USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 657 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 45 TYR OH : rot 180:sc= -0.251 USER MOD Set 1.2: A 50 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.2) USER MOD Set 2.1: A 33 CYS SG : rot -33:sc= 0.656 USER MOD Set 2.2: A 83 CYS SG : rot 174:sc= 1.18 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN :FLIP amide:sc= -4.71! C(o=-6.3!,f=-4.7!) USER MOD Single : A 18 HIS : no HD1:sc= -4.38! C(o=-4.4!,f=-5.9!) USER MOD Single : A 22 GLN : amide:sc= -0.007 K(o=-0.007,f=-1.3) USER MOD Single : A 28 SER OG : rot 44:sc= 1.17 USER MOD Single : A 30 THR OG1 : rot -23:sc= 0.605 USER MOD Single : A 32 SER OG : rot 180:sc= -0.0391 USER MOD Single : A 37 GLN : amide:sc= -1.05 K(o=-1.1,f=-2.5) USER MOD Single : A 39 GLN : amide:sc=-0.00794 K(o=-0.0079,f=-0.93) USER MOD Single : A 40 THR OG1 : rot -160:sc= -0.973 USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.0308 USER MOD Single : A 46 LYS NZ :NH3+ -135:sc= 0.201 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 166:sc= -0.02 (180deg=-0.24) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -60:sc= -0.232 USER MOD Single : A 54 SER OG : rot 180:sc= 0.00199 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 CYS SG : rot 21:sc= -1.01! USER MOD Single : A 65 THR OG1 : rot 14:sc= 0.943 USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 72 GLN : amide:sc=-0.00676 K(o=-0.0068,f=-1.4) USER MOD Single : A 75 GLN :FLIP amide:sc= -0.275 F(o=-1.7,f=-0.28) USER MOD Single : A 81 TYR OH : rot -5:sc= 0.89 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 89 GLN : amide:sc= -1.78 K(o=-1.8,f=-4.9!) USER MOD Single : A 91 SER OG : rot 91:sc= 0.829 USER MOD Single : A 95 GLN : amide:sc= -0.018 K(o=-0.018,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 88 N VAL A 9 7.299 17.521 3.376 1.00 0.00 N ATOM 89 CA VAL A 9 7.391 16.415 2.430 1.00 0.00 C ATOM 90 C VAL A 9 7.974 15.172 3.093 1.00 0.00 C ATOM 91 O VAL A 9 9.062 15.214 3.666 1.00 0.00 O ATOM 92 CB VAL A 9 8.257 16.789 1.213 1.00 0.00 C ATOM 93 CG1 VAL A 9 8.242 15.669 0.183 1.00 0.00 C ATOM 94 CG2 VAL A 9 7.776 18.095 0.599 1.00 0.00 C ATOM 0 HA VAL A 9 6.377 16.201 2.093 1.00 0.00 H new ATOM 0 HB VAL A 9 9.285 16.928 1.549 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.859 15.951 -0.670 1.00 0.00 H new ATOM 0 HG12 VAL A 9 8.637 14.757 0.631 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.219 15.495 -0.151 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.399 18.344 -0.260 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.741 17.986 0.277 1.00 0.00 H new ATOM 0 HG23 VAL A 9 7.843 18.892 1.340 1.00 0.00 H new ATOM 104 N VAL A 10 7.242 14.065 3.010 1.00 0.00 N ATOM 105 CA VAL A 10 7.687 12.809 3.600 1.00 0.00 C ATOM 106 C VAL A 10 8.321 11.903 2.550 1.00 0.00 C ATOM 107 O VAL A 10 9.343 11.265 2.802 1.00 0.00 O ATOM 108 CB VAL A 10 6.520 12.060 4.271 1.00 0.00 C ATOM 109 CG1 VAL A 10 7.029 10.832 5.012 1.00 0.00 C ATOM 110 CG2 VAL A 10 5.764 12.985 5.212 1.00 0.00 C ATOM 0 H VAL A 10 6.338 14.013 2.540 1.00 0.00 H new ATOM 0 HA VAL A 10 8.431 13.060 4.356 1.00 0.00 H new ATOM 0 HB VAL A 10 5.831 11.727 3.495 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.191 10.316 5.480 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.522 10.161 4.309 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.740 11.139 5.779 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.943 12.439 5.677 1.00 0.00 H new ATOM 0 HG22 VAL A 10 6.441 13.350 5.985 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.366 13.830 4.650 1.00 0.00 H new ATOM 120 N PHE A 11 7.708 11.852 1.372 1.00 0.00 N ATOM 121 CA PHE A 11 8.212 11.023 0.283 1.00 0.00 C ATOM 122 C PHE A 11 8.863 11.882 -0.797 1.00 0.00 C ATOM 123 O PHE A 11 8.863 13.110 -0.712 1.00 0.00 O ATOM 124 CB PHE A 11 7.077 10.195 -0.323 1.00 0.00 C ATOM 125 CG PHE A 11 6.358 9.339 0.680 1.00 0.00 C ATOM 126 CD1 PHE A 11 5.342 9.867 1.459 1.00 0.00 C ATOM 127 CD2 PHE A 11 6.698 8.005 0.842 1.00 0.00 C ATOM 128 CE1 PHE A 11 4.679 9.081 2.383 1.00 0.00 C ATOM 129 CE2 PHE A 11 6.039 7.214 1.764 1.00 0.00 C ATOM 130 CZ PHE A 11 5.027 7.753 2.535 1.00 0.00 C ATOM 0 H PHE A 11 6.862 12.375 1.147 1.00 0.00 H new ATOM 0 HA PHE A 11 8.966 10.350 0.691 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.360 10.867 -0.796 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.482 9.557 -1.109 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.065 10.904 1.343 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.487 7.579 0.241 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.889 9.505 2.986 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.315 6.176 1.882 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.509 7.137 3.255 1.00 0.00 H new ATOM 140 N ALA A 12 9.418 11.227 -1.811 1.00 0.00 N ATOM 141 CA ALA A 12 10.071 11.929 -2.908 1.00 0.00 C ATOM 142 C ALA A 12 9.057 12.696 -3.751 1.00 0.00 C ATOM 143 O ALA A 12 7.931 12.240 -3.953 1.00 0.00 O ATOM 144 CB ALA A 12 10.847 10.949 -3.775 1.00 0.00 C ATOM 0 H ALA A 12 9.428 10.211 -1.895 1.00 0.00 H new ATOM 0 HA ALA A 12 10.768 12.650 -2.481 1.00 0.00 H new ATOM 0 HB1 ALA A 12 11.330 11.488 -4.590 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.605 10.450 -3.171 1.00 0.00 H new ATOM 0 HB3 ALA A 12 10.163 10.206 -4.186 1.00 0.00 H new ATOM 150 N LYS A 13 9.463 13.863 -4.240 1.00 0.00 N ATOM 151 CA LYS A 13 8.590 14.693 -5.061 1.00 0.00 C ATOM 152 C LYS A 13 8.194 13.966 -6.342 1.00 0.00 C ATOM 153 O LYS A 13 7.121 14.204 -6.895 1.00 0.00 O ATOM 154 CB LYS A 13 9.285 16.013 -5.406 1.00 0.00 C ATOM 155 CG LYS A 13 10.586 15.835 -6.169 1.00 0.00 C ATOM 156 CD LYS A 13 11.776 15.744 -5.228 1.00 0.00 C ATOM 157 CE LYS A 13 13.038 16.296 -5.872 1.00 0.00 C ATOM 158 NZ LYS A 13 13.660 15.315 -6.804 1.00 0.00 N ATOM 0 H LYS A 13 10.391 14.255 -4.082 1.00 0.00 H new ATOM 0 HA LYS A 13 7.686 14.903 -4.489 1.00 0.00 H new ATOM 0 HB2 LYS A 13 8.607 16.627 -5.999 1.00 0.00 H new ATOM 0 HB3 LYS A 13 9.486 16.560 -4.485 1.00 0.00 H new ATOM 0 HG2 LYS A 13 10.532 14.932 -6.777 1.00 0.00 H new ATOM 0 HG3 LYS A 13 10.725 16.672 -6.853 1.00 0.00 H new ATOM 0 HD2 LYS A 13 11.561 16.297 -4.313 1.00 0.00 H new ATOM 0 HD3 LYS A 13 11.937 14.705 -4.942 1.00 0.00 H new ATOM 0 HE2 LYS A 13 12.799 17.211 -6.414 1.00 0.00 H new ATOM 0 HE3 LYS A 13 13.755 16.564 -5.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.517 15.729 -7.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 13.912 14.452 -6.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 12.986 15.078 -7.560 1.00 0.00 H new ATOM 172 N GLU A 14 9.068 13.078 -6.807 1.00 0.00 N ATOM 173 CA GLU A 14 8.807 12.316 -8.023 1.00 0.00 C ATOM 174 C GLU A 14 8.099 11.003 -7.701 1.00 0.00 C ATOM 175 O GLU A 14 8.289 9.999 -8.387 1.00 0.00 O ATOM 176 CB GLU A 14 10.115 12.034 -8.765 1.00 0.00 C ATOM 177 CG GLU A 14 10.726 13.266 -9.411 1.00 0.00 C ATOM 178 CD GLU A 14 10.174 13.531 -10.798 1.00 0.00 C ATOM 179 OE1 GLU A 14 8.965 13.826 -10.910 1.00 0.00 O ATOM 180 OE2 GLU A 14 10.951 13.445 -11.772 1.00 0.00 O ATOM 0 H GLU A 14 9.961 12.869 -6.361 1.00 0.00 H new ATOM 0 HA GLU A 14 8.156 12.912 -8.662 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.834 11.606 -8.067 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.932 11.284 -9.534 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.540 14.134 -8.778 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.807 13.142 -9.472 1.00 0.00 H new ATOM 187 N GLN A 15 7.283 11.019 -6.652 1.00 0.00 N ATOM 188 CA GLN A 15 6.548 9.830 -6.237 1.00 0.00 C ATOM 189 C GLN A 15 5.219 9.727 -6.977 1.00 0.00 C ATOM 190 O GLN A 15 4.493 10.708 -7.139 1.00 0.00 O ATOM 191 CB GLN A 15 6.305 9.855 -4.727 1.00 0.00 C ATOM 192 CG GLN A 15 7.567 9.653 -3.904 1.00 0.00 C ATOM 193 CD GLN A 15 7.830 8.194 -3.589 1.00 0.00 C ATOM 194 OE1 GLN A 15 9.035 7.898 -3.114 1.00 0.00 O flip ATOM 195 NE2 GLN A 15 6.961 7.341 -3.770 1.00 0.00 N flip ATOM 0 H GLN A 15 7.114 11.842 -6.074 1.00 0.00 H new ATOM 0 HA GLN A 15 7.150 8.956 -6.485 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.853 10.809 -4.456 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.586 9.077 -4.470 1.00 0.00 H new ATOM 0 HG2 GLN A 15 8.419 10.063 -4.446 1.00 0.00 H new ATOM 0 HG3 GLN A 15 7.482 10.212 -2.972 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.049 7.612 -4.137 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.153 6.363 -3.553 1.00 0.00 H new ATOM 204 N PRO A 16 4.890 8.511 -7.438 1.00 0.00 N ATOM 205 CA PRO A 16 3.646 8.250 -8.168 1.00 0.00 C ATOM 206 C PRO A 16 2.416 8.350 -7.272 1.00 0.00 C ATOM 207 O PRO A 16 2.289 7.616 -6.293 1.00 0.00 O ATOM 208 CB PRO A 16 3.825 6.816 -8.673 1.00 0.00 C ATOM 209 CG PRO A 16 4.782 6.194 -7.716 1.00 0.00 C ATOM 210 CD PRO A 16 5.708 7.296 -7.282 1.00 0.00 C ATOM 0 HA PRO A 16 3.479 8.978 -8.962 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.876 6.280 -8.688 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.216 6.800 -9.690 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.257 5.766 -6.862 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.335 5.383 -8.189 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.036 7.162 -6.251 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.605 7.334 -7.900 1.00 0.00 H new ATOM 218 N ALA A 17 1.513 9.263 -7.615 1.00 0.00 N ATOM 219 CA ALA A 17 0.292 9.457 -6.843 1.00 0.00 C ATOM 220 C ALA A 17 -0.420 8.131 -6.599 1.00 0.00 C ATOM 221 O ALA A 17 -1.117 7.963 -5.598 1.00 0.00 O ATOM 222 CB ALA A 17 -0.633 10.432 -7.555 1.00 0.00 C ATOM 0 H ALA A 17 1.604 9.880 -8.422 1.00 0.00 H new ATOM 0 HA ALA A 17 0.566 9.875 -5.875 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.541 10.567 -6.967 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.130 11.392 -7.672 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.892 10.036 -8.537 1.00 0.00 H new ATOM 228 N HIS A 18 -0.241 7.190 -7.521 1.00 