USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 652 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 GLN : amide:sc= -0.0408 X(o=-0.041,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 140:sc= -1.22 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 166:sc= 1.24 (180deg=1.16) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc=-0.00904 X(o=-0.009,f=0) USER MOD Single : A 27 ASN :FLIP amide:sc= -1.24 F(o=-1.8!,f=-1.2) USER MOD Single : A 28 ASN : amide:sc= -0.31 K(o=-0.31,f=-2.7!) USER MOD Single : A 31 ASN : amide:sc= -0.524 K(o=-0.52,f=-3!) USER MOD Single : A 47 GLN : amide:sc= -17.4! C(o=-17!,f=-26!) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.125 USER MOD Single : A 50 MET CE :methyl -178:sc= -4.94! (180deg=-5.32!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0982 USER MOD Single : A 61 HIS : no HE2:sc= -2.53! C(o=-2.5!,f=-4.9!) USER MOD Single : A 65 TYR OH : rot 180:sc= -2.11 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl -149:sc= -4.58! (180deg=-6.05!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.137 X(o=-0.14,f=-0.0011) USER MOD Single : A 87 TYR OH : rot -49:sc= 0.415 USER MOD Single : A 97 THR OG1 : rot 20:sc= 0.726 USER MOD Single : A 100 ASN : amide:sc= -1.59 K(o=-1.6,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 94 N GLN A 7 -10.379 5.127 6.207 1.00 0.00 N ATOM 95 CA GLN A 7 -10.633 5.073 4.777 1.00 0.00 C ATOM 96 C GLN A 7 -9.943 6.242 4.071 1.00 0.00 C ATOM 97 O GLN A 7 -10.415 7.376 4.134 1.00 0.00 O ATOM 98 CB GLN A 7 -12.135 5.067 4.486 1.00 0.00 C ATOM 99 CG GLN A 7 -12.558 3.759 3.814 1.00 0.00 C ATOM 100 CD GLN A 7 -14.012 3.830 3.343 1.00 0.00 C ATOM 101 OE1 GLN A 7 -14.877 3.105 3.806 1.00 0.00 O ATOM 102 NE2 GLN A 7 -14.231 4.741 2.400 1.00 0.00 N ATOM 0 HA GLN A 7 -10.218 4.143 4.389 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -12.690 5.199 5.415 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -12.388 5.909 3.842 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -11.906 3.555 2.964 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -12.438 2.931 4.513 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -13.461 5.315 2.057 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -15.169 4.866 2.020 1.00 0.00 H new ATOM 111 N PHE A 8 -8.836 5.926 3.415 1.00 0.00 N ATOM 112 CA PHE A 8 -8.077 6.936 2.698 1.00 0.00 C ATOM 113 C PHE A 8 -7.970 6.589 1.211 1.00 0.00 C ATOM 114 O PHE A 8 -7.516 5.503 0.854 1.00 0.00 O ATOM 115 CB PHE A 8 -6.673 6.955 3.306 1.00 0.00 C ATOM 116 CG PHE A 8 -5.761 5.834 2.804 1.00 0.00 C ATOM 117 CD1 PHE A 8 -5.730 4.640 3.454 1.00 0.00 C ATOM 118 CD2 PHE A 8 -4.982 6.031 1.706 1.00 0.00 C ATOM 119 CE1 PHE A 8 -4.884 3.599 2.988 1.00 0.00 C ATOM 120 CE2 PHE A 8 -4.136 4.990 1.240 1.00 0.00 C ATOM 121 CZ PHE A 8 -4.105 3.796 1.891 1.00 0.00 C ATOM 0 H PHE A 8 -8.447 4.985 3.365 1.00 0.00 H new ATOM 0 HA PHE A 8 -8.572 7.904 2.784 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.206 7.915 3.086 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -6.757 6.883 4.390 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -6.349 4.483 4.325 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -5.007 6.979 1.189 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.859 2.651 3.505 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -3.517 5.146 0.369 1.00 0.00 H new ATOM 0 HZ PHE A 8 -3.462 3.004 1.537 1.00 0.00 H new ATOM 131 N ILE A 9 -8.398 7.532 0.384 1.00 0.00 N ATOM 132 CA ILE A 9 -8.356 7.340 -1.055 1.00 0.00 C ATOM 133 C ILE A 9 -6.910 7.456 -1.540 1.00 0.00 C ATOM 134 O ILE A 9 -6.182 8.356 -1.124 1.00 0.00 O ATOM 135 CB ILE A 9 -9.317 8.306 -1.752 1.00 0.00 C ATOM 136 CG1 ILE A 9 -10.734 8.170 -1.191 1.00 0.00 C ATOM 137 CG2 ILE A 9 -9.281 8.115 -3.270 1.00 0.00 C ATOM 138 CD1 ILE A 9 -11.531 7.117 -1.963 1.00 0.00 C ATOM 0 H ILE A 9 -8.775 8.431 0.684 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.700 6.339 -1.315 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.986 9.324 -1.547 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.687 7.895 -0.137 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -11.245 9.131 -1.247 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -9.973 8.813 -3.741 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -8.271 8.301 -3.636 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -9.573 7.094 -3.515 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.534 7.040 -1.544 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -11.597 7.407 -3.012 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -11.030 6.152 -1.884 1.00 0.00 H new ATOM 150 N PHE A 10 -6.536 6.531 -2.412 1.00 0.00 N ATOM 151 CA PHE A 10 -5.189 6.518 -2.957 1.00 0.00 C ATOM 152 C PHE A 10 -5.134 5.722 -4.263 1.00 0.00 C ATOM 153 O PHE A 10 -5.578 4.576 -4.315 1.00 0.00 O ATOM 154 CB PHE A 10 -4.294 5.836 -1.921 1.00 0.00 C ATOM 155 CG PHE A 10 -2.796 5.995 -2.192 1.00 0.00 C ATOM 156 CD1 PHE A 10 -2.256 7.236 -2.324 1.00 0.00 C ATOM 157 CD2 PHE A 10 -2.005 4.894 -2.301 1.00 0.00 C ATOM 158 CE1 PHE A 10 -0.867 7.383 -2.575 1.00 0.00 C ATOM 159 CE2 PHE A 10 -0.615 5.041 -2.552 1.00 0.00 C ATOM 160 CZ PHE A 10 -0.075 6.282 -2.684 1.00 0.00 C ATOM 0 H PHE A 10 -7.142 5.785 -2.754 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.863 7.536 -3.169 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.520 6.244 -0.936 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -4.536 4.774 -1.889 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -2.884 8.110 -2.238 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.434 3.908 -2.197 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.439 8.369 -2.680 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.013 4.167 -2.638 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.982 6.394 -2.875 1.00 0.00 H new ATOM 170 N LYS A 11 -4.585 6.361 -5.285 1.00 0.00 N ATOM 171 CA LYS A 11 -4.466 5.728 -6.588 1.00 0.00 C ATOM 172 C LYS A 11 -3.098 5.053 -6.699 1.00 0.00 C ATOM 173 O LYS A 11 -2.068 5.725 -6.694 1.00 0.00 O ATOM 174 CB LYS A 11 -4.746 6.737 -7.702 1.00 0.00 C ATOM 175 CG LYS A 11 -6.160 7.310 -7.581 1.00 0.00 C ATOM 176 CD LYS A 11 -7.204 6.300 -8.062 1.00 0.00 C ATOM 177 CE LYS A 11 -8.543 6.518 -7.356 1.00 0.00 C ATOM 178 NZ LYS A 11 -9.586 5.646 -7.941 1.00 0.00 N ATOM 0 H LYS A 11 -4.217 7.311 -5.238 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.218 4.947 -6.702 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.017 7.546 -7.656 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.627 6.255 -8.672 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.360 7.579 -6.544 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.237 8.225 -8.168 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.337 6.395 -9.140 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.849 5.287 -7.872 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.438 6.306 -6.292 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.842 7.562 -7.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.489 5.807 -7.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.697 5.867 -8.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.306 4.650 -7.834 1.00 0.00 H new ATOM 192 N VAL A 12 -3.131 3.732 -6.795 1.00 0.00 N ATOM 193 CA VAL A 12 -1.906 2.959 -6.907 1.00 0.00 C ATOM 194 C VAL A 12 -2.040 1.963 -8.061 1.00 0.00 C ATOM 195 O VAL A 12 -2.985 1.176 -8.099 1.00 0.00 O ATOM 196 CB VAL A 12 -1.587 2.286 -5.570 1.00 0.00 C ATOM 197 CG1 VAL A 12 -1.862 0.782 -5.634 1.00 0.00 C ATOM 198 CG2 VAL A 12 -0.143 2.562 -5.147 1.00 0.00 C ATOM 0 H VAL A 12 -3.987 3.177 -6.798 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.063 3.611 -7.136 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.245 2.715 -4.814 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.627 0.328 -4.671 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.913 0.614 -5.868 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.242 0.331 -6.409 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.057 2.072 -4.194 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.538 2.174 -5.904 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.006 3.637 -5.041 1.00 0.00 H new ATOM 208 N THR A 13 -1.081 2.029 -8.972 1.00 0.00 N ATOM 209 CA THR A 13 -1.080 1.143 -10.124 1.00 0.00 C ATOM 210 C THR A 13 -1.053 -0.319 -9.672 1.00 0.00 C ATOM 211 O THR A 13 -0.525 -0.633 -8.606 1.00 0.00 O ATOM 212 CB THR A 13 0.104 1.525 -11.014 1.00 0.00 C ATOM 213 OG1 THR A 13 1.187 1.684 -10.101 1.00 0.00 O ATOM 214 CG2 THR A 13 -0.059 2.910 -11.643 1.00 0.00 C ATOM 0 H THR A 13 -0.299 2.683 -8.936 1.00 0.00 H new ATOM 0 HA THR A 13 -1.993 1.254 -10.708 1.00 0.00 H new ATOM 0 HB THR A 13 0.221 0.780 -11.801 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.003 1.307 -10.492 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.808 3.132 -12.265 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.959 2.927 -12.257 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.142 3.660 -10.856 1.00 0.00 H new ATOM 222 N ASP A 14 -1.630 -1.173 -10.504 1.00 0.00 N ATOM 223 CA ASP A 14 -1.679 -2.594 -10.204 1.00 0.00 C ATOM 224 C ASP A 14 -0.261 -3.104 -9.938 1.00 0.00 C ATOM 225 O ASP A 14 -0.073 -4.068 -9.197 1.00 0.00 O ATOM 226 CB ASP A 14 -2.253 -3.386 -11.380 1.00 0.00 C ATOM 227 CG ASP A 14 -3.709 -3.825 -11.214 1.00 0.00 C ATOM 228 OD1 ASP A 14 -4.152 -3.894 -10.047 1.00 0.00 O ATOM 229 OD2 ASP A 14 -4.347 -4.083 -12.257 1.00 0.00 O ATOM 0 H ASP A 14 -2.068 -0.908 -11.386 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.317 -2.732 -9.331 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.173 -2.778 -12.281 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.638 -4.272 -11.537 1.00 0.00 H new ATOM 234 N LYS A 15 0.700 -2.434 -10.557 1.00 0.00 N ATOM 235 CA LYS A 15 2.095 -2.807 -10.396 1.00 0.00 C ATOM 236 C LYS A 15 2.509 -2.601 -8.938 1.00 0.00 C ATOM 237 O LYS A 15 3.246 -3.411 -8.378 1.00 0.00 O ATOM 238 CB LYS A 15 2.971 -2.050 -11.397 1.00 0.00 C ATOM 239 CG LYS A 15 3.946 -2.998 -12.098 1.00 0.00 C ATOM 240 CD LYS A 15 5.179 -2.243 -12.599 1.00 0.00 C ATOM 241 CE LYS A 15 6.005 -3.112 -13.550 1.00 0.00 C ATOM 242 NZ LYS A 15 6.602 -2.284 -14.622 1.00 0.00 N ATOM 0 H LYS A 15 0.540 -1.635 -11.171 1.00 0.00 H new ATOM 0 HA LYS A 15 2.235 -3.864 -10.621 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.341 -1.558 -12.138 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.527 -1.267 -10.880 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.252 -3.785 -11.409 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.447 -3.484 -12.936 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.869 -1.332 -13.110 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.794 -1.940 -11.751 1.00 0.00 H new ATOM 0 HE2 LYS A 15 6.792 -3.622 -12.995 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.373 -3.884 -13.