226 9.187 1.00 41.52 O ATOM 1106 CB ARG A 65 2.351 -18.762 6.429 1.00 31.34 C ATOM 1107 CG ARG A 65 1.742 -20.132 6.734 1.00 61.42 C ATOM 1108 CD ARG A 65 0.955 -20.661 5.532 1.00 12.15 C ATOM 1109 NE ARG A 65 1.776 -20.553 4.304 1.00 42.22 N ATOM 1110 CZ ARG A 65 2.614 -21.517 3.867 1.00 13.14 C ATOM 1111 NH1 ARG A 65 2.752 -22.670 4.555 1.00 33.44 N ATOM 1112 NH2 ARG A 65 3.297 -21.314 2.756 1.00 34.13 N ATOM 0 H ARG A 65 2.498 -16.450 5.518 1.00 63.25 H new ATOM 0 HA ARG A 65 0.384 -17.943 6.671 1.00 61.31 H new ATOM 0 HB2 ARG A 65 2.554 -18.680 5.361 1.00 31.34 H new ATOM 0 HB3 ARG A 65 3.307 -18.662 6.944 1.00 31.34 H new ATOM 0 HG2 ARG A 65 2.533 -20.836 6.994 1.00 61.42 H new ATOM 0 HG3 ARG A 65 1.084 -20.057 7.600 1.00 61.42 H new ATOM 0 HD2 ARG A 65 0.672 -21.700 5.700 1.00 12.15 H new ATOM 0 HD3 ARG A 65 0.031 -20.094 5.413 1.00 12.15 H new ATOM 0 HE ARG A 65 1.704 -19.697 3.754 1.00 42.22 H new ATOM 0 HH11 ARG A 65 2.221 -22.819 5.413 1.00 33.44 H new ATOM 0 HH12 ARG A 65 3.388 -23.393 4.217 1.00 33.44 H new ATOM 0 HH21 ARG A 65 3.187 -20.440 2.242 1.00 34.13 H new ATOM 0 HH22 ARG A 65 3.935 -22.031 2.411 1.00 34.13 H new ATOM 1126 N LYS A 66 2.108 -16.184 8.659 1.00 55.44 N ATOM 1127 CA LYS A 66 2.341 -15.797 10.039 1.00 1.33 C ATOM 1128 C LYS A 66 1.079 -15.138 10.600 1.00 70.51 C ATOM 1129 O LYS A 66 0.710 -15.374 11.749 1.00 24.42 O ATOM 1130 CB LYS A 66 3.591 -14.923 10.146 1.00 12.24 C ATOM 1131 CG LYS A 66 4.815 -15.760 10.523 1.00 14.13 C ATOM 1132 CD LYS A 66 5.977 -14.866 10.964 1.00 31.51 C ATOM 1133 CE LYS A 66 6.871 -15.589 11.974 1.00 71.45 C ATOM 1134 NZ LYS A 66 6.819 -17.051 11.761 1.00 62.23 N ATOM 0 H LYS A 66 2.365 -15.478 7.969 1.00 55.44 H new ATOM 0 HA LYS A 66 2.541 -16.675 10.652 1.00 1.33 H new ATOM 0 HB2 LYS A 66 3.769 -14.419 9.196 1.00 12.24 H new ATOM 0 HB3 LYS A 66 3.433 -14.146 10.894 1.00 12.24 H new ATOM 0 HG2 LYS A 66 4.555 -16.448 11.327 1.00 14.13 H new ATOM 0 HG3 LYS A 66 5.121 -16.367 9.671 1.00 14.13 H new ATOM 0 HD2 LYS A 66 6.566 -14.574 10.095 1.00 31.51 H new ATOM 0 HD3 LYS A 66 5.588 -13.950 11.408 1.00 31.51 H new ATOM 0 HE2 LYS A 66 7.898 -15.238 11.875 1.00 71.45 H new ATOM 0 HE3 LYS A 66 6.549 -15.352 12.988 1.00 71.45 H new ATOM 0 HZ1 LYS A 66 7.652 -17.495 12.197 1.00 62.23 H new ATOM 0 HZ2 LYS A 66 5.955 -17.434 12.195 1.00 62.23 H new ATOM 0 HZ3 LYS A 66 6.813 -17.253 10.741 1.00 62.23 H new ATOM 1148 N ARG A 67 0.453 -14.326 9.762 1.00 1.25 N ATOM 1149 CA ARG A 67 -0.759 -13.631 10.159 1.00 11.04 C ATOM 1150 C ARG A 67 -1.842 -14.636 10.556 1.00 10.11 C ATOM 1151 O ARG A 67 -2.573 -14.417 11.521 1.00 74.15 O ATOM 1152 CB ARG A 67 -1.286 -12.748 9.025 1.00 53.20 C ATOM 1153 CG ARG A 67 -0.831 -11.298 9.203 1.00 23.03 C ATOM 1154 CD ARG A 67 -1.824 -10.514 10.064 1.00 34.01 C ATOM 1155 NE ARG A 67 -1.457 -10.628 11.492 1.00 70.52 N ATOM 1156 CZ ARG A 67 -0.301 -10.165 12.017 1.00 73.13 C ATOM 1157 NH1 ARG A 67 0.609 -9.551 11.232 1.00 21.20 N ATOM 1158 NH2 ARG A 67 -0.077 -10.323 13.308 1.00 2.44 N ATOM 0 H ARG A 67 0.762 -14.134 8.809 1.00 1.25 H new ATOM 0 HA ARG A 67 -0.513 -12.999 11.012 1.00 11.04 H new ATOM 0 HB2 ARG A 67 -0.931 -13.129 8.067 1.00 53.20 H new ATOM 0 HB3 ARG A 67 -2.375 -12.791 9.002 1.00 53.20 H new ATOM 0 HG2 ARG A 67 0.155 -11.277 9.668 1.00 23.03 H new ATOM 0 HG3 ARG A 67 -0.734 -10.821 8.228 1.00 23.03 H new ATOM 0 HD2 ARG A 67 -1.829 -9.466 9.764 1.00 34.01 H new ATOM 0 HD3 ARG A 67 -2.833 -10.895 9.908 1.00 34.01 H new ATOM 0 HE ARG A 67 -2.118 -11.085 12.120 1.00 70.52 H new ATOM 0 HH11 ARG A 67 0.426 -9.434 10.235 1.00 21.20 H new ATOM 0 HH12 ARG A 67 1.479 -9.204 11.635 1.00 21.20 H new ATOM 0 HH21 ARG A 67 -0.771 -10.788 13.893 1.00 2.44 H new ATOM 0 HH22 ARG A 67 0.790 -9.980 13.721 1.00 2.44 H new ATOM 1172 N ILE A 68 -1.910 -15.717 9.792 1.00 74.21 N ATOM 1173 CA ILE A 68 -2.891 -16.757 10.054 1.00 51.02 C ATOM 1174 C ILE A 68 -2.197 -17.954 10.705 1.00 1.12 C ATOM 1175 O ILE A 68 -2.828 -18.979 10.961 1.00 65.40 O ATOM 1176 CB ILE A 68 -3.652 -17.108 8.774 1.00 43.40 C ATOM 1177 CG1 ILE A 68 -2.731 -17.047 7.554 1.00 54.02 C ATOM 1178 CG2 ILE A 68 -4.885 -16.216 8.607 1.00 43.10 C ATOM 1179 CD1 ILE A 68 -3.449 -17.549 6.299 1.00 64.50 C ATOM 0 H ILE A 68 -1.302 -15.895 8.992 1.00 74.21 H new ATOM 0 HA ILE A 68 -3.644 -16.403 10.759 1.00 51.02 H new ATOM 0 HB ILE A 68 -4.007 -18.135 8.858 1.00 43.40 H new ATOM 0 HG12 ILE A 68 -2.394 -16.022 7.399 1.00 54.02 H new ATOM 0 HG13 ILE A 68 -1.842 -17.651 7.735 1.00 54.02 H new ATOM 0 HG21 ILE A 68 -5.408 -16.486 7.690 1.00 43.10 H new ATOM 0 HG22 ILE A 68 -5.551 -16.353 9.458 1.00 43.10 H new ATOM 0 HG23 ILE A 68 -4.575 -15.172 8.554 1.00 43.10 H new ATOM 0 HD11 ILE A 68 -2.772 -17.495 5.446 1.00 64.50 H new ATOM 0 HD12 ILE A 68 -3.763 -18.582 6.448 1.00 64.50 H new ATOM 0 HD13 ILE A 68 -4.324 -16.928 6.107 1.00 64.50 H new ATOM 1191 N MET A 69 -0.907 -17.787 10.953 1.00 12.12 N ATOM 1192 CA MET A 69 -0.120 -18.842 11.569 1.00 64.34 C ATOM 1193 C MET A 69 -0.495 -20.210 10.998 1.00 52.33 C ATOM 1194 O MET A 69 -0.382 -21.225 11.684 1.00 32.01 O ATOM 1195 CB MET A 69 -0.354 -18.838 13.082 1.00 12.53 C ATOM 1196 CG MET A 69 -1.794 -19.237 13.414 1.00 10.21 C ATOM 1197 SD MET A 69 -1.933 -19.635 15.148 1.00 12.40 S ATOM 1198 CE MET A 69 -3.118 -18.402 15.655 1.00 45.12 C ATOM 0 H MET A 69 -0.386 -16.937 10.739 1.00 12.12 H new ATOM 0 HA MET A 69 0.933 -18.656 11.355 1.00 64.34 H new ATOM 0 HB2 MET A 69 0.339 -19.529 13.563 1.00 12.53 H new ATOM 0 HB3 MET A 69 -0.146 -17.846 13.483 1.00 12.53 H new ATOM 0 HG2 MET A 69 -2.473 -18.422 13.164 1.00 10.21 H new ATOM 0 HG3 MET A 69 -2.091 -20.095 12.811 1.00 10.21 H new ATOM 0 HE1 MET A 69 -3.321 -18.509 16.721 1.00 45.12 H new ATOM 0 HE2 MET A 69 -2.715 -17.408 15.460 1.00 45.12 H new ATOM 0 HE3 MET A 69 -4.044 -18.535 15.095 1.00 