0.00 N ATOM 229 CA HIS A 18 -0.867 5.878 -7.407 1.00 0.00 C ATOM 230 C HIS A 18 -0.273 4.902 -8.418 1.00 0.00 C ATOM 231 O HIS A 18 -0.355 5.120 -9.627 1.00 0.00 O ATOM 232 CB HIS A 18 -2.378 5.990 -7.615 1.00 0.00 C ATOM 233 CG HIS A 18 -3.022 4.704 -8.031 1.00 0.00 C ATOM 234 ND1 HIS A 18 -2.549 3.467 -7.648 1.00 0.00 N ATOM 235 CD2 HIS A 18 -4.111 4.467 -8.800 1.00 0.00 C ATOM 236 CE1 HIS A 18 -3.317 2.524 -8.164 1.00 0.00 C ATOM 237 NE2 HIS A 18 -4.273 3.105 -8.868 1.00 0.00 N ATOM 0 H HIS A 18 0.333 7.312 -8.355 1.00 0.00 H new ATOM 0 HA HIS A 18 -0.673 5.497 -6.404 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -2.839 6.335 -6.690 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -2.577 6.748 -8.372 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -4.736 5.211 -9.272 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -3.186 1.460 -8.033 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -5.011 2.620 -9.379 1.00 0.00 H new ATOM 246 N ARG A 19 0.325 3.827 -7.916 1.00 0.00 N ATOM 247 CA ARG A 19 0.934 2.820 -8.776 1.00 0.00 C ATOM 248 C ARG A 19 0.005 1.622 -8.952 1.00 0.00 C ATOM 249 O ARG A 19 -0.936 1.436 -8.181 1.00 0.00 O ATOM 250 CB ARG A 19 2.271 2.360 -8.191 1.00 0.00 C ATOM 251 CG ARG A 19 3.455 3.194 -8.649 1.00 0.00 C ATOM 252 CD ARG A 19 4.732 2.370 -8.697 1.00 0.00 C ATOM 253 NE ARG A 19 4.930 1.742 -10.000 1.00 0.00 N ATOM 254 CZ ARG A 19 5.821 0.783 -10.226 1.00 0.00 C ATOM 255 NH1 ARG A 19 6.592 0.344 -9.241 1.00 0.00 N ATOM 256 NH2 ARG A 19 5.942 0.261 -11.440 1.00 0.00 N ATOM 0 H ARG A 19 0.401 3.631 -6.918 1.00 0.00 H new ATOM 0 HA ARG A 19 1.108 3.270 -9.753 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.213 2.394 -7.103 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.441 1.320 -8.469 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.250 3.607 -9.637 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.590 4.038 -7.972 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.585 3.010 -8.470 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.696 1.601 -7.926 1.00 0.00 H new ATOM 0 HE ARG A 19 4.353 2.057 -10.780 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.502 0.743 -8.306 1.00 0.00 H new ATOM 0 HH12 ARG A 19 7.275 -0.392 -9.418 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.351 0.596 -12.200 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.626 -0.475 -11.613 1.00 0.00 H new ATOM 270 N GLU A 20 0.276 0.815 -9.973 1.00 0.00 N ATOM 271 CA GLU A 20 -0.537 -0.364 -10.251 1.00 0.00 C ATOM 272 C GLU A 20 0.326 -1.622 -10.292 1.00 0.00 C ATOM 273 O GLU A 20 1.052 -1.859 -11.257 1.00 0.00 O ATOM 274 CB GLU A 20 -1.279 -0.197 -11.578 1.00 0.00 C ATOM 275 CG GLU A 20 -2.548 0.631 -11.467 1.00 0.00 C ATOM 276 CD GLU A 20 -3.770 -0.213 -11.161 1.00 0.00 C ATOM 277 OE1 GLU A 20 -3.599 -1.344 -10.658 1.00 0.00 O ATOM 278 OE2 GLU A 20 -4.897 0.256 -11.425 1.00 0.00 O ATOM 0 H GLU A 20 1.051 0.956 -10.621 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.265 -0.470 -9.447 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.612 0.272 -12.301 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.532 -1.182 -11.970 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.422 1.379 -10.684 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.708 1.171 -12.400 1.00 0.00 H new ATOM 285 N VAL A 21 0.239 -2.426 -9.237 1.00 0.00 N ATOM 286 CA VAL A 21 1.010 -3.661 -9.151 1.00 0.00 C ATOM 287 C VAL A 21 0.129 -4.878 -9.408 1.00 0.00 C ATOM 288 O VAL A 21 -1.026 -4.919 -8.987 1.00 0.00 O ATOM 289 CB VAL A 21 1.682 -3.808 -7.773 1.00 0.00 C ATOM 290 CG1 VAL A 21 2.641 -4.989 -7.770 1.00 0.00 C ATOM 291 CG2 VAL A 21 2.403 -2.524 -7.392 1.00 0.00 C ATOM 0 H VAL A 21 -0.358 -2.244 -8.430 1.00 0.00 H new ATOM 0 HA VAL A 21 1.782 -3.607 -9.919 1.00 0.00 H new ATOM 0 HB VAL A 21 0.908 -3.997 -7.029 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.106 -5.077 -6.788 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.093 -5.904 -7.995 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.412 -4.833 -8.524 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.872 -2.646 -6.416 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.167 -2.301 -8.136 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.687 -1.703 -7.351 1.00 0.00 H new ATOM 301 N GLN A 22 0.684 -5.867 -10.101 1.00 0.00 N ATOM 302 CA GLN A 22 -0.053 -7.086 -10.414 1.00 0.00 C ATOM 303 C GLN A 22 0.735 -8.322 -9.993 1.00 0.00 C ATOM 304 O GLN A 22 1.965 -8.335 -10.049 1.00 0.00 O ATOM 305 CB GLN A 22 -0.362 -7.150 -11.911 1.00 0.00 C ATOM 306 CG GLN A 22 -1.096 -8.415 -12.327 1.00 0.00 C ATOM 307 CD GLN A 22 -1.196 -8.563 -13.832 1.00 0.00 C ATOM 308 OE1 GLN A 22 -0.569 -7.816 -14.584 1.00 0.00 O ATOM 309 NE2 GLN A 22 -1.988 -9.530 -14.281 1.00 0.00 N ATOM 0 H GLN A 22 1.640 -5.848 -10.456 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.990 -7.067 -9.857 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.963 -6.284 -12.187 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.571 -7.081 -12.470 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.581 -9.282 -11.914 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -2.098 -8.406 -11.899 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -2.489 -10.126 -13.622 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -2.095 -9.677 -15.285 1.00 0.00 H new ATOM 318 N ALA A 23 0.019 -9.359 -9.571 1.00 0.00 N ATOM 319 CA ALA A 23 0.652 -10.600 -9.141 1.00 0.00 C ATOM 320 C ALA A 23 -0.240 -11.801 -9.435 1.00 0.00 C ATOM 321 O ALA A 23 -1.337 -11.653 -9.973 1.00 0.00 O ATOM 322 CB ALA A 23 0.984 -10.537 -7.658 1.00 0.00 C ATOM 0 H ALA A 23 -1.000 -9.364 -9.518 1.00 0.00 H new ATOM 0 HA ALA A 23 1.577 -10.721 -9.704 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.456 -11.470 -7.351 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.666 -9.707 -7.473 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.068 -10.388 -7.086 1.00 0.00 H new ATOM 328 N GLU A 24 0.238 -12.989 -9.079 1.00 0.00 N ATOM 329 CA GLU A 24 -0.517 -14.215 -9.306 1.00 0.00 C ATOM 330 C GLU A 24 -1.018 -14.799 -7.988 1.00 0.00 C ATOM 331 O GLU A 24 -0.565 -14.408 -6.913 1.00 0.00 O ATOM 332 CB GLU A 24 0.348 -15.245 -10.037 1.00 0.00 C ATOM 333 CG GLU A 24 0.637 -14.881 -11.483 1.00 0.00 C ATOM 334 CD GLU A 24 0.871 -16.099 -12.356 1.00 0.00 C ATOM 335 OE1 GLU A 24 1.873 -16.808 -12.126 1.00 0.00 O ATOM 336 OE2 GLU A 24 0.054 -16.343 -13.268 1.00 0.00 O ATOM 0 H GLU A 24 1.144 -13.128 -8.632 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.380 -13.970 -9.925 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.292 -15.358 -9.504 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.152 -16.213 -10.008 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.199 -14.307 -11.883 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.515 -14.236 -11.523 1.00 0.00 H new ATOM 343 N ALA A 25 -1.955 -15.736 -8.081 1.00 0.00 N ATOM 344 CA ALA A 25 -2.517 -16.375 -6.897 1.00 0.00 C ATOM 345 C ALA A 25 -1.466 -17.210 -6.173 1.00 0.00 C ATOM 346 O ALA A 25 -0.952 -18.186 -6.718 1.00 0.00 O ATOM 347 CB ALA A 25 -3.710 -17.238 -7.278 1.00 0.00 C ATOM 0 H ALA A 25 -2.341 -16.070 -8.964 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.853 -15.592 -6.217 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.119 -17.709 -6.384 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.475 -16.616 -7.743 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.392 -18.008 -7.980 1.00 0.00 H new ATOM 353 N GLY A 26 -1.151 -16.820 -4.942 1.00 0.00 N ATOM 354 CA GLY A 26 -0.162 -17.544 -4.165 1.00 0.00 C ATOM 355 C GLY A 26 1.230 -16.963 -4.312 1.00 0.00 C ATOM 356 O GLY A 26 2.134 -17.297 -3.546 1.00 0.00 O ATOM 0 H GLY A 26 -1.563 -16.016 -4.469 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.449 -17.530 -3.114 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -0.152 -18.588 -4.478 1.00 0.00 H new ATOM 360 N ALA A 27 1.405 -16.092 -5.300 1.00 0.00 N ATOM 361 CA ALA A 27 2.697 -15.463 -5.545 1.00 0.00 C ATOM 362 C ALA A 27 3.081 -14.533 -4.400 1.00 0.00 C ATOM 363 O ALA A 27 2.371 -14.440 -3.399 1.00 0.00 O ATOM 364 CB ALA A 27 2.672 -14.701 -6.862 1.00 0.00 C ATOM 0 H ALA A 27 0.668 -15.806 -5.944 1.00 0.00 H new ATOM 0 HA ALA A 27 3.450 -16.249 -5.607 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.643 -14.236 -7.032 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.452 -15.390 -7.677 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.903 -13.930 -6.822 1.00 0.00 H new ATOM 370 N SER A 28 4.208 -13.846 -4.554 1.00 0.00 N ATOM 371 CA SER A 28 4.688 -12.925 -3.530 1.00 0.00 C ATOM 372 C SER A 28 4.847 -11.518 -4.096 1.00 0.00 C ATOM 373 O SER A 28 5.864 -11.194 -4.709 1.00 0.00 O ATOM 374 CB SER A 28 6.023 -13.412 -2.962 1.00 0.00 C ATOM 375 OG SER A 28 7.038 -13.384 -3.950 1.00 0.00 O ATOM 0 H SER A 28 4.806 -13.910 -5.378 1.00 0.00 H new ATOM 0 HA SER A 28 3.949 -12.894 -2.729 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.314 -12.785 -2.119 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.911 -14.427 -2.580 1.00 0.00 H new ATOM 0 HG SER A 28 6.979 -12.547 -4.456 1.00 0.00 H new ATOM 381 N ALA A 29 3.833 -10.685 -3.886 1.00 0.00 N ATOM 382 CA ALA A 29 3.859 -9.311 -4.373 1.00 0.00 C ATOM 383 C ALA A 29 4.912 -8.488 -3.637 1.00 0.00 C ATOM 384 O ALA A 29 5.495 -8.943 -2.653 1.00 0.00 O ATOM 385 CB ALA A 29 2.487 -8.671 -4.223 1.00 0.00 C ATOM 0 H ALA A 29 2.983 -10.938 -3.382 1.00 0.00 H new ATOM 0 HA ALA A 29 4.124 -9.331 -5.430 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.522 -7.645 -4.591 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.756 -9.238 -4.799 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.199 -8.670 -3.172 1.00 0.00 H new ATOM 391 N THR A 30 5.151 -7.273 -4.122 1.00 0.00 N ATOM 392 CA THR A 30 6.135 -6.387 -3.512 1.00 0.00 C ATOM 393 C THR A 30 5.897 -4.938 -3.919 1.00 0.00 C ATOM 394 O THR A 30 6.100 -4.567 -5.076 1.00 0.00 