USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 812 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 67 TYR OH : rot 7:sc= 0.316 USER MOD Set 1.2: A 103 CYS SG : rot 7:sc= -1.24 USER MOD Set 1.3: A 104 GLN : amide:sc= -4.54! C(o=-5.5!,f=-6.8!) USER MOD Set 2.1: A 94 HIS : no HE2:sc= -0.089 X(o=0.35,f=0.31) USER MOD Set 2.2: A 98 LYS NZ :NH3+ -177:sc= 0.443 (180deg=0.415) USER MOD Set 3.1: A 87 THR OG1 : rot -141:sc= 0.72 USER MOD Set 3.2: A 89 GLN :FLIP amide:sc= -3.17! F(o=-3.3,f=-2.5!) USER MOD Set 4.1: A 47 LYS NZ :NH3+ 172:sc= 0.98 (180deg=0.00124) USER MOD Set 4.2: A 71 SER OG : rot 141:sc= 0.515 USER MOD Set 5.1: A 43 SER OG : rot 22:sc= 0.139 USER MOD Set 5.2: A 45 SER OG : rot -90:sc= 0.799 USER MOD Set 6.1: A 34 LYS NZ :NH3+ -162:sc= 1.05 (180deg=-0.0575) USER MOD Set 6.2: A 107 THR OG1 : rot -140:sc= 0.91 USER MOD Set 7.1: A 13 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.017) USER MOD Set 7.2: A 27 GLN : amide:sc= -0.13 K(o=-2.1,f=-6.4) USER MOD Set 7.3: A 33 ASN : amide:sc= -0.647 K(o=-2.1,f=-3.7!) USER MOD Set 7.4: A 110 CYS SG : rot -159:sc= -1.37 USER MOD Single : A 18 THR OG1 : rot -60:sc= 0.611 USER MOD Single : A 20 SER OG : rot 160:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 176:sc= 0.158 (180deg=0.152) USER MOD Single : A 32 MET CE :methyl -175:sc= -0.385 (180deg=-0.412) USER MOD Single : A 37 SER OG : rot -91:sc= 0.306 USER MOD Single : A 46 ASN : amide:sc= -2.85! C(o=-2.9!,f=-5.7!) USER MOD Single : A 51 SER OG : rot -160:sc= -0.0543 USER MOD Single : A 53 SER OG : rot -150:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 173:sc= 1.57 (180deg=1.47) USER MOD Single : A 58 THR OG1 : rot -37:sc= 1.06 USER MOD Single : A 59 THR OG1 : rot -19:sc= 0.718 USER MOD Single : A 60 GLN : amide:sc= 0.344 X(o=0.34,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 171:sc= 0.563 (180deg=0.511) USER MOD Single : A 66 HIS : no HD1:sc= -1.13 K(o=-1.1,f=-2.9) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0.017 K(o=0.017,f=-3.5) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot -35:sc= 0.00498 USER MOD Single : A 93 GLN : amide:sc= -0.497 X(o=-0.5,f=-0.9) USER MOD Single : A 95 TYR OH : rot 130:sc= -2.14! USER MOD Single : A 96 SER OG : rot 42:sc= 1.22 USER MOD Single : A 97 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00532) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 171 N LYS A 13 -8.796 -1.144 -7.332 1.00 0.00 N ATOM 172 CA LYS A 13 -7.646 -2.004 -7.293 1.00 0.00 C ATOM 173 C LYS A 13 -6.336 -1.256 -7.469 1.00 0.00 C ATOM 174 O LYS A 13 -5.404 -1.546 -6.730 1.00 0.00 O ATOM 175 CB LYS A 13 -7.875 -3.104 -8.325 1.00 0.00 C ATOM 176 CG LYS A 13 -9.166 -3.887 -8.025 1.00 0.00 C ATOM 177 CD LYS A 13 -9.022 -4.851 -6.840 1.00 0.00 C ATOM 178 CE LYS A 13 -10.295 -5.656 -6.594 1.00 0.00 C ATOM 179 NZ LYS A 13 -10.229 -6.494 -5.403 1.00 0.00 N ATOM 0 HA LYS A 13 -7.540 -2.451 -6.304 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.935 -2.665 -9.321 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.025 -3.786 -8.328 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.971 -3.183 -7.817 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.457 -4.451 -8.911 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.193 -5.534 -7.028 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.772 -4.286 -5.942 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.137 -4.970 -6.501 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.491 -6.286 -7.