45.12 H new ATOM 1208 N LEU A 70 -0.933 -20.194 9.748 1.00 62.43 N ATOM 1209 CA LEU A 70 -1.325 -21.423 9.077 1.00 10.14 C ATOM 1210 C LEU A 70 -0.226 -22.471 9.258 1.00 2.25 C ATOM 1211 O LEU A 70 0.961 -22.150 9.199 1.00 31.43 O ATOM 1212 CB LEU A 70 -1.674 -21.144 7.613 1.00 61.22 C ATOM 1213 CG LEU A 70 -2.864 -21.922 7.048 1.00 11.33 C ATOM 1214 CD1 LEU A 70 -4.052 -21.883 8.011 1.00 30.12 C ATOM 1215 CD2 LEU A 70 -3.238 -21.417 5.654 1.00 2.24 C ATOM 0 H LEU A 70 -1.025 -19.350 9.182 1.00 62.43 H new ATOM 0 HA LEU A 70 -2.231 -21.831 9.526 1.00 10.14 H new ATOM 0 HB2 LEU A 70 -1.877 -20.079 7.505 1.00 61.22 H new ATOM 0 HB3 LEU A 70 -0.798 -21.365 7.003 1.00 61.22 H new ATOM 0 HG LEU A 70 -2.570 -22.966 6.943 1.00 11.33 H new ATOM 0 HD11 LEU A 70 -4.884 -22.443 7.585 1.00 30.12 H new ATOM 0 HD12 LEU A 70 -3.764 -22.329 8.963 1.00 30.12 H new ATOM 0 HD13 LEU A 70 -4.356 -20.849 8.172 1.00 30.12 H new ATOM 0 HD21 LEU A 70 -4.087 -21.987 5.276 1.00 2.24 H new ATOM 0 HD22 LEU A 70 -3.505 -20.362 5.709 1.00 2.24 H new ATOM 0 HD23 LEU A 70 -2.389 -21.542 4.982 1.00 2.24 H new ATOM 1227 N PRO A 71 -0.671 -23.737 9.483 1.00 43.24 N ATOM 1228 CA PRO A 71 0.261 -24.835 9.672 1.00 13.55 C ATOM 1229 C PRO A 71 0.893 -25.255 8.345 1.00 75.31 C ATOM 1230 O PRO A 71 0.466 -24.807 7.280 1.00 21.12 O ATOM 1231 CB PRO A 71 -0.560 -25.941 10.316 1.00 61.24 C ATOM 1232 CG PRO A 71 -2.015 -25.596 10.037 1.00 24.13 C ATOM 1233 CD PRO A 71 -2.068 -24.154 9.558 1.00 33.31 C ATOM 0 HA PRO A 71 1.106 -24.564 10.304 1.00 13.55 H new ATOM 0 HB2 PRO A 71 -0.302 -26.914 9.897 1.00 61.24 H new ATOM 0 HB3 PRO A 71 -0.370 -25.995 11.388 1.00 61.24 H new ATOM 0 HG2 PRO A 71 -2.428 -26.265 9.282 1.00 24.13 H new ATOM 0 HG3 PRO A 71 -2.617 -25.722 10.937 1.00 24.13 H new ATOM 0 HD2 PRO A 71 -2.557 -24.077 8.587 1.00 33.31 H new ATOM 0 HD3 PRO A 71 -2.632 -23.528 10.249 1.00 33.31 H new ATOM 1241 N PRO A 72 1.926 -26.132 8.451 1.00 11.43 N ATOM 1242 CA PRO A 72 2.621 -26.618 7.271 1.00 73.31 C ATOM 1243 C PRO A 72 1.777 -27.651 6.523 1.00 14.34 C ATOM 1244 O PRO A 72 2.184 -28.153 5.477 1.00 14.13 O ATOM 1245 CB PRO A 72 3.931 -27.187 7.793 1.00 1.11 C ATOM 1246 CG PRO A 72 3.722 -27.422 9.279 1.00 12.50 C ATOM 1247 CD PRO A 72 2.458 -26.684 9.694 1.00 2.00 C ATOM 0 HA PRO A 72 2.806 -25.832 6.539 1.00 73.31 H new ATOM 0 HB2 PRO A 72 4.184 -28.116 7.283 1.00 1.11 H new ATOM 0 HB3 PRO A 72 4.754 -26.494 7.619 1.00 1.11 H new ATOM 0 HG2 PRO A 72 3.628 -28.488 9.488 1.00 12.50 H new ATOM 0 HG3 PRO A 72 4.579 -27.061 9.847 1.00 12.50 H new ATOM 0 HD2 PRO A 72 1.743 -27.358 10.166 1.00 2.00 H new ATOM 0 HD3 PRO A 72 2.678 -25.897 10.415 1.00 2.00 H new ATOM 1255 N GLU A 73 0.612 -27.937 7.089 1.00 4.32 N ATOM 1256 CA GLU A 73 -0.294 -28.902 6.488 1.00 33.04 C ATOM 1257 C GLU A 73 -1.145 -28.229 5.410 1.00 15.04 C ATOM 1258 O GLU A 73 -1.978 -28.878 4.777 1.00 75.11 O ATOM 1259 CB GLU A 73 -1.176 -29.561 7.551 1.00 51.24 C ATOM 1260 CG GLU A 73 -2.133 -28.544 8.177 1.00 33.54 C ATOM 1261 CD GLU A 73 -3.452 -29.207 8.576 1.00 53.33 C ATOM 1262 OE1 GLU A 73 -4.133 -29.795 7.723 1.00 25.23 O ATOM 1263 OE2 GLU A 73 -3.764 -29.095 9.823 1.00 11.00 O ATOM 0 H GLU A 73 0.276 -27.518 7.956 1.00 4.32 H new ATOM 0 HA GLU A 73 0.300 -29.686 6.018 1.00 33.04 H new ATOM 0 HB2 GLU A 73 -1.746 -30.374 7.102 1.00 51.24 H new ATOM 0 HB3 GLU A 73 -0.549 -30.001 8.327 1.00 51.24 H new ATOM 0 HG2 GLU A 73 -1.668 -28.094 9.054 1.00 33.54 H new ATOM 0 HG3 GLU A 73 -2.326 -27.738 7.469 1.00 33.54 H new ATOM 1271 N LYS A 74 -0.907 -26.939 5.232 1.00 15.22 N ATOM 1272 CA LYS A 74 -1.642 -26.170 4.241 1.00 74.24 C ATOM 1273 C LYS A 74 -0.652 -25.440 3.333 1.00 4.24 C ATOM 1274 O LYS A 74 0.560 -25.573 3.494 1.00 22.52 O ATOM 1275 CB LYS A 74 -2.653 -25.245 4.921 1.00 43.43 C ATOM 1276 CG LYS A 74 -3.646 -26.043 5.766 1.00 13.23 C ATOM 1277 CD LYS A 74 -5.062 -25.481 5.627 1.00 31.31 C ATOM 1278 CE LYS A 74 -6.094 -26.437 6.226 1.00 43.12 C ATOM 1279 NZ LYS A 74 -6.158 -26.279 7.696 1.00 72.20 N ATOM 0 H LYS A 74 -0.215 -26.405 5.758 1.00 15.22 H new ATOM 0 HA LYS A 74 -2.230 -26.831 3.605 1.00 74.24 H new ATOM 0 HB2 LYS A 74 -2.128 -24.528 5.552 1.00 43.43 H new ATOM 0 HB3 LYS A 74 -3.191 -24.672 4.166 1.00 43.43 H new ATOM 0 HG2 LYS A 74 -3.634 -27.088 5.457 1.00 13.23 H new ATOM 0 HG3 LYS A 74 -3.342 -26.017 6.812 1.00 13.23 H new ATOM 0 HD2 LYS A 74 -5.124 -24.514 6.127 1.00 31.31 H new ATOM 0 HD3 LYS A 74 -5.287 -25.310 4.574 1.00 31.31 H new ATOM 0 HE2 LYS A 74 -7.074 -26.242 5.791 1.00 43.12 H new ATOM 0 HE3 LYS A 74 -5.833 -27.465 5.976 1.00 43.12 H new ATOM 0 HZ1 LYS A 74 -6.864 -26.936 8.085 1.00 72.20 H new ATOM 0 HZ2 LYS A 74 -5.226 -26.488 8.108 1.00 72.20 H new ATOM 0 HZ3 LYS A 74 -6.429 -25.302 7.929 1.00 72.20 H new ATOM 1293 N ALA A 75 -1.205 -24.683 2.396 1.00 2.43 N ATOM 1294 CA ALA A 75 -0.386 -23.930 1.462 1.00 13.52 C ATOM 1295 C ALA A 75 -0.986 -22.536 1.272 1.00 54.01 C ATOM 1296 O ALA A 75 -2.143 -22.301 1.618 1.00 43.42 O ATOM 1297 CB ALA A 75 -0.275 -24.701 0.144 1.00 3.35 C ATOM 0 H ALA A 75 -2.211 -24.575 2.264 1.00 2.43 H new ATOM 0 HA ALA A 75 0.624 -23.804 1.853 1.00 13.52 H new ATOM 0 HB1 ALA A 75 0.339 -24.136 -0.557 1.00 3.35 H new ATOM 0 HB2 ALA A 75 0.184 -25.672 0.328 1.00 3.35 H new ATOM 0 HB3 ALA A 75 -1.269 -24.844 -0.279 1.00 3.35 H new ATOM 1303 N ILE A 76 -0.172 -21.645 0.724 1.00 45.33 N ATOM 1304 CA ILE A 76 -0.608 -20.280 0.484 1.00 65.33 C ATOM 1305 C ILE A 76 0.205 -19.684 -0.667 1.00 4.31 C ATOM 1306 O ILE A 76 1.426 -19.828 -0.708 1.00 22.55 O ATOM 1307 CB ILE A 76 -0.537 -19.461 1.775 1.00 71.13 C ATOM 1308 CG1 ILE A 76 -1.751 -18.538 1.905 1.00 33.21 C ATOM 1309 CG2 ILE A 76 0.781 -18.690 1.864 1.00 65.54 C ATOM 1310 CD1 ILE A 76 -1.773 -17.851 3.272 1.00 43.42 C ATOM 0 H ILE A 76 0.787 -21.842 0.439 1.00 45.33 H new ATOM 