O ATOM 395 CB THR A 30 7.570 -6.790 -3.900 1.00 0.00 C ATOM 396 OG1 THR A 30 7.790 -8.172 -3.600 1.00 0.00 O ATOM 397 CG2 THR A 30 8.590 -5.936 -3.161 1.00 0.00 C ATOM 0 H THR A 30 4.677 -6.880 -4.935 1.00 0.00 H new ATOM 0 HA THR A 30 6.019 -6.481 -2.432 1.00 0.00 H new ATOM 0 HB THR A 30 7.692 -6.629 -4.971 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.158 -8.462 -2.910 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.596 -6.239 -3.451 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.439 -4.887 -3.416 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.466 -6.070 -2.086 1.00 0.00 H new ATOM 405 N LEU A 31 5.467 -4.122 -2.963 1.00 0.00 N ATOM 406 CA LEU A 31 5.202 -2.711 -3.223 1.00 0.00 C ATOM 407 C LEU A 31 6.317 -1.836 -2.660 1.00 0.00 C ATOM 408 O LEU A 31 6.342 -1.537 -1.466 1.00 0.00 O ATOM 409 CB LEU A 31 3.860 -2.303 -2.613 1.00 0.00 C ATOM 410 CG LEU A 31 2.758 -3.363 -2.645 1.00 0.00 C ATOM 411 CD1 LEU A 31 1.589 -2.945 -1.767 1.00 0.00 C ATOM 412 CD2 LEU A 31 2.294 -3.608 -4.074 1.00 0.00 C ATOM 0 H LEU A 31 5.294 -4.413 -2.001 1.00 0.00 H new ATOM 0 HA LEU A 31 5.162 -2.567 -4.303 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.028 -2.014 -1.576 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.500 -1.417 -3.137 1.00 0.00 H new ATOM 0 HG LEU A 31 3.165 -4.295 -2.252 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.815 -3.712 -1.803 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.931 -2.822 -0.739 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.182 -2.001 -2.129 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.510 -4.365 -4.077 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.905 -2.681 -4.494 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.135 -3.954 -4.675 1.00 0.00 H new ATOM 424 N SER A 32 7.236 -1.425 -3.528 1.00 0.00 N ATOM 425 CA SER A 32 8.354 -0.584 -3.117 1.00 0.00 C ATOM 426 C SER A 32 8.011 0.894 -3.280 1.00 0.00 C ATOM 427 O SER A 32 7.178 1.261 -4.109 1.00 0.00 O ATOM 428 CB SER A 32 9.602 -0.923 -3.935 1.00 0.00 C ATOM 429 OG SER A 32 10.592 0.081 -3.794 1.00 0.00 O ATOM 0 H SER A 32 7.228 -1.661 -4.520 1.00 0.00 H new ATOM 0 HA SER A 32 8.555 -0.778 -2.063 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.004 -1.883 -3.610 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.334 -1.029 -4.986 1.00 0.00 H new ATOM 0 HG SER A 32 11.380 -0.160 -4.325 1.00 0.00 H new ATOM 435 N CYS A 33 8.660 1.736 -2.484 1.00 0.00 N ATOM 436 CA CYS A 33 8.425 3.175 -2.539 1.00 0.00 C ATOM 437 C CYS A 33 9.542 3.936 -1.834 1.00 0.00 C ATOM 438 O CYS A 33 9.953 3.573 -0.732 1.00 0.00 O ATOM 439 CB CYS A 33 7.077 3.516 -1.901 1.00 0.00 C ATOM 440 SG CYS A 33 6.853 2.838 -0.240 1.00 0.00 S ATOM 0 H CYS A 33 9.353 1.448 -1.793 1.00 0.00 H new ATOM 0 HA CYS A 33 8.411 3.477 -3.586 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.972 4.600 -1.856 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.279 3.145 -2.544 1.00 0.00 H new ATOM 0 HG CYS A 33 7.475 1.700 -0.148 1.00 0.00 H new ATOM 446 N GLU A 34 10.031 4.991 -2.478 1.00 0.00 N ATOM 447 CA GLU A 34 11.103 5.801 -1.912 1.00 0.00 C ATOM 448 C GLU A 34 10.570 6.725 -0.821 1.00 0.00 C ATOM 449 O GLU A 34 9.366 6.969 -0.732 1.00 0.00 O ATOM 450 CB GLU A 34 11.781 6.627 -3.008 1.00 0.00 C ATOM 451 CG GLU A 34 12.917 5.898 -3.705 1.00 0.00 C ATOM 452 CD GLU A 34 13.854 6.840 -4.435 1.00 0.00 C ATOM 453 OE1 GLU A 34 14.231 7.875 -3.846 1.00 0.00 O ATOM 454 OE2 GLU A 34 14.210 6.543 -5.595 1.00 0.00 O ATOM 0 H GLU A 34 9.702 5.304 -3.391 1.00 0.00 H new ATOM 0 HA GLU A 34 11.836 5.128 -1.468 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.035 6.913 -3.750 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.166 7.548 -2.571 1.00 0.00 H new ATOM 0 HG2 GLU A 34 13.483 5.327 -2.969 1.00 0.00 H new ATOM 0 HG3 GLU A 34 12.503 5.182 -4.414 1.00 0.00 H new ATOM 461 N VAL A 35 11.475 7.235 0.009 1.00 0.00 N ATOM 462 CA VAL A 35 11.097 8.132 1.094 1.00 0.00 C ATOM 463 C VAL A 35 12.079 9.291 1.217 1.00 0.00 C ATOM 464 O VAL A 35 13.283 9.121 1.025 1.00 0.00 O ATOM 465 CB VAL A 35 11.029 7.386 2.440 1.00 0.00 C ATOM 466 CG1 VAL A 35 9.806 6.482 2.489 1.00 0.00 C ATOM 467 CG2 VAL A 35 12.302 6.587 2.671 1.00 0.00 C ATOM 0 H VAL A 35 12.475 7.042 -0.050 1.00 0.00 H new ATOM 0 HA VAL A 35 10.108 8.522 0.852 1.00 0.00 H new ATOM 0 HB VAL A 35 10.939 8.122 3.239 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.775 5.963 3.447 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.904 7.083 2.372 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.861 5.751 1.682 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.237 6.066 3.626 1.00 0.00 H new ATOM 0 HG22 VAL A 35 12.425 5.859 1.869 1.00 0.00 H new ATOM 0 HG23 VAL A 35 13.158 7.262 2.683 1.00 0.00 H new ATOM 477 N ALA A 36 11.558 10.470 1.539 1.00 0.00 N ATOM 478 CA ALA A 36 12.389 11.658 1.690 1.00 0.00 C ATOM 479 C ALA A 36 13.275 11.554 2.927 1.00 0.00 C ATOM 480 O ALA A 36 14.150 12.391 3.146 1.00 0.00 O ATOM 481 CB ALA A 36 11.520 12.905 1.764 1.00 0.00 C ATOM 0 H ALA A 36 10.563 10.628 1.700 1.00 0.00 H new ATOM 0 HA ALA A 36 13.036 11.732 0.816 1.00 0.00 H new ATOM 0 HB1 ALA A 36 12.154 13.784 1.877 1.00 0.00 H new ATOM 0 HB2 ALA A 36 10.934 12.995 0.849 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.848 12.830 2.619 1.00 0.00 H new ATOM 487 N GLN A 37 13.042 10.522 3.732 1.00 0.00 N ATOM 488 CA GLN A 37 13.818 10.311 4.947 1.00 0.00 C ATOM 489 C GLN A 37 13.890 8.828 5.297 1.00 0.00 C ATOM 490 O GLN A 37 12.872 8.138 5.328 1.00 0.00 O ATOM 491 CB GLN A 37 13.206 11.092 6.111 1.00 0.00 C ATOM 492 CG GLN A 37 13.269 12.600 5.931 1.00 0.00 C ATOM 493 CD GLN A 37 14.691 13.118 5.833 1.00 0.00 C ATOM 494 OE1 GLN A 37 15.643 12.421 6.187 1.00 0.00 O ATOM 495 NE2 GLN A 37 14.842 14.346 5.352 1.00 0.00 N ATOM 0 H GLN A 37 12.322 9.819 3.564 1.00 0.00 H new ATOM 0 HA GLN A 37 14.830 10.673 4.768 1.00 0.00 H new ATOM 0 HB2 GLN A 37 12.165 10.792 6.232 1.00 0.00 H new ATOM 0 HB3 GLN A 37 13.724 10.822 7.031 1.00 0.00 H new ATOM 0 HG2 GLN A 37 12.723 12.877 5.030 1.00 0.00 H new ATOM 0 HG3 GLN A 37 12.767 13.083 6.769 1.00 0.00 H new ATOM 0 HE21 GLN A 37 14.025 14.888 5.071 1.00 0.00 H new ATOM 0 HE22 GLN A 37 15.775 14.748 5.264 1.00 0.00 H new ATOM 504 N ALA A 38 15.100 8.344 5.558 1.00 0.00 N ATOM 505 CA ALA A 38 15.304 6.944 5.907 1.00 0.00 C ATOM 506 C ALA A 38 14.892 6.672 7.349 1.00 0.00 C ATOM 507 O ALA A 38 14.155 5.725 7.625 1.00 0.00 O ATOM 508 CB ALA A 38 16.758 6.552 5.688 1.00 0.00 C ATOM 0 H ALA A 38 15.954 8.901 5.534 1.00 0.00 H new ATOM 0 HA ALA A 38 14.674 6.337 5.257 1.00 0.00 H new ATOM 0 HB1 ALA A 38 16.896 5.504 5.953 1.00 0.00 H new ATOM 0 HB2 ALA A 38 17.021 6.699 4.640 1.00 0.00 H new ATOM 0 HB3 ALA A 38 17.400 7.172 6.314 1.00 0.00 H new ATOM 514 N GLN A 39 15.373 7.506 8.265 1.00 0.00 N ATOM 515 CA GLN A 39 15.054 7.353 9.680 1.00 0.00 C ATOM 516 C GLN A 39 13.548 7.421 9.909 1.00 0.00 C ATOM 517 O GLN A 39 13.053 7.039 10.970 1.00 0.00 O ATOM 518 CB GLN A 39 15.756 8.436 10.502 1.00 0.00 C ATOM 519 CG GLN A 39 15.363 9.850 10.108 1.00 0.00 C ATOM 520 CD GLN A 39 16.352 10.889 10.599 1.00 0.00 C ATOM 521 OE1 GLN A 39 17.243 10.588 11.394 1.00 0.00 O ATOM 522 NE2 GLN A 39 16.200 12.121 10.128 1.00 0.00 N ATOM 0 H GLN A 39 15.985 8.294 8.053 1.00 0.00 H new ATOM 0 HA GLN A 39 15.408 6.374 10.003 1.00 0.00 H new ATOM 0 HB2 GLN A 39 15.527 8.285 11.557 1.00 0.00 H new ATOM 0 HB3 GLN A 39 16.834 8.323 10.390 1.00 0.00 H new ATOM 0 HG2 GLN A 39 15.285 9.912 9.023 1.00 0.00 H new ATOM 0 HG3 GLN A 39 14.376 10.074 10.512 1.00 0.00 H new ATOM 0 HE21 GLN A 39 15.448 12.326 9.471 1.00 0.00 H new ATOM 0 HE22 GLN A 39 16.836 12.862 10.424 1.00 0.00 H new ATOM 531 N THR A 40 12.823 7.910 8.908 1.00 0.00 N ATOM 532 CA THR A 40 11.374 8.029 9.001 1.00 0.00 C ATOM 533 C THR A 40 10.704 6.661 8.936 1.00 0.00 C ATOM 534 O THR A 40 11.223 5.735 8.314 1.00 0.00 O ATOM 535 CB THR A 40 10.810 8.917 7.876 1.00 0.00 C ATOM 536 OG1 THR A 40 11.111 10.292 8.140 1.00 0.00 O ATOM 537 CG2 THR A 40 9.304 8.739 7.748 1.00 0.00 C ATOM 0 H THR A 40 13.216 8.230 8.023 1.00 0.00 H new ATOM 0 HA THR A 40 11.157 8.492 9.964 1.00 0.00 H new ATOM 0 HB THR A 40 11.277 8.616 6.938 1.00 0.00 H new ATOM 0 HG1 THR A 40 10.505 10.864 7.625 1.00 0.00 H new ATOM 0 HG21 THR A 40 8.929 9.376 6.947 1.00 0.00 H new ATOM 0 HG22 THR A 40 9.079 7.697 7.518 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.824 9.016 8.687 1.00 0.00 H new ATOM 545 N GLU A 41 9.549 6.541 9.582 1.00 0.00 N ATOM 546 CA GLU A 41 8.809 5.285 9.597 1.00 0.00 C ATOM 547 C GLU A 41 7.542 5.389 8.752 1.00 0.00 C ATOM 548 O GLU A 41 7.069 6.486 8.456 1.00 0.00 O ATOM 549 CB GLU A 41 8.447 4.897 11.033 1.00 0.00 C ATOM 550 CG GLU A 41 9.516 4.071 11.728 1.00 0.00 C ATOM 551 CD GLU A 41 9.388 2.588 11.438 1.00 0.00 C ATOM 552 OE1 GLU A 41 9.112 2.233 10.273 1.00 0.00 O ATOM 553 OE2 GLU A 41 9.564 1.783 12.376 1.00 0.00 O ATOM 0 H GLU A 41 9.105 7.298 10.102 1.00 0.00 H new ATOM 0 HA GLU A 41 9.448 4.512 9.169 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.267 5.803 11.611 1.00 0.00 H new ATOM 0 HB3 GLU A 41 7.514 4.334 11.024 1.00 0.00 H new ATOM 0 HG2 GLU A 41 10.500 4.416 11.410 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.453 4.234 12.804 1.00 0.00 H new ATOM 560 N VAL A 42 6.999 4.239 8.367 1.00 0.00 N ATOM 561 CA VAL A 42 5.787 4.199 7.557 1.00 0.00 C ATOM 562 C VAL A 42 4.838 3.109 8.041 1.00 0.00 C ATOM 563 O VAL A 42 5.201 2.278 8.874 1.00 0.00 O ATOM 564 CB VAL A 42 6.113 3.958 6.071 1.00 0.00 C ATOM 565 CG1 VAL A 42 7.149 4.959 5.582 1.00 0.00 C ATOM 566 CG2 VAL A 42 6.596 2.532 5.856 1.00 0.00 C ATOM 0 H VAL A 42 7.379 3.322 8.603 1.00 0.00 H new ATOM 0 HA VAL A 42 5.304 5.170 7.663 1.00 0.00 H new ATOM 0 HB VAL A 42 5.202 4.101 5.490 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.367 4.773 4.530 1.00 0.00 H new ATOM 0 HG12 VAL A 42 6.761 5.971 5.699 