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 7.159 -2.889 -15.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 5.846 -1.817 -15.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 7.221 -1.563 -14.200 1.00 0.00 H new ATOM 256 N ALA A 16 2.016 -1.513 -8.364 1.00 0.00 N ATOM 257 CA ALA A 16 2.326 -1.190 -6.982 1.00 0.00 C ATOM 258 C ALA A 16 1.701 -2.243 -6.064 1.00 0.00 C ATOM 259 O ALA A 16 2.403 -2.900 -5.297 1.00 0.00 O ATOM 260 CB ALA A 16 1.836 0.224 -6.665 1.00 0.00 C ATOM 0 H ALA A 16 1.404 -0.844 -8.831 1.00 0.00 H new ATOM 0 HA ALA A 16 3.403 -1.206 -6.817 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.069 0.466 -5.628 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.331 0.937 -7.324 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.758 0.278 -6.817 1.00 0.00 H new ATOM 266 N VAL A 17 0.386 -2.371 -6.173 1.00 0.00 N ATOM 267 CA VAL A 17 -0.342 -3.333 -5.363 1.00 0.00 C ATOM 268 C VAL A 17 0.270 -4.722 -5.556 1.00 0.00 C ATOM 269 O VAL A 17 0.517 -5.436 -4.585 1.00 0.00 O ATOM 270 CB VAL A 17 -1.832 -3.283 -5.705 1.00 0.00 C ATOM 271 CG1 VAL A 17 -2.418 -4.692 -5.809 1.00 0.00 C ATOM 272 CG2 VAL A 17 -2.601 -2.443 -4.683 1.00 0.00 C ATOM 0 H VAL A 17 -0.194 -1.824 -6.810 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.257 -3.085 -4.305 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.937 -2.804 -6.679 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.478 -4.628 -6.053 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.898 -5.245 -6.591 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.295 -5.208 -4.857 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.658 -2.424 -4.949 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.485 -2.880 -3.691 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.209 -1.426 -4.679 1.00 0.00 H new ATOM 282 N GLU A 18 0.496 -5.064 -6.816 1.00 0.00 N ATOM 283 CA GLU A 18 1.073 -6.355 -7.149 1.00 0.00 C ATOM 284 C GLU A 18 2.419 -6.533 -6.442 1.00 0.00 C ATOM 285 O GLU A 18 2.726 -7.617 -5.948 1.00 0.00 O ATOM 286 CB GLU A 18 1.224 -6.515 -8.663 1.00 0.00 C ATOM 287 CG GLU A 18 -0.103 -6.922 -9.306 1.00 0.00 C ATOM 288 CD GLU A 18 0.021 -6.977 -10.830 1.00 0.00 C ATOM 289 OE1 GLU A 18 1.169 -7.131 -11.301 1.00 0.00 O ATOM 290 OE2 GLU A 18 -1.034 -6.864 -11.490 1.00 0.00 O ATOM 0 H GLU A 18 0.290 -4.469 -7.619 1.00 0.00 H new ATOM 0 HA GLU A 18 0.395 -7.134 -6.801 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.571 -5.578 -9.099 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.983 -7.267 -8.879 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.411 -7.896 -8.927 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.880 -6.211 -9.026 1.00 0.00 H new ATOM 297 N GLU A 19 3.185 -5.452 -6.416 1.00 0.00 N ATOM 298 CA GLU A 19 4.490 -5.475 -5.778 1.00 0.00 C ATOM 299 C GLU A 19 4.395 -6.129 -4.398 1.00 0.00 C ATOM 300 O GLU A 19 5.334 -6.787 -3.953 1.00 0.00 O ATOM 301 CB GLU A 19 5.075 -4.065 -5.677 1.00 0.00 C ATOM 302 CG GLU A 19 6.525 -4.107 -5.189 1.00 0.00 C ATOM 303 CD GLU A 19 7.397 -4.937 -6.133 1.00 0.00 C ATOM 304 OE1 GLU A 19 7.656 -4.439 -7.251 1.00 0.00 O ATOM 305 OE2 GLU A 19 7.785 -6.049 -5.717 1.00 0.00 O ATOM 0 H GLU A 19 2.927 -4.555 -6.827 1.00 0.00 H new ATOM 0 HA GLU A 19 5.164 -6.070 -6.395 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.029 -3.578 -6.651 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.474 -3.466 -4.992 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.919 -3.093 -5.121 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.563 -4.531 -4.186 1.00 0.00 H new ATOM 312 N ILE A 20 3.252 -5.927 -3.760 1.00 0.00 N ATOM 313 CA ILE A 20 3.022 -6.489 -2.440 1.00 0.00 C ATOM 314 C ILE A 20 2.716 -7.982 -2.573 1.00 0.00 C ATOM 315 O ILE A 20 3.215 -8.793 -1.795 1.00 0.00 O ATOM 316 CB ILE A 20 1.936 -5.702 -1.704 1.00 0.00 C ATOM 317 CG1 ILE A 20 2.374 -4.255 -1.466 1.00 0.00 C ATOM 318 CG2 ILE A 20 1.538 -6.402 -0.403 1.00 0.00 C ATOM 319 CD1 ILE A 20 2.442 -3.479 -2.783 1.00 0.00 C ATOM 0 H ILE A 20 2.475 -5.382 -4.133 1.00 0.00 H new ATOM 0 HA ILE A 20 3.919 -6.400 -1.826 1.00 0.00 H new ATOM 0 HB ILE A 20 1.049 -5.670 -2.337 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.675 -3.766 -0.788 1.00 0.00 H new ATOM 0 HG13 ILE A 20 3.350 -4.242 -0.981 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.765 -5.822 0.100 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.156 -7.398 -0.628 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.409 -6.486 0.246 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.756 -2.454 -2.586 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.160 -3.956 -3.450 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.459 -3.473 -3.253 1.00 0.00 H new ATOM 331 N LYS A 21 1.897 -8.300 -3.564 1.00 0.00 N ATOM 332 CA LYS A 21 1.518 -9.681 -3.809 1.00 0.00 C ATOM 333 C LYS A 21 2.779 -10.543 -3.894 1.00 0.00 C ATOM 334 O LYS A 21 2.795 -11.674 -3.411 1.00 0.00 O ATOM 335 CB LYS A 21 0.621 -9.780 -5.044 1.00 0.00 C ATOM 336 CG LYS A 21 -0.667 -8.976 -4.853 1.00 0.00 C ATOM 337 CD LYS A 21 -1.564 -9.074 -6.088 1.00 0.00 C ATOM 338 CE LYS A 21 -3.042 -9.046 -5.696 1.00 0.00 C ATOM 339 NZ LYS A 21 -3.884 -9.529 -6.814 1.00 0.00 N ATOM 0 H LYS A 21 1.485 -7.624 -4.207 1.00 0.00 H new ATOM 0 HA LYS A 21 0.923 -10.066 -2.981 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.158 -9.411 -5.918 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.377 -10.824 -5.237 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.204 -9.345 -3.979 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.422 -7.932 -4.659 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.348 -8.248 -6.765 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.345 -9.995 -6.629 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.203 -9.669 -4.816 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.333 -8.031 -5.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.843 -9.729 -6.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.930 -8.800 -7.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.471 -10.398 -7.209 1.00 0.00 H new ATOM 353 N LYS A 22 3.804 -9.976 -4.513 1.00 0.00 N ATOM 354 CA LYS A 22 5.067 -10.679 -4.667 1.00 0.00 C ATOM 355 C LYS A 22 5.820 -10.665 -3.336 1.00 0.00 C ATOM 356 O LYS A 22 6.307 -11.700 -2.883 1.00 0.00 O ATOM 357 CB LYS A 22 5.866 -10.094 -5.833 1.00 0.00 C ATOM 358 CG LYS A 22 6.046 -11.126 -6.948 1.00 0.00 C ATOM 359 CD LYS A 22 7.042 -10.630 -7.999 1.00 0.00 C ATOM 360 CE LYS A 22 6.506 -10.860 -9.413 1.00 0.00 C ATOM 361 NZ LYS A 22 7.609 -11.215 -10.334 1.00 0.00 N ATOM 0 H LYS A 22 3.786 -9.038 -4.914 1.00 0.00 H new ATOM 0 HA LYS A 22 4.893 -11.724 -4.923 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.353 -9.216 -6.225 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.842 -9.762 -5.479 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.397 -12.067 -6.524 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.084 -11.328 -7.420 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.237 -9.568 -7.848 1.00 0.00 H new ATOM 0 HD3 LYS A 22 7.993 -11.149 -7.878 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.763 -11.658 -9.401 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.003 -9.961 -9.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.228 -11.368 -11.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.304 -10.442 -10.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.071 -12.086 -10.003 1.00 0.00 H new ATOM 375 N VAL A 23 5.892 -9.481 -2.746 1.00 0.00 N ATOM 376 CA VAL A 23 6.578 -9.318 -1.475 1.00 0.00 C ATOM 377 C VAL A 23 5.945 -10.246 -0.437 1.00 0.00 C ATOM 378 O VAL A 23 6.647 -10.843 0.378 1.00 0.00 O ATOM 379 CB VAL A 23 6.557 -7.847 -1.054 1.00 0.00 C ATOM 380 CG1 VAL A 23 6.445 -7.714 0.466 1.00 0.00 C ATOM 381 CG2 VAL A 23 7.789 -7.109 -1.580 1.00 0.00 C ATOM 0 H VAL A 23 5.487 -8.625 -3.125 1.00 0.00 H new ATOM 0 HA VAL A 23 7.627 -9.601 -1.567 1.00 0.00 H new ATOM 0 HB VAL A 23 5.675 -7.384 -1.497 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.432 -6.659 0.739 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.524 -8.188 0.806 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.299 -8.200 0.938 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.749 -6.066 -1.267 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.690 -7.574 -1.180 1.00 0.00 H new ATOM 0 HG23 VAL A 23 7.807 -7.161 -2.669 1.00 0.00 H new ATOM 391 N ALA A 24 4.625 -10.340 -0.499 1.00 0.00 N ATOM 392 CA ALA A 24 3.889 -11.185 0.425 1.00 0.00 C ATOM 393 C ALA A 24 4.065 -12.650 0.021 1.00 0.00 C ATOM 394 O ALA A 24 4.239 -13.517 0.875 1.00 0.00 O ATOM 395 CB ALA A 24 2.420 -10.759 0.449 1.00 0.00 C ATOM 0 H ALA A 24 4.046 -9.844 -1.176 1.00 0.00 H new ATOM 0 HA ALA A 24 4.277 -11.074 1.438 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.868 -11.394 1.143 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.348 -9.720 0.772 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.996 -10.859 -0.550 1.00 0.00 H new ATOM 401 N GLN A 25 4.015 -12.881 -1.283 1.00 0.00 N ATOM 402 CA GLN A 25 4.166 -14.226 -1.812 1.00 0.00 C ATOM 403 C GLN A 25 5.406 -14.894 -1.213 1.00 0.00 C ATOM 404 O GLN A 25 5.345 -16.041 -0.771 1.00 0.00 O ATOM 405 CB GLN A 25 4.236 -14.210 -3.340 1.00 0.00 C ATOM 406 CG GLN A 25 2.975 -14.824 -3.952 1.00 0.00 C ATOM 407 CD GLN A 25 3.334 -15.874 -5.006 1.00 0.00 C ATOM 408 OE1 GLN A 25 3.998 -15.601 -5.992 1.00 0.00 O ATOM 409 NE2 GLN A 25 2.858 -17.088 -4.742 1.00 0.00 N ATOM 0 H GLN A 25 3.872 -12.159 -1.989 1.00 0.00 H new ATOM 0 HA GLN A 25 3.289 -14.808 -1.528 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.353 -13.185 -3.692 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.113 -14.764 -3.673 1.00 0.00 H new ATOM 0 HG2 GLN A 25 2.371 -15.282 -3.168 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.368 -14.041 -4.406 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.309 -17.248 -3.898 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.042 -17.859 -5.384 1.00 0.00 H new ATOM 418 N GLU A 26 6.502 -14.150 -1.219 1.00 0.00 N ATOM 419 CA GLU A 26 7.753 -14.656 -0.682 1.00 0.00 C ATOM 420 C GLU A 26 7.657 -14.808 0.837 1.00 0.00 C ATOM 421 O GLU A 26 8.509 -15.443 1.456 1.00 0.00 O ATOM 422 CB GLU A 26 8.923 -13.749 -1.069 1.00 0.00 C ATOM 423 CG GLU A 26 10.235 -14.534 -1.113 1.00 0.00 C ATOM 424 CD GLU A 26 11.418 -13.647 -0.717 1.00 0.00 C ATOM 425 OE1 GLU A 26 11.493 -12.525 -1.262 1.00 0.00 O ATOM 426 OE2 GLU A 26 12.220 -14.113 0.121 1.00 0.00 O ATOM 0 H GLU A 26 6.549 -13.200 -1.588 1.00 0.00 H new ATOM 0 HA GLU A 26 7.939 -15.639 -1.115 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.732 -13.299 -2.043 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.008 -12.933 -0.352 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.175 -15.388 -0.439 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.393 -14.930 -2.116 1.00 0.00 H new ATOM 433 N ASN A 27 6.612 -14.214 1.394 1.00 0.00 N ATOM 434 CA ASN A 27 6.393 -14.275 2.829 1.00 0.00 C ATOM 435 C ASN A 27 5.180 -15.162 3.118 1.00 0.00 C ATOM 436 O ASN A 27 4.814 -15.361 4.275 1.00 0.00 O ATOM 437 CB ASN A 27 6.110 -12.885 3.403 1.00 0.00 C ATOM 438 CG ASN A 27 7.290 -11.942 3.162 1.00 0.00 C ATOM 439 OD1 ASN A 27 6.934 -10.695 2.865 1.00 0.00 O flip ATOM 440 ND2 ASN A 27 8.447 -12.321 3.241 1.00 0.00 N flip ATOM 0 H ASN A 27 5.907 -13.688 0.877 1.00 0.00 H new ATOM 0 HA ASN A 27 7.294 -14.679 3.291 1.00 0.00 H new ATOM 0 HB2 ASN A 27 5.211 -12.474 2.943 1.00 0.00 H new ATOM 0 HB3 ASN A 27 5.914 -12.962 4.472 1.00 0.00 H new ATOM 0 HD21 ASN A 27 8.650 -13.293 3.473 1.00 0.00 H new ATOM 0 HD22 ASN A 27 9.211 -11.666 3.075 1.00 0.00 H new ATOM 447 N ASN A 28 4.590 -15.670 2.046 1.00 0.00 N ATOM 448 CA ASN A 28 3.426 -16.531 2.170 1.00 0.00 C ATOM 449 C ASN A 28 2.371 -15.835 3.033 1.00 0.00 C ATOM 450 O ASN A 28 1.737 -16.467 3.876 1.00 0.00 O ATOM 451 CB ASN A 28 3.789 -17.855 2.846 1.00 0.00 C ATOM 452 CG ASN A 28 3.045 -19.024 2.197 1.00 0.00 C ATOM 453 OD1 ASN A 28 2.513 -18.925 1.104 1.00 0.00 O ATOM 454 ND2 ASN A 28 3.037 -20.134 2.930 1.00 0.00 N ATOM 0 H ASN A 28 4.896 -15.502 1.088 1.00 0.00 H new ATOM 0 HA ASN A 28 3.046 -16.729 1.168 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.864 -18.020 2.777 1.00 0.00 H new ATOM 0 HB3 ASN A 28 3.542 -17.806 3.906 1.00 0.00 H new ATOM 0 HD21 ASN A 28 2.566 -20.970 2.584 1.00 0.00 H new ATOM 0 HD22 ASN A 28 3.502 -20.149 3.838 1.00 0.00 H new ATOM 461 N ILE A 29 2.217 -14.541 2.792 1.00 0.00 N ATOM 462 CA ILE A 29 1.250 -13.752 3.536 1.00 0.00 C ATOM 463 C ILE A 29 -0.014 -13.574 2.693 1.00 0.00 C ATOM 464 O ILE A 29 0.063 -13.451 1.471 1.00 0.00 O ATOM 465 CB ILE A 29 1.875 -12.432 3.994 1.00 0.00 C ATOM 466 CG1 ILE A 29 3.163 -12.680 4.782 1.00 0.00 C ATOM 467 CG2 ILE A 29 0.869 -11.596 4.788 1.00 0.00 C ATOM 468 CD1 ILE A 29 3.930 -11.374 5.002 1.00 0.00 C ATOM 0 H ILE A 29 2.745 -14.020 2.092 1.00 0.00 H new ATOM 0 HA ILE A 29 0.955 -14.272 4.447 1.00 0.00 H new ATOM 0 HB ILE A 29 2.145 -11.856 3.109 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.924 -13.132 5.744 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.792 -13.389 4.244 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.338 -10.663 5.102 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.005 -11.375 4.161 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.546 -12.153 5.667 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.841 -11.578 5.564 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.189 -10.937 4.037 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.307 -10.676 5.561 1.00 0.00 H new ATOM 480 N GLU A 30 -1.148 -13.565 3.378 1.00 0.00 N ATOM 481 CA GLU A 30 -2.427 -13.404 2.707 1.00 0.00 C ATOM 482 C GLU A 30 -3.073 -12.076 3.108 1.00 0.00 C ATOM 483 O GLU A 30 -4.199 -11.785 2.710 1.00 0.00 O ATOM 484 CB GLU A 30 -3.357 -14.580 3.011 1.00 0.00 C ATOM 485 CG GLU A 30 -3.735 -15.325 1.729 1.00 0.00 C ATOM 486 CD GLU A 30 -4.303 -16.710 2.047 1.00 0.00 C ATOM 487 OE1 GLU A 30 -3.485 -17.600 2.362 1.00 0.00 O ATOM 488 OE2 GLU A 30 -5.543 -16.846 1.968 1.00 0.00 O ATOM 0 H GLU A 30 -1.208 -13.667 4.391 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.252 -13.390 1.631 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.868 -15.265 3.704 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.259 -14.217 3.505 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.471 -14.746 1.171 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.857 -15.426 1.090 1.00 0.00 H new ATOM 495 N ASN A 31 -2.332 -11.307 3.892 1.00 0.00 N ATOM 496 CA ASN A 31 -2.818 -10.017 4.351 1.00 0.00 C ATOM 497 C ASN A 31 -1.629 -9.086 4.596 1.00 0.00 C ATOM 498 O ASN A 31 -1.363 -8.699 5.733 1.00 0.00 O ATOM 499 CB ASN A 31 -3.589 -10.155 5.665 1.00 0.00 C ATOM 500 CG ASN A 31 -3.023 -11.294 6.516 1.00 0.00 C ATOM 501 OD1 ASN A 31 -3.065 -12.457 6.150 1.00 0.00 O ATOM 502 ND2 ASN A 31 -2.493 -10.896 7.668 1.00 0.00 N ATOM 0 H ASN A 31 -1.398 -11.553 4.221 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.480 -9.614 3.585 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.536 -9.219 6.222 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -4.642 -10.342 5.455 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -2.089 -11.581 8.307 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -2.491 -9.906 7.913 1.00 0.00 H new ATOM 509 N PRO A 32 -0.928 -8.744 3.482 1.00 0.00 N ATOM 510 CA PRO A 32 0.227 -7.865 3.565 1.00 0.00 C ATOM 511 C PRO A 32 -0.204 -6.413 3.782 1.00 0.00 C ATOM 512 O PRO A 32 -0.892 -5.834 2.943 1.00 0.00 O ATOM 513 CB PRO A 32 0.974 -8.074 2.258 1.00 0.00 C ATOM 514 CG PRO A 32 -0.025 -8.705 1.302 1.00 0.00 C ATOM 515 CD PRO A 32 -1.214 -9.183 2.119 1.00 0.00 C ATOM 0 HA PRO A 32 0.869 -8.092 4.416 1.00 0.00 H new ATOM 0 HB2 PRO A 32 1.346 -7.128 1.865 1.00 0.00 H new ATOM 0 HB3 PRO A 32 1.839 -8.721 2.402 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -0.344 -7.982 0.551 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.431 -9.539 0.768 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.146 -8.753 1.752 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -1.321 -10.266 2.066 1.00 0.00 H new ATOM 523 N ILE A 33 0.219 -5.867 4.912 1.00 0.00 N ATOM 524 CA ILE A 33 -0.114 -4.493 5.250 1.00 0.00 C ATOM 525 C ILE A 33 1.121 -3.611 5.055 1.00 0.00 C ATOM 526 O ILE A 33 1.955 -3.497 5.951 1.00 0.00 O ATOM 527 CB ILE A 33 -0.708 -4.417 6.658 1.00 0.00 C ATOM 528 CG1 ILE A 33 -2.061 -5.129 6.722 1.00 0.00 C ATOM 529 CG2 ILE A 33 -0.800 -2.967 7.136 1.00 0.00 C ATOM 530 CD1 ILE A 33 -2.158 -6.012 7.967 1.00 0.00 C ATOM 0 H ILE A 33 0.789 -6.351 5.606 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.887 -4.112 4.582 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.037 -4.939 7.340 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.864 -4.392 6.731 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.198 -5.738 5.828 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.225 -2.941 8.139 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.196 -2.526 7.153 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.437 -2.400 6.457 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.129 -6.506 7.988 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.369 -6.764 7.942 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.045 -5.396 8.859 1.00 0.00 H new ATOM 542 N LEU A 34 1.198 -3.009 3.877 1.00 0.00 N ATOM 543 CA LEU A 34 2.317 -2.140 3.552 1.00 0.00 C ATOM 544 C LEU A 34 1.905 -0.683 3.771 1.00 0.00 C ATOM 545 O LEU A 34 0.768 -0.306 3.490 1.00 0.00 O ATOM 546 CB LEU A 34 2.828 -2.430 2.140 1.00 0.00 C ATOM 547 CG LEU A 34 4.188 -3.124 2.048 1.00 0.00 C ATOM 548 CD1 LEU A 34 4.113 -4.552 2.591 1.00 0.00 C ATOM 549 CD2 LEU A 34 4.729 -3.083 0.617 1.00 0.00 C ATOM 0 H LEU A 34 0.504 -3.106 3.136 1.00 0.00 H new ATOM 0 HA LEU A 34 3.158 -2.337 4.216 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.091 -3.049 1.628 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.886 -1.488 1.595 1.00 0.00 H new ATOM 0 HG LEU A 34 4.893 -2.578 2.675 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.093 -5.023 2.514 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.803 -4.528 3.636 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.389 -5.124 2.011 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.697 -3.583 0.579 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.032 -3.590 -0.050 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.844 -2.046 0.301 1.00 0.00 H new ATOM 561 N ARG A 35 2.852 0.097 4.270 1.00 0.00 N ATOM 562 CA ARG A 35 2.602 1.505 4.530 1.00 0.00 C ATOM 563 C ARG A 35 3.340 2.372 3.507 1.00 0.00 C ATOM 564 O ARG A 35 4.424 2.014 3.051 1.00 0.00 O ATOM 565 CB ARG A 35 3.054 