0 HA ILE A 76 -1.654 -20.262 0.178 1.00 65.33 H new ATOM 0 HB ILE A 76 -0.564 -20.150 2.619 1.00 71.13 H new ATOM 0 HG12 ILE A 76 -1.727 -17.786 1.116 1.00 33.21 H new ATOM 0 HG13 ILE A 76 -2.666 -19.114 1.768 1.00 33.21 H new ATOM 0 HG21 ILE A 76 0.805 -18.117 2.791 1.00 65.54 H new ATOM 0 HG22 ILE A 76 1.615 -19.392 1.850 1.00 65.54 H new ATOM 0 HG23 ILE A 76 0.864 -18.011 1.015 1.00 65.54 H new ATOM 0 HD11 ILE A 76 -2.645 -17.201 3.339 1.00 43.42 H new ATOM 0 HD12 ILE A 76 -1.822 -18.605 4.057 1.00 43.42 H new ATOM 0 HD13 ILE A 76 -0.868 -17.257 3.395 1.00 43.42 H new ATOM 1322 N PHE A 77 -0.506 -19.028 -1.573 1.00 12.42 N ATOM 1323 CA PHE A 77 0.134 -18.410 -2.723 1.00 62.30 C ATOM 1324 C PHE A 77 -0.382 -16.986 -2.936 1.00 33.33 C ATOM 1325 O PHE A 77 -1.586 -16.741 -2.873 1.00 33.52 O ATOM 1326 CB PHE A 77 -0.224 -19.259 -3.943 1.00 40.44 C ATOM 1327 CG PHE A 77 -0.024 -20.762 -3.737 1.00 70.23 C ATOM 1328 CD1 PHE A 77 1.211 -21.311 -3.896 1.00 4.54 C ATOM 1329 CD2 PHE A 77 -1.079 -21.548 -3.395 1.00 44.34 C ATOM 1330 CE1 PHE A 77 1.397 -22.706 -3.705 1.00 1.33 C ATOM 1331 CE2 PHE A 77 -0.893 -22.943 -3.204 1.00 41.05 C ATOM 1332 CZ PHE A 77 0.340 -23.492 -3.364 1.00 35.23 C ATOM 0 H PHE A 77 -1.519 -18.911 -1.534 1.00 12.42 H new ATOM 0 HA PHE A 77 1.212 -18.357 -2.567 1.00 62.30 H new ATOM 0 HB2 PHE A 77 -1.265 -19.075 -4.208 1.00 40.44 H new ATOM 0 HB3 PHE A 77 0.382 -18.935 -4.789 1.00 40.44 H new ATOM 0 HD1 PHE A 77 2.049 -20.686 -4.167 1.00 4.54 H new ATOM 0 HD2 PHE A 77 -2.059 -21.112 -3.269 1.00 44.34 H new ATOM 0 HE1 PHE A 77 2.377 -23.143 -3.830 1.00 1.33 H new ATOM 0 HE2 PHE A 77 -1.731 -23.567 -2.932 1.00 41.05 H new ATOM 0 HZ PHE A 77 0.481 -24.553 -3.220 1.00 35.23 H new ATOM 1342 N ILE A 78 0.555 -16.083 -3.187 1.00 3.55 N ATOM 1343 CA ILE A 78 0.210 -14.689 -3.410 1.00 70.04 C ATOM 1344 C ILE A 78 -0.123 -14.483 -4.890 1.00 63.43 C ATOM 1345 O ILE A 78 0.702 -14.754 -5.760 1.00 62.34 O ATOM 1346 CB ILE A 78 1.323 -13.774 -2.897 1.00 15.11 C ATOM 1347 CG1 ILE A 78 1.878 -14.279 -1.565 1.00 31.40 C ATOM 1348 CG2 ILE A 78 0.839 -12.324 -2.804 1.00 23.31 C ATOM 1349 CD1 ILE A 78 0.948 -13.909 -0.407 1.00 44.32 C ATOM 0 H ILE A 78 1.552 -16.290 -3.241 1.00 3.55 H new ATOM 0 HA ILE A 78 -0.680 -14.420 -2.841 1.00 70.04 H new ATOM 0 HB ILE A 78 2.143 -13.796 -3.615 1.00 15.11 H new ATOM 0 HG12 ILE A 78 2.001 -15.361 -1.605 1.00 31.40 H new ATOM 0 HG13 ILE A 78 2.866 -13.852 -1.393 1.00 31.40 H new ATOM 0 HG21 ILE A 78 1.648 -11.693 -2.437 1.00 23.31 H new ATOM 0 HG22 ILE A 78 0.530 -11.980 -3.791 1.00 23.31 H new ATOM 0 HG23 ILE A 78 -0.006 -12.266 -2.118 1.00 23.31 H new ATOM 0 HD11 ILE A 78 1.366 -14.280 0.529 1.00 44.32 H new ATOM 0 HD12 ILE A 78 0.846 -12.825 -0.354 1.00 44.32 H new ATOM 0 HD13 ILE A 78 -0.032 -14.358 -0.570 1.00 44.32 H new ATOM 1361 N PHE A 79 -1.335 -14.004 -5.128 1.00 54.23 N ATOM 1362 CA PHE A 79 -1.788 -13.758 -6.488 1.00 2.04 C ATOM 1363 C PHE A 79 -1.975 -12.260 -6.740 1.00 53.42 C ATOM 1364 O PHE A 79 -2.701 -11.589 -6.009 1.00 2.01 O ATOM 1365 CB PHE A 79 -3.138 -14.461 -6.642 1.00 31.10 C ATOM 1366 CG PHE A 79 -3.040 -15.868 -7.237 1.00 60.10 C ATOM 1367 CD1 PHE A 79 -2.689 -16.034 -8.539 1.00 2.43 C ATOM 1368 CD2 PHE A 79 -3.306 -16.953 -6.460 1.00 30.00 C ATOM 1369 CE1 PHE A 79 -2.600 -17.340 -9.090 1.00 63.12 C ATOM 1370 CE2 PHE A 79 -3.217 -18.258 -7.010 1.00 1.54 C ATOM 1371 CZ PHE A 79 -2.866 -18.425 -8.313 1.00 62.01 C ATOM 0 H PHE A 79 -2.017 -13.780 -4.404 1.00 54.23 H new ATOM 0 HA PHE A 79 -1.051 -14.130 -7.200 1.00 2.04 H new ATOM 0 HB2 PHE A 79 -3.618 -14.523 -5.665 1.00 31.10 H new ATOM 0 HB3 PHE A 79 -3.783 -13.853 -7.276 1.00 31.10 H new ATOM 0 HD1 PHE A 79 -2.478 -15.173 -9.155 1.00 2.43 H new ATOM 0 HD2 PHE A 79 -3.585 -16.821 -5.425 1.00 30.00 H new ATOM 0 HE1 PHE A 79 -2.321 -17.472 -10.125 1.00 63.12 H new ATOM 0 HE2 PHE A 79 -3.428 -19.119 -6.393 1.00 1.54 H new ATOM 0 HZ PHE A 79 -2.798 -19.418 -8.731 1.00 62.01 H new ATOM 1381 N VAL A 80 -1.306 -11.780 -7.779 1.00 21.44 N ATOM 1382 CA VAL A 80 -1.389 -10.374 -8.137 1.00 62.12 C ATOM 1383 C VAL A 80 -1.942 -10.245 -9.558 1.00 53.14 C ATOM 1384 O VAL A 80 -1.263 -10.586 -10.526 1.00 72.31 O ATOM 1385 CB VAL A 80 -0.021 -9.710 -7.966 1.00 75.21 C ATOM 1386 CG1 VAL A 80 -0.168 -8.201 -7.760 1.00 74.51 C ATOM 1387 CG2 VAL A 80 0.758 -10.346 -6.814 1.00 72.24 C ATOM 0 H VAL A 80 -0.705 -12.340 -8.384 1.00 21.44 H new ATOM 0 HA VAL A 80 -2.076 -9.851 -7.472 1.00 62.12 H new ATOM 0 HB VAL A 80 0.547 -9.871 -8.883 1.00 75.21 H new ATOM 0 HG11 VAL A 80 0.818 -7.752 -7.641 1.00 74.51 H new ATOM 0 HG12 VAL A 80 -0.664 -7.762 -8.626 1.00 74.51 H new ATOM 0 HG13 VAL A 80 -0.763 -8.012 -6.866 1.00 74.51 H new ATOM 0 HG21 VAL A 80 1.726 -9.855 -6.715 1.00 72.24 H new ATOM 0 HG22 VAL A 80 0.196 -10.231 -5.887 1.00 72.24 H new ATOM 0 HG23 VAL A 80 0.908 -11.406 -7.018 1.00 72.24 H new ATOM 1397 N ASN A 81 -3.171 -9.756 -9.638 1.00 42.00 N ATOM 1398 CA ASN A 81 -3.823 -9.579 -10.924 1.00 42.34 C ATOM 1399 C ASN A 81 -4.164 -10.950 -11.511 1.00 23.52 C ATOM 1400 O ASN A 81 -4.412 -11.072 -12.710 1.00 11.11 O ATOM 1401 CB ASN A 81 -2.907 -8.857 -11.912 1.00 33.42 C ATOM 1402 CG ASN A 81 -2.082 -7.777 -11.208 1.00 32.13 C ATOM 1403 OD1 ASN A 81 -2.544 -6.678 -10.948 1.00 74.42 O ATOM 1404 ND2 ASN A 81 -0.840 -8.151 -10.913 1.00 23.44 N ATOM 0 H ASN A 81 -3.732 -9.477 -8.833 1.00 42.00 H new ATOM 0 HA ASN A 81 -4.723 -8.984 -10.766 1.00 42.34 H new ATOM 0 HB2 ASN A 81 -2.240 -9.576 -12.387 1.00 33.42 H new ATOM 0 HB3 ASN A 81 -3.505 -8.405 -12.703 1.00 33.42 H new ATOM 0 HD21 ASN A 81 -0.211 -7.502 -10.441 1.00 23.44 H new ATOM 0 HD22 ASN A 81 -0.517 -9.087 -11.159 1.00 23.44 H new ATOM 1411 N ASP A 82 -4.164 -11.948 -10.639 1.00 73.32 N ATOM 1412 CA ASP A 82 -4.470 -13.306 -11.057 1.00 23.32 C ATOM 1413 C ASP A 82 -3.225 -13.934 -11.686 1.00 11.03 C ATOM 1414 O ASP A 82 -3.332 -14.824 -12.528 1.00 50.53 O ATOM 1415 CB ASP A 82 -5.587 -13.323 -12.101 1.00 70.50 C ATOM 1416 CG ASP A 82 -6.729 -12.337 -11.844 1.00 21.54 C ATOM 1417 OD1 ASP A 82 -6.792 -11.259 -12.451 1.00 75.13 O ATOM 1418 OD2 ASP A 82 -7.591 -12.719 -10.962 1.00 63.05 O ATOM 0 H ASP A 82 -3.957 -11.843 -9.646 1.00 73.32 H new ATOM 0 HA ASP A 82 -4.790 -13.865 -10.178 1.00 23.32 H new ATOM 0 HB2 ASP A 82 -5.154 -13.107 -13.078 1.00 70.50 H new ATOM 0 HB3 ASP A 82 -6.001 -14.330 -12.151 1.00 70.50 H new ATOM 1424 N THR A 83 -2.071 -13.447 -11.252 1.00 42.44 N ATOM 1425 CA THR A 83 -0.808 -13.950 -11.764 1.00 61.11 C ATOM 1426 C THR A 83 0.188 -14.151 -10.619 1.00 21.15 C ATOM 1427 O THR A 83 0.615 -13.187 -9.986 1.00 74.25 O ATOM 1428 CB THR A 83 -0.311 -12.979 -12.836 1.00 23.31 C ATOM 1429 OG1 THR A 83 0.325 -13.817 -13.796 1.00 43.30 O ATOM 1430 CG2 THR A 83 0.813 -12.072 -12.330 1.00 30.14 C ATOM 0 H THR A 83 -1.985 -12.710 -10.552 1.00 42.44 H new ATOM 0 HA THR A 83 -0.930 -14.930 -12.225 1.00 61.11 H new ATOM 0 HB THR A 83 -1.143 -12.366 -13.183 1.00 23.31 H new ATOM 0 HG1 THR A 83 0.675 -13.268 -14.528 1.00 43.30 H new ATOM 0 HG21 THR A 83 1.129 -11.403 -13.130 1.00 30.14 H new ATOM 0 HG22 THR A 83 0.454 -11.484 -11.486 1.00 30.14 H new ATOM 0 HG23 THR A 83 1.658 -12.683 -12.013 1.00 30.14 H new ATOM 1438 N LEU A 84 0.527 -15.410 -10.387 1.00 12.33 N ATOM 1439 CA LEU A 84 1.464 -15.752 -9.330 1.00 64.22 C ATOM 1440 C LEU A 84 2.879 -15.362 -9.763 1.00 22.45 C ATOM 1441 O LEU A 84 3.424 -15.936 -10.705 1.00 1.12 O ATOM 1442 CB LEU A 84 1.323 -17.225 -8.943 1.00 62.51 C ATOM 1443 CG LEU A 84 1.337 -17.528 -7.444 1.00 1.30 C ATOM 1444 CD1 LEU A 84 -0.083 -17.550 -6.874 1.00 31.45 C ATOM 1445 CD2 LEU A 84 2.091 -18.829 -7.156 1.00 5.15 C ATOM 0 H LEU A 84 0.169 -16.207 -10.913 1.00 12.33 H new ATOM 0 HA LEU A 84 1.240 -15.187 -8.425 1.00 64.22 H new ATOM 0 HB2 LEU A 84 0.390 -17.602 -9.361 1.00 62.51 H new ATOM 0 HB3 LEU A 84 2.132 -17.783 -9.414 1.00 62.51 H new ATOM 0 HG LEU A 84 1.873 -16.725 -6.938 1.00 1.30 H new ATOM 0 HD11 LEU A 84 -0.043 -17.768 -5.807 1.00 31.45 H new ATOM 0 HD12 LEU A 84 -0.552 -16.579 -7.029 1.00 31.45 H new ATOM 0 HD13 LEU A 84 -0.666 -18.320 -7.380 1.00 31.45 H new ATOM 0 HD21 LEU A 84 2.087 -19.022 -6.083 1.00 5.15 H new ATOM 0 HD22 LEU A 84 1.604 -19.654 -7.675 1.00 5.15 H new ATOM 0 HD23 LEU A 84 3.120 -18.738 -7.504 1.00 5.15 H new ATOM 1457 N PRO A 85 3.448 -14.364 -9.036 1.00 73.14 N ATOM 1458 CA PRO A 85 4.789 -13.891 -9.335 1.00 54.01 C ATOM 1459 C PRO A 85 5.843 -14.891 -8.853 1.00 31.32 C ATOM 1460 O PRO A 85 5.522 -15.844 -8.146 1.00 23.50 O ATOM 1461 CB PRO A 85 4.893 -12.540 -8.647 1.00 13.52 C ATOM 1462 CG PRO A 85 3.783 -12.515 -7.608 1.00 42.32 C ATOM 1463 CD PRO A 85 2.833 -13.661 -7.914 1.00 13.01 C ATOM 0 HA PRO A 85 4.971 -13.792 -10.405 1.00 54.01 H new ATOM 0 HB2 PRO A 85 5.869 -12.414 -8.179 1.00 13.52 H new ATOM 0 HB3 PRO A 85 4.776 -11.727 -9.363 1.00 13.52 H new ATOM 0 HG2 PRO A 85 4.197 -12.619 -6.605 1.00 42.32 H new ATOM 0 HG3 PRO A 85 3.254 -11.562 -7.637 1.00 42.32 H new ATOM 0 HD2 PRO A 85 2.715 -14.318 -7.052 1.00 13.01 H new ATOM 0 HD3 PRO A 85 1.840 -13.294 -8.173 1.00 13.01 H new ATOM 1471 N PRO A 86 7.112 -14.630 -9.266 1.00 12.01 N ATOM 1472 CA PRO A 86 8.216 -15.496 -8.885 1.00 0.14 C ATOM 1473 C PRO A 86 8.609 -15.270 -7.423 1.00 13.22 C ATOM 1474 O PRO A 86 7.896 -14.595 -6.683 1.00 70.44 O ATOM 1475 CB PRO A 86 9.333 -15.161 -9.859 1.00 21.33 C ATOM 1476 CG PRO A 86 8.981 -13.804 -10.447 1.00 1.45 C ATOM 1477 CD PRO A 86 7.529 -13.511 -10.107 1.00 12.41 C ATOM 0 HA PRO A 86 7.961 -16.554 -8.942 1.00 0.14 H new ATOM 0 HB2 PRO A 86 10.297 -15.128 -9.351 1.00 21.33 H new ATOM 0 HB3 PRO A 86 9.410 -15.917 -10.640 1.00 21.33 H new ATOM 0 HG2 PRO A 86 9.632 -13.031 -10.039 1.00 1.45 H new ATOM 0 HG3 PRO A 86 9.127 -13.807 -11.527 1.00 1.45 H new ATOM 0 HD2 PRO A 86 7.429 -12.562 -9.581 1.00 12.41 H new ATOM 0 HD3 PRO A 86 6.918 -13.443 -11.007 1.00 12.41 H new ATOM 1485 N THR A 87 9.741 -15.850 -7.052 1.00 44.33 N ATOM 1486 CA THR A 87 10.236 -15.721 -5.692 1.00 62.41 C ATOM 1487 C THR A 87 11.220 -14.552 -5.592 1.00 30.31 C ATOM 1488 O THR A 87 11.283 -13.875 -4.567 1.00 14.22 O ATOM 1489 CB THR A 87 10.843 -17.063 -5.282 1.00 10.12 C ATOM 1490 OG1 THR A 87 12.152 -17.041 -5.846 1.00 55.12 O ATOM 1491 CG2 THR A 87 10.162 -18.248 -5.968 1.00 50.43 C ATOM 0 H THR A 87 10.329 -16.410 -7.669 1.00 44.33 H new ATOM 0 HA THR A 87 9.430 -15.487 -4.997 1.00 62.41 H new ATOM 0 HB THR A 87 10.769 -17.178 -4.201 1.00 10.12 H new ATOM 0 HG1 THR A 87 12.617 -17.875 -5.626 1.00 55.12 H new ATOM 0 HG21 THR A 87 10.631 -19.176 -5.642 1.00 50.43 H new ATOM 0 HG22 THR A 87 9.105 -18.263 -5.703 1.00 50.43 H new ATOM 0 HG23 THR A 87 10.264 -18.150 -7.049 1.00 50.43 H new ATOM 1499 N ALA A 88 11.965 -14.354 -6.671 1.00 71.44 N ATOM 1500 CA ALA A 88 12.943 -13.281 -6.716 1.00 13.45 C ATOM 1501 C ALA A 88 12.248 -11.981 -7.127 1.00 44.20 C ATOM 1502 O ALA A 88 12.907 -10.975 -7.386 1.00 63.25 O ATOM 1503 CB ALA A 88 14.075 -13.662 -7.672 1.00 64.41 C ATOM 0 H ALA A 88 11.910 -14.918 -7.519 1.00 71.44 H new ATOM 0 HA ALA A 88 13.385 -13.123 -5.732 1.00 13.45 H new ATOM 0 HB1 ALA A 88 14.809 -12.857 -7.706 1.00 64.41 H new ATOM 0 HB2 ALA A 88 14.555 -14.576 -7.322 1.00 64.41 H new ATOM 0 HB3 ALA A 88 13.669 -13.825 -8.670 1.00 64.41 H new ATOM 1509 N ALA A 89 10.925 -12.044 -7.174 1.00 34.45 N ATOM 1510 CA ALA A 89 10.133 -10.885 -7.548 1.00 73.43 C ATOM 1511 C ALA A 89 10.089 -9.902 -6.375 1.00 42.11 C ATOM 1512 O ALA A 89 9.017 -9.601 -5.854 1.00 30.52 O ATOM 1513 CB ALA A 89 8.738 -11.337 -7.982 1.00 61.45 C ATOM 0 H ALA A 89 10.382 -12.880 -6.959 1.00 34.45 H new ATOM 0 HA ALA A 89 10.586 -10.369 -8.394 1.00 73.43 