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.186 -6.812 -5.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.629 -7.322 -5.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.825 -5.947 -4.616 1.00 0.00 H new ATOM 193 N TRP A 14 -6.266 -0.297 -8.431 1.00 0.00 N ATOM 194 CA TRP A 14 -4.956 0.365 -8.534 1.00 0.00 C ATOM 195 C TRP A 14 -4.772 1.359 -7.388 1.00 0.00 C ATOM 196 O TRP A 14 -3.680 1.479 -6.852 1.00 0.00 O ATOM 197 CB TRP A 14 -4.503 0.882 -9.921 1.00 0.00 C ATOM 198 CG TRP A 14 -4.829 2.298 -10.383 1.00 0.00 C ATOM 199 CD1 TRP A 14 -5.599 2.581 -11.517 1.00 0.00 C ATOM 200 CD2 TRP A 14 -4.286 3.576 -9.944 1.00 0.00 C ATOM 201 NE1 TRP A 14 -5.540 3.905 -11.792 1.00 0.00 N ATOM 202 CE2 TRP A 14 -4.748 4.554 -10.859 1.00 0.00 C ATOM 203 CE3 TRP A 14 -3.472 3.977 -8.912 1.00 0.00 C ATOM 204 CZ2 TRP A 14 -4.384 5.866 -10.711 1.00 0.00 C ATOM 205 CZ3 TRP A 14 -3.117 5.322 -8.756 1.00 0.00 C ATOM 206 CH2 TRP A 14 -3.576 6.273 -9.663 1.00 0.00 C ATOM 0 H TRP A 14 -7.004 0.002 -9.069 1.00 0.00 H new ATOM 0 HA TRP A 14 -4.234 -0.444 -8.419 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -3.419 0.776 -9.961 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -4.917 0.202 -10.665 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -6.156 1.852 -12.087 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -6.011 4.360 -12.574 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -3.101 3.244 -8.211 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -4.734 6.597 -11.425 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -2.487 5.622 -7.932 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -3.306 7.313 -9.551 1.00 0.00 H new ATOM 217 N PHE A 15 -5.898 2.017 -7.022 1.00 0.00 N ATOM 218 CA PHE A 15 -5.842 3.011 -5.962 1.00 0.00 C ATOM 219 C PHE A 15 -6.770 2.683 -4.783 1.00 0.00 C ATOM 220 O PHE A 15 -7.865 3.216 -4.645 1.00 0.00 O ATOM 221 CB PHE A 15 -6.148 4.396 -6.549 1.00 0.00 C ATOM 222 CG PHE A 15 -5.722 5.483 -5.604 1.00 0.00 C ATOM 223 CD1 PHE A 15 -4.375 5.640 -5.290 1.00 0.00 C ATOM 224 CD2 PHE A 15 -6.662 6.324 -5.019 1.00 0.00 C ATOM 225 CE1 PHE A 15 -3.978 6.619 -4.390 1.00 0.00 C ATOM 226 CE2 PHE A 15 -6.263 7.308 -4.124 1.00 0.00 C ATOM 227 CZ PHE A 15 -4.920 7.455 -3.808 1.00 0.00 C ATOM 0 H PHE A 15 -6.819 1.874 -7.437 1.00 0.00 H new ATOM 0 HA PHE A 15 -4.833 3.005 -5.550 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -5.632 4.514 -7.502 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.216 4.482 -6.752 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -3.637 4.998 -5.748 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -7.708 6.211 -5.262 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -2.933 6.730 -4.142 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -6.998 7.959 -3.674 1.00 0.00 H new ATOM 0 HZ PHE A 15 -4.609 8.219 -3.111 1.00 0.00 H new ATOM 237 N PHE A 16 -6.231 1.778 -3.937 1.00 0.00 N ATOM 238 CA PHE A 16 -6.899 1.371 -2.702 1.00 0.00 C ATOM 239 C PHE A 16 -6.351 2.280 -1.602 1.00 0.00 C ATOM 240 O PHE A 16 -5.324 2.925 -1.777 1.00 0.00 O ATOM 241 CB PHE A 16 -6.508 -0.081 -2.304 1.00 0.00 C ATOM 242 CG PHE A 16 -7.431 -1.182 -2.762 1.00 0.00 C ATOM 243 CD1 PHE A 16 -8.782 -0.980 -3.048 1.00 0.00 C ATOM 244 CD2 PHE A 16 -6.914 -2.469 -2.862 1.00 0.00 C ATOM 245 CE1 PHE A 16 -9.594 -2.040 -3.422 1.00 0.00 C ATOM 246 CE2 PHE A 16 -7.723 -3.530 -3.238 1.00 0.00 C ATOM 247 CZ PHE A 16 -9.065 -3.317 -3.513 1.00 0.00 C ATOM 0 H PHE A 16 -5.333 1.320 -4.096 1.00 0.00 H new ATOM 0 HA PHE A 16 -7.979 1.432 -2.834 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -5.513 -0.285 -2.699 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -6.436 -0.128 -1.217 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -9.200 0.013 -2.977 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -5.871 -2.644 -2.644 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -10.638 -1.870 -3.642 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -7.307 -4.524 -3.317 1.00 0.00 H new ATOM 0 HZ PHE A 16 -9.697 -4.145 -3.798 1.00 0.00 H new ATOM 257 N ARG A 17 -7.097 2.296 -0.470 1.00 0.00 N ATOM 258 CA ARG A 17 -6.624 3.070 0.678 1.00 0.00 C ATOM 259 C ARG A 17 -5.313 2.475 1.181 1.00 0.00 C ATOM 260 O ARG A 17 -4.246 2.957 0.857 1.00 0.00 O ATOM 261 CB ARG A 17 -7.632 3.113 1.843 1.00 0.00 C ATOM 262 CG ARG A 17 -8.608 4.280 1.782 1.00 0.00 C ATOM 263 CD ARG A 17 -7.884 5.616 1.997 1.00 0.00 C ATOM 264 NE ARG A 17 -8.855 6.678 2.225 1.00 0.00 N ATOM 265 CZ ARG A 17 -8.498 7.878 2.729 1.00 0.00 C ATOM 266 NH1 ARG A 17 -7.236 8.146 3.042 1.00 0.00 N ATOM 267 NH2 ARG A 17 -9.428 8.805 2.915 1.00 0.00 N ATOM 0 H ARG A 17 -7.982 1.806 -0.339 1.00 0.00 H new ATOM 0 HA ARG A 17 -6.489 4.095 0.332 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.198 2.181 1.854 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.082 3.163 2.783 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.112 4.287 0.815 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -9.379 4.154 2.542 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -7.209 5.540 2.849 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.272 5.852 1.126 1.00 0.00 H new ATOM 0 HE ARG A 17 -9.835 6.509 1.997 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.515 7.438 2.903 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -6.988 9.060 3.422 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -10.400 8.607 2.678 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -9.171 9.716 3.295 1.00 0.00 H new ATOM 281 N THR A 18 -5.479 1.406 1.972 1.00 0.00 N ATOM 282 CA THR A 18 -4.391 0.675 2.580 1.00 0.00 C ATOM 283 C THR A 18 -4.905 -0.696 2.985 1.00 0.00 C ATOM 284 O THR A 18 -5.398 -0.913 4.086 1.00 0.00 O ATOM 285 CB THR A 18 -3.834 1.301 3.905 1.00 0.00 C ATOM 286 OG1 THR A 18 -3.271 0.377 4.901 1.00 0.00 O ATOM 287 CG2 THR A 18 -4.849 2.315 4.518 1.00 0.00 C ATOM 0 H THR A 18 -6.398 1.028 2.203 1.00 0.00 H new ATOM 0 HA THR A 18 -3.596 0.672 1.834 1.00 0.00 H new ATOM 0 HB THR A 18 -2.943 1.841 3.583 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.963 -0.255 5.189 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.436 2.733 5.436 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.036 3.118 3.805 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.785 1.803 4.742 1.00 0.00 H new ATOM 295 N ILE A 19 -4.773 -1.606 2.013 1.00 0.00 N ATOM 296 CA ILE A 19 -5.118 -2.987 2.294 1.00 0.00 C ATOM 297 C ILE A 19 -3.844 -3.527 2.955 1.00 0.00 C ATOM 298 O ILE A 19 -2.812 -2.866 2.905 1.00 0.00 O ATOM 299 CB ILE A 