1.894 5.939 1.00 0.00 C ATOM 566 CG ARG A 35 3.070 3.414 6.109 1.00 0.00 C ATOM 567 CD ARG A 35 3.444 3.802 7.541 1.00 0.00 C ATOM 568 NE ARG A 35 4.914 3.929 7.664 1.00 0.00 N ATOM 569 CZ ARG A 35 5.534 4.513 8.698 1.00 0.00 C ATOM 570 NH1 ARG A 35 4.816 5.028 9.705 1.00 0.00 N ATOM 571 NH2 ARG A 35 6.872 4.583 8.725 1.00 0.00 N ATOM 0 H ARG A 35 3.794 -0.219 4.501 1.00 0.00 H new ATOM 0 HA ARG A 35 1.528 1.672 4.447 1.00 0.00 H new ATOM 0 HB2 ARG A 35 2.385 1.449 6.675 1.00 0.00 H new ATOM 0 HB3 ARG A 35 4.049 1.493 6.129 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.783 3.854 5.411 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.090 3.821 5.862 1.00 0.00 H new ATOM 0 HD2 ARG A 35 2.966 4.744 7.808 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.076 3.049 8.238 1.00 0.00 H new ATOM 0 HE ARG A 35 5.491 3.548 6.914 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.798 4.975 9.684 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.288 5.473 10.492 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.419 4.192 7.958 1.00 0.00 H new ATOM 0 HH22 ARG A 35 7.344 5.028 9.512 1.00 0.00 H new ATOM 585 N ILE A 36 2.722 3.497 3.178 1.00 0.00 N ATOM 586 CA ILE A 36 3.306 4.418 2.218 1.00 0.00 C ATOM 587 C ILE A 36 3.648 5.733 2.922 1.00 0.00 C ATOM 588 O ILE A 36 2.754 6.479 3.319 1.00 0.00 O ATOM 589 CB ILE A 36 2.383 4.589 1.009 1.00 0.00 C ATOM 590 CG1 ILE A 36 2.973 3.915 -0.231 1.00 0.00 C ATOM 591 CG2 ILE A 36 2.069 6.067 0.764 1.00 0.00 C ATOM 592 CD1 ILE A 36 2.418 2.500 -0.402 1.00 0.00 C ATOM 0 H ILE A 36 1.823 3.791 3.559 1.00 0.00 H new ATOM 0 HA ILE A 36 4.239 4.016 1.823 1.00 0.00 H new ATOM 0 HB ILE A 36 1.438 4.091 1.227 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.744 4.509 -1.116 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.059 3.876 -0.146 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.412 6.161 -0.100 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.576 6.485 1.642 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.996 6.609 0.576 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.854 2.043 -1.291 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.670 1.902 0.474 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.334 2.545 -0.511 1.00 0.00 H new ATOM 604 N ARG A 37 4.943 5.976 3.055 1.00 0.00 N ATOM 605 CA ARG A 37 5.414 7.188 3.705 1.00 0.00 C ATOM 606 C ARG A 37 6.310 7.986 2.755 1.00 0.00 C ATOM 607 O ARG A 37 6.666 7.504 1.680 1.00 0.00 O ATOM 608 CB ARG A 37 6.196 6.862 4.978 1.00 0.00 C ATOM 609 CG ARG A 37 5.866 7.856 6.094 1.00 0.00 C ATOM 610 CD ARG A 37 7.124 8.590 6.563 1.00 0.00 C ATOM 611 NE ARG A 37 7.700 7.905 7.742 1.00 0.00 N ATOM 612 CZ ARG A 37 7.253 8.062 8.995 1.00 0.00 C ATOM 613 NH1 ARG A 37 6.222 8.882 9.241 1.00 0.00 N ATOM 614 NH2 ARG A 37 7.837 7.399 10.003 1.00 0.00 N ATOM 0 H ARG A 37 5.681 5.355 2.724 1.00 0.00 H new ATOM 0 HA ARG A 37 4.540 7.782 3.971 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.959 5.850 5.306 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.265 6.887 4.769 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.131 8.578 5.738 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.414 7.329 6.934 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.857 8.623 5.757 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.880 9.622 6.815 1.00 0.00 H new ATOM 0 HE ARG A 37 8.487 7.274 7.591 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.778 9.387 8.474 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.882 9.001 10.195 1.00 0.00 H new ATOM 0 HH21 ARG A 37 8.622 6.775 9.816 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.497 7.519 10.957 1.00 0.00 H new ATOM 628 N VAL A 38 6.648 9.192 3.185 1.00 0.00 N ATOM 629 CA VAL A 38 7.495 10.061 2.386 1.00 0.00 C ATOM 630 C VAL A 38 8.957 9.651 2.570 1.00 0.00 C ATOM 631 O VAL A 38 9.448 9.578 3.696 1.00 0.00 O ATOM 632 CB VAL A 38 7.234 11.525 2.749 1.00 0.00 C ATOM 633 CG1 VAL A 38 7.764 12.462 1.662 1.00 0.00 C ATOM 634 CG2 VAL A 38 5.746 11.769 3.007 1.00 0.00 C ATOM 0 H VAL A 38 6.351 9.588 4.077 1.00 0.00 H new ATOM 0 HA VAL A 38 7.259 9.956 1.327 1.00 0.00 H new ATOM 0 HB VAL A 38 7.773 11.743 3.671 1.00 0.00 H new ATOM 0 HG11 VAL A 38 7.566 13.496 1.945 1.00 0.00 H new ATOM 0 HG12 VAL A 38 8.838 12.316 1.548 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.266 12.242 0.718 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.588 12.817 3.263 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.176 11.525 2.110 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.412 11.140 3.832 1.00 0.00 H new ATOM 644 N VAL A 39 9.613 9.394 1.448 1.00 0.00 N ATOM 645 CA VAL A 39 11.009 8.993 1.472 1.00 0.00 C ATOM 646 C VAL A 39 11.816 9.915 0.555 1.00 0.00 C ATOM 647 O VAL A 39 11.496 10.059 -0.624 1.00 0.00 O ATOM 648 CB VAL A 39 11.136 7.516 1.095 1.00 0.00 C ATOM 649 CG1 VAL A 39 12.576 7.169 0.712 1.00 0.00 C ATOM 650 CG2 VAL A 39 10.637 6.617 2.228 1.00 0.00 C ATOM 0 H VAL A 39 9.203 9.456 0.516 1.00 0.00 H new ATOM 0 HA VAL A 39 11.418 9.095 2.477 1.00 0.00 H new ATOM 0 HB VAL A 39 10.506 7.337 0.223 1.00 0.00 H new ATOM 0 HG11 VAL A 39 12.638 6.113 0.449 1.00 0.00 H new ATOM 0 HG12 VAL A 39 12.882 7.775 -0.141 1.00 0.00 H new ATOM 0 HG13 VAL A 39 13.236 7.372 1.556 1.00 0.00 H new ATOM 0 HG21 VAL A 39 10.738 5.572 1.935 1.00 0.00 H new ATOM 0 HG22 VAL A 39 11.228 6.801 3.125 1.00 0.00 H new ATOM 0 HG23 VAL A 39 9.589 6.837 2.432 1.00 0.00 H new ATOM 660 N PRO A 40 12.873 10.532 1.147 1.00 0.00 N ATOM 661 CA PRO A 40 13.728 11.436 0.396 1.00 0.00 C ATOM 662 C PRO A 40 14.659 10.662 -0.539 1.00 0.00 C ATOM 663 O PRO A 40 15.669 10.113 -0.100 1.00 0.00 O ATOM 664 CB PRO A 40 14.476 12.236 1.450 1.00 0.00 C ATOM 665 CG PRO A 40 14.361 11.438 2.739 1.00 0.00 C ATOM 666 CD PRO A 40 13.282 10.386 2.541 1.00 0.00 C ATOM 0 HA PRO A 40 13.165 12.097 -0.262 1.00 0.00 H new ATOM 0 HB2 PRO A 40 15.520 12.374 1.168 1.00 0.00 H new ATOM 0 HB3 PRO A 40 14.043 13.230 1.566 1.00 0.00 H new ATOM 0 HG2 PRO A 40 15.313 10.967 2.983 1.00 0.00 H new ATOM 0 HG3 PRO A 40 14.107 12.093 3.572 1.00 0.00 H new ATOM 0 HD2 PRO A 40 13.664 9.385 2.739 1.00 0.00 H new ATOM 0 HD3 PRO A 40 12.443 10.546 3.219 1.00 0.00 H new ATOM 737 N GLN A 47 9.634 10.194 -3.671 1.00 0.00 N ATOM 738 CA GLN A 47 8.889 8.962 -3.861 1.00 0.00 C ATOM 739 C GLN A 47 8.572 8.320 -2.509 1.00 0.00 C ATOM 740 O GLN A 47 9.240 8.597 -1.514 1.00 0.00 O ATOM 741 CB GLN A 47 9.654 7.992 -4.763 1.00 0.00 C ATOM 742 CG GLN A 47 10.920 7.482 -4.071 1.00 0.00 C ATOM 743 CD GLN A 47 10.614 6.263 -3.197 1.00 0.00 C ATOM 744 OE1 GLN A 47 9.471 5.899 -2.972 1.00 0.00 O ATOM 745 NE2 GLN A 47 11.696 5.654 -2.720 1.00 0.00 N ATOM 0 HA GLN A 47 7.948 9.202 -4.357 1.00 0.00 H new ATOM 0 HB2 GLN A 47 9.013 7.150 -5.023 1.00 0.00 H new ATOM 0 HB3 GLN A 47 9.920 8.490 -5.695 1.00 0.00 H new ATOM 0 HG2 GLN A 47 11.667 7.219 -4.820 1.00 0.00 H new ATOM 0 HG3 GLN A 47 11.348 8.275 -3.458 1.00 0.00 H new ATOM 0 HE21 GLN A 47 12.624 6.011 -2.947 1.00 0.00 H new ATOM 0 HE22 GLN A 47 11.598 4.830 -2.127 1.00 0.00 H new ATOM 754 N TYR A 48 7.552 7.473 -2.517 1.00 0.00 N ATOM 755 CA TYR A 48 7.139 6.789 -1.303 1.00 0.00 C ATOM 756 C TYR A 48 7.360 5.280 -1.422 1.00 0.00 C ATOM 757 O TYR A 48 6.742 4.622 -2.257 1.00 0.00 O ATOM 758 CB TYR A 48 5.641 7.063 -1.155 1.00 0.00 C ATOM 759 CG TYR A 48 5.278 8.549 -1.139 1.00 0.00 C ATOM 760 CD1 TYR A 48 5.405 9.302 -2.288 1.00 0.00 C ATOM 761 CD2 TYR A 48 4.825 9.136 0.025 1.00 0.00 C ATOM 762 CE1 TYR A 48 5.063 10.701 -2.273 1.00 0.00 C ATOM 763 CE2 TYR A 48 4.483 10.535 0.040 1.00 0.00 C ATOM 764 CZ TYR A 48 4.620 11.249 -1.110 1.00 0.00 C ATOM 765 OH TYR A 48 4.297 12.570 -1.096 1.00 0.00 O ATOM 0 H TYR A 48 7.000 7.245 -3.344 1.00 0.00 H new ATOM 0 HA TYR A 48 7.716 7.142 -0.448 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.111 6.579 -1.975 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.288 6.603 -0.232 1.00 0.00 H new ATOM 0 HD1 TYR A 48 5.761 8.843 -3.198 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.727 8.546 0.925 1.00 0.00 H new ATOM 0 HE1 TYR A 48 5.156 11.302 -3.166 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.126 11.007 0.944 1.00 0.00 H new ATOM 0 HH TYR A 48 3.995 12.823 -0.199 1.00 0.00 H new ATOM 775 N ALA A 49 8.244 4.775 -0.574 1.00 0.00 N ATOM 776 CA ALA A 49 8.555 3.356 -0.573 1.00 0.00 C ATOM 777 C ALA A 49 7.595 2.629 0.371 1.00 0.00 C ATOM 778 O ALA A 49 7.001 3.245 1.254 1.00 0.00 O ATOM 779 CB ALA A 49 10.021 3.154 -0.183 1.00 0.00 C ATOM 0 H ALA A 49 8.755 5.324 0.117 1.00 0.00 H new ATOM 0 HA ALA A 49 8.422 2.933 -1.569 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.254 2.089 -0.182 1.00 0.00 H new ATOM 0 HB2 ALA A 49 10.662 3.665 -0.901 1.00 0.00 H new ATOM 0 HB3 ALA A 49 10.192 3.563 0.813 1.00 0.00 H new ATOM 785 N MET A 50 7.473 1.328 0.152 1.00 0.00 N ATOM 786 CA MET A 50 6.596 0.510 0.972 1.00 0.00 C ATOM 787 C MET A 50 7.354 -0.674 1.575 1.00 0.00 C ATOM 788 O MET A 50 8.431 -1.033 1.100 1.00 0.00 O ATOM 789 CB MET A 50 5.436 -0.008 0.119 1.00 0.00 C ATOM 790 CG MET A 50 5.951 -0.711 -1.139 1.00 0.00 C ATOM 791 SD MET A 50 5.423 0.178 -2.594 1.00 0.00 S ATOM 792 CE MET A 50 4.073 -0.864 -3.121 1.00 0.00 C ATOM 0 H MET A 50 7.967 0.820 -0.582 1.00 0.00 H new ATOM 0 HA MET A 50 6.214 1.125 1.787 1.00 0.00 H new ATOM 0 HB2 MET A 50 4.830 -0.700 0.704 1.00 0.00 H new ATOM 0 HB3 MET A 50 4.789 0.822 -0.163 1.00 0.00 H new ATOM 0 HG2 MET A 50 7.039 -0.769 -1.113 1.00 0.00 H new ATOM 0 HG3 MET A 50 5.577 -1.734 -1.172 1.00 0.00 H new ATOM 0 HE1 MET A 50 3.649 -0.471 -4.045 1.00 0.00 H new ATOM 0 HE2 MET A 50 4.440 -1.876 -3.292 1.00 0.00 H new ATOM 0 HE3 MET A 50 3.304 -0.882 -2.348 1.00 0.00 H new ATOM 802 N GLY A 51 6.763 -1.248 2.612 1.00 0.00 N ATOM 803 CA GLY A 51 7.370 -2.384 3.285 1.00 0.00 C ATOM 804 C GLY A 51 6.467 -2.904 4.405 1.00 0.00 C