H new ATOM 0 HB1 ALA A 89 8.144 -10.467 -8.262 1.00 61.45 H new ATOM 0 HB2 ALA A 89 8.823 -12.009 -8.836 1.00 61.45 H new ATOM 0 HB3 ALA A 89 8.251 -11.858 -7.157 1.00 61.45 H new ATOM 1519 N LEU A 90 11.268 -9.431 -5.996 1.00 64.42 N ATOM 1520 CA LEU A 90 11.377 -8.489 -4.895 1.00 63.51 C ATOM 1521 C LEU A 90 10.100 -7.649 -4.819 1.00 52.21 C ATOM 1522 O LEU A 90 9.777 -6.918 -5.752 1.00 54.01 O ATOM 1523 CB LEU A 90 12.654 -7.654 -5.029 1.00 34.25 C ATOM 1524 CG LEU A 90 13.682 -7.819 -3.907 1.00 71.21 C ATOM 1525 CD1 LEU A 90 13.789 -9.281 -3.473 1.00 54.54 C ATOM 1526 CD2 LEU A 90 15.038 -7.242 -4.320 1.00 41.31 C ATOM 0 H LEU A 90 12.155 -9.684 -6.431 1.00 64.42 H new ATOM 0 HA LEU A 90 11.467 -9.020 -3.947 1.00 63.51 H new ATOM 0 HB2 LEU A 90 13.133 -7.908 -5.975 1.00 34.25 H new ATOM 0 HB3 LEU A 90 12.373 -6.602 -5.086 1.00 34.25 H new ATOM 0 HG LEU A 90 13.340 -7.252 -3.042 1.00 71.21 H new ATOM 0 HD11 LEU A 90 14.526 -9.371 -2.675 1.00 54.54 H new ATOM 0 HD12 LEU A 90 12.820 -9.625 -3.112 1.00 54.54 H new ATOM 0 HD13 LEU A 90 14.098 -9.891 -4.322 1.00 54.54 H new ATOM 0 HD21 LEU A 90 15.752 -7.371 -3.506 1.00 41.31 H new ATOM 0 HD22 LEU A 90 15.400 -7.763 -5.206 1.00 41.31 H new ATOM 0 HD23 LEU A 90 14.929 -6.180 -4.542 1.00 41.31 H new ATOM 1538 N MET A 91 9.408 -7.785 -3.696 1.00 32.43 N ATOM 1539 CA MET A 91 8.173 -7.050 -3.485 1.00 22.31 C ATOM 1540 C MET A 91 8.261 -5.647 -4.089 1.00 44.01 C ATOM 1541 O MET A 91 7.255 -5.094 -4.533 1.00 41.02 O ATOM 1542 CB MET A 91 7.892 -6.943 -1.986 1.00 61.30 C ATOM 1543 CG MET A 91 7.634 -8.324 -1.377 1.00 10.20 C ATOM 1544 SD MET A 91 6.027 -8.357 -0.599 1.00 71.21 S ATOM 1545 CE MET A 91 4.983 -8.213 -2.038 1.00 3.14 C ATOM 0 H MET A 91 9.680 -8.393 -2.924 1.00 32.43 H new ATOM 0 HA MET A 91 7.363 -7.588 -3.978 1.00 22.31 H new ATOM 0 HB2 MET A 91 8.739 -6.473 -1.486 1.00 61.30 H new ATOM 0 HB3 MET A 91 7.027 -6.301 -1.819 1.00 61.30 H new ATOM 0 HG2 MET A 91 7.688 -9.088 -2.152 1.00 10.20 H new ATOM 0 HG3 MET A 91 8.407 -8.558 -0.645 1.00 10.20 H new ATOM 0 HE1 MET A 91 3.985 -8.582 -1.802 1.00 3.14 H new ATOM 0 HE2 MET A 91 4.921 -7.167 -2.340 1.00 3.14 H new ATOM 0 HE3 MET A 91 5.404 -8.801 -2.853 1.00 3.14 H new ATOM 1555 N SER A 92 9.473 -5.111 -4.087 1.00 61.22 N ATOM 1556 CA SER A 92 9.705 -3.783 -4.629 1.00 10.22 C ATOM 1557 C SER A 92 9.423 -3.774 -6.132 1.00 3.55 C ATOM 1558 O SER A 92 8.599 -2.995 -6.608 1.00 30.35 O ATOM 1559 CB SER A 92 11.137 -3.319 -4.355 1.00 12.35 C ATOM 1560 OG SER A 92 11.603 -2.408 -5.348 1.00 55.11 O ATOM 0 H SER A 92 10.305 -5.573 -3.719 1.00 61.22 H new ATOM 0 HA SER A 92 9.026 -3.089 -4.135 1.00 10.22 H new ATOM 0 HB2 SER A 92 11.182 -2.842 -3.376 1.00 12.35 H new ATOM 0 HB3 SER A 92 11.798 -4.185 -4.319 1.00 12.35 H new ATOM 0 HG SER A 92 12.520 -2.134 -5.136 1.00 55.11 H new ATOM 1566 N ALA A 93 10.123 -4.651 -6.838 1.00 51.43 N ATOM 1567 CA ALA A 93 9.959 -4.755 -8.278 1.00 44.32 C ATOM 1568 C ALA A 93 8.513 -5.140 -8.595 1.00 70.44 C ATOM 1569 O ALA A 93 8.070 -5.020 -9.736 1.00 35.31 O ATOM 1570 CB ALA A 93 10.968 -5.760 -8.836 1.00 51.33 C ATOM 0 H ALA A 93 10.805 -5.296 -6.439 1.00 51.43 H new ATOM 0 HA ALA A 93 10.157 -3.796 -8.758 1.00 44.32 H new ATOM 0 HB1 ALA A 93 10.845 -5.838 -9.916 1.00 51.33 H new ATOM 0 HB2 ALA A 93 11.980 -5.424 -8.610 1.00 51.33 H new ATOM 0 HB3 ALA A 93 10.800 -6.736 -8.380 1.00 51.33 H new ATOM 1576 N ILE A 94 7.817 -5.597 -7.564 1.00 40.34 N ATOM 1577 CA ILE A 94 6.429 -6.002 -7.718 1.00 0.42 C ATOM 1578 C ILE A 94 5.519 -4.800 -7.457 1.00 61.53 C ATOM 1579 O ILE A 94 4.499 -4.633 -8.123 1.00 44.40 O ATOM 1580 CB ILE A 94 6.122 -7.210 -6.833 1.00 24.11 C ATOM 1581 CG1 ILE A 94 7.084 -8.364 -7.126 1.00 53.44 C ATOM 1582 CG2 ILE A 94 4.659 -7.635 -6.972 1.00 24.34 C ATOM 1583 CD1 ILE A 94 6.836 -8.944 -8.520 1.00 10.40 C ATOM 0 H ILE A 94 8.188 -5.696 -6.619 1.00 40.34 H new ATOM 0 HA ILE A 94 6.239 -6.329 -8.740 1.00 0.42 H new ATOM 0 HB ILE A 94 6.275 -6.919 -5.794 1.00 24.11 H new ATOM 0 HG12 ILE A 94 8.113 -8.012 -7.052 1.00 53.44 H new ATOM 0 HG13 ILE A 94 6.960 -9.145 -6.376 1.00 53.44 H new ATOM 0 HG21 ILE A 94 4.468 -8.496 -6.332 1.00 24.34 H new ATOM 0 HG22 ILE A 94 4.011 -6.811 -6.674 1.00 24.34 H new ATOM 0 HG23 ILE A 94 4.454 -7.901 -8.009 1.00 24.34 H new ATOM 0 HD11 ILE A 94 7.533 -9.762 -8.703 1.00 10.40 H new ATOM 0 HD12 ILE A 94 5.814 -9.317 -8.582 1.00 10.40 H new ATOM 0 HD13 ILE A 94 6.985 -8.167 -9.269 1.00 10.40 H new ATOM 1595 N TYR A 95 5.921 -3.995 -6.485 1.00 51.15 N ATOM 1596 CA TYR A 95 5.155 -2.813 -6.126 1.00 20.24 C ATOM 1597 C TYR A 95 5.415 -1.671 -7.110 1.00 42.21 C ATOM 1598 O TYR A 95 4.799 -0.612 -7.014 1.00 45.41 O ATOM 1599 CB TYR A 95 5.646 -2.398 -4.739 1.00 42.53 C ATOM 1600 CG TYR A 95 5.451 -0.913 -4.429 1.00 20.22 C ATOM 1601 CD1 TYR A 95 4.228 -0.454 -3.983 1.00 32.12 C ATOM 1602 CD2 TYR A 95 6.499 -0.030 -4.595 1.00 42.40 C ATOM 1603 CE1 TYR A 95 4.046 0.944 -3.692 1.00 52.14 C ATOM 1604 CE2 TYR A 95 6.317 1.368 -4.304 1.00 23.54 C ATOM 1605 CZ TYR A 95 5.099 1.786 -3.866 1.00 24.44 C ATOM 1606 OH TYR A 95 4.926 3.107 -3.592 1.00 51.50 O ATOM 0 H TYR A 95 6.768 -4.138 -5.934 1.00 51.15 H new ATOM 0 HA TYR A 95 4.087 -3.028 -6.144 1.00 20.24 H new ATOM 0 HB2 TYR A 95 5.121 -2.988 -3.987 1.00 42.53 H new ATOM 0 HB3 TYR A 95 6.705 -2.641 -4.652 1.00 42.53 H new ATOM 0 HD1 TYR A 95 3.407 -1.144 -3.852 1.00 32.12 H new ATOM 0 HD2 TYR A 95 7.456 -0.388 -4.944 1.00 42.40 H new ATOM 0 HE1 TYR A 95 3.094 1.316 -3.343 1.00 52.14 H new ATOM 0 HE2 TYR A 95 7.129 2.069 -4.431 1.00 23.54 H new ATOM 0 HH TYR A 95 5.763 3.588 -3.761 1.00 51.50 H new ATOM 1616 N GLN A 96 6.332 -1.926 -8.032 1.00 41.34 N ATOM 1617 CA GLN A 96 6.683 -0.931 -9.033 1.00 40.14 C ATOM 1618 C GLN A 96 6.061 -1.295 -10.383 1.00 73.33 C ATOM 1619 O GLN A 96 6.096 -0.498 -11.320 