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.063 4.851 6.166 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.822 2.380 4.801 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.495 2.359 6.448 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.818 1.834 6.165 1.00 0.00 H new ATOM 576 N THR A 43 3.618 3.117 7.512 1.00 0.00 N ATOM 577 CA THR A 43 2.615 2.129 7.890 1.00 0.00 C ATOM 578 C THR A 43 1.627 1.887 6.755 1.00 0.00 C ATOM 579 O THR A 43 0.795 2.742 6.451 1.00 0.00 O ATOM 580 CB THR A 43 1.839 2.569 9.146 1.00 0.00 C ATOM 581 OG1 THR A 43 2.746 2.781 10.233 1.00 0.00 O ATOM 582 CG2 THR A 43 0.806 1.523 9.538 1.00 0.00 C ATOM 0 H THR A 43 3.301 3.797 6.821 1.00 0.00 H new ATOM 0 HA THR A 43 3.149 1.204 8.107 1.00 0.00 H new ATOM 0 HB THR A 43 1.321 3.501 8.918 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.245 3.062 11.027 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.271 1.856 10.427 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.099 1.385 8.720 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.307 0.578 9.748 1.00 0.00 H new ATOM 590 N TRP A 44 1.723 0.718 6.133 1.00 0.00 N ATOM 591 CA TRP A 44 0.836 0.363 5.031 1.00 0.00 C ATOM 592 C TRP A 44 -0.598 0.193 5.520 1.00 0.00 C ATOM 593 O TRP A 44 -0.832 -0.168 6.673 1.00 0.00 O ATOM 594 CB TRP A 44 1.315 -0.924 4.358 1.00 0.00 C ATOM 595 CG TRP A 44 2.694 -0.816 3.781 1.00 0.00 C ATOM 596 CD1 TRP A 44 3.876 -0.954 4.451 1.00 0.00 C ATOM 597 CD2 TRP A 44 3.033 -0.544 2.417 1.00 0.00 C ATOM 598 NE1 TRP A 44 4.929 -0.784 3.585 1.00 0.00 N ATOM 599 CE2 TRP A 44 4.439 -0.533 2.332 1.00 0.00 C ATOM 600 CE3 TRP A 44 2.286 -0.311 1.259 1.00 0.00 C ATOM 601 CZ2 TRP A 44 5.110 -0.296 1.135 1.00 0.00 C ATOM 602 CZ3 TRP A 44 2.954 -0.076 0.072 1.00 0.00 C ATOM 603 CH2 TRP A 44 4.354 -0.071 0.017 1.00 0.00 C ATOM 0 H TRP A 44 2.406 -0.001 6.373 1.00 0.00 H new ATOM 0 HA TRP A 44 0.858 1.174 4.304 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.296 -1.735 5.086 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.617 -1.192 3.565 1.00 0.00 H new ATOM 0 HD1 TRP A 44 3.969 -1.166 5.506 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.916 -0.836 3.835 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.206 -0.315 1.291 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 6.189 -0.290 1.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.387 0.107 -0.829 1.00 0.00 H new ATOM 0 HH2 TRP A 44 4.846 0.114 -0.926 1.00 0.00 H new ATOM 614 N TYR A 45 -1.555 0.454 4.636 1.00 0.00 N ATOM 615 CA TYR A 45 -2.967 0.332 4.979 1.00 0.00 C ATOM 616 C TYR A 45 -3.767 -0.218 3.802 1.00 0.00 C ATOM 617 O TYR A 45 -3.786 0.369 2.720 1.00 0.00 O ATOM 618 CB TYR A 45 -3.529 1.689 5.404 1.00 0.00 C ATOM 619 CG TYR A 45 -2.935 2.215 6.691 1.00 0.00 C ATOM 620 CD1 TYR A 45 -1.792 3.006 6.679 1.00 0.00 C ATOM 621 CD2 TYR A 45 -3.516 1.922 7.918 1.00 0.00 C ATOM 622 CE1 TYR A 45 -1.245 3.487 7.853 1.00 0.00 C ATOM 623 CE2 TYR A 45 -2.977 2.401 9.097 1.00 0.00 C ATOM 624 CZ TYR A 45 -1.841 3.183 9.059 1.00 0.00 C ATOM 625 OH TYR A 45 -1.300 3.662 10.230 1.00 0.00 O ATOM 0 H TYR A 45 -1.378 0.751 3.676 1.00 0.00 H new ATOM 0 HA TYR A 45 -3.054 -0.366 5.812 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -3.349 2.412 4.609 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.610 1.605 5.520 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -1.324 3.249 5.736 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -4.405 1.309 7.951 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -0.355 4.098 7.826 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -3.442 2.165 10.043 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.841 3.358 10.989 1.00 0.00 H new ATOM 635 N LYS A 46 -4.430 -1.348 4.023 1.00 0.00 N ATOM 636 CA LYS A 46 -5.235 -1.979 2.984 1.00 0.00 C ATOM 637 C LYS A 46 -6.695 -1.551 3.092 1.00 0.00 C ATOM 638 O LYS A 46 -7.417 -1.993 3.987 1.00 0.00 O ATOM 639 CB LYS A 46 -5.131 -3.502 3.082 1.00 0.00 C ATOM 640 CG LYS A 46 -5.371 -4.215 1.763 1.00 0.00 C ATOM 641 CD LYS A 46 -5.384 -5.724 1.939 1.00 0.00 C ATOM 642 CE LYS A 46 -6.213 -6.404 0.859 1.00 0.00 C ATOM 643 NZ LYS A 46 -7.672 -6.327 1.149 1.00 0.00 N ATOM 0 H LYS A 46 -4.426 -1.846 4.913 1.00 0.00 H new ATOM 0 HA LYS A 46 -4.850 -1.657 2.016 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.141 -3.767 3.453 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -5.853 -3.860 3.816 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.321 -3.889 1.340 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.593 -3.937 1.052 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.363 -6.104 1.908 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.788 -5.974 2.920 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.009 -5.936 -0.104 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.914 -7.449 0.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -8.109 -7.256 0.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.815 -6.052 2.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.113 -5.619 0.527 1.00 0.00 H new ATOM 657 N ASP A 47 -7.124 -0.690 2.176 1.00 0.00 N ATOM 658 CA ASP A 47 -8.500 -0.204 2.168 1.00 0.00 C ATOM 659 C ASP A 47 -8.809 0.574 3.443 1.00 0.00 C ATOM 660 O ASP A 47 -9.953 0.617 3.893 1.00 0.00 O ATOM 661 CB ASP A 47 -9.475 -1.373 2.019 1.00 0.00 C ATOM 662 CG ASP A 47 -10.881 -0.915 1.685 1.00 0.00 C ATOM 663 OD1 ASP A 47 -11.656 -0.643 2.625 1.00 0.00 O ATOM 664 OD2 ASP A 47 -11.205 -0.829 0.482 1.00 0.00 O ATOM 0 H ASP A 47 -6.540 -0.314 1.429 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.618 0.467 1.317 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -9.118 -2.042 1.236 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -9.493 -1.947 2.945 1.00 0.00 H new ATOM 669 N GLY A 48 -7.780 1.187 4.021 1.00 0.00 N ATOM 670 CA GLY A 48 -7.963 1.954 5.239 1.00 0.00 C ATOM 671 C GLY A 48 -7.757 1.118 6.487 1.00 0.00 C ATOM 672 O GLY A 48 -8.028 1.571 7.599 1.00 0.00 O ATOM 0 H GLY A 48 -6.824 1.166 3.667 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -7.264 2.791 5.246 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.967 2.377 5.251 1.00 0.00 H new ATOM 676 N LYS A 49 -7.278 -0.108 6.303 1.00 0.00 N ATOM 677 CA LYS A 49 -7.036 -1.011 7.422 1.00 0.00 C ATOM 678 C LYS A 49 -5.549 -1.081 7.753 1.00 0.00 C ATOM 679 O LYS A 49 -4.717 -1.311 6.876 1.00 0.00 O ATOM 680 CB LYS A 49 -7.564 -2.410 7.098 1.00 0.00 C ATOM 681 CG LYS A 49 -9.079 -2.488 7.027 1.00 0.00 C ATOM 682 CD LYS A 49 -9.591 -2.122 5.644 1.00 0.00 C ATOM 683 CE LYS A 49 -11.112 -2.128 5.594 1.00 0.00 C ATOM 684 NZ LYS A 49 -11.700 -1.090 6.485 1.00 0.00 N ATOM 0 H LYS A 49 -7.050 -0.499 5.389 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.565 -0.622 8.292 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.147 -2.735 6.145 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.208 -3.108 7.856 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.405 -3.497 7.282 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.514 -1.816 7.767 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.220 -1.135 5.367 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.199 -2.827 4.911 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.442 -1.957 4.569 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.481 -3.111 5.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.706 -0.962 6.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.610 -1.392 7.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -11.196 -0.190 6.350 1.00 0.00 H new ATOM 698 N LYS A 50 -5.220 -0.881 9.025 1.00 0.00 N ATOM 699 CA LYS A 50 -3.834 -0.924 9.474 1.00 0.00 C ATOM 700 C LYS A 50 -3.228 -2.304 9.237 1.00 0.00 C ATOM 701 O LYS A 50 -3.559 -3.266 9.930 1.00 0.00 O ATOM 702 CB LYS A 50 -3.745 -0.565 10.959 1.00 0.00 C ATOM 703 CG LYS A 50 -2.324 -0.541 11.495 1.00 0.00 C ATOM 704 CD LYS A 50 -2.293 -0.213 12.978 1.00 0.00 C ATOM 705 CE LYS A 50 -2.219 1.287 13.217 1.00 0.00 C ATOM 706 NZ LYS A 50 -0.813 1.778 13.229 1.00 0.00 N ATOM 0 H LYS A 50 -5.896 -0.687 9.764 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.269 -0.193 8.896 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.200 0.413 11.116 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.329 -1.284 11.534 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.854 -1.510 11.326 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.739 0.197 10.946 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.184 -0.615 13.459 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.434 -0.699 13.441 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.779 1.807 12.439 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.696 1.527 14.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.805 2.811 13.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.368 1.535 14.