ATOM 805 O GLY A 51 5.933 -2.123 5.191 1.00 0.00 O ATOM 0 H GLY A 51 5.870 -0.948 3.003 1.00 0.00 H new ATOM 0 HA2 GLY A 51 7.557 -3.180 2.565 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.336 -2.093 3.697 1.00 0.00 H new ATOM 809 N PHE A 52 6.324 -4.221 4.442 1.00 0.00 N ATOM 810 CA PHE A 52 5.494 -4.855 5.453 1.00 0.00 C ATOM 811 C PHE A 52 6.123 -4.722 6.841 1.00 0.00 C ATOM 812 O PHE A 52 7.273 -5.109 7.045 1.00 0.00 O ATOM 813 CB PHE A 52 5.400 -6.338 5.089 1.00 0.00 C ATOM 814 CG PHE A 52 6.756 -7.008 4.855 1.00 0.00 C ATOM 815 CD1 PHE A 52 7.456 -7.511 5.907 1.00 0.00 C ATOM 816 CD2 PHE A 52 7.260 -7.101 3.595 1.00 0.00 C ATOM 817 CE1 PHE A 52 8.714 -8.133 5.689 1.00 0.00 C ATOM 818 CE2 PHE A 52 8.518 -7.724 3.378 1.00 0.00 C ATOM 819 CZ PHE A 52 9.218 -8.226 4.430 1.00 0.00 C ATOM 0 H PHE A 52 6.768 -4.866 3.789 1.00 0.00 H new ATOM 0 HA PHE A 52 4.513 -4.380 5.481 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.879 -6.865 5.888 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.794 -6.443 4.189 1.00 0.00 H new ATOM 0 HD1 PHE A 52 7.056 -7.437 6.907 1.00 0.00 H new ATOM 0 HD2 PHE A 52 6.704 -6.701 2.760 1.00 0.00 H new ATOM 0 HE1 PHE A 52 9.271 -8.532 6.524 1.00 0.00 H new ATOM 0 HE2 PHE A 52 8.918 -7.799 2.378 1.00 0.00 H new ATOM 0 HZ PHE A 52 10.175 -8.699 4.265 1.00 0.00 H new ATOM 829 N ASP A 53 5.342 -4.173 7.760 1.00 0.00 N ATOM 830 CA ASP A 53 5.808 -3.984 9.123 1.00 0.00 C ATOM 831 C ASP A 53 5.123 -5.001 10.037 1.00 0.00 C ATOM 832 O ASP A 53 4.252 -5.750 9.597 1.00 0.00 O ATOM 833 CB ASP A 53 5.465 -2.583 9.633 1.00 0.00 C ATOM 834 CG ASP A 53 6.364 -2.067 10.759 1.00 0.00 C ATOM 835 OD1 ASP A 53 7.528 -2.518 10.808 1.00 0.00 O ATOM 836 OD2 ASP A 53 5.866 -1.231 11.544 1.00 0.00 O ATOM 0 H ASP A 53 4.389 -3.853 7.587 1.00 0.00 H new ATOM 0 HA ASP A 53 6.890 -4.116 9.131 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.518 -1.885 8.797 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.433 -2.583 9.983 1.00 0.00 H new ATOM 841 N ASP A 54 5.542 -4.996 11.294 1.00 0.00 N ATOM 842 CA ASP A 54 4.980 -5.909 12.275 1.00 0.00 C ATOM 843 C ASP A 54 3.471 -6.027 12.049 1.00 0.00 C ATOM 844 O ASP A 54 2.942 -7.131 11.929 1.00 0.00 O ATOM 845 CB ASP A 54 5.206 -5.396 13.698 1.00 0.00 C ATOM 846 CG ASP A 54 4.873 -3.919 13.914 1.00 0.00 C ATOM 847 OD1 ASP A 54 5.517 -3.087 13.238 1.00 0.00 O ATOM 848 OD2 ASP A 54 3.982 -3.654 14.750 1.00 0.00 O ATOM 0 H ASP A 54 6.265 -4.374 11.656 1.00 0.00 H new ATOM 0 HA ASP A 54 5.472 -6.875 12.158 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.603 -5.993 14.383 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.250 -5.560 13.966 1.00 0.00 H new ATOM 853 N THR A 55 2.821 -4.874 11.997 1.00 0.00 N ATOM 854 CA THR A 55 1.384 -4.834 11.788 1.00 0.00 C ATOM 855 C THR A 55 0.907 -3.389 11.631 1.00 0.00 C ATOM 856 O THR A 55 1.716 -2.462 11.630 1.00 0.00 O ATOM 857 CB THR A 55 0.716 -5.572 12.950 1.00 0.00 C ATOM 858 OG1 THR A 55 -0.592 -5.868 12.467 1.00 0.00 O ATOM 859 CG2 THR A 55 0.471 -4.664 14.156 1.00 0.00 C ATOM 0 H THR A 55 3.263 -3.960 12.096 1.00 0.00 H new ATOM 0 HA THR A 55 1.105 -5.337 10.862 1.00 0.00 H new ATOM 0 HB THR A 55 1.338 -6.415 13.251 1.00 0.00 H new ATOM 0 HG1 THR A 55 -1.095 -6.349 13.157 1.00 0.00 H new ATOM 0 HG21 THR A 55 -0.005 -5.237 14.952 1.00 0.00 H new ATOM 0 HG22 THR A 55 1.422 -4.268 14.512 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.179 -3.839 13.864 1.00 0.00 H new ATOM 867 N VAL A 56 -0.403 -3.242 11.504 1.00 0.00 N ATOM 868 CA VAL A 56 -0.997 -1.925 11.347 1.00 0.00 C ATOM 869 C VAL A 56 -1.027 -1.219 12.705 1.00 0.00 C ATOM 870 O VAL A 56 -1.022 -1.872 13.747 1.00 0.00 O ATOM 871 CB VAL A 56 -2.381 -2.048 10.706 1.00 0.00 C ATOM 872 CG1 VAL A 56 -3.460 -2.267 11.769 1.00 0.00 C ATOM 873 CG2 VAL A 56 -2.698 -0.822 9.848 1.00 0.00 C ATOM 0 H VAL A 56 -1.070 -4.013 11.507 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.396 -1.312 10.675 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.372 -2.921 10.053 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.434 -2.351 11.287 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.247 -3.183 12.320 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.468 -1.423 12.458 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.687 -0.935 9.404 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.679 0.072 10.471 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.954 -0.729 9.057 1.00 0.00 H new ATOM 883 N GLU A 57 -1.058 0.104 12.647 1.00 0.00 N ATOM 884 CA GLU A 57 -1.089 0.905 13.859 1.00 0.00 C ATOM 885 C GLU A 57 -2.515 0.982 14.408 1.00 0.00 C ATOM 886 O GLU A 57 -3.461 0.552 13.750 1.00 0.00 O ATOM 887 CB GLU A 57 -0.523 2.304 13.606 1.00 0.00 C ATOM 888 CG GLU A 57 0.704 2.242 12.694 1.00 0.00 C ATOM 889 CD GLU A 57 1.347 3.623 12.546 1.00 0.00 C ATOM 890 OE1 GLU A 57 2.190 3.951 13.409 1.00 0.00 O ATOM 891 OE2 GLU A 57 0.981 4.319 11.574 1.00 0.00 O ATOM 0 H GLU A 57 -1.062 0.641 11.780 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.458 0.423 14.606 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.288 2.933 13.150 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.253 2.768 14.555 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.431 1.540 13.103 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.414 1.865 11.713 1.00 0.00 H new ATOM 898 N GLU A 58 -2.624 1.532 15.609 1.00 0.00 N ATOM 899 CA GLU A 58 -3.918 1.670 16.254 1.00 0.00 C ATOM 900 C GLU A 58 -4.621 2.939 15.768 1.00 0.00 C ATOM 901 O GLU A 58 -5.490 3.474 16.454 1.00 0.00 O ATOM 902 CB GLU A 58 -3.774 1.673 17.777 1.00 0.00 C ATOM 903 CG GLU A 58 -4.920 0.904 18.438 1.00 0.00 C ATOM 904 CD GLU A 58 -4.443 -0.456 18.952 1.00 0.00 C ATOM 905 OE1 GLU A 58 -4.132 -1.310 18.094 1.00 0.00 O ATOM 906 OE2 GLU A 58 -4.400 -0.611 20.192 1.00 0.00 O ATOM 0 H GLU A 58 -1.837 1.887 16.152 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.531 0.811 15.981 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.821 1.224 18.057 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.762 2.700 18.143 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.325 1.488 19.265 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.729 0.763 17.721 1.00 0.00 H new ATOM 913 N GLY A 59 -4.218 3.385 14.587 1.00 0.00 N ATOM 914 CA GLY A 59 -4.798 4.581 14.000 1.00 0.00 C ATOM 915 C GLY A 59 -4.114 4.930 12.677 1.00 0.00 C ATOM 916 O GLY A 59 -3.607 6.038 12.510 1.00 0.00 O ATOM 0 H GLY A 59 -3.496 2.939 14.021 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.864 4.428 13.833 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.701 5.415 14.695 1.00 0.00 H new ATOM 920 N ASP A 60 -4.122 3.964 11.770 1.00 0.00 N ATOM 921 CA ASP A 60 -3.509 4.155 10.467 1.00 0.00 C ATOM 922 C ASP A 60 -4.568 3.970 9.378 1.00 0.00 C ATOM 923 O ASP A 60 -5.353 3.025 9.425 1.00 0.00 O ATOM 924 CB ASP A 60 -2.398 3.131 10.225 1.00 0.00 C ATOM 925 CG ASP A 60 -1.146 3.685 9.542 1.00 0.00 C ATOM 926 OD1 ASP A 60 -1.170 4.887 9.202 1.00 0.00 O ATOM 927 OD2 ASP A 60 -0.194 2.893 9.374 1.00 0.00 O ATOM 0 H ASP A 60 -4.544 3.046 11.912 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.086 5.159 10.437 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.109 2.697 11.182 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.798 2.321 9.615 1.00 0.00 H new ATOM 932 N HIS A 61 -4.555 4.889 8.423 1.00 0.00 N ATOM 933 CA HIS A 61 -5.504 4.839 7.324 1.00 0.00 C ATOM 934 C HIS A 61 -5.282 3.562 6.511 1.00 0.00 C ATOM 935 O HIS A 61 -4.569 3.577 5.509 1.00 0.00 O ATOM 936 CB HIS A 61 -5.417 6.107 6.473 1.00 0.00 C ATOM 937 CG HIS A 61 -6.528 7.097 6.728 1.00 0.00 C ATOM 938 ND1 HIS A 61 -7.858 6.814 6.468 1.00 0.00 N ATOM 939 CD2 HIS A 61 -6.494 8.367 7.223 1.00 0.00 C ATOM 940 CE1 HIS A 61 -8.582 7.874 6.794 1.00 0.00 C ATOM 941 NE2 HIS A 61 -7.735 8.836 7.262 1.00 0.00 N ATOM 0 H HIS A 61 -3.902 5.672 8.388 1.00 0.00 H new ATOM 0 HA HIS A 61 -6.520 4.805 7.718 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -4.460 6.594 6.662 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -5.429 5.827 5.420 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -8.219 5.938 6.090 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -5.607 8.901 7.531 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -9.655 7.962 6.705 1.00 0.00 H new ATOM 949 N VAL A 62 -5.905 2.489 6.974 1.00 0.00 N ATOM 950 CA VAL A 62 -5.784 1.206 6.302 1.00 0.00 C ATOM 951 C VAL A 62 -6.879 1.086 5.240 1.00 0.00 C ATOM 952 O VAL A 62 -8.038 1.407 5.498 1.00 0.00 O ATOM 953 CB VAL A 62 -5.821 0.072 7.329 1.00 0.00 C ATOM 954 CG1 VAL A 62 -7.260 -0.262 7.726 1.00 0.00 C ATOM 955 CG2 VAL A 62 -5.095 -1.168 6.802 1.00 0.00 C ATOM 0 H VAL A 62 -6.495 2.481 7.806 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.825 1.132 5.790 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.298 0.412 8.223 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.257 -1.071 8.457 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.731 0.619 8.162 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.818 -0.573 6.843 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.136 -1.959 7.551 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.577 -1.510 5.886 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.054 -0.919 6.593 1.00 0.00 H new ATOM 965 N PHE A 63 -6.473 0.622 4.067 1.00 0.00 N ATOM 966 CA PHE A 63 -7.405 0.455 2.965 1.00 0.00 C ATOM 967 C PHE A 63 -7.490 -1.011 2.536 1.00 0.00 C ATOM 968 O PHE A 63 -6.537 -1.768 2.708 1.00 0.00 O ATOM 969 CB PHE A 63 -6.869 1.285 1.797 1.00 0.00 C ATOM 970 CG PHE A 63 -7.853 2.335 1.276 1.00 0.00 C ATOM 971 CD1 PHE A 63 -8.677 2.983 2.143 1.00 0.00 C ATOM 972 CD2 PHE A 63 -7.903 2.621 -0.052 1.00 0.00 C ATOM 973 CE1 PHE A 63 -9.590 3.958 1.660 1.00 0.00 C ATOM 974 CE2 PHE A 63 -8.816 3.595 -0.535 1.00 0.00 C ATOM 975 CZ PHE A 63 -9.641 4.243 0.331 1.00 0.00 C