1.00 35.05 O ATOM 1620 CB GLN A 96 8.200 -0.784 -9.150 1.00 62.44 C ATOM 1621 CG GLN A 96 8.595 -0.253 -10.531 1.00 73.05 C ATOM 1622 CD GLN A 96 8.016 1.144 -10.766 1.00 52.22 C ATOM 1623 OE1 GLN A 96 7.226 1.656 -9.989 1.00 22.34 O ATOM 1624 NE2 GLN A 96 8.449 1.729 -11.879 1.00 34.13 N ATOM 0 H GLN A 96 6.842 -2.806 -8.107 1.00 41.34 H new ATOM 0 HA GLN A 96 6.281 0.032 -8.718 1.00 40.14 H new ATOM 0 HB2 GLN A 96 8.564 -0.106 -8.378 1.00 62.44 H new ATOM 0 HB3 GLN A 96 8.677 -1.749 -8.977 1.00 62.44 H new ATOM 0 HG2 GLN A 96 9.681 -0.219 -10.615 1.00 73.05 H new ATOM 0 HG3 GLN A 96 8.237 -0.934 -11.303 1.00 73.05 H new ATOM 0 HE21 GLN A 96 9.111 1.245 -12.486 1.00 34.13 H new ATOM 0 HE22 GLN A 96 8.119 2.662 -12.126 1.00 34.13 H new ATOM 1633 N GLU A 97 5.507 -2.497 -10.439 1.00 32.44 N ATOM 1634 CA GLU A 97 4.879 -2.975 -11.659 1.00 2.21 C ATOM 1635 C GLU A 97 3.406 -3.301 -11.405 1.00 41.50 C ATOM 1636 O GLU A 97 2.662 -3.598 -12.338 1.00 31.31 O ATOM 1637 CB GLU A 97 5.621 -4.191 -12.217 1.00 65.22 C ATOM 1638 CG GLU A 97 5.083 -5.489 -11.611 1.00 55.53 C ATOM 1639 CD GLU A 97 5.832 -6.704 -12.162 1.00 44.43 C ATOM 1640 OE1 GLU A 97 7.039 -6.617 -12.435 1.00 63.43 O ATOM 1641 OE2 GLU A 97 5.117 -7.768 -12.302 1.00 70.13 O ATOM 0 H GLU A 97 5.480 -3.154 -9.659 1.00 32.44 H new ATOM 0 HA GLU A 97 4.932 -2.183 -12.406 1.00 2.21 H new ATOM 0 HB2 GLU A 97 5.514 -4.220 -13.301 1.00 65.22 H new ATOM 0 HB3 GLU A 97 6.686 -4.100 -12.004 1.00 65.22 H new ATOM 0 HG2 GLU A 97 5.183 -5.457 -10.526 1.00 55.53 H new ATOM 0 HG3 GLU A 97 4.019 -5.583 -11.830 1.00 55.53 H new ATOM 1649 N HIS A 98 3.028 -3.235 -10.137 1.00 3.52 N ATOM 1650 CA HIS A 98 1.658 -3.520 -9.747 1.00 21.22 C ATOM 1651 C HIS A 98 1.083 -2.325 -8.984 1.00 61.24 C ATOM 1652 O HIS A 98 0.018 -2.427 -8.376 1.00 1.42 O ATOM 1653 CB HIS A 98 1.578 -4.825 -8.954 1.00 32.21 C ATOM 1654 CG HIS A 98 1.816 -6.064 -9.784 1.00 32.35 C ATOM 1655 ND1 HIS A 98 1.443 -6.159 -11.112 1.00 41.32 N ATOM 1656 CD2 HIS A 98 2.395 -7.256 -9.459 1.00 62.03 C ATOM 1657 CE1 HIS A 98 1.784 -7.359 -11.557 1.00 52.14 C ATOM 1658 NE2 HIS A 98 2.374 -8.038 -10.532 1.00 24.24 N ATOM 0 H HIS A 98 3.648 -2.988 -9.366 1.00 3.52 H new ATOM 0 HA HIS A 98 1.046 -3.667 -10.637 1.00 21.22 H new ATOM 0 HB2 HIS A 98 2.311 -4.794 -8.148 1.00 32.21 H new ATOM 0 HB3 HIS A 98 0.595 -4.895 -8.488 1.00 32.21 H new ATOM 0 HD2 HIS A 98 2.801 -7.519 -8.493 1.00 62.03 H new ATOM 0 HE1 HIS A 98 1.623 -7.734 -12.557 1.00 52.14 H new ATOM 0 HE2 HIS A 98 2.739 -8.989 -10.581 1.00 24.24 H new ATOM 1667 N LYS A 99 1.812 -1.220 -9.042 1.00 12.51 N ATOM 1668 CA LYS A 99 1.388 -0.007 -8.364 1.00 13.43 C ATOM 1669 C LYS A 99 0.091 0.499 -8.998 1.00 32.40 C ATOM 1670 O LYS A 99 -0.188 0.215 -10.162 1.00 3.15 O ATOM 1671 CB LYS A 99 2.515 1.027 -8.360 1.00 4.34 C ATOM 1672 CG LYS A 99 2.772 1.563 -9.770 1.00 4.14 C ATOM 1673 CD LYS A 99 2.290 3.010 -9.902 1.00 12.25 C ATOM 1674 CE LYS A 99 1.968 3.348 -11.359 1.00 60.42 C ATOM 1675 NZ LYS A 99 0.779 4.225 -11.437 1.00 53.51 N ATOM 0 H LYS A 99 2.694 -1.140 -9.548 1.00 12.51 H new ATOM 0 HA LYS A 99 1.172 -0.212 -7.315 1.00 13.43 H new ATOM 0 HB2 LYS A 99 2.255 1.851 -7.696 1.00 4.34 H new ATOM 0 HB3 LYS A 99 3.426 0.576 -7.967 1.00 4.34 H new ATOM 0 HG2 LYS A 99 3.837 1.509 -9.995 1.00 4.14 H new ATOM 0 HG3 LYS A 99 2.259 0.937 -10.500 1.00 4.14 H new ATOM 0 HD2 LYS A 99 1.404 3.160 -9.285 1.00 12.25 H new ATOM 0 HD3 LYS A 99 3.057 3.688 -9.528 1.00 12.25 H new ATOM 0 HE2 LYS A 99 2.823 3.842 -11.821 1.00 60.42 H new ATOM 0 HE3 LYS A 99 1.788 2.431 -11.920 1.00 60.42 H new ATOM 0 HZ1 LYS A 99 0.574 4.445 -12.433 1.00 53.51 H new ATOM 0 HZ2 LYS A 99 -0.038 3.740 -11.014 1.00 53.51 H new ATOM 0 HZ3 LYS A 99 0.964 5.108 -10.919 1.00 53.51 H new ATOM 1689 N ASP A 100 -0.668 1.241 -8.205 1.00 41.20 N ATOM 1690 CA ASP A 100 -1.929 1.791 -8.674 1.00 31.41 C ATOM 1691 C ASP A 100 -1.889 3.317 -8.563 1.00 24.34 C ATOM 1692 O ASP A 100 -0.923 3.879 -8.050 1.00 10.10 O ATOM 1693 CB ASP A 100 -3.099 1.285 -7.829 1.00 64.51 C ATOM 1694 CG ASP A 100 -4.025 0.292 -8.533 1.00 34.41 C ATOM 1695 OD1 ASP A 100 -3.874 0.020 -9.734 1.00 4.35 O ATOM 1696 OD2 ASP A 100 -4.944 -0.220 -7.787 1.00 2.43 O ATOM 0 H ASP A 100 -0.434 1.474 -7.240 1.00 41.20 H new ATOM 0 HA ASP A 100 -2.069 1.477 -9.708 1.00 31.41 H new ATOM 0 HB2 ASP A 100 -2.701 0.813 -6.931 1.00 64.51 H new ATOM 0 HB3 ASP A 100 -3.690 2.142 -7.504 1.00 64.51 H new ATOM 1702 N LYS A 101 -2.950 3.942 -9.050 1.00 74.24 N ATOM 1703 CA LYS A 101 -3.048 5.390 -9.012 1.00 45.13 C ATOM 1704 C LYS A 101 -2.707 5.883 -7.604 1.00 14.41 C ATOM 1705 O LYS A 101 -2.057 6.915 -7.445 1.00 44.44 O ATOM 1706 CB LYS A 101 -4.423 5.847 -9.506 1.00 61.03 C ATOM 1707 CG LYS A 101 -4.638 5.458 -10.970 1.00 1.14 C ATOM 1708 CD LYS A 101 -5.572 6.446 -11.669 1.00 13.14 C ATOM 1709 CE LYS A 101 -4.786 7.618 -12.261 1.00 51.00 C ATOM 1710 NZ LYS A 101 -5.515 8.206 -13.406 1.00 33.55 N ATOM 0 H LYS A 101 -3.750 3.471 -9.473 1.00 74.24 H new ATOM 0 HA LYS A 101 -2.324 5.839 -9.692 1.00 45.13 H new ATOM 0 HB2 LYS A 101 -5.202 5.399 -8.889 1.00 61.03 H new ATOM 0 HB3 LYS A 101 -4.512 6.928 -9.397 1.00 61.03 H new ATOM 0 HG2 LYS A 101 -3.679 5.431 -11.487 1.00 1.14 H new ATOM 0 HG3 LYS A 101 -5.058 4.454 -11.025 1.00 1.14 H new ATOM 0 HD2 LYS A 101 -6.121 5.935 -12.460 1.00 13.14 H new ATOM 0 HD3 LYS A 101 -6.309 6.820 -10.959 1.00 13.14 H new ATOM 0 HE2 LYS A 101 -4.624 8.378 -11.497 1.00 51.00 H new ATOM 0 HE3 LYS A 101 -3.803 7.277 -12.585 1.00 51.00 H new ATOM 0 HZ1 LYS A 101 -4.967 9.000 -13.795 1.00 33.55 H new ATOM 0 HZ2 LYS A 101 -5.647 7.483 -14.142 1.00 33.55 H new ATOM 0 HZ3 LYS A 101 -6.443 8.549 -13.087 1.00 33.55 H new ATOM 1724 N ASP A 102 -3.157 5.121 -6.619 1.00 24.54 N ATOM 1725 CA ASP A 102 -2.906 5.467 -5.230 1.00 44.11 C ATOM 1726 C ASP