19 -5.412 -3.669 0.956 1.00 0.00 C ATOM 300 CG1 ILE A 19 -6.247 -4.935 1.085 1.00 0.00 C ATOM 301 CG2 ILE A 19 -4.166 -3.883 0.111 1.00 0.00 C ATOM 302 CD1 ILE A 19 -6.431 -5.634 -0.274 1.00 0.00 C ATOM 0 H ILE A 19 -4.444 -1.416 1.067 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.991 -3.140 2.928 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.036 -2.959 0.413 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.766 -5.619 1.784 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -7.223 -4.687 1.502 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.440 -4.370 -0.825 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.702 -2.920 -0.104 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.461 -4.512 0.655 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.032 -6.534 -0.142 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.935 -4.959 -0.965 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.456 -5.905 -0.679 1.00 0.00 H new ATOM 314 N SER A 20 -3.913 -4.718 3.570 1.00 0.00 N ATOM 315 CA SER A 20 -2.654 -5.174 4.166 1.00 0.00 C ATOM 316 C SER A 20 -1.676 -5.515 3.030 1.00 0.00 C ATOM 317 O SER A 20 -2.057 -5.821 1.908 1.00 0.00 O ATOM 318 CB SER A 20 -2.840 -6.430 5.061 1.00 0.00 C ATOM 319 OG SER A 20 -1.678 -7.158 5.643 1.00 0.00 O ATOM 0 H SER A 20 -4.729 -5.323 3.663 1.00 0.00 H new ATOM 0 HA SER A 20 -2.273 -4.373 4.800 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.475 -6.132 5.895 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.404 -7.155 4.474 1.00 0.00 H new ATOM 0 HG SER A 20 -1.977 -7.695 6.406 1.00 0.00 H new ATOM 325 N ARG A 21 -0.394 -5.438 3.411 1.00 0.00 N ATOM 326 CA ARG A 21 0.708 -5.719 2.503 1.00 0.00 C ATOM 327 C ARG A 21 0.480 -7.036 1.739 1.00 0.00 C ATOM 328 O ARG A 21 0.556 -7.067 0.520 1.00 0.00 O ATOM 329 CB ARG A 21 2.027 -5.718 3.299 1.00 0.00 C ATOM 330 CG ARG A 21 3.277 -5.623 2.414 1.00 0.00 C ATOM 331 CD ARG A 21 4.554 -5.387 3.230 1.00 0.00 C ATOM 332 NE ARG A 21 4.510 -4.083 3.886 1.00 0.00 N ATOM 333 CZ ARG A 21 5.542 -3.595 4.607 1.00 0.00 C ATOM 334 NH1 ARG A 21 6.678 -4.272 4.728 1.00 0.00 N ATOM 335 NH2 ARG A 21 5.419 -2.423 5.217 1.00 0.00 N ATOM 0 H ARG A 21 -0.101 -5.180 4.353 1.00 0.00 H new ATOM 0 HA ARG A 21 0.766 -4.939 1.744 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.021 -4.880 3.996 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.083 -6.628 3.896 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.382 -6.542 1.838 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.151 -4.811 1.698 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.665 -6.173 3.977 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.425 -5.443 2.577 1.00 0.00 H new ATOM 0 HE ARG A 21 3.666 -3.518 3.796 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.783 -5.178 4.272 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.446 -3.886 5.277 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.549 -1.897 5.140 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.195 -2.049 5.763 1.00 0.00 H new ATOM 349 N LYS A 22 0.150 -8.093 2.517 1.00 0.00 N ATOM 350 CA LYS A 22 -0.080 -9.391 1.886 1.00 0.00 C ATOM 351 C LYS A 22 -1.423 -9.525 1.163 1.00 0.00 C ATOM 352 O LYS A 22 -1.620 -10.440 0.376 1.00 0.00 O ATOM 353 CB LYS A 22 0.034 -10.558 2.883 1.00 0.00 C ATOM 354 CG LYS A 22 -0.924 -10.668 4.087 