ATOM 0 H PHE A 63 -5.511 0.357 3.856 1.00 0.00 H new ATOM 0 HA PHE A 63 -8.402 0.775 3.269 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -5.952 1.785 2.110 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.603 0.614 0.980 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -8.637 2.756 3.198 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -7.248 2.107 -0.740 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -10.244 4.473 2.348 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -8.856 3.822 -1.590 1.00 0.00 H new ATOM 0 HZ PHE A 63 -10.336 4.983 -0.037 1.00 0.00 H new ATOM 985 N GLU A 64 -8.642 -1.367 1.986 1.00 0.00 N ATOM 986 CA GLU A 64 -8.864 -2.729 1.531 1.00 0.00 C ATOM 987 C GLU A 64 -8.628 -2.830 0.023 1.00 0.00 C ATOM 988 O GLU A 64 -9.318 -2.182 -0.763 1.00 0.00 O ATOM 989 CB GLU A 64 -10.271 -3.207 1.898 1.00 0.00 C ATOM 990 CG GLU A 64 -10.542 -3.014 3.392 1.00 0.00 C ATOM 991 CD GLU A 64 -12.011 -3.287 3.721 1.00 0.00 C ATOM 992 OE1 GLU A 64 -12.418 -4.460 3.575 1.00 0.00 O ATOM 993 OE2 GLU A 64 -12.695 -2.316 4.112 1.00 0.00 O ATOM 0 H GLU A 64 -9.431 -0.736 1.845 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.151 -3.381 2.036 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -11.010 -2.656 1.316 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -10.381 -4.260 1.638 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.905 -3.683 3.970 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -10.283 -1.996 3.684 1.00 0.00 H new ATOM 1000 N TYR A 65 -7.650 -3.648 -0.337 1.00 0.00 N ATOM 1001 CA TYR A 65 -7.313 -3.843 -1.737 1.00 0.00 C ATOM 1002 C TYR A 65 -7.753 -5.227 -2.219 1.00 0.00 C ATOM 1003 O TYR A 65 -8.550 -5.894 -1.561 1.00 0.00 O ATOM 1004 CB TYR A 65 -5.789 -3.747 -1.822 1.00 0.00 C ATOM 1005 CG TYR A 65 -5.279 -2.416 -2.379 1.00 0.00 C ATOM 1006 CD1 TYR A 65 -5.622 -2.026 -3.657 1.00 0.00 C ATOM 1007 CD2 TYR A 65 -4.476 -1.606 -1.602 1.00 0.00 C ATOM 1008 CE1 TYR A 65 -5.142 -0.774 -4.181 1.00 0.00 C ATOM 1009 CE2 TYR A 65 -3.996 -0.353 -2.126 1.00 0.00 C ATOM 1010 CZ TYR A 65 -4.353 0.001 -3.390 1.00 0.00 C ATOM 1011 OH TYR A 65 -3.900 1.184 -3.885 1.00 0.00 O ATOM 0 H TYR A 65 -7.080 -4.184 0.317 1.00 0.00 H new ATOM 0 HA TYR A 65 -7.813 -3.101 -2.359 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.370 -3.897 -0.827 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.419 -4.558 -2.450 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -6.251 -2.660 -4.265 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -4.208 -1.911 -0.601 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -5.403 -0.457 -5.180 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -3.367 0.291 -1.529 1.00 0.00 H new ATOM 0 HH TYR A 65 -3.349 1.632 -3.210 1.00 0.00 H new ATOM 1021 N ASP A 66 -7.214 -5.617 -3.365 1.00 0.00 N ATOM 1022 CA ASP A 66 -7.541 -6.910 -3.943 1.00 0.00 C ATOM 1023 C ASP A 66 -6.993 -8.019 -3.043 1.00 0.00 C ATOM 1024 O ASP A 66 -6.042 -8.708 -3.410 1.00 0.00 O ATOM 1025 CB ASP A 66 -6.909 -7.069 -5.328 1.00 0.00 C ATOM 1026 CG ASP A 66 -7.206 -8.399 -6.025 1.00 0.00 C ATOM 1027 OD1 ASP A 66 -6.441 -9.355 -5.771 1.00 0.00 O ATOM 1028 OD2 ASP A 66 -8.190 -8.429 -6.795 1.00 0.00 O ATOM 0 H ASP A 66 -6.554 -5.061 -3.908 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.625 -6.976 -4.031 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.257 -6.256 -5.965 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.829 -6.959 -5.233 1.00 0.00 H new ATOM 1033 N GLY A 67 -7.617 -8.158 -1.883 1.00 0.00 N ATOM 1034 CA GLY A 67 -7.205 -9.172 -0.928 1.00 0.00 C ATOM 1035 C GLY A 67 -5.963 -8.724 -0.155 1.00 0.00 C ATOM 1036 O GLY A 67 -5.514 -9.414 0.759 1.00 0.00 O ATOM 0 H GLY A 67 -8.405 -7.585 -1.583 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -8.019 -9.373 -0.231 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.996 -10.105 -1.451 1.00 0.00 H new ATOM 1040 N VAL A 68 -5.443 -7.571 -0.549 1.00 0.00 N ATOM 1041 CA VAL A 68 -4.262 -7.023 0.095 1.00 0.00 C ATOM 1042 C VAL A 68 -4.668 -5.831 0.965 1.00 0.00 C ATOM 1043 O VAL A 68 -5.763 -5.292 0.814 1.00 0.00 O ATOM 1044 CB VAL A 68 -3.211 -6.664 -0.957 1.00 0.00 C ATOM 1045 CG1 VAL A 68 -2.054 -5.882 -0.331 1.00 0.00 C ATOM 1046 CG2 VAL A 68 -2.702 -7.917 -1.673 1.00 0.00 C ATOM 0 H VAL A 68 -5.818 -7.001 -1.307 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.806 -7.765 0.751 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.686 -6.023 -1.700 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.321 -5.639 -1.100 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.434 -4.961 0.111 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.582 -6.488 0.442 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.956 -7.634 -2.416 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.252 -8.594 -0.947 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.535 -8.417 -2.168 1.00 0.00 H new ATOM 1056 N LYS A 69 -3.764 -5.455 1.857 1.00 0.00 N ATOM 1057 CA LYS A 69 -4.014 -4.338 2.752 1.00 0.00 C ATOM 1058 C LYS A 69 -2.884 -3.316 2.612 1.00 0.00 C ATOM 1059 O LYS A 69 -1.743 -3.681 2.332 1.00 0.00 O ATOM 1060 CB LYS A 69 -4.222 -4.834 4.184 1.00 0.00 C ATOM 1061 CG LYS A 69 -5.638 -4.522 4.672 1.00 0.00 C ATOM 1062 CD LYS A 69 -5.744 -4.690 6.189 1.00 0.00 C ATOM 1063 CE LYS A 69 -7.207 -4.707 6.638 1.00 0.00 C ATOM 1064 NZ LYS A 69 -7.772 -6.069 6.513 1.00 0.00 N ATOM 0 H LYS A 69 -2.857 -5.904 1.979 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.939 -3.830 2.479 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.046 -5.909 4.229 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.494 -4.364 4.845 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.905 -3.502 4.396 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.351 -5.183 4.179 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.256 -5.617 6.491 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.217 -3.876 6.686 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.280 -4.370 7.672 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.787 -4.009 6.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.765 -6.063 6.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.720 -6.377 5.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.229 -6.726 7.108 1.00 0.00 H new ATOM 1078 N VAL A 70 -3.240 -2.056 2.814 1.00 0.00 N ATOM 1079 CA VAL A 70 -2.270 -0.979 2.715 1.00 0.00 C ATOM 1080 C VAL A 70 -2.629 0.120 3.718 1.00 0.00 C ATOM 1081 O VAL A 70 -3.771 0.204 4.168 1.00 0.00 O ATOM 1082 CB VAL A 70 -2.197 -0.471 1.273 1.00 0.00 C ATOM 1083 CG1 VAL A 70 -1.494 0.885 1.204 1.00 0.00 C ATOM 1084 CG2 VAL A 70 -1.509 -1.493 0.367 1.00 0.00 C ATOM 0 H VAL A 70 -4.187 -1.757 3.046 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.273 -1.339 2.970 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.217 -0.337 0.913 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.456 1.223 0.168 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.044 1.611 1.802 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.480 0.789 1.592 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.470 -1.108 -0.652 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.496 -1.673 0.726 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.070 -2.427 0.380 1.00 0.00 H new ATOM 1094 N VAL A 71 -1.634 0.933 4.038 1.00 0.00 N ATOM 1095 CA VAL A 71 -1.830 2.022 4.979 1.00 0.00 C ATOM 1096 C VAL A 71 -0.985 3.223 4.547 1.00 0.00 C ATOM 1097 O VAL A 71 -0.028 3.072 3.790 1.00 0.00 O ATOM 1098 CB VAL A 71 -1.516 1.550 6.400 1.00 0.00 C ATOM 1099 CG1 VAL A 71 -1.998 0.114 6.619 1.00 0.00 C ATOM 1100 CG2 VAL A 71 -0.021 1.679 6.702 1.00 0.00 C ATOM 0 H VAL A 71 -0.689 0.859 3.662 1.00 0.00 H new ATOM 0 HA VAL A 71 -2.872 2.342 4.980 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.055 2.194 7.095 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.763 -0.198 7.637 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.076 0.064 6.464 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.499 -0.549 5.912 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.176 1.337 7.718 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.546 1.070 5.998 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.281 2.722 6.605 1.00 0.00 H new ATOM 1110 N ILE A 72 -1.370 4.388 5.047 1.00 0.00 N ATOM 1111 CA ILE A 72 -0.660 5.613 4.723 1.00 0.00 C ATOM 1112 C ILE A 72 -0.718 6.563 5.920 1.00 0.00 C ATOM 1113 O ILE A 72 -1.793 6.827 6.456 1.00 0.00 O ATOM 1114 CB ILE A 72 -1.204 6.221 3.428 1.00 0.00 C ATOM 1115 CG1 ILE A 72 -1.090 5.231 2.267 1.00 0.00 C ATOM 1116 CG2 ILE A 72 -0.517 7.551 3.116 1.00 0.00 C ATOM 1117 CD1 ILE A 72 -1.279 5.937 0.923 1.00 0.00 C ATOM 0 H ILE A 72 -2.165 4.509 5.674 1.00 0.00 H new ATOM 0 HA ILE A 72 0.393 5.404 4.532 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.264 6.431 3.569 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.114 4.746 2.293 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.839 4.447 2.378 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.922 7.962 2.191 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.693 8.252 3.932 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.555 7.389 3.002 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.193 5.210 0.115 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.265 6.400 0.891 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.514 6.704 0.804 1.00 0.00 H new ATOM 1129 N ASP A 73 0.452 7.052 6.304 1.00 0.00 N ATOM 1130 CA ASP A 73 0.548 7.968 7.429 1.00 0.00 C ATOM 1131 C ASP A 73 -0.552 9.026 7.314 1.00 0.00 C ATOM 1132 O ASP A 73 -1.014 9.329 6.216 1.00 0.00 O ATOM 1133 CB ASP A 73 1.897 8.688 7.439 1.00 0.00 C ATOM 1134 CG ASP A 73 2.900 8.167 8.470 1.00 0.00 C ATOM 1135 OD1 ASP A 73 3.098 6.933 8.497 1.00 0.00 O ATOM 1136 OD2 ASP A 73 3.447 9.015 9.209 1.00 0.00 O ATOM 0 H ASP A 73 1.342 6.831 5.856 1.00 0.00 