A 102 -1.459 5.118 -4.876 1.00 52.35 C ATOM 1727 O ASP A 102 -0.858 5.754 -4.011 1.00 42.15 O ATOM 1728 CB ASP A 102 -3.825 4.682 -4.293 1.00 5.45 C ATOM 1729 CG ASP A 102 -4.077 3.228 -4.702 1.00 13.43 C ATOM 1730 OD1 ASP A 102 -5.127 2.649 -4.386 1.00 41.40 O ATOM 1731 OD2 ASP A 102 -3.128 2.682 -5.384 1.00 40.41 O ATOM 0 H ASP A 102 -3.694 4.265 -6.755 1.00 24.54 H new ATOM 0 HA ASP A 102 -3.093 6.534 -5.108 1.00 44.11 H new ATOM 0 HB2 ASP A 102 -3.393 4.693 -3.292 1.00 5.45 H new ATOM 0 HB3 ASP A 102 -4.783 5.198 -4.232 1.00 5.45 H new ATOM 1737 N GLY A 103 -0.941 4.110 -5.561 1.00 12.34 N ATOM 1738 CA GLY A 103 0.424 3.669 -5.330 1.00 1.51 C ATOM 1739 C GLY A 103 0.451 2.359 -4.540 1.00 42.14 C ATOM 1740 O GLY A 103 1.266 1.481 -4.816 1.00 30.21 O ATOM 0 H GLY A 103 -1.443 3.585 -6.277 1.00 12.34 H new ATOM 0 HA2 GLY A 103 0.932 3.533 -6.285 1.00 1.51 H new ATOM 0 HA3 GLY A 103 0.971 4.438 -4.785 1.00 1.51 H new ATOM 1744 N PHE A 104 -0.452 2.269 -3.574 1.00 53.45 N ATOM 1745 CA PHE A 104 -0.541 1.081 -2.742 1.00 12.24 C ATOM 1746 C PHE A 104 -0.724 -0.174 -3.599 1.00 72.13 C ATOM 1747 O PHE A 104 -1.422 -0.144 -4.610 1.00 71.15 O ATOM 1748 CB PHE A 104 -1.768 1.254 -1.845 1.00 72.42 C ATOM 1749 CG PHE A 104 -1.465 1.908 -0.496 1.00 64.25 C ATOM 1750 CD1 PHE A 104 -1.509 3.262 -0.369 1.00 30.24 C ATOM 1751 CD2 PHE A 104 -1.149 1.136 0.578 1.00 73.23 C ATOM 1752 CE1 PHE A 104 -1.228 3.868 0.883 1.00 70.41 C ATOM 1753 CE2 PHE A 104 -0.867 1.741 1.831 1.00 34.41 C ATOM 1754 CZ PHE A 104 -0.911 3.095 1.958 1.00 62.30 C ATOM 0 H PHE A 104 -1.128 2.999 -3.349 1.00 53.45 H new ATOM 0 HA PHE A 104 0.374 0.963 -2.161 1.00 12.24 H new ATOM 0 HB2 PHE A 104 -2.508 1.857 -2.371 1.00 72.42 H new ATOM 0 HB3 PHE A 104 -2.218 0.277 -1.671 1.00 72.42 H new ATOM 0 HD1 PHE A 104 -1.758 3.876 -1.222 1.00 30.24 H new ATOM 0 HD2 PHE A 104 -1.113 0.061 0.478 1.00 73.23 H new ATOM 0 HE1 PHE A 104 -1.266 4.943 0.983 1.00 70.41 H new ATOM 0 HE2 PHE A 104 -0.618 1.127 2.683 1.00 34.41 H new ATOM 0 HZ PHE A 104 -0.695 3.556 2.910 1.00 62.30 H new ATOM 1764 N LEU A 105 -0.083 -1.248 -3.160 1.00 64.23 N ATOM 1765 CA LEU A 105 -0.165 -2.512 -3.874 1.00 0.04 C ATOM 1766 C LEU A 105 -1.419 -3.265 -3.423 1.00 11.52 C ATOM 1767 O LEU A 105 -1.986 -2.964 -2.374 1.00 74.42 O ATOM 1768 CB LEU A 105 1.128 -3.311 -3.700 1.00 42.33 C ATOM 1769 CG LEU A 105 2.119 -3.243 -4.863 1.00 21.41 C ATOM 1770 CD1 LEU A 105 1.960 -4.450 -5.790 1.00 42.30 C ATOM 1771 CD2 LEU A 105 1.989 -1.918 -5.618 1.00 71.12 C ATOM 0 H LEU A 105 0.495 -1.269 -2.320 1.00 64.23 H new ATOM 0 HA LEU A 105 -0.263 -2.339 -4.946 1.00 0.04 H new ATOM 0 HB2 LEU A 105 1.631 -2.959 -2.799 1.00 42.33 H new ATOM 0 HB3 LEU A 105 0.866 -4.356 -3.532 1.00 42.33 H new ATOM 0 HG LEU A 105 3.129 -3.282 -4.454 1.00 21.41 H new ATOM 0 HD11 LEU A 105 2.676 -4.377 -6.608 1.00 42.30 H new ATOM 0 HD12 LEU A 105 2.142 -5.366 -5.229 1.00 42.30 H new ATOM 0 HD13 LEU A 105 0.948 -4.468 -6.194 1.00 42.30 H new ATOM 0 HD21 LEU A 105 2.705 -1.896 -6.440 1.00 71.12 H new ATOM 0 HD22 LEU A 105 0.978 -1.823 -6.015 1.00 71.12 H new ATOM 0 HD23 LEU A 105 2.191 -1.090 -4.938 1.00 71.12 H new ATOM 1783 N TYR A 106 -1.814 -4.230 -4.240 1.00 53.40 N ATOM 1784 CA TYR A 106 -2.992 -5.029 -3.939 1.00 42.31 C ATOM 1785 C TYR A 106 -2.812 -6.471 -4.417 1.00 52.24 C ATOM 1786 O TYR A 106 -2.847 -6.741 -5.618 1.00 34.34 O ATOM 1787 CB TYR A 106 -4.145 -4.388 -4.712 1.00 64.40 C ATOM 1788 CG TYR A 106 -4.683 -3.104 -4.077 1.00 62.10 C ATOM 1789 CD1 TYR A 106 -5.626 -3.175 -3.070 1.00 44.43 C ATOM 1790 CD2 TYR A 106 -4.226 -1.877 -4.509 1.00 34.43 C ATOM 1791 CE1 TYR A 106 -6.132 -1.967 -2.473 1.00 41.03 C ATOM 1792 CE2 TYR A 106 -4.731 -0.669 -3.911 1.00 3.33 C ATOM 1793 CZ TYR A 106 -5.659 -0.773 -2.921 1.00 45.15 C ATOM 1794 OH TYR A 106 -6.138 0.368 -2.356 1.00 44.34 O ATOM 0 H TYR A 106 -1.341 -4.477 -5.109 1.00 53.40 H new ATOM 0 HA TYR A 106 -3.174 -5.056 -2.865 1.00 42.31 H new ATOM 0 HB2 TYR A 106 -3.811 -4.167 -5.726 1.00 64.40 H new ATOM 0 HB3 TYR A 106 -4.959 -5.109 -4.794 1.00 64.40 H new ATOM 0 HD1 TYR A 106 -5.983 -4.136 -2.731 1.00 44.43 H new ATOM 0 HD2 TYR A 106 -3.489 -1.822 -5.296 1.00 34.43 H new ATOM 0 HE1 TYR A 106 -6.871 -2.008 -1.687 1.00 41.03 H new ATOM 0 HE2 TYR A 106 -4.381 0.298 -4.241 1.00 3.33 H new ATOM 0 HH TYR A 106 -5.933 1.131 -2.936 1.00 44.34 H new ATOM 1804 N VAL A 107 -2.621 -7.361 -3.455 1.00 22.34 N ATOM 1805 CA VAL A 107 -2.436 -8.769 -3.763 1.00 40.22 C ATOM 1806 C VAL A 107 -3.577 -9.578 -3.143 1.00 71.32 C ATOM 1807 O VAL A 107 -4.458 -9.016 -2.493 1.00 62.14 O ATOM 1808 CB VAL A 107 -1.054 -9.230 -3.294 1.00 15.44 C ATOM 1809 CG1 VAL A 107 -0.185 -8.037 -2.893 1.00 53.13 C ATOM 1810 CG2 VAL A 107 -1.171 -10.235 -2.146 1.00 51.41 C ATOM 0 H VAL A 107 -2.590 -7.134 -2.461 1.00 22.34 H new ATOM 0 HA VAL A 107 -2.471 -8.931 -4.840 1.00 40.22 H new ATOM 0 HB VAL A 107 -0.567 -9.733 -4.130 1.00 15.44 H new ATOM 0 HG11 VAL A 107 0.791 -8.392 -2.564 1.00 53.13 H new ATOM 0 HG12 VAL A 107 -0.060 -7.374 -3.749 1.00 53.13 H new ATOM 0 HG13 VAL A 107 -0.666 -7.493 -2.080 1.00 53.13 H new ATOM 0 HG21 VAL A 107 -0.175 -10.546 -1.832 1.00 51.41 H new ATOM 0 HG22 VAL A 107 -1.687 -9.770 -1.306 1.00 51.41 H new ATOM 0 HG23 VAL A 107 -1.734 -11.106 -2.481 1.00 51.41 H new ATOM 1820 N THR A 108 -3.524 -10.883 -3.364 1.00 21.14 N ATOM 1821 CA THR A 108 -4.542 -11.773 -2.834 1.00 55.41 C ATOM 1822 C THR A 108 -3.965 -13.172 -2.614 1.00 62.50 C ATOM 1823 O THR A 108 -3.628 -13.867 -3.572 1.00 11.44 O ATOM 1824 CB THR A 108 -5.733 -11.752 -3.794 1.00 74.21 C ATOM 1825 OG1 THR A 108 -5.715 -10.437 -4.340 1.00 40.54 O ATOM 1826 CG2 THR A 108 -7.076 -11.833 -3.062 1.00 22.42 C ATOM 0 H THR A 108 -2.792 -11.345 -3.903 1.00 21.14 H new ATOM 0 HA THR A 108 -4.888 -11.440 -1.855 1.00 55.41 H new ATOM 0 HB