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.283 1.332 12.453 1.00 0.00 H new ATOM 720 N LEU A 51 -2.338 -2.393 8.254 1.00 0.00 N ATOM 721 CA LEU A 51 -1.684 -3.655 7.927 1.00 0.00 C ATOM 722 C LEU A 51 -0.605 -3.991 8.951 1.00 0.00 C ATOM 723 O LEU A 51 0.106 -3.109 9.432 1.00 0.00 O ATOM 724 CB LEU A 51 -1.070 -3.586 6.527 1.00 0.00 C ATOM 725 CG LEU A 51 -2.056 -3.627 5.359 1.00 0.00 C ATOM 726 CD1 LEU A 51 -1.423 -3.044 4.105 1.00 0.00 C ATOM 727 CD2 LEU A 51 -2.526 -5.053 5.108 1.00 0.00 C ATOM 0 H LEU A 51 -2.053 -1.607 7.670 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.437 -4.442 7.949 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.487 -2.668 6.452 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.372 -4.416 6.417 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.923 -3.020 5.619 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.140 -3.082 3.284 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.137 -2.009 4.290 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.538 -3.623 3.841 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.227 -5.063 4.273 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.668 -5.682 4.869 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.020 -5.436 6.001 1.00 0.00 H new ATOM 739 N SER A 52 -0.488 -5.274 9.280 1.00 0.00 N ATOM 740 CA SER A 52 0.504 -5.727 10.249 1.00 0.00 C ATOM 741 C SER A 52 1.488 -6.699 9.605 1.00 0.00 C ATOM 742 O SER A 52 1.099 -7.564 8.820 1.00 0.00 O ATOM 743 CB SER A 52 -0.185 -6.396 11.440 1.00 0.00 C ATOM 744 OG SER A 52 0.766 -6.922 12.350 1.00 0.00 O ATOM 0 H SER A 52 -1.067 -6.018 8.890 1.00 0.00 H new ATOM 0 HA SER A 52 1.057 -4.856 10.600 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.820 -5.672 11.951 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.835 -7.196 11.086 1.00 0.00 H new ATOM 0 HG SER A 52 0.301 -7.343 13.103 1.00 0.00 H new ATOM 750 N SER A 53 2.764 -6.550 9.943 1.00 0.00 N ATOM 751 CA SER A 53 3.806 -7.411 9.396 1.00 0.00 C ATOM 752 C SER A 53 3.723 -8.812 9.995 1.00 0.00 C ATOM 753 O SER A 53 4.136 -9.038 11.132 1.00 0.00 O ATOM 754 CB SER A 53 5.187 -6.810 9.665 1.00 0.00 C ATOM 755 OG SER A 53 6.149 -7.314 8.754 1.00 0.00 O ATOM 0 H SER A 53 3.102 -5.841 10.594 1.00 0.00 H new ATOM 0 HA SER A 53 3.653 -7.485 8.319 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.137 -5.724 9.582 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.494 -7.038 10.686 1.00 0.00 H new ATOM 0 HG SER A 53 6.209 -8.288 8.847 1.00 0.00 H new ATOM 761 N SER A 54 3.185 -9.749 9.220 1.00 0.00 N ATOM 762 CA SER A 54 3.043 -11.127 9.674 1.00 0.00 C ATOM 763 C SER A 54 3.669 -12.095 8.675 1.00 0.00 C ATOM 764 O SER A 54 4.080 -11.699 7.584 1.00 0.00 O ATOM 765 CB SER A 54 1.566 -11.470 9.878 1.00 0.00 C ATOM 766 OG SER A 54 1.417 -12.621 10.692 1.00 0.00 O ATOM 0 H SER A 54 2.841 -9.579 8.275 1.00 0.00 H new ATOM 0 HA SER A 54 3.566 -11.226 10.625 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.054 -10.626 10.339 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.092 -11.641 8.911 1.00 0.00 H new ATOM 0 HG SER A 54 0.464 -12.818 10.809 1.00 0.00 H new ATOM 772 N SER A 55 3.737 -13.367 9.055 1.00 0.00 N ATOM 773 CA SER A 55 4.315 -14.392 8.195 1.00 0.00 C ATOM 774 C SER A 55 3.973 -14.130 6.731 1.00 0.00 C ATOM 775 O SER A 55 4.800 -14.334 5.842 1.00 0.00 O ATOM 776 CB SER A 55 3.812 -15.777 8.607 1.00 0.00 C ATOM 777 OG SER A 55 4.752 -16.782 8.269 1.00 0.00 O ATOM 0 H SER A 55 3.399 -13.712 9.953 1.00 0.00 H new ATOM 0 HA SER A 55 5.398 -14.357 8.309 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.626 -15.795 9.681 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.861 -15.983 8.115 1.00 0.00 H new ATOM 0 HG SER A 55 4.408 -17.657 8.544 1.00 0.00 H new ATOM 783 N LYS A 56 2.749 -13.674 6.489 1.00 0.00 N ATOM 784 CA LYS A 56 2.295 -13.382 5.134 1.00 0.00 C ATOM 785 C LYS A 56 2.861 -12.051 4.647 1.00 0.00 C ATOM 786 O LYS A 56 3.690 -12.013 3.738 1.00 0.00 O ATOM 787 CB LYS A 56 0.766 -13.348 5.083 1.00 0.00 C ATOM 788 CG LYS A 56 0.138 -14.694 4.767 1.00 0.00 C ATOM 789 CD LYS A 56 -1.376 -14.597 4.680 1.00 0.00 C ATOM 790 CE LYS A 56 -2.037 -15.938 4.957 1.00 0.00 C ATOM 791 NZ LYS A 56 -3.513 -15.809 5.105 1.00 0.00 N ATOM 0 H LYS A 56 2.053 -13.498 7.214 1.00 0.00 H new ATOM 0 HA LYS A 56 2.656 -14.173 4.477 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.387 -12.996 6.042 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.452 -12.624 4.331 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.534 -15.069 3.823 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.414 -15.415 5.537 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -1.736 -13.858 5.396 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -1.663 -14.247 3.689 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.813 -16.628 4.144 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -1.617 -16.369 5.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -3.926 -16.745 5.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.728 -15.170 5.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.917 -15.422 4.229 1.00 0.00 H new ATOM 805 N VAL A 57 2.407 -10.961 5.258 1.00 0.00 N ATOM 806 CA VAL A 57 2.870 -9.629 4.888 1.00 0.00 C ATOM 807 C VAL A 57 4.086 -9.221 5.712 1.00 0.00 C ATOM 808 O VAL A 57 4.080 -9.323 6.939 1.00 0.00 O ATOM 809 CB VAL A 57 1.760 -8.577 5.076 1.00 0.00 C ATOM 810 CG1 VAL A 57 2.207 -7.228 4.535 1.00 0.00 C ATOM 811 CG2 VAL A 57 0.476 -9.033 4.400 1.00 0.00 C ATOM 0 H VAL A 57 1.719 -10.974 6.011 1.00 0.00 H new ATOM 0 HA VAL A 57 3.146 -9.671 3.834 1.00 0.00 H new ATOM 0 HB VAL A 57 1.563 -8.467 6.142 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.411 -6.497 4.676 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.099 -6.900 5.068 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.432 -7.319 3.472 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.298 -8.279 4.542 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.656 -9.172 3.334 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.149 -9.976 4.839 1.00 0.00 H new ATOM 821 N ARG A 58 5.129 -8.759 5.030 1.00 0.00 N ATOM 822 CA ARG A 58 6.353 -8.336 5.698 1.00 0.00 C ATOM 823 C ARG A 58 6.727 -6.912 5.298 1.00 0.00 C ATOM 824 O ARG A 58 6.865 -6.605 4.113 1.00 0.00 O ATOM 825 CB ARG A 58 7.500 -9.290 5.360 1.00 0.00 C ATOM 826 CG ARG A 58 8.874 -8.734 5.696 1.00 0.00 C ATOM 827 CD ARG A 58 9.920 -9.836 5.760 1.00 0.00 C ATOM 828 NE ARG A 58 9.622 -10.814 6.803 1.00 0.00 N ATOM 829 CZ ARG A 58 10.518 -11.665 7.290 1.00 0.00 C ATOM 830 NH1 ARG A 58 11.762 -11.657 6.833 1.00 0.00 N ATOM 831 NH2 ARG A 58 10.170 -12.526 8.239 1.00 0.00 N ATOM 0 H ARG A 58 5.150 -8.668 4.014 1.00 0.00 H new ATOM 0 HA ARG A 58 6.176 -8.358 6.773 1.00 0.00 H new ATOM 0 HB2 ARG A 58 7.354 -10.226 5.900 1.00 0.00 H new ATOM 0 HB3 ARG A 58 7.463 -9.526 4.297 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.164 -7.999 4.945 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.833 -8.213 6.653 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.975 -10.340 4.795 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.900 -9.396 5.945 1.00 0.00 H new ATOM 0 HE ARG A 58 8.674 -10.845 7.178 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.034 -10.996 6.105 1.00 0.00 H new ATOM 0 HH12 ARG A 58 12.448 -12.312 7.209 1.00 0.00 H new ATOM 0 HH21 ARG A 58 9.214 -12.534 8.595 1.00 0.00 H new ATOM 0 HH22 ARG A 58 10.859 -13.179 8.612 1.00 0.00 H new ATOM 845 N VAL A 59 6.890 -6.046 6.293 1.00 0.00 N ATOM 846 CA VAL A 59 7.248 -4.655 6.045 1.00 0.00 C ATOM 847 C VAL A 59 8.761 -4.468 6.051 1.00 0.00 C ATOM 848 O VAL A 59 9.374 -4.323 7.108 1.00 0.00 O ATOM 849 CB VAL A 59 6.622 -3.718 7.095 1.00 0.00 C ATOM 850 CG1 VAL A 59 7.052 -2.279 6.851 1.00 0.00 C ATOM 851 CG2 VAL A 59 5.106 -3.839 7.080 1.00 0.00 C ATOM 0 H VAL A 59 6.780 -6.284 7.279 1.00 0.00 H new ATOM 0 HA VAL A 59 6.856 -4.398 5.061 1.00 0.00 H new ATOM 0 HB VAL A 59 6.978 -4.016 8.081 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.600 -1.632 7.603 1.00 0.00 H new ATOM 0 HG12 VAL A 59 8.138 -2.208 6.916 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.727 -1.965 5.859 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.680 -3.170 7.828 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.729 -3.568 6.094 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.821 -4.866 7.307 1.00 0.00 H new ATOM 861 N GLU A 60 9.358 -4.471 4.863 1.00 0.00 N ATOM 862 CA GLU A 60 10.800 -4.302 4.732 1.00 0.00 C ATOM 863 C GLU A 60 11.167 -2.825 4.627 1.00 0.00 C ATOM 864 O GLU A 60 10.517 -2.062 3.914 1.00 0.00 O ATOM 865 CB GLU A 60 11.315 -5.055 3.503 1.00 0.00 C ATOM 866 CG GLU A 60 11.710 -6.494 3.793 1.00 0.00 C ATOM 867 CD GLU A 60 12.752 -7.019 2.824 1.00 0.00 C ATOM 868 OE1 GLU A 60 13.699 -6.268 2.508 1.00 0.00 O ATOM 869 OE2 GLU A 60 12.620 -8.179 2.382 1.00 0.00 O ATOM 0 H GLU A 60 8.865 -4.589 3.978 1.00 0.00 H new ATOM 0 HA GLU A 60 11.271 -4.713 5.625 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.544 -5.047 2.733 1.00 0.00 H new ATOM 0 HB3 GLU A 60 12.177 -4.525 3.097 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.097 -6.563 4.810 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.824 -7.127 3.746 1.00 0.00 H new ATOM 876 N ALA A 61 12.215 -2.429 5.343 1.00 0.00 N ATOM 877 CA ALA A 61 12.670 -1.045 5.331 1.00 0.00 C ATOM 878 C ALA A 61 14.171 -0.963 5.074 1.00 0.00 C ATOM 879 O ALA A 61 14.973 -0.981 6.008 1.00 0.00 O ATOM 880 CB ALA A 61 12.319 -0.362 6.644 1.00 0.00 C ATOM 0 H ALA A 61 12.765 -3.048 5.939 1.00 0.00 H new ATOM 0 HA ALA A 61 12.160 -0.528 4.518 1.00 0.00 H new ATOM 0 HB1 ALA A 61 12.665 0.671 6.621 1.00 0.00 H new ATOM 0 HB2 ALA A 61 11.238 -0.380 6.786 1.00 0.00 H new ATOM 0 HB3 ALA A 61 12.802 -0.888 7.468 1.00 0.00 H new ATOM 886 N VAL A 62 14.545 -0.874 3.801 1.00 0.00 N ATOM 887 CA VAL A 62 15.950 -0.789 3.422 1.00 0.00 C ATOM 888 C VAL A 62 16.335 0.640 3.056 1.00 0.00 C ATOM 889 O VAL A 62 15.527 1.560 3.169 1.00 0.00 O ATOM 890 CB VAL A 62 16.267 -1.715 2.233 1.00 0.00 C ATOM 891 CG1 VAL A 62 16.479 -3.144 2.711 1.00 0.00 C ATOM 892 CG2 VAL A 62 15.156 -1.651 1.196 1.00 0.00 C ATOM 0 H VAL A 62 13.894 -0.859 3.016 1.00 0.00 H new ATOM 0 HA VAL A 62 16.531 -1.108 4.287 1.00 0.00 H new ATOM 0 HB VAL A 62 17.190 -1.373 1.765 1.00 0.00 H new ATOM 0 HG11 VAL A 62 16.702 -3.784 1.857 1.00 0.00 H new ATOM 0 HG12 VAL A 62 17.312 -3.173 3.413 1.00 0.00 H new ATOM 0 HG13 VAL A 62 15.575 -3.500 3.205 1.00 0.00 H new ATOM 0 HG21 VAL A 62 15.397 -2.312 0.363 1.00 0.00 H new ATOM 0 HG22 VAL A 62 14.216 -1.967 1.649 1.00 0.00 H new ATOM 0 HG23 VAL A 62 15.057 -0.629 0.831 1.00 0.00 H new ATOM 902 N GLY A 63 17.577 0.818 2.615 1.00 0.00 N ATOM 903 CA GLY A 63 18.048 2.138 2.238 1.00 0.00 C ATOM 904 C GLY A 63 17.000 2.935 1.487 1.00 0.00 C ATOM 905 O GLY A 63 16.719 2.660 0.319 1.00 0.00 O ATOM 0 H GLY A 63 18.265 0.072 2.512 1.00 0.00 H new ATOM 0 HA2 GLY A 63 18.343 2.685 3.134 1.00 0.00 H new ATOM 0 HA3 GLY A 63 18.939 2.039 