H new ATOM 0 HA ASP A 73 0.442 7.389 8.346 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.343 8.607 6.448 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.725 9.748 7.625 1.00 0.00 H new ATOM 1141 N PRO A 74 -0.948 9.572 8.495 1.00 0.00 N ATOM 1142 CA PRO A 74 -1.985 10.590 8.537 1.00 0.00 C ATOM 1143 C PRO A 74 -1.449 11.939 8.053 1.00 0.00 C ATOM 1144 O PRO A 74 -2.216 12.793 7.610 1.00 0.00 O ATOM 1145 CB PRO A 74 -2.447 10.620 9.985 1.00 0.00 C ATOM 1146 CG PRO A 74 -1.342 9.956 10.790 1.00 0.00 C ATOM 1147 CD PRO A 74 -0.423 9.237 9.815 1.00 0.00 C ATOM 0 HA PRO A 74 -2.819 10.369 7.870 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.613 11.644 10.321 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -3.391 10.088 10.105 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -0.786 10.700 11.361 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -1.763 9.252 11.508 1.00 0.00 H new ATOM 0 HD2 PRO A 74 0.609 9.568 9.926 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -0.432 8.160 9.983 1.00 0.00 H new ATOM 1155 N PHE A 75 -0.136 12.089 8.154 1.00 0.00 N ATOM 1156 CA PHE A 75 0.511 13.319 7.731 1.00 0.00 C ATOM 1157 C PHE A 75 0.927 13.243 6.261 1.00 0.00 C ATOM 1158 O PHE A 75 0.978 14.262 5.573 1.00 0.00 O ATOM 1159 CB PHE A 75 1.762 13.486 8.596 1.00 0.00 C ATOM 1160 CG PHE A 75 1.986 14.913 9.098 1.00 0.00 C ATOM 1161 CD1 PHE A 75 1.177 15.430 10.061 1.00 0.00 C ATOM 1162 CD2 PHE A 75 2.995 15.665 8.582 1.00 0.00 C ATOM 1163 CE1 PHE A 75 1.385 16.755 10.527 1.00 0.00 C ATOM 1164 CE2 PHE A 75 3.203 16.990 9.048 1.00 0.00 C ATOM 1165 CZ PHE A 75 2.393 17.507 10.011 1.00 0.00 C ATOM 0 H PHE A 75 0.497 11.379 8.523 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.176 14.158 7.842 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.690 12.817 9.454 1.00 0.00 H new ATOM 0 HB3 PHE A 75 2.633 13.173 8.021 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.376 14.833 10.471 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.638 15.254 7.818 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.742 17.165 11.292 1.00 0.00 H new ATOM 0 HE2 PHE A 75 4.004 17.587 8.638 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.551 18.515 10.366 1.00 0.00 H new ATOM 1175 N SER A 76 1.214 12.026 5.823 1.00 0.00 N ATOM 1176 CA SER A 76 1.624 11.804 4.446 1.00 0.00 C ATOM 1177 C SER A 76 0.397 11.540 3.571 1.00 0.00 C ATOM 1178 O SER A 76 0.460 11.676 2.350 1.00 0.00 O ATOM 1179 CB SER A 76 2.608 10.637 4.347 1.00 0.00 C ATOM 1180 OG SER A 76 2.939 10.332 2.995 1.00 0.00 O ATOM 0 H SER A 76 1.171 11.184 6.397 1.00 0.00 H new ATOM 0 HA SER A 76 2.129 12.702 4.090 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.517 10.881 4.897 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.175 9.756 4.822 1.00 0.00 H new ATOM 0 HG SER A 76 3.570 9.583 2.974 1.00 0.00 H new ATOM 1186 N MET A 77 -0.691 11.166 4.229 1.00 0.00 N ATOM 1187 CA MET A 77 -1.930 10.881 3.526 1.00 0.00 C ATOM 1188 C MET A 77 -2.384 12.090 2.705 1.00 0.00 C ATOM 1189 O MET A 77 -2.713 11.956 1.527 1.00 0.00 O ATOM 1190 CB MET A 77 -3.018 10.513 4.537 1.00 0.00 C ATOM 1191 CG MET A 77 -3.325 9.014 4.489 1.00 0.00 C ATOM 1192 SD MET A 77 -3.707 8.522 2.817 1.00 0.00 S ATOM 1193 CE MET A 77 -4.860 9.810 2.371 1.00 0.00 C ATOM 0 H MET A 77 -0.740 11.054 5.242 1.00 0.00 H new ATOM 0 HA MET A 77 -1.757 10.047 2.846 1.00 0.00 H new ATOM 0 HB2 MET A 77 -2.696 10.790 5.541 1.00 0.00 H new ATOM 0 HB3 MET A 77 -3.924 11.081 4.325 1.00 0.00 H new ATOM 0 HG2 MET A 77 -2.470 8.447 4.857 1.00 0.00 H new ATOM 0 HG3 MET A 77 -4.165 8.785 5.145 1.00 0.00 H new ATOM 0 HE1 MET A 77 -5.587 9.418 1.660 1.00 0.00 H new ATOM 0 HE2 MET A 77 -5.379 10.159 3.264 1.00 0.00 H new ATOM 0 HE3 MET A 77 -4.320 10.641 1.917 1.00 0.00 H new ATOM 1203 N PRO A 78 -2.389 13.272 3.377 1.00 0.00 N ATOM 1204 CA PRO A 78 -2.798 14.503 2.722 1.00 0.00 C ATOM 1205 C PRO A 78 -1.709 15.007 1.772 1.00 0.00 C ATOM 1206 O PRO A 78 -1.861 16.056 1.149 1.00 0.00 O ATOM 1207 CB PRO A 78 -3.092 15.472 3.855 1.00 0.00 C ATOM 1208 CG PRO A 78 -2.397 14.904 5.081 1.00 0.00 C ATOM 1209 CD PRO A 78 -2.006 13.468 4.772 1.00 0.00 C ATOM 0 HA PRO A 78 -3.676 14.371 2.090 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -2.719 16.470 3.622 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -4.165 15.563 4.022 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -1.515 15.495 5.328 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -3.058 14.942 5.947 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -0.937 13.309 4.915 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -2.523 12.767 5.427 1.00 0.00 H new ATOM 1217 N TYR A 79 -0.634 14.236 1.693 1.00 0.00 N ATOM 1218 CA TYR A 79 0.480 14.591 0.830 1.00 0.00 C ATOM 1219 C TYR A 79 0.460 13.765 -0.458 1.00 0.00 C ATOM 1220 O TYR A 79 1.317 13.938 -1.324 1.00 0.00 O ATOM 1221 CB TYR A 79 1.747 14.254 1.618 1.00 0.00 C ATOM 1222 CG TYR A 79 2.719 15.426 1.763 1.00 0.00 C ATOM 1223 CD1 TYR A 79 3.658 15.670 0.781 1.00 0.00 C ATOM 1224 CD2 TYR A 79 2.658 16.240 2.876 1.00 0.00 C ATOM 1225 CE1 TYR A 79 4.573 16.774 0.918 1.00 0.00 C ATOM 1226 CE2 TYR A 79 3.573 17.343 3.013 1.00 0.00 C ATOM 1227 CZ TYR A 79 4.485 17.556 2.027 1.00 0.00 C ATOM 1228 OH TYR A 79 5.349 18.598 2.156 1.00 0.00 O ATOM 0 H TYR A 79 -0.511 13.367 2.213 1.00 0.00 H new ATOM 0 HA TYR A 79 0.429 15.643 0.550 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.463 13.906 2.611 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.260 13.428 1.125 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.707 15.033 -0.090 1.00 0.00 H new ATOM 0 HD2 TYR A 79 1.923 16.049 3.644 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.312 16.976 0.157 1.00 0.00 H new ATOM 0 HE2 TYR A 79 3.536 17.987 3.879 1.00 0.00 H new ATOM 0 HH TYR A 79 5.170 19.070 2.996 1.00 0.00 H new ATOM 1238 N VAL A 80 -0.528 12.886 -0.545 1.00 0.00 N ATOM 1239 CA VAL A 80 -0.670 12.034 -1.713 1.00 0.00 C ATOM 1240 C VAL A 80 -2.146 11.674 -1.899 1.00 0.00 C ATOM 1241 O VAL A 80 -2.468 10.668 -2.529 1.00 0.00 O ATOM 1242 CB VAL A 80 0.232 10.805 -1.578 1.00 0.00 C ATOM 1243 CG1 VAL A 80 1.649 11.209 -1.166 1.00 0.00 C ATOM 1244 CG2 VAL A 80 -0.360 9.796 -0.591 1.00 0.00 C ATOM 0 H VAL A 80 -1.237 12.746 0.174 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.347 12.560 -2.611 1.00 0.00 H new ATOM 0 HB VAL A 80 0.291 10.323 -2.554 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.270 10.318 -1.077 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.072 11.872 -1.920 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.616 11.725 -0.207 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.300 8.932 -0.514 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.463 10.263 0.389 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.339 9.473 -0.944 1.00 0.00 H new ATOM 1254 N ASN A 81 -3.002 12.516 -1.340 1.00 0.00 N ATOM 1255 CA ASN A 81 -4.436 12.300 -1.437 1.00 0.00 C ATOM 1256 C ASN A 81 -4.793 11.917 -2.875 1.00 0.00 C ATOM 1257 O ASN A 81 -4.473 12.645 -3.813 1.00 0.00 O ATOM 1258 CB ASN A 81 -5.210 13.570 -1.080 1.00 0.00 C ATOM 1259 CG ASN A 81 -6.698 13.413 -1.398 1.00 0.00 C ATOM 1260 OD1 ASN A 81 -7.469 12.863 -0.629 1.00 0.00 O ATOM 1261 ND2 ASN A 81 -7.057 13.925 -2.572 1.00 0.00 N ATOM 0 H ASN A 81 -2.731 13.349 -0.818 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.705 11.506 -0.740 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.082 13.792 -0.021 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.803 14.416 -1.634 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -8.029 13.870 -2.876 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -6.360 14.372 -3.168 1.00 0.00 H new ATOM 1268 N GLY A 82 -5.453 10.775 -3.002 1.00 0.00 N ATOM 1269 CA GLY A 82 -5.858 10.286 -4.309 1.00 0.00 C ATOM 1270 C GLY A 82 -4.732 10.458 -5.331 1.00 0.00 C ATOM 1271 O GLY A 82 -4.990 10.615 -6.524 1.00 0.00 O ATOM 0 H GLY A 82 -5.717 10.174 -2.221 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.133 9.234 -4.239 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.744 10.825 -4.644 1.00 0.00 H new ATOM 1275 N ALA A 83 -3.507 10.422 -4.827 1.00 0.00 N ATOM 1276 CA ALA A 83 -2.342 10.571 -5.681 1.00 0.00 C ATOM 1277 C ALA A 83 -2.114 9.273 -6.459 1.00 0.00 C ATOM 1278 O ALA A 83 -2.645 8.226 -6.093 1.00 0.00 O ATOM 1279 CB ALA A 83 -1.131 10.961 -4.830 1.00 0.00 C ATOM 0 H ALA A 83 -3.297 10.292 -3.837 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.500 11.367 -6.408 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.257 11.073 -5.471 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.332 11.904 -4.322 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.941 10.184 -4.090 1.00 0.00 H new ATOM 1285 N GLU A 84 -1.325 9.385 -7.517 1.00 0.00 N ATOM 1286 CA GLU A 84 -1.021 8.234 -8.349 1.00 0.00 C ATOM 1287 C GLU A 84 0.443 7.824 -8.173 1.00 0.00 C ATOM 1288 O GLU A 84 1.342 8.483 -8.692 1.00 0.00 O ATOM 1289 CB GLU A 84 -1.338 8.520 -9.818 1.00 0.00 C ATOM 1290 CG GLU A 84 -2.506 7.659 -10.304 1.00 0.00 C ATOM 1291 CD GLU A 84 -3.101 8.223 -11.596 1.00 0.00 C ATOM 1292 OE1 GLU A 84 -2.298 8.663 -12.447 1.00 0.00 O ATOM 1293 OE2 GLU A 84 -4.346 8.202 -11.704 1.00 0.00 O ATOM 0 H GLU A 84 -0.887 10.256 -7.817 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.651 7.404 -8.031 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.583 9.575 -9.942 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.457 8.323 -10.429 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.165 6.638 -10.472 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -3.276 7.615 -9.533 1.00 0.00 H new ATOM 1300 N LEU A 85 0.636 6.737 -7.440 1.00 0.00 N ATOM 1301 CA LEU A 85 1.975 6.232 -7.190 1.00 0.00 C ATOM 1302 C LEU A 85 2.220 4.996 -8.059 1.00 0.00 C ATOM 1303 O LEU A 85 1.658 3.932 -7.803 1.00 0.00 O ATOM 1304 CB LEU A 85 2.183 5.983 -5.695 