THR A 108 -5.650 -12.583 -4.494 1.00 74.21 H new ATOM 0 HG1 THR A 108 -6.455 -10.336 -4.975 1.00 40.54 H new ATOM 0 HG21 THR A 108 -7.888 -11.814 -3.789 1.00 22.42 H new ATOM 0 HG22 THR A 108 -7.123 -12.759 -2.489 1.00 22.42 H new ATOM 0 HG23 THR A 108 -7.174 -10.983 -2.387 1.00 22.42 H new ATOM 1834 N TYR A 109 -3.867 -13.546 -1.346 1.00 43.11 N ATOM 1835 CA TYR A 109 -3.337 -14.848 -0.987 1.00 32.00 C ATOM 1836 C TYR A 109 -4.463 -15.866 -0.794 1.00 31.13 C ATOM 1837 O TYR A 109 -5.449 -15.584 -0.113 1.00 1.41 O ATOM 1838 CB TYR A 109 -2.606 -14.655 0.343 1.00 63.54 C ATOM 1839 CG TYR A 109 -3.535 -14.526 1.551 1.00 53.43 C ATOM 1840 CD1 TYR A 109 -4.068 -13.297 1.883 1.00 61.31 C ATOM 1841 CD2 TYR A 109 -3.841 -15.638 2.309 1.00 21.34 C ATOM 1842 CE1 TYR A 109 -4.944 -13.175 3.020 1.00 51.34 C ATOM 1843 CE2 TYR A 109 -4.716 -15.517 3.445 1.00 12.40 C ATOM 1844 CZ TYR A 109 -5.224 -14.292 3.745 1.00 12.31 C ATOM 1845 OH TYR A 109 -6.051 -14.177 4.819 1.00 35.34 O ATOM 0 H TYR A 109 -4.147 -12.967 -0.554 1.00 43.11 H new ATOM 0 HA TYR A 109 -2.682 -15.224 -1.773 1.00 32.00 H new ATOM 0 HB2 TYR A 109 -1.935 -15.499 0.502 1.00 63.54 H new ATOM 0 HB3 TYR A 109 -1.985 -13.761 0.278 1.00 63.54 H new ATOM 0 HD1 TYR A 109 -3.828 -12.427 1.290 1.00 61.31 H new ATOM 0 HD2 TYR A 109 -3.423 -16.600 2.049 1.00 21.34 H new ATOM 0 HE1 TYR A 109 -5.369 -12.220 3.291 1.00 51.34 H new ATOM 0 HE2 TYR A 109 -4.964 -16.380 4.046 1.00 12.40 H new ATOM 0 HH TYR A 109 -6.163 -15.054 5.241 1.00 35.34 H new ATOM 1855 N SER A 110 -4.281 -17.028 -1.402 1.00 65.21 N ATOM 1856 CA SER A 110 -5.269 -18.088 -1.304 1.00 13.24 C ATOM 1857 C SER A 110 -4.585 -19.411 -0.951 1.00 41.23 C ATOM 1858 O SER A 110 -3.415 -19.614 -1.271 1.00 40.25 O ATOM 1859 CB SER A 110 -6.055 -18.229 -2.609 1.00 42.53 C ATOM 1860 OG SER A 110 -6.145 -16.995 -3.315 1.00 73.50 O ATOM 0 H SER A 110 -3.463 -17.259 -1.965 1.00 65.21 H new ATOM 0 HA SER A 110 -5.972 -17.828 -0.513 1.00 13.24 H new ATOM 0 HB2 SER A 110 -5.575 -18.975 -3.243 1.00 42.53 H new ATOM 0 HB3 SER A 110 -7.058 -18.595 -2.390 1.00 42.53 H new ATOM 0 HG SER A 110 -6.568 -17.146 -4.186 1.00 73.50 H new ATOM 1866 N GLY A 111 -5.345 -20.276 -0.296 1.00 54.34 N ATOM 1867 CA GLY A 111 -4.827 -21.574 0.105 1.00 10.15 C ATOM 1868 C GLY A 111 -4.392 -22.390 -1.114 1.00 11.13 C ATOM 1869 O GLY A 111 -3.310 -22.976 -1.117 1.00 34.05 O ATOM 0 H GLY A 111 -6.315 -20.104 -0.033 1.00 54.34 H new ATOM 0 HA2 GLY A 111 -3.980 -21.440 0.778 1.00 10.15 H new ATOM 0 HA3 GLY A 111 -5.591 -22.120 0.659 1.00 10.15 H new ATOM 1873 N GLU A 112 -5.254 -22.401 -2.119 1.00 51.04 N ATOM 1874 CA GLU A 112 -4.971 -23.136 -3.340 1.00 65.25 C ATOM 1875 C GLU A 112 -4.239 -22.239 -4.341 1.00 62.14 C ATOM 1876 O GLU A 112 -4.267 -21.016 -4.221 1.00 15.24 O ATOM 1877 CB GLU A 112 -6.256 -23.702 -3.948 1.00 35.22 C ATOM 1878 CG GLU A 112 -7.209 -22.578 -4.360 1.00 43.23 C ATOM 1879 CD GLU A 112 -8.446 -23.139 -5.065 1.00 13.11 C ATOM 1880 OE1 GLU A 112 -8.599 -24.365 -5.164 1.00 1.43 O ATOM 1881 OE2 GLU A 112 -9.265 -22.251 -5.518 1.00 41.42 O ATOM 0 H GLU A 112 -6.149 -21.912 -2.113 1.00 51.04 H new ATOM 0 HA GLU A 112 -4.323 -23.977 -3.094 1.00 65.25 H new ATOM 0 HB2 GLU A 112 -6.013 -24.314 -4.817 1.00 35.22 H new ATOM 0 HB3 GLU A 112 -6.748 -24.354 -3.226 1.00 35.22 H new ATOM 0 HG2 GLU A 112 -7.513 -22.013 -3.479 1.00 43.23 H new ATOM 0 HG3 GLU A 112 -6.693 -21.883 -5.022 1.00 43.23 H new ATOM 1889 N ASN A 113 -3.599 -22.884 -5.305 1.00 71.13 N ATOM 1890 CA ASN A 113 -2.860 -22.160 -6.326 1.00 34.31 C ATOM 1891 C ASN A 113 -3.795 -21.836 -7.493 1.00 20.23 C ATOM 1892 O ASN A 113 -3.429 -22.013 -8.654 1.00 34.14 O ATOM 1893 CB ASN A 113 -1.703 -23.002 -6.868 1.00 45.03 C ATOM 1894 CG ASN A 113 -0.935 -22.243 -7.952 1.00 12.10 C ATOM 1895 OD1 ASN A 113 -1.021 -22.539 -9.133 1.00 30.35 O ATOM 1896 ND2 ASN A 113 -0.182 -21.251 -7.489 1.00 31.33 N ATOM 0 H ASN A 113 -3.577 -23.899 -5.401 1.00 71.13 H new ATOM 0 HA ASN A 113 -2.465 -21.250 -5.875 1.00 34.31 H new ATOM 0 HB2 ASN A 113 -1.027 -23.265 -6.054 1.00 45.03 H new ATOM 0 HB3 ASN A 113 -2.088 -23.936 -7.276 1.00 45.03 H new ATOM 0 HD21 ASN A 113 0.369 -20.685 -8.134 1.00 31.33 H new ATOM 0 HD22 ASN A 113 -0.155 -21.056 -6.488 1.00 31.33 H new ATOM 2441 N ILE B 629 4.292 -7.648 8.757 1.00 24.41 N ATOM 2442 CA ILE B 629 3.550 -7.310 7.554 1.00 43.42 C ATOM 2443 C ILE B 629 4.473 -7.438 6.339 1.00 31.11 C ATOM 2444 O ILE B 629 4.163 -6.928 5.263 1.00 23.45 O ATOM 2445 CB ILE B 629 2.906 -5.930 7.693 1.00 50.14 C ATOM 2446 CG1 ILE B 629 3.758 -5.010 8.571 1.00 52.51 C ATOM 2447 CG2 ILE B 629 1.470 -6.045 8.210 1.00 41.43 C ATOM 2448 CD1 ILE B 629 5.089 -4.683 7.889 1.00 61.41 C ATOM 0 HA ILE B 629 2.726 -8.008 7.405 1.00 43.42 H new ATOM 0 HB ILE B 629 2.858 -5.476 6.703 1.00 50.14 H new ATOM 0 HG12 ILE B 629 3.213 -4.088 8.775 1.00 52.51 H new ATOM 0 HG13 ILE B 629 3.945 -5.489 9.532 1.00 52.51 H new ATOM 0 HG21 ILE B 629 1.035 -5.050 8.300 1.00 41.43 H new ATOM 0 HG22 ILE B 629 0.879 -6.638 7.512 1.00 41.43 H new ATOM 0 HG23 ILE B 629 1.473 -6.529 9.186 1.00 41.43 H new ATOM 0 HD11 ILE B 629 5.676 -4.028 8.533 1.00 61.41 H new ATOM 0 HD12 ILE B 629 5.642 -5.605 7.709 1.00 61.41 H new ATOM 0 HD13 ILE B 629 4.898 -4.183 6.940 1.00 61.41 H new ATOM 2460 N ALA B 630 5.589 -8.119 6.553 1.00 41.41 N ATOM 2461 CA ALA B 630 6.557 -8.321 5.490 1.00 34.31 C ATOM 2462 C ALA B 630 6.155 -9.544 4.663 1.00 73.25 C ATOM 2463 O ALA B 630 7.010 -10.235 4.111 1.00 11.20 O ATOM 2464 CB ALA B 630 7.957 -8.460 6.093 1.00 15.34 C ATOM 0 H ALA B 630 5.844 -8.538 7.447 1.00 41.41 H new ATOM 0 HA ALA B 630 6.574 -7.462 4.820 1.00 34.31 H new ATOM 0 HB1 ALA B 630 8.684 -8.612 5.295 1.00 15.34 H new ATOM 0 HB2 ALA B 630 8.207 -7.554 6.644 1.00 15.34 H new ATOM 0 HB3 ALA B 630 7.978 -9.314 6.770 1.00 15.34 H new