1.00 0.00 C ATOM 355 CD LYS A 22 -2.257 -9.962 4.017 1.00 0.00 C ATOM 356 CE LYS A 22 -3.039 -9.977 5.334 1.00 0.00 C ATOM 357 NZ LYS A 22 -3.934 -11.123 5.438 1.00 0.00 N ATOM 0 H LYS A 22 0.044 -8.069 3.531 1.00 0.00 H new ATOM 0 HA LYS A 22 0.713 -9.443 1.140 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.066 -11.479 2.309 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.048 -10.540 3.282 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.119 -11.727 4.259 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.397 -10.294 4.965 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.093 -8.928 3.715 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.863 -10.429 3.241 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.338 -9.990 6.169 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.619 -9.058 5.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.389 -11.124 6.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.663 -11.063 4.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.390 -12.001 5.317 1.00 0.00 H new ATOM 371 N ASP A 23 -2.335 -8.584 1.478 1.00 0.00 N ATOM 372 CA ASP A 23 -3.668 -8.670 0.924 1.00 0.00 C ATOM 373 C ASP A 23 -3.668 -8.220 -0.536 1.00 0.00 C ATOM 374 O ASP A 23 -4.280 -8.803 -1.415 1.00 0.00 O ATOM 375 CB ASP A 23 -4.681 -7.813 1.704 1.00 0.00 C ATOM 376 CG ASP A 23 -5.244 -8.469 2.983 1.00 0.00 C ATOM 377 OD1 ASP A 23 -5.240 -9.697 3.095 1.00 0.00 O ATOM 378 OD2 ASP A 23 -5.711 -7.739 3.852 1.00 0.00 O ATOM 0 H ASP A 23 -2.167 -7.788 2.093 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.970 -9.715 0.999 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.204 -6.872 1.977 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.513 -7.569 1.043 1.00 0.00 H new ATOM 383 N ALA A 24 -2.929 -7.126 -0.718 1.00 0.00 N ATOM 384 CA ALA A 24 -2.754 -6.526 -2.035 1.00 0.00 C ATOM 385 C ALA A 24 -2.085 -7.531 -2.983 1.00 0.00 C ATOM 386 O ALA A 24 -2.414 -7.658 -4.155 1.00 0.00 O ATOM 387 CB ALA A 24 -1.874 -5.294 -1.849 1.00 0.00 C ATOM 0 H ALA A 24 -2.442 -6.638 0.034 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.713 -6.248 -2.473 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.716 -4.811 -2.813 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.364 -4.596 -1.170 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.913 -5.593 -1.431 1.00 0.00 H new ATOM 393 N GLU A 25 -1.150 -8.252 -2.341 1.00 0.00 N ATOM 394 CA GLU A 25 -0.373 -9.277 -2.994 1.00 0.00 C ATOM 395 C GLU A 25 -1.257 -10.515 -3.246 1.00 0.00 C ATOM 396 O GLU A 25 -1.041 -11.235 -4.207 1.00 0.00 O ATOM 397 CB GLU A 25 0.853 -9.604 -2.120 1.00 0.00 C ATOM 398 CG GLU A 25 1.845 -8.424 -2.016 1.00 0.00 C ATOM 399 CD GLU A 25 3.048 -8.745 -1.106 1.00 0.00 C ATOM 400 OE1 GLU A 25 2.934 -8.591 0.109 1.00 0.00 O ATOM 401 OE2 GLU A 25 4.094 -9.135 -1.622 1.00 0.00 O ATOM 0 H GLU A 25 -0.924 -8.128 -1.354 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.015 -8.932 -3.964 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.518 -9.880 -1.120 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.368 -10.471 -2.534 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.205 -8.167 -3.012 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.324 -7.548 -1.629 1.00 0.00 H new ATOM 408 N ARG A 26 -2.290 -10.710 -2.381 1.00 0.00 N ATOM 409 CA ARG A 26 -3.167 -11.877 -2.538 1.00 0.00 C ATOM 410 C ARG A 26 -3.970 -11.754 -3.845 1.00 0.00 C ATOM 411 O ARG A 26 -4.241 -12.723 -4.544 1.00 0.00 O ATOM 412 CB ARG A 26 -4.148 -12.048 -1.341 1.00 0.00 C ATOM 413 CG ARG A 26 -5.547 -11.370 -1.411 1.00 0.00 C ATOM 414 CD ARG A 26 -6.143 -10.892 -0.079 1.00 0.00 C ATOM 415 NE ARG A 26 -7.595 -10.846 -0.212 1.00 0.00 N ATOM 416 CZ ARG A 26 -8.411 -10.494 0.803 1.00 0.00 C ATOM 417 NH1 ARG A 26 -7.929 -10.164 1.994 1.00 0.00 N ATOM 418 NH2 ARG A 26 -9.723 -10.477 0.613 1.00 0.00 N ATOM 0 H ARG A 26 -2.521 -10.095 -1.601 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.528 -12.759 -2.568 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.307 -13.116 -1.195 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.646 -11.676 -0.448 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.478 -10.513 -2.081 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -6.245 -12.074 -1.864 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.858 -11.567 0.728 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.755 -9.906 0.178 1.00 0.00 H new ATOM 0 HE ARG A 26 -8.011 -11.090 -1.111 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -6.922 -10.173 2.157 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -8.565 -9.901 2.747 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -10.110 -10.729 -0.296 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -10.345 -10.212 1.376 1.00 0.00 H new ATOM 432 N GLN A 27 -4.307 -10.469 -4.104 1.00 0.00 N ATOM 433 CA GLN A 27 -5.106 -10.120 -5.272 1.00 0.00 C ATOM 434 C GLN A 27 -4.326 -10.284 -6.578 1.00 0.00 C ATOM 435 O GLN A 27 -4.855 -10.765 -7.575 1.00 0.00 O ATOM 436 CB GLN A 27 -5.660 -8.692 -5.137 1.00 0.00 C ATOM 437 CG GLN A 27 -6.572 -8.528 -3.910 1.00 0.00 C ATOM 438 CD GLN A 27 -7.403 -7.237 -3.964 1.00 0.00 C ATOM 439 OE1 GLN A 27 -7.328 -6.448 -4.894 1.00 0.00 O ATOM 440 NE2 GLN A 27 -8.220 -7.088 -2.908 1.00 0.00 N ATOM 0 H GLN A 27 -4.036 -9.677 -3.521 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.942 -10.818 -5.315 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.830 -7.989 -5.065 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -6.218 -8.436 -6.037 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.242 -9.385 -3.842 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.963 -8.527 -3.006 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.229 -7.789 -2.167 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -8.831 -6.274 -2.847 1.00 0.00 H new ATOM 449 N LEU A 28 -3.037 -9.884 -6.520 1.00 0.00 N ATOM 450 CA LEU A 28 -2.226 -9.985 -7.726 1.00 0.00 C ATOM 451 C LEU A 28 -1.881 -11.443 -8.046 1.00 0.00 C ATOM 452 O LEU A 28 -2.061 -11.875 -9.173 1.00 0.00 O ATOM 453 CB LEU A 28 -1.021 -9.049 -7.641 1.00 0.00 C ATOM 454 CG LEU A 28 -1.505 -7.615 -7.441 1.00 0.00 C ATOM 455 CD1 LEU A 28 -0.319 -6.725 -7.107 1.00 0.00 C ATOM 456 CD2 LEU A 28 -2.254 -7.132 -8.686 1.00 0.00 C ATOM 0 H LEU A 28 -2.567 -9.510 -5.696 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.806 -9.642 -8.583 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.375 -9.345 -6.815 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.427 -9.120 -8.552 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.205 -7.571 -6.607 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.662 -5.700 -6.964 