1.00 0.00 C ATOM 1305 CG LEU A 85 3.013 4.751 -5.329 1.00 0.00 C ATOM 1306 CD1 LEU A 85 4.438 4.868 -5.873 1.00 0.00 C ATOM 1307 CD2 LEU A 85 2.994 4.506 -3.819 1.00 0.00 C ATOM 0 H LEU A 85 -0.112 6.192 -7.011 1.00 0.00 H new ATOM 0 HA LEU A 85 2.721 6.974 -7.473 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.664 6.861 -5.264 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.205 5.891 -5.223 1.00 0.00 H new ATOM 0 HG LEU A 85 2.559 3.880 -5.802 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.006 3.979 -5.599 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.407 4.958 -6.959 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.918 5.750 -5.450 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.591 3.625 -3.586 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.409 5.372 -3.305 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.967 4.346 -3.489 1.00 0.00 H new ATOM 1319 N ASP A 86 3.059 5.179 -9.068 1.00 0.00 N ATOM 1320 CA ASP A 86 3.385 4.092 -9.976 1.00 0.00 C ATOM 1321 C ASP A 86 4.699 3.442 -9.536 1.00 0.00 C ATOM 1322 O ASP A 86 5.777 3.968 -9.808 1.00 0.00 O ATOM 1323 CB ASP A 86 3.567 4.605 -11.405 1.00 0.00 C ATOM 1324 CG ASP A 86 3.159 6.063 -11.626 1.00 0.00 C ATOM 1325 OD1 ASP A 86 3.579 6.901 -10.799 1.00 0.00 O ATOM 1326 OD2 ASP A 86 2.437 6.307 -12.617 1.00 0.00 O ATOM 0 H ASP A 86 3.523 6.063 -9.277 1.00 0.00 H new ATOM 0 HA ASP A 86 2.565 3.375 -9.952 1.00 0.00 H new ATOM 0 HB2 ASP A 86 4.614 4.490 -11.686 1.00 0.00 H new ATOM 0 HB3 ASP A 86 2.986 3.975 -12.078 1.00 0.00 H new ATOM 1331 N TYR A 87 4.565 2.309 -8.863 1.00 0.00 N ATOM 1332 CA TYR A 87 5.728 1.582 -8.383 1.00 0.00 C ATOM 1333 C TYR A 87 6.285 0.660 -9.469 1.00 0.00 C ATOM 1334 O TYR A 87 5.551 -0.144 -10.042 1.00 0.00 O ATOM 1335 CB TYR A 87 5.238 0.731 -7.209 1.00 0.00 C ATOM 1336 CG TYR A 87 6.244 0.617 -6.062 1.00 0.00 C ATOM 1337 CD1 TYR A 87 6.644 1.747 -5.379 1.00 0.00 C ATOM 1338 CD2 TYR A 87 6.751 -0.617 -5.709 1.00 0.00 C ATOM 1339 CE1 TYR A 87 7.590 1.640 -4.299 1.00 0.00 C ATOM 1340 CE2 TYR A 87 7.697 -0.725 -4.629 1.00 0.00 C ATOM 1341 CZ TYR A 87 8.070 0.408 -3.977 1.00 0.00 C ATOM 1342 OH TYR A 87 8.964 0.307 -2.957 1.00 0.00 O ATOM 0 H TYR A 87 3.669 1.876 -8.639 1.00 0.00 H new ATOM 0 HA TYR A 87 6.521 2.273 -8.096 1.00 0.00 H new ATOM 0 HB2 TYR A 87 4.312 1.158 -6.825 1.00 0.00 H new ATOM 0 HB3 TYR A 87 5.001 -0.269 -7.572 1.00 0.00 H new ATOM 0 HD1 TYR A 87 6.247 2.713 -5.655 1.00 0.00 H new ATOM 0 HD2 TYR A 87 6.438 -1.502 -6.243 1.00 0.00 H new ATOM 0 HE1 TYR A 87 7.911 2.517 -3.757 1.00 0.00 H new ATOM 0 HE2 TYR A 87 8.101 -1.685 -4.343 1.00 0.00 H new ATOM 0 HH TYR A 87 9.674 0.972 -3.077 1.00 0.00 H new ATOM 1352 N VAL A 88 7.578 0.807 -9.720 1.00 0.00 N ATOM 1353 CA VAL A 88 8.241 -0.003 -10.727 1.00 0.00 C ATOM 1354 C VAL A 88 8.675 -1.331 -10.103 1.00 0.00 C ATOM 1355 O VAL A 88 8.894 -1.411 -8.895 1.00 0.00 O ATOM 1356 CB VAL A 88 9.405 0.777 -11.342 1.00 0.00 C ATOM 1357 CG1 VAL A 88 10.311 -0.145 -12.160 1.00 0.00 C ATOM 1358 CG2 VAL A 88 8.895 1.941 -12.194 1.00 0.00 C ATOM 0 H VAL A 88 8.184 1.475 -9.243 1.00 0.00 H new ATOM 0 HA VAL A 88 7.556 -0.236 -11.542 1.00 0.00 H new ATOM 0 HB VAL A 88 9.998 1.193 -10.527 1.00 0.00 H new ATOM 0 HG11 VAL A 88 11.130 0.434 -12.586 1.00 0.00 H new ATOM 0 HG12 VAL A 88 10.715 -0.924 -11.514 1.00 0.00 H new ATOM 0 HG13 VAL A 88 9.734 -0.603 -12.964 1.00 0.00 H new ATOM 0 HG21 VAL A 88 9.742 2.479 -12.619 1.00 0.00 H new ATOM 0 HG22 VAL A 88 8.269 1.556 -12.999 1.00 0.00 H new ATOM 0 HG23 VAL A 88 8.310 2.619 -11.572 1.00 0.00 H new ATOM 1447 N GLY A 95 11.315 0.041 -8.321 1.00 0.00 N ATOM 1448 CA GLY A 95 11.610 1.462 -8.237 1.00 0.00 C ATOM 1449 C GLY A 95 10.430 2.233 -7.642 1.00 0.00 C ATOM 1450 O GLY A 95 9.415 1.639 -7.280 1.00 0.00 O ATOM 0 HA2 GLY A 95 12.497 1.617 -7.623 1.00 0.00 H new ATOM 0 HA3 GLY A 95 11.838 1.849 -9.230 1.00 0.00 H new ATOM 1454 N PHE A 96 10.603 3.544 -7.559 1.00 0.00 N ATOM 1455 CA PHE A 96 9.565 4.402 -7.014 1.00 0.00 C ATOM 1456 C PHE A 96 9.264 5.567 -7.960 1.00 0.00 C ATOM 1457 O PHE A 96 10.175 6.277 -8.385 1.00 0.00 O ATOM 1458 CB PHE A 96 10.093 4.959 -5.691 1.00 0.00 C ATOM 1459 CG PHE A 96 11.063 4.023 -4.965 1.00 0.00 C ATOM 1460 CD1 PHE A 96 12.330 3.862 -5.432 1.00 0.00 C ATOM 1461 CD2 PHE A 96 10.658 3.353 -3.854 1.00 0.00 C ATOM 1462 CE1 PHE A 96 13.230 2.994 -4.759 1.00 0.00 C ATOM 1463 CE2 PHE A 96 11.557 2.485 -3.181 1.00 0.00 C ATOM 1464 CZ PHE A 96 12.825 2.324 -3.648 1.00 0.00 C ATOM 0 H PHE A 96 11.446 4.033 -7.860 1.00 0.00 H new ATOM 0 HA PHE A 96 8.646 3.832 -6.877 1.00 0.00 H new ATOM 0 HB2 PHE A 96 10.594 5.908 -5.882 1.00 0.00 H new ATOM 0 HB3 PHE A 96 9.249 5.171 -5.035 1.00 0.00 H new ATOM 0 HD1 PHE A 96 12.652 4.394 -6.315 1.00 0.00 H new ATOM 0 HD2 PHE A 96 9.652 3.481 -3.483 1.00 0.00 H new ATOM 0 HE1 PHE A 96 14.236 2.866 -5.130 1.00 0.00 H new ATOM 0 HE2 PHE A 96 11.235 1.952 -2.298 1.00 0.00 H new ATOM 0 HZ PHE A 96 13.509 1.664 -3.136 1.00 0.00 H new ATOM 1474 N THR A 97 7.984 5.728 -8.261 1.00 0.00 N ATOM 1475 CA THR A 97 7.552 6.794 -9.148 1.00 0.00 C ATOM 1476 C THR A 97 6.140 7.254 -8.782 1.00 0.00 C ATOM 1477 O THR A 97 5.196 6.467 -8.829 1.00 0.00 O ATOM 1478 CB THR A 97 7.673 6.290 -10.587 1.00 0.00 C ATOM 1479 OG1 THR A 97 9.038 6.524 -10.924 1.00 0.00 O ATOM 1480 CG2 THR A 97 6.891 7.155 -11.578 1.00 0.00 C ATOM 0 H THR A 97 7.232 5.138 -7.906 1.00 0.00 H new ATOM 0 HA THR A 97 8.184 7.676 -9.043 1.00 0.00 H new ATOM 0 HB THR A 97 7.316 5.262 -10.642 1.00 0.00 H new ATOM 0 HG1 THR A 97 9.567 6.615 -10.104 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.010 6.754 -12.584 1.00 0.00 H new ATOM 0 HG22 THR A 97 5.835 7.152 -11.309 1.00 0.00 H new ATOM 0 HG23 THR A 97 7.270 8.177 -11.547 1.00 0.00 H new ATOM 1488 N ILE A 98 6.039 8.526 -8.425 1.00 0.00 N ATOM 1489 CA ILE A 98 4.758 9.100 -8.051 1.00 0.00 C ATOM 1490 C ILE A 98 4.439 10.273 -8.980 1.00 0.00 C ATOM 1491 O ILE A 98 5.333 11.023 -9.368 1.00 0.00 O ATOM 1492 CB ILE A 98 4.749 9.470 -6.567 1.00 0.00 C ATOM 1493 CG1 ILE A 98 3.339 9.836 -6.101 1.00 0.00 C ATOM 1494 CG2 ILE A 98 5.757 10.584 -6.274 1.00 0.00 C ATOM 1495 CD1 ILE A 98 3.080 9.325 -4.682 1.00 0.00 C ATOM 0 H ILE A 98 6.824 9.176 -8.387 1.00 0.00 H new ATOM 0 HA ILE A 98 3.961 8.367 -8.177 1.00 0.00 H new ATOM 0 HB ILE A 98 5.059 8.596 -5.995 1.00 0.00 H new ATOM 0 HG12 ILE A 98 3.212 10.918 -6.130 1.00 0.00 H new ATOM 0 HG13 ILE A 98 2.604 9.410 -6.784 1.00 0.00 H new ATOM 0 HG21 ILE A 98 5.731 10.828 -5.212 1.00 0.00 H new ATOM 0 HG22 ILE A 98 6.758 10.249 -6.545 1.00 0.00 H new ATOM 0 HG23 ILE A 98 5.501 11.469 -6.856 1.00 0.00 H new ATOM 0 HD11 ILE A 98 2.070 9.599 -4.375 1.00 0.00 H new ATOM 0 HD12 ILE A 98 3.184 8.240 -4.661 1.00 0.00 H new ATOM 0 HD13 ILE A 98 3.801 9.772 -3.997 1.00 0.00 H new ATOM 1507 N ARG A 99 3.161 10.396 -9.309 1.00 0.00 N ATOM 1508 CA ARG A 99 2.713 11.465 -10.184 1.00 0.00 C ATOM 1509 C ARG A 99 1.574 12.248 -9.526 1.00 0.00 C ATOM 1510 O ARG A 99 0.586 11.662 -9.088 1.00 0.00 O ATOM 1511 CB ARG A 99 2.233 10.913 -11.528 1.00 0.00 C ATOM 1512 CG ARG A 99 2.706 11.796 -12.684 1.00 0.00 C ATOM 1513 CD ARG A 99 1.740 11.713 -13.868 1.00 0.00 C ATOM 1514 NE ARG A 99 2.464 11.273 -15.082 1.00 0.00 N ATOM 1515 CZ ARG A 99 1.866 10.793 -16.180 1.00 0.00 C ATOM 1516 NH1 ARG A 99 0.531 10.688 -16.225 1.00 0.00 N ATOM 1517 NH2 ARG A 99 2.603 10.418 -17.235 1.00 0.00 N ATOM 0 H ARG A 99 2.422 9.772 -8.985 1.00 0.00 H new ATOM 0 HA ARG A 99 3.561 12.127 -10.358 1.00 0.00 H new ATOM 0 HB2 ARG A 99 2.608 9.899 -11.663 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.145 10.854 -11.533 1.00 0.00 H new ATOM 0 HG2 ARG A 99 2.787 12.830 -12.347 1.00 0.00 H new ATOM 0 HG3 ARG A 99 3.702 11.485 -13.000 1.00 0.00 H new ATOM 0 HD2 ARG A 99 0.934 11.015 -13.642 1.00 0.00 H new ATOM 0 HD3 ARG A 99 1.280 12.686 -14.041 1.00 0.00 H new ATOM 0 HE ARG A 99 3.482 11.340 -15.082 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -0.030 10.974 -15.423 1.00 0.00 H new ATOM 0 HH12 ARG A 99 0.076 10.322 -17.062 1.00 0.00 H new ATOM 0 HH21 ARG A 99 3.619 10.498 -17.202 1.00 0.00 H new ATOM 0 HH22 ARG A 99 2.148 10.052 -18.071 1.00 0.00 H new ATOM 1531 N ASN A 100 1.752 13.560 -9.478 1.00 0.00 N ATOM 1532 CA ASN A 100 0.751 14.429 -8.881 1.00 0.00 C ATOM 1533 C ASN A 100 -0.121 15.028 -9.986 1.00 0.00 C ATOM 1534 O ASN A 100 0.375 15.369 -11.058 1.00 0.00 O ATOM 1535 CB ASN A 100 1.407 15.581 -8.119 1.00 0.00 C ATOM 1536 CG ASN A 100 2.315 16.401 -9.038 1.00 0.00 C ATOM 1537 OD1 ASN A 100 1.883 16.993 -10.014 1.00 0.00 O ATOM 1538 ND2 ASN A 100 3.594 16.402 -8.675 1.00 0.00 N ATOM 0 H ASN A 100 2.574 14.042 -9.842 1.00 0.00 H new ATOM 0 HA ASN A 100 0.155 13.833 -8.190 1.00 0.00 H new ATOM 0 HB2 ASN A 100 0.637 16.225 -7.694 1.00 0.00 H new ATOM 0 HB3 ASN A 100 1.988 15.186 -7.286 1.00 0.00 H new ATOM 0 HD21 ASN A 100 4.280 16.919 -9.225 1.00 0.00 H new ATOM 0 HD22 ASN A 100 3.889 15.885 -7.847 1.00 0.00 H new ATOM 1545 N PRO A 101 -1.441 15.142 -9.677 1.00 0.00 N ATOM 1546 CA PRO A 101 -2.388 15.694 -10.631 1.00 0.00 C ATOM 1547 C PRO A 101 -2.244 17.214 -10.728 1.00 0.00 C ATOM 1548 O PRO A 101 -3.090 17.954 -10.228 1.00 0.00 O ATOM 1549 CB PRO A 101 -3.754 15.257 -10.128 1.00 0.00 C ATOM 1550 CG PRO A 101 -3.558 14.876 -8.669 1.00 0.00 C ATOM 1551 CD PRO A 101 -2.065 14.748 -8.417 1.00 0.00 C ATOM 0 HA PRO A 101 -2.220 15.336 -11.647 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -4.483 16.062 -10.227 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -4.131 14.413 -10.705 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -3.992 15.633 -8.015 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -4.064 13.936 -8.449 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -1.745 15.392 -7.598 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -1.796 13.728 -8.144 1.00 0.00 H new