1.617 1.00 0.00 H new ATOM 909 N CYS A 64 16.418 3.923 2.157 1.00 0.00 N ATOM 910 CA CYS A 64 15.392 4.761 1.546 1.00 0.00 C ATOM 911 C CYS A 64 14.536 3.953 0.576 1.00 0.00 C ATOM 912 O CYS A 64 14.393 4.314 -0.592 1.00 0.00 O ATOM 913 CB CYS A 64 16.036 5.941 0.816 1.00 0.00 C ATOM 914 SG CYS A 64 17.577 5.529 -0.037 1.00 0.00 S ATOM 0 H CYS A 64 16.639 4.164 3.123 1.00 0.00 H new ATOM 0 HA CYS A 64 14.749 5.141 2.339 1.00 0.00 H new ATOM 0 HB2 CYS A 64 15.326 6.337 0.090 1.00 0.00 H new ATOM 0 HB3 CYS A 64 16.233 6.736 1.535 1.00 0.00 H new ATOM 0 HG CYS A 64 17.633 4.246 -0.236 1.00 0.00 H new ATOM 920 N THR A 65 13.969 2.856 1.069 1.00 0.00 N ATOM 921 CA THR A 65 13.129 1.995 0.246 1.00 0.00 C ATOM 922 C THR A 65 12.222 1.125 1.108 1.00 0.00 C ATOM 923 O THR A 65 12.694 0.262 1.848 1.00 0.00 O ATOM 924 CB THR A 65 13.978 1.087 -0.664 1.00 0.00 C ATOM 925 OG1 THR A 65 14.526 1.851 -1.744 1.00 0.00 O ATOM 926 CG2 THR A 65 13.142 -0.057 -1.218 1.00 0.00 C ATOM 0 H THR A 65 14.076 2.543 2.034 1.00 0.00 H new ATOM 0 HA THR A 65 12.517 2.650 -0.374 1.00 0.00 H new ATOM 0 HB THR A 65 14.789 0.668 -0.068 1.00 0.00 H new ATOM 0 HG1 THR A 65 14.435 2.807 -1.548 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.763 -0.685 -1.858 1.00 0.00 H new ATOM 0 HG22 THR A 65 12.750 -0.654 -0.394 1.00 0.00 H new ATOM 0 HG23 THR A 65 12.313 0.346 -1.800 1.00 0.00 H new ATOM 934 N ARG A 66 10.917 1.358 1.008 1.00 0.00 N ATOM 935 CA ARG A 66 9.944 0.595 1.780 1.00 0.00 C ATOM 936 C ARG A 66 9.175 -0.371 0.883 1.00 0.00 C ATOM 937 O ARG A 66 8.267 0.031 0.156 1.00 0.00 O ATOM 938 CB ARG A 66 8.968 1.539 2.485 1.00 0.00 C ATOM 939 CG ARG A 66 9.646 2.534 3.412 1.00 0.00 C ATOM 940 CD ARG A 66 10.249 1.844 4.625 1.00 0.00 C ATOM 941 NE ARG A 66 10.888 2.793 5.533 1.00 0.00 N ATOM 942 CZ ARG A 66 12.120 3.259 5.361 1.00 0.00 C ATOM 943 NH1 ARG A 66 12.842 2.866 4.321 1.00 0.00 N ATOM 944 NH2 ARG A 66 12.632 4.120 6.231 1.00 0.00 N ATOM 0 H ARG A 66 10.510 2.069 0.400 1.00 0.00 H new ATOM 0 HA ARG A 66 10.485 0.016 2.529 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.398 2.085 1.734 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.255 0.948 3.059 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.427 3.065 2.868 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.922 3.280 3.739 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.469 1.301 5.158 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.982 1.107 4.296 1.00 0.00 H new ATOM 0 HE ARG A 66 10.359 3.116 6.343 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.452 2.204 3.650 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.788 3.226 4.192 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.080 4.424 7.033 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.578 4.477 6.098 1.00 0.00 H new ATOM 958 N ARG A 67 9.546 -1.646 0.940 1.00 0.00 N ATOM 959 CA ARG A 67 8.893 -2.669 0.132 1.00 0.00 C ATOM 960 C ARG A 67 8.030 -3.579 1.000 1.00 0.00 C ATOM 961 O ARG A 67 8.476 -4.070 2.039 1.00 0.00 O ATOM 962 CB ARG A 67 9.936 -3.500 -0.618 1.00 0.00 C ATOM 963 CG ARG A 67 10.724 -4.441 0.279 1.00 0.00 C ATOM 964 CD ARG A 67 11.939 -5.007 -0.439 1.00 0.00 C ATOM 965 NE ARG A 67 11.591 -6.135 -1.299 1.00 0.00 N ATOM 966 CZ ARG A 67 12.485 -6.974 -1.809 1.00 0.00 C ATOM 967 NH1 ARG A 67 13.775 -6.813 -1.547 1.00 0.00 N ATOM 968 NH2 ARG A 67 12.090 -7.977 -2.584 1.00 0.00 N ATOM 0 H ARG A 67 10.295 -1.995 1.537 1.00 0.00 H new ATOM 0 HA ARG A 67 8.249 -2.169 -0.591 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.436 -4.083 -1.392 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.629 -2.828 -1.123 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.044 -3.909 1.175 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.080 -5.257 0.607 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.403 -4.224 -1.039 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.678 -5.326 0.296 1.00 0.00 H new ATOM 0 HE ARG A 67 10.607 -6.287 -1.520 1.00 0.00 H new ATOM 0 HH11 ARG A 67 14.082 -6.043 -0.952 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.460 -7.459 -1.940 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.099 -8.104 -2.788 1.00 0.00 H new ATOM 0 HH22 ARG A 67 12.778 -8.621 -2.975 1.00 0.00 H new ATOM 982 N LEU A 68 6.793 -3.801 0.570 1.00 0.00 N ATOM 983 CA LEU A 68 5.867 -4.652 1.308 1.00 0.00 C ATOM 984 C LEU A 68 5.633 -5.968 0.573 1.00 0.00 C ATOM 985 O LEU A 68 4.865 -6.027 -0.387 1.00 0.00 O ATOM 986 CB LEU A 68 4.536 -3.928 1.519 1.00 0.00 C ATOM 987 CG LEU A 68 3.537 -4.617 2.449 1.00 0.00 C ATOM 988 CD1 LEU A 68 3.743 -4.160 3.885 1.00 0.00 C ATOM 989 CD2 LEU A 68 2.110 -4.341 1.999 1.00 0.00 C ATOM 0 H LEU A 68 6.408 -3.403 -0.287 1.00 0.00 H new ATOM 0 HA LEU A 68 6.311 -4.874 2.279 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.745 -2.934 1.915 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.062 -3.791 0.547 1.00 0.00 H new ATOM 0 HG LEU A 68 3.709 -5.692 2.403 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.023 -4.661 4.533 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.755 -4.410 4.205 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.599 -3.081 3.948 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.413 -4.839 2.673 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.925 -3.267 2.015 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.968 -4.719 0.986 1.00 0.00 H new ATOM 1001 N VAL A 69 6.299 -7.023 1.032 1.00 0.00 N ATOM 1002 CA VAL A 69 6.161 -8.339 0.421 1.00 0.00 C ATOM 1003 C VAL A 69 4.925 -9.062 0.944 1.00 0.00 C ATOM 1004 O VAL A 69 4.790 -9.294 2.146 1.00 0.00 O ATOM 1005 CB VAL A 69 7.402 -9.213 0.683 1.00 0.00 C ATOM 1006 CG1 VAL A 69 7.308 -10.520 -0.089 1.00 0.00 C ATOM 1007 CG2 VAL A 69 8.671 -8.458 0.318 1.00 0.00 C ATOM 0 H VAL A 69 6.940 -6.991 1.825 1.00 0.00 H new ATOM 0 HA VAL A 69 6.058 -8.179 -0.652 1.00 0.00 H new ATOM 0 HB VAL A 69 7.440 -9.450 1.746 1.00 0.00 H new ATOM 0 HG11 VAL A 69 8.194 -11.124 0.109 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.419 -11.066 0.226 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.244 -10.308 -1.156 1.00 0.00 H new ATOM 0 HG21 VAL A 69 9.538 -9.090 0.509 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.644 -8.189 -0.738 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.742 -7.553 0.921 1.00 0.00 H new ATOM 1017 N VAL A 70 4.023 -9.416 0.034 1.00 0.00 N ATOM 1018 CA VAL A 70 2.797 -10.114 0.403 1.00 0.00 C ATOM 1019 C VAL A 70 2.849 -11.577 -0.021 1.00 0.00 C ATOM 1020 O VAL A 70 2.539 -11.913 -1.164 1.00 0.00 O ATOM 1021 CB VAL A 70 1.561 -9.450 -0.231 1.00 0.00 C ATOM 1022 CG1 VAL A 70 0.317 -10.290 0.018 1.00 0.00 C ATOM 1023 CG2 VAL A 70 1.378 -8.040 0.309 1.00 0.00 C ATOM 0 H VAL A 70 4.118 -9.231 -0.965 1.00 0.00 H new ATOM 0 HA VAL A 70 2.714 -10.056 1.488 1.00 0.00 H new ATOM 0 HB VAL A 70 1.717 -9.385 -1.308 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.547 -9.805 -0.437 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.452 -11.278 -0.421 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.154 -10.389 1.091 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.500 -7.586 -0.150 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.243 -8.079 1.390 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.260 -7.443 0.075 1.00 0.00 H new ATOM 1033 N GLN A 71 3.243 -12.443 0.907 1.00 0.00 N ATOM 1034 CA GLN A 71 3.335 -13.872 0.628 1.00 0.00 C ATOM 1035 C GLN A 71 1.952 -14.473 0.402 1.00 0.00 C ATOM 1036 O GLN A 71 1.005 -14.161 1.124 1.00 0.00 O ATOM 1037 CB GLN A 71 4.036 -14.593 1.780 1.00 0.00 C ATOM 1038 CG GLN A 71 5.526 -14.304 1.862 1.00 0.00 C ATOM 1039 CD GLN A 71 6.352 -15.247 1.008 1.00 0.00 C ATOM 1040 OE1 GLN A 71 5.857 -15.814 0.033 1.00 0.00 O ATOM 1041 NE2 GLN A 71 7.617 -15.420 1.371 1.00 0.00 N ATOM 0 H GLN A 71 3.503 -12.181 1.858 1.00 0.00 H new ATOM 0 HA GLN A 71 3.920 -14.002 -0.282 1.00 0.00 H new ATOM 0 HB2 GLN A 71 3.566 -14.302 2.719 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.888 -15.667 1.669 1.00 0.00 H new ATOM 0 HG2 GLN A 71 5.711 -13.277 1.546 1.00 0.00 H new ATOM 0 HG3 GLN A 71 5.851 -14.381 2.900 1.00 0.00 H new ATOM 0 HE21 GLN A 71 7.985 -14.930 2.186 1.00 0.00 H new ATOM 0 HE22 GLN A 71 8.221 -16.043 0.835 1.00 0.00 H new ATOM 1050 N GLN A 72 1.843 -15.335 -0.603 1.00 0.00 N ATOM 1051 CA GLN A 72 0.575 -15.979 -0.923 1.00 0.00 C ATOM 1052 C GLN A 72 -0.486 -14.943 -1.282 1.00 0.00 C ATOM 1053 O GLN A 72 -1.568 -14.920 -0.695 1.00 0.00 O ATOM 1054 CB GLN A 72 0.098 -16.828 0.256 1.00 0.00 C ATOM 1055 CG GLN A 72 0.840 -18.147 0.396 1.00 0.00 C ATOM 1056 CD GLN A 72 0.549 -18.844 1.710 1.00 0.00 C ATOM 1057 OE1 GLN A 72 -0.002 -18.246 2.635 1.00 0.00 O ATOM 1058 NE2 GLN A 72 0.917 -20.117 1.800 1.00 0.00 N ATOM 0 H GLN A 72 2.618 -15.604 -1.210 1.00 0.00 H new ATOM 0 HA GLN A 72 0.732 -16.626 -1.786 1.00 0.00 H new ATOM 0 HB2 GLN A 72 0.215 -16.255 1.176 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -0.967 -17.030 0.140 1.00 0.00 H new ATOM 0 HG2 GLN A 72 0.563 -18.804 -0.428 1.00 0.00 H new ATOM 0 HG3 GLN A 72 1.912 -17.967 0.314 1.00 0.00 H new ATOM 0 HE21 GLN A 72 1.371 -20.574 1.009 1.00 0.00 H new ATOM 0 HE22 GLN A 72 0.746 -20.638 2.660 1.00 0.00 H new ATOM 1067 N ALA A 73 -0.168 -14.088 -2.248 1.00 0.00 N ATOM 1068 CA ALA A 73 -1.094 -13.051 -2.686 1.00 0.00 C ATOM 1069 C ALA A 73 -2.374 -13.660 -3.249 1.00 0.00 C ATOM 1070 O ALA A 73 -2.367 -14.262 -4.321 1.00 0.00 O ATOM 1071 CB ALA A 73 -0.433 -12.156 -3.723 1.00 0.00 C ATOM 0 H ALA A 73 0.724 -14.093 -2.742 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.361 -12.447 -1.819 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.136 -11.386 -4.041 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.448 -11.685 -3.288 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.137 -12.755 -4.584 1.00 0.00 H new ATOM 1077 N GLY A 74 -3.472 -13.499 -2.517 1.00 0.00 N ATOM 1078 CA GLY A 74 -4.744 -14.040 -2.959 1.00 0.00 C ATOM 1079 C GLY A 74 -5.838 -12.992 -2.997 1.00 0.00 C ATOM 1080 O GLY A 74 -5.658 -11.880 -2.501 1.00 0.00 O ATOM 0 H GLY A 74 -3.503 -13.004 -1.626 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.626 -14.473 -3.952 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -5.043 -14.849 -2.292 1.00 0.00 H new ATOM 1084 N GLN A 75 -6.975 -13.345 -3.590 1.00 0.00 N ATOM 1085 CA GLN A 75 -8.100 -12.424 -3.692 1.00 0.00 C ATOM 1086 C GLN A 75 -8.228 -11.577 -2.431 1.00 0.00 C ATOM 1087 O GLN A 75 -8.495 -10.378 -2.501 1.00 0.00 O ATOM 1088 CB GLN A 75 -9.398 -13.197 -3.935 1.00 0.00 C ATOM 1089 CG GLN A 75 -9.353 -14.091 -5.164 1.00 0.00 C ATOM 1090 CD GLN A 75 -9.162 -13.308 -6.448 1.00 0.00 C ATOM 1091 OE1 GLN A 75 -7.935 -12.861 -6.692 1.00 0.00 O flip ATOM 1092 NE2 GLN A 75 -10.106 -13.106 -7.213 1.00 0.00 N flip ATOM 0 H GLN A 75 -7.140 -14.261 -4.006 1.00 0.00 H new ATOM 0 HA GLN A 75 -7.917 -11.759 -4.536 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -9.616 -13.808 -3.059 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -10.219 -12.488 -4.042 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -8.540 -14.809 -5.057 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.278 -14.664 -5.226 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -11.032 -13.468 -6.986 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -9.961 -12.577 -8.073 1.00 0.00 H new ATOM 1101 N ALA A 76 -8.035 -12.209 -1.277 1.00 0.00 N ATOM 1102 CA ALA A 76 -8.126 -11.513 0.000 1.00 0.00 C ATOM 1103 C ALA A 76 -7.129 -10.361 0.070 1.00 0.00 C ATOM 1104 O ALA A 76 -7.500 -9.226 0.367 1.00 0.00 O ATOM 1105 CB ALA A 76 -7.895 -12.484 1.148 1.00 0.00 C ATOM 0 H ALA A 76 -7.815 -13.202 -1.201 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.129 -11.096 0.088 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.966 -11.950 2.096 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.649 -13.270 1.117 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.904 -12.928 1.055 1.00 0.00 H new ATOM 1111 N GLU A 77 -5.864 -10.662 -0.205 1.00 0.00 N ATOM 1112 CA GLU A 77 -4.815 -9.650 -0.171 1.00 0.00 C ATOM 1113 C GLU A 77 -5.010 -8.625 -1.285 1.00 0.00 C ATOM 1114 O GLU A 77 -4.671 -7.453 -1.130 1.00 0.00 O ATOM 1115 CB GLU A 77 -3.439 -10.306 -0.303 1.00 0.00 C ATOM 1116 CG GLU A 77 -3.005 -11.067 0.939 1.00 0.00 C ATOM 1117 CD GLU A 77 -3.365 -10.343 2.222 1.00 0.00 C ATOM 1118 OE1 GLU A 77 -3.200 -9.106 2.272 1.00 0.00 O ATOM 1119 OE2 GLU A 77 -3.812 -11.014 3.175 1.00 0.00 O ATOM 0 H GLU A 77 -5.541 -11.597 -0.453 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.874 -9.135 0.788 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.452 -10.990 -1.152 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.699 -9.537 -0.525 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.472 -12.052 0.939 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.927 -11.225 0.906 1.00 0.00 H new ATOM 1126 N ALA A 78 -5.560 -9.078 -2.407 1.00 0.00 N ATOM 1127 CA ALA A 78 -5.803 -8.201 -3.546 1.00 0.00 C ATOM 1128 C ALA A 78 -6.699 -7.030 -3.156 1.00 0.00 C ATOM 1129 O ALA A 78 -7.794 -7.222 -2.628 1.00 0.00 O ATOM 1130 CB ALA A 78 -6.425 -8.985 -4.692 1.00 0.00 C ATOM 0 H ALA A 78 -5.846 -10.047 -2.551 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.845 -7.798 -3.874 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.601 -8.318 -5.536 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -5.748 -9.784 -4.996 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.372 -9.416 -4.366 1.00 0.00 H new ATOM 1136 N GLY A 79 -6.227 -5.816 -3.420 1.00 0.00 N ATOM 1137 CA GLY A 79 -6.998 -4.632 -3.089 1.00 0.00 C ATOM 1138 C GLY A 79 -6.229 -3.350 -3.342 1.00 0.00 C ATOM 1139 O GLY A 79 -5.648 -3.169 -4.411 1.00 0.00 O ATOM 0 H GLY A 79 -5.324 -5.631 -3.857 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.916 -4.624 -3.677 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.292 -4.675 -2.040 1.00 0.00 H new ATOM 1143 N GLU A 80 -6.228 -2.458 -2.356 1.00 0.00 N ATOM 1144 CA GLU A 80 -5.527 -1.185 -2.480 1.00 0.00 C ATOM 1145 C GLU A 80 -4.684 -0.906 -1.238 1.00 0.00 C ATOM 1146 O GLU A 80 -5.213 -0.749 -0.138 1.00 0.00 O ATOM 1147 CB GLU A 80 -6.525 -0.047 -2.698 1.00 0.00 C ATOM 1148 CG GLU A 80 -6.940 0.130 -4.149 1.00 0.00 C ATOM 1149 CD GLU A 80 -7.919 1.271 -4.342 1.00 0.00 C ATOM 1150 OE1 GLU A 80 -9.036 1.195 -3.789 1.00 0.00 O ATOM 1151 OE2 GLU A 80 -7.568 2.241 -5.046 1.00 0.00 O ATOM 0 H GLU A 80 -6.704 -2.593 -1.464 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.864 -1.247 -3.343 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.414 -0.234 -2.095 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.086 0.884 -2.338 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.053 0.311 -4.757 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.391 -0.795 -4.509 1.00 0.00 H new ATOM 1158 N TYR A 81 -3.370 -0.846 -1.424 1.00 0.00 N ATOM 1159 CA TYR A 81 -2.453 -0.590 -0.320 1.00 0.00 C ATOM 1160 C TYR A 81 -1.972 0.858 -0.337 1.00 0.00 C ATOM 1161 O TYR A 81 -1.681 1.415 -1.396 1.00 0.00 O ATOM 1162 CB TYR A 81 -1.254 -1.537 -0.394 1.00 0.00 C ATOM 1163 CG TYR A 81 -1.609 -2.983 -0.128 1.00 0.00 C ATOM 1164 CD1 TYR A 81 -2.526 -3.653 -0.928 1.00 0.00 C ATOM 1165 CD2 TYR A 81 -1.027 -3.679 0.924 1.00 0.00 C ATOM 1166 CE1 TYR A 81 -2.854 -4.973 -0.688 1.00 0.00 C ATOM 1167 CE2 TYR A 81 -1.347 -5.000 1.171 1.00 0.00 C ATOM 1168 CZ TYR A 81 -2.261 -5.643 0.362 1.00 0.00 C ATOM 1169 OH TYR A 81 -2.584 -6.958 0.605 1.00 0.00 O ATOM 0 H TYR A 81 -2.916 -0.971 -2.329 1.00 0.00 H new ATOM 0 HA TYR A 81 -2.990 -0.766 0.612 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -0.800 -1.459 -1.382 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -0.503 -1.217 0.328 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.991 -3.132 -1.752 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -0.312 -3.179 1.560 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -3.571 -5.478 -1.319 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -0.884 -5.526 1.993 1.00 0.00 H new ATOM 0 HH TYR A 81 -3.301 -7.236 -0.002 1.00 0.00 H new ATOM 1179 N SER A 82 -1.891 1.462 0.844 1.00 0.00 N ATOM 1180 CA SER A 82 -1.448 2.846 0.967 1.00 0.00 C ATOM 1181 C SER A 82 -0.302 2.963 1.966 1.00 0.00 C ATOM 1182 O SER A 82 -0.459 2.653 3.148 1.00 0.00 O ATOM 1183 CB SER A 82 -2.612 3.739 1.402 1.00 0.00 C ATOM 1184 OG SER A 82 -3.787 3.439 0.667 1.00 0.00 O ATOM 0 H SER A 82 -2.126 1.015 1.730 1.00 0.00 H new ATOM 0 HA SER A 82 -1.091 3.175 -0.009 1.00 0.00 H new ATOM 0 HB2 SER A 82 -2.801 3.603 2.467 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.346 4.786 1.257 1.00 0.00 H new ATOM 0 HG SER A 82 -4.517 4.022 0.965 1.00 0.00 H new ATOM 1190 N CYS A 83 0.852 3.412 1.484 1.00 0.00 N ATOM 1191 CA CYS A 83 2.026 3.570 2.334 1.00 0.00 C ATOM 1192 C CYS A 83 2.002 4.916 3.050 1.00 0.00 C ATOM 1193 O CYS A 83 2.486 5.918 2.525 1.00 0.00 O ATOM 1194 CB CYS A 83 3.304 3.444 1.502 1.00 0.00 C ATOM 1195 SG CYS A 83 4.828 3.567 2.467 1.00 0.00 S ATOM 0 H CYS A 83 0.999 3.673 0.509 1.00 0.00 H new ATOM 0 HA CYS A 83 2.010 2.780 3.084 1.00 0.00 H new ATOM 0 HB2 CYS A 83 3.293 2.487 0.981 1.00 0.00 H new ATOM 0 HB3 CYS A 83 3.306 4.222 0.739 1.00 0.00 H new ATOM 0 HG CYS A 83 5.849 3.331 1.698 1.00 0.00 H new ATOM 1201 N GLU A 84 1.434 4.931 4.252 1.00 0.00 N ATOM 1202 CA GLU A 84 1.345 6.156 5.039 1.00 0.00 C ATOM 1203 C GLU A 84 2.669 6.452 5.736 1.00 0.00 C ATOM 1204 O GLU A 84 3.456 5.546 6.010 1.00 0.00 O ATOM 1205 CB GLU A 84 0.225 6.041 6.075 1.00 0.00 C ATOM 1206 CG GLU A 84 -0.426 7.371 6.417 1.00 0.00 C ATOM 1207 CD GLU A 84 -1.090 7.363 7.780 1.00 0.00 C ATOM 1208 OE1 GLU A 84 -0.372 7.187 8.788 1.00 0.00 O ATOM 1209 OE2 GLU A 84 -2.325 7.531 7.841 1.00 0.00 O ATOM 0 H GLU A 84 1.029 4.110 4.702 1.00 0.00 H new ATOM 0 HA GLU A 84 1.120 6.979 4.360 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.537 5.359 5.699 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.628 5.598 6.986 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.328 8.158 6.389 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.169 7.614 5.657 1.00 0.00 H new ATOM 1216 N ALA A 85 2.909 7.728 6.019 1.00 0.00 N ATOM 1217 CA ALA A 85 4.137 8.145 6.685 1.00 0.00 C ATOM 1218 C ALA A 85 4.107 9.635 7.011 1.00 0.00 C ATOM 1219 O ALA A 85 3.667 10.449 6.200 1.00 0.00 O ATOM 1220 CB ALA A 85 5.345 7.817 5.819 1.00 0.00 C ATOM 0 H ALA A 85 2.269 8.491 5.797 1.00 0.00 H new ATOM 0 HA ALA A 85 4.216 7.596 7.623 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.255 8.134 6.329 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.384 6.742 5.641 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.262 8.340 4.866 1.00 0.00 H new ATOM 1226 N GLY A 86 4.576 9.985 8.204 1.00 0.00 N ATOM 1227 CA GLY A 86 4.593 11.376 8.616 1.00 0.00 C ATOM 1228 C GLY A 86 3.237 12.039 8.473 1.00 0.00 C ATOM 1229 O GLY A 86 2.448 12.066 9.417 1.00 0.00 O ATOM 0 H GLY A 86 4.945 9.330 8.893 1.00 0.00 H new ATOM 0 HA2 GLY A 86 4.918 11.440 9.654 1.00 0.00 H new ATOM 0 HA3 GLY A 86 5.325 11.920 8.019 1.00 0.00 H new ATOM 1233 N GLY A 87 2.966 12.578 7.288 1.00 0.00 N ATOM 1234 CA GLY A 87 1.696 13.239 7.047 1.00 0.00 C ATOM 1235 C GLY A 87 1.181 13.009 5.640 1.00 0.00 C ATOM 1236 O GLY A 87 0.232 13.661 5.206 1.00 0.00 O ATOM 0 H GLY A 87 3.603 12.569 6.491 1.00 0.00 H new ATOM 0 HA2 GLY A 87 0.959 12.877 7.764 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.809 14.309 7.219 1.00 0.00 H new ATOM 1240 N GLN A 88 1.809 12.080 4.926 1.00 0.00 N ATOM 1241 CA GLN A 88 1.409 11.768 3.559 1.00 0.00 C ATOM 1242 C GLN A 88 1.255 10.263 3.367 1.00 0.00 C ATOM 1243 O GLN A 88 1.581 9.478 4.257 1.00 0.00 O ATOM 1244 CB GLN A 88 2.435 12.318 2.567 1.00 0.00 C ATOM 1245 CG GLN A 88 2.350 13.824 2.376 1.00 0.00 C ATOM 1246 CD GLN A 88 3.351 14.341 1.361 1.00 0.00 C ATOM 1247 OE1 GLN A 88 3.761 13.618 0.452 1.00 0.00 O ATOM 1248 NE2 GLN A 88 3.750 15.598 1.511 1.00 0.00 N ATOM 0 H GLN A 88 2.596 11.531 5.271 1.00 0.00 H new ATOM 0 HA GLN A 88 0.444 12.240 3.373 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.436 12.060 2.912 1.00 0.00 H new ATOM 0 HB3 GLN A 88 2.294 11.829 1.603 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.343 14.089 2.055 1.00 0.00 H new ATOM 0 HG3 GLN A 88 2.520 14.318 3.333 1.00 0.00 H new ATOM 0 HE21 GLN A 88 3.384 16.161 2.279 1.00 0.00 H new ATOM 0 HE22 GLN A 88 4.422 16.001 0.858 1.00 0.00 H new ATOM 1257 N GLN A 89 0.755 9.869 2.200 1.00 0.00 N ATOM 1258 CA GLN A 89 0.557 8.457 1.892 1.00 0.00 C ATOM 1259 C GLN A 89 0.359 8.249 0.394 1.00 0.00 C ATOM 1260 O GLN A 89 -0.288 9.055 -0.275 1.00 0.00 O ATOM 1261 CB GLN A 89 -0.649 7.911 2.658 1.00 0.00 C ATOM 1262 CG GLN A 89 -1.950 8.629 2.337 1.00 0.00 C ATOM 1263 CD GLN A 89 -2.097 9.936 3.091 1.00 0.00 C ATOM 1264 OE1 GLN A 89 -1.559 10.966 2.683 1.00 0.00 O ATOM 1265 NE2 GLN A 89 -2.829 9.901 4.199 1.00 0.00 N ATOM 0 H GLN A 89 0.480 10.507 1.453 1.00 0.00 H new ATOM 0 HA GLN A 89 1.451 7.915 2.201 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -0.763 6.851 2.431 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -0.455 7.989 3.728 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -1.998 8.825 1.266 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -2.790 7.978 2.580 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -3.257 9.025 4.500 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -2.963 10.750 4.748 1.00 0.00 H new ATOM 1274 N LEU A 90 0.922 7.164 -0.126 1.00 0.00 N ATOM 1275 CA LEU A 90 0.808 6.849 -1.546 1.00 0.00 C ATOM 1276 C LEU A 90 -0.203 5.731 -1.777 1.00 0.00 C ATOM 1277 O LEU A 90 -0.756 5.175 -0.828 1.00 0.00 O ATOM 1278 CB LEU A 90 2.171 6.444 -2.110 1.00 0.00 C ATOM 1279 CG LEU A 90 3.298 7.463 -1.937 1.00 0.00 C ATOM 1280 CD1 LEU A 90 4.652 6.770 -1.956 1.00 0.00 C ATOM 1281 CD2 LEU A 90 3.227 8.527 -3.023 1.00 0.00 C ATOM 0 H LEU A 90 1.462 6.488 0.414 1.00 0.00 H new ATOM 0 HA LEU A 90 0.458 7.742 -2.064 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.476 5.511 -1.636 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.055 6.238 -3.174 1.00 0.00 H new ATOM 0 HG LEU A 90 3.175 7.950 -0.970 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.442 7.511 -1.832 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.702 6.046 -1.142 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.784 6.255 -2.908 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.037 9.243 -2.884 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.324 8.056 -4.001 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.270 9.045 -2.963 1.00 0.00 H new ATOM 1293 N SER A 91 -0.438 5.404 -3.044 1.00 0.00 N ATOM 1294 CA SER A 91 -1.383 4.353 -3.399 1.00 0.00 C ATOM 1295 C SER A 91 -0.685 3.227 -4.157 1.00 0.00 C ATOM 1296 O SER A 91 0.290 3.457 -4.873 1.00 0.00 O ATOM 1297 CB SER A 91 -2.520 4.925 -4.249 1.00 0.00 C ATOM 1298 OG SER A 91 -2.756 6.287 -3.933 1.00 0.00 O ATOM 0 H SER A 91 0.013 5.852 -3.841 1.00 0.00 H new ATOM 0 HA SER A 91 -1.797 3.945 -2.477 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.271 4.831 -5.306 1.00 0.00 H new ATOM 0 HB3 SER A 91 -3.429 4.347 -4.083 1.00 0.00 H new ATOM 0 HG SER A 91 -2.207 6.857 -4.511 1.00 0.00 H new ATOM 1304 N PHE A 92 -1.190 2.010 -3.993 1.00 0.00 N ATOM 1305 CA PHE A 92 -0.615 0.847 -4.659 1.00 0.00 C ATOM 1306 C PHE A 92 -1.663 -0.248 -4.843 1.00 0.00 C ATOM 1307 O PHE A 92 -2.035 -0.931 -3.889 1.00 0.00 O ATOM 1308 CB PHE A 92 0.569 0.306 -3.856 1.00 0.00 C ATOM 1309 CG PHE A 92 1.802 1.157 -3.960 1.00 0.00 C ATOM 1310 CD1 PHE A 92 1.957 2.276 -3.157 1.00 0.00 C ATOM 1311 CD2 PHE A 92 2.807 0.838 -4.859 1.00 0.00 C ATOM 1312 CE1 PHE A 92 3.091 3.061 -3.251 1.00 0.00 C ATOM 1313 CE2 PHE A 92 3.943 1.619 -4.957 1.00 0.00 C ATOM 1314 CZ PHE A 92 4.085 2.732 -4.151 1.00 0.00 C ATOM 0 H PHE A 92 -1.997 1.803 -3.404 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.265 1.159 -5.643 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.280 0.225 -2.808 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.802 -0.701 -4.201 1.00 0.00 H new ATOM 0 HD1 PHE A 92 1.183 2.538 -2.450 1.00 0.00 H new ATOM 0 HD2 PHE A 92 2.701 -0.032 -5.491 1.00 0.00 H new ATOM 0 HE1 PHE A 92 3.199 3.931 -2.621 1.00 0.00 H new ATOM 0 HE2 PHE A 92 4.718 1.360 -5.663 1.00 0.00 H new ATOM 0 HZ PHE A 92 4.972 3.344 -4.225 1.00 0.00 H new ATOM 1324 N ARG A 93 -2.133 -0.408 -6.076 1.00 0.00 N ATOM 1325 CA ARG A 93 -3.138 -1.417 -6.385 1.00 0.00 C ATOM 1326 C ARG A 93 -2.491 -2.785 -6.587 1.00 0.00 C ATOM 1327 O ARG A 93 -1.552 -2.929 -7.371 1.00 0.00 O ATOM 1328 CB ARG A 93 -3.921 -1.021 -7.638 1.00 0.00 C ATOM 1329 CG ARG A 93 -4.939 -2.062 -8.074 1.00 0.00 C ATOM 1330 CD ARG A 93 -6.294 -1.822 -7.427 1.00 0.00 C ATOM 1331 NE ARG A 93 -6.912 -0.584 -7.894 1.00 0.00 N ATOM 1332 CZ ARG A 93 -7.416 -0.430 -9.114 1.00 0.00 C ATOM 1333 NH1 ARG A 93 -7.375 -1.430 -9.983 1.00 0.00 N ATOM 1334 NH2 ARG A 93 -7.963 0.727 -9.465 1.00 0.00 N ATOM 0 H ARG A 93 -1.834 0.148 -6.877 1.00 0.00 H new ATOM 0 HA ARG A 93 -3.825 -1.480 -5.541 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -4.435 -0.078 -7.452 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -3.220 -0.846 -8.454 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -5.043 -2.038 -9.159 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -4.580 -3.057 -7.810 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -6.954 -2.662 -7.646 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -6.177 -1.783 -6.344 1.00 0.00 H new ATOM 0 HE ARG A 93 -6.959 0.205 -7.249 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -6.956 -2.321 -9.716 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -7.763 -1.309 -10.919 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -7.997 1.498 -8.798 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -8.350 0.845 -10.401 1.00 0.00 H new ATOM 1348 N LEU A 94 -2.999 -3.785 -5.876 1.00 0.00 N ATOM 1349 CA LEU A 94 -2.471 -5.141 -5.976 1.00 0.00 C ATOM 1350 C LEU A 94 -3.496 -6.079 -6.604 1.00 0.00 C ATOM 1351 O LEU A 94 -4.594 -6.256 -6.076 1.00 0.00 O ATOM 1352 CB LEU A 94 -2.070 -5.657 -4.593 1.00 0.00 C ATOM 1353 CG LEU A 94 -1.681 -7.134 -4.514 1.00 0.00 C ATOM 1354 CD1 LEU A 94 -0.503 -7.425 -5.430 1.00 0.00 C ATOM 1355 CD2 LEU A 94 -1.354 -7.523 -3.080 1.00 0.00 C ATOM 0 H LEU A 94 -3.776 -3.683 -5.224 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.589 -5.115 -6.616 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.231 -5.061 -4.234 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.900 -5.483 -3.908 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.529 -7.732 -4.847 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.240 -8.481 -5.361 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.774 -7.185 -6.458 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.351 -6.818 -5.129 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.079 -8.577 -3.043 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.522 -6.918 -2.720 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.226 -7.353 -2.449 1.00 0.00 H new ATOM 1367 N GLN A 95 -3.129 -6.680 -7.731 1.00 0.00 N ATOM 1368 CA GLN A 95 -4.017 -7.602 -8.429 1.00 0.00 C ATOM 1369 C GLN A 95 -3.536 -9.041 -8.279 1.00 0.00 C ATOM 1370 O GLN A 95 -2.348 -9.290 -8.069 1.00 0.00 O ATOM 1371 CB GLN A 95 -4.106 -7.234 -9.911 1.00 0.00 C ATOM 1372 CG GLN A 95 -4.831 -5.922 -10.170 1.00 0.00 C ATOM 1373 CD GLN A 95 -5.331 -5.804 -11.596 1.00 0.00 C ATOM 1374 OE1 GLN A 95 -5.026 -6.642 -12.445 1.00 0.00 O ATOM 1375 NE2 GLN A 95 -6.105 -4.759 -11.867 1.00 0.00 N ATOM 0 H GLN A 95 -2.223 -6.545 -8.180 1.00 0.00 H new ATOM 0 HA GLN A 95 -5.007 -7.521 -7.981 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -3.099 -7.170 -10.322 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -4.618 -8.034 -10.445 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -5.674 -5.836 -9.485 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -4.159 -5.091 -9.955 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -6.333 -4.089 -11.133 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -6.472 -4.627 -12.810 1.00 0.00 H new ATOM 1384 N VAL A 96 -4.465 -9.985 -8.386 1.00 0.00 N ATOM 1385 CA VAL A 96 -4.135 -11.400 -8.263 1.00 0.00 C ATOM 1386 C VAL A 96 -4.777 -12.214 -9.380 1.00 0.00 C ATOM 1387 O VAL A 96 -5.929 -11.983 -9.747 1.00 0.00 O ATOM 1388 CB VAL A 96 -4.589 -11.966 -6.904 1.00 0.00 C ATOM 1389 CG1 VAL A 96 -4.262 -13.448 -6.806 1.00 0.00 C ATOM 1390 CG2 VAL A 96 -3.946 -11.193 -5.763 1.00 0.00 C ATOM 0 H VAL A 96 -5.452 -9.796 -8.558 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.050 -11.479 -8.338 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.670 -11.851 -6.826 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.590 -13.830 -5.839 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.775 -13.987 -7.602 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.186 -13.591 -6.906 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.278 -11.607 -4.811 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.861 -11.273 -5.835 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -4.237 -10.144 -5.824 1.00 0.00 H new ATOM 1400 N ALA A 97 -4.024 -13.168 -9.918 1.00 0.00 N ATOM 1401 CA ALA A 97 -4.521 -14.018 -10.993 1.00 0.00 C ATOM 1402 C ALA A 97 -4.888 -15.404 -10.472 1.00 0.00 C ATOM 1403 O ALA A 97 -4.054 -16.307 -10.443 1.00 0.00 O ATOM 1404 CB ALA A 97 -3.485 -14.127 -12.102 1.00 0.00 C ATOM 0 H ALA A 97 -3.068 -13.371 -9.627 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.423 -13.559 -11.397 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.870 -14.765 -12.898 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.274 -13.135 -12.502 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.568 -14.559 -11.702 1.00 0.00 H new