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.156 -7.080 -6.192 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.401 -6.756 -7.925 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.594 -6.108 -8.531 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.588 -7.167 -9.548 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.114 -7.777 -8.866 1.00 0.00 H new ATOM 468 N LEU A 29 -1.447 -12.178 -6.993 1.00 0.00 N ATOM 469 CA LEU A 29 -1.067 -13.588 -7.082 1.00 0.00 C ATOM 470 C LEU A 29 -2.230 -14.485 -7.564 1.00 0.00 C ATOM 471 O LEU A 29 -2.025 -15.646 -7.893 1.00 0.00 O ATOM 472 CB LEU A 29 -0.582 -14.058 -5.708 1.00 0.00 C ATOM 473 CG LEU A 29 0.725 -13.382 -5.268 1.00 0.00 C ATOM 474 CD1 LEU A 29 0.910 -13.541 -3.760 1.00 0.00 C ATOM 475 CD2 LEU A 29 1.935 -13.942 -6.033 1.00 0.00 C ATOM 0 H LEU A 29 -1.354 -11.794 -6.053 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.271 -13.676 -7.822 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.356 -13.856 -4.967 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.436 -15.138 -5.730 1.00 0.00 H new ATOM 0 HG LEU A 29 0.658 -12.320 -5.505 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.839 -13.059 -3.455 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.072 -13.077 -3.240 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.951 -14.601 -3.508 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.842 -13.441 -5.696 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.021 -15.012 -5.845 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.801 -13.771 -7.101 1.00 0.00 H new ATOM 487 N ALA A 30 -3.451 -13.906 -7.583 1.00 0.00 N ATOM 488 CA ALA A 30 -4.620 -14.638 -8.051 1.00 0.00 C ATOM 489 C ALA A 30 -4.438 -14.994 -9.547 1.00 0.00 C ATOM 490 O ALA A 30 -3.853 -14.231 -10.310 1.00 0.00 O ATOM 491 CB ALA A 30 -5.865 -13.756 -7.891 1.00 0.00 C ATOM 0 H ALA A 30 -3.638 -12.949 -7.283 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.737 -15.552 -7.468 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.743 -14.299 -8.240 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.993 -13.495 -6.841 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.744 -12.846 -8.479 1.00 0.00 H new ATOM 497 N PRO A 31 -4.976 -16.188 -9.935 1.00 0.00 N ATOM 498 CA PRO A 31 -4.895 -16.679 -11.312 1.00 0.00 C ATOM 499 C PRO A 31 -5.751 -15.890 -12.327 1.00 0.00 C ATOM 500 O PRO A 31 -5.738 -16.160 -13.522 1.00 0.00 O ATOM 501 CB PRO A 31 -5.379 -18.133 -11.216 1.00 0.00 C ATOM 502 CG PRO A 31 -6.253 -18.161 -9.965 1.00 0.00 C ATOM 503 CD PRO A 31 -5.640 -17.126 -9.037 1.00 0.00 C ATOM 0 HA PRO A 31 -3.879 -16.568 -11.692 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.944 -18.423 -12.102 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.542 -18.826 -11.131 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -7.289 -17.916 -10.201 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -6.256 -19.150 -9.507 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -6.402 -16.630 -8.435 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.933 -17.582 -8.344 1.00 0.00 H new ATOM 511 N MET A 32 -6.484 -14.903 -11.773 1.00 0.00 N ATOM 512 CA MET A 32 -7.345 -14.023 -12.531 1.00 0.00 C ATOM 513 C MET A 32 -6.531 -12.988 -13.331 1.00 0.00 C ATOM 514 O MET A 32 -6.884 -12.599 -14.438 1.00 0.00 O ATOM 515 CB MET A 32 -8.195 -13.294 -11.486 1.00 0.00 C ATOM 516 CG MET A 32 -9.374 -14.116 -10.961 1.00 0.00 C ATOM 517 SD MET A 32 -8.870 -15.371 -9.770 1.00 0.00 S ATOM 518 CE MET A 32 -9.407 -14.540 -8.263 1.00 0.00 C ATOM 0 H MET A 32 -6.482 -14.706 -10.772 1.00 0.00 H new ATOM 0 HA MET A 32 -7.940 -14.587 -13.250 1.00 0.00 H new ATOM 0 HB2 MET A 32 -7.559 -13.013 -10.647 1.00 0.00 H new ATOM 0 HB3 MET A 32 -8.575 -12.370 -11.922 1.00 0.00 H new ATOM 0 HG2 MET A 32 -10.098 -13.448 -10.495 1.00 0.00 H new ATOM 0 HG3 MET A 32 -9.878 -14.598 -11.799 1.00 0.00 H new ATOM 0 HE1 MET A 32 -9.100 -15.125 -7.396 1.00 0.00 H new ATOM 0 HE2 MET A 32 -8.954 -13.550 -8.212 1.00 0.00 H new ATOM 0 HE3 MET A 32 -10.493 -14.442 -8.269 1.00 0.00 H new ATOM 528 N ASN A 33 -5.422 -12.591 -12.665 1.00 0.00 N ATOM 529 CA ASN A 33 -4.501 -11.576 -13.177 1.00 0.00 C ATOM 530 C ASN A 33 -3.099 -12.140 -13.463 1.00 0.00 C ATOM 531 O ASN A 33 -2.798 -13.307 -13.251 1.00 0.00 O ATOM 532 CB ASN A 33 -4.394 -10.449 -12.134 1.00 0.00 C ATOM 533 CG ASN A 33 -5.782 -10.032 -11.643 1.00 0.00 C ATOM 534 OD1 ASN A 33 -6.606 -9.551 -12.408 1.00 0.00 O ATOM 535 ND2 ASN A 33 -5.992 -10.239 -10.334 1.00 0.00 N ATOM 0 H ASN A 33 -5.150 -12.971 -11.759 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.896 -11.207 -14.123 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -3.790 -10.784 -11.291 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -3.884 -9.590 -12.570 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -6.888 -9.990 -9.916 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -5.255 -10.646 -9.757 1.00 0.00 H new ATOM 542 N LYS A 34 -2.269 -11.198 -13.960 1.00 0.00 N ATOM 543 CA LYS A 34 -0.882 -11.483 -14.299 1.00 0.00 C ATOM 544 C LYS A 34 -0.078 -10.176 -14.392 1.00 0.00 C ATOM 545 O LYS A 34 -0.641 -9.094 -14.484 1.00 0.00 O ATOM 546 CB LYS A 34 -0.771 -12.314 -15.587 1.00 0.00 C ATOM 547 CG LYS A 34 -1.737 -11.922 -16.714 1.00 0.00 C ATOM 548 CD LYS A 34 -1.719 -10.440 -17.106 1.00 0.00 C ATOM 549 CE LYS A 34 -2.494 -10.189 -18.403 1.00 0.00 C ATOM 550 NZ LYS A 34 -2.368 -8.818 -18.877 1.00 0.00 N ATOM 0 H LYS A 34 -2.549 -10.232 -14.132 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.453 -12.089 -13.501 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.249 -12.234 -15.963 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.938 -13.362 -15.338 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.501 -12.517 -17.596 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.750 -12.189 -16.411 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.152 -9.845 -16.302 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.688 -10.108 -17.228 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.134 -10.870 -19.174 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.547 -10.418 -18.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.128 -8.615 -19.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.441 -8.164 -18.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.445 -8.694 -19.341 1.00 0.00 H new ATOM 564 N ALA A 35 1.265 -10.359 -14.361 1.00 0.00 N ATOM 565 CA ALA A 35 2.296 -9.319 -14.429 1.00 0.00 C ATOM 566 C ALA A 35 1.816 -8.052 -15.158 1.00 0.00 C ATOM 567 O ALA A 35 1.562 -8.049 -16.357 1.00 0.00 O ATOM 568 CB ALA A 35 3.546 -9.877 -15.118 1.00 0.00 C ATOM 0 H ALA A 35 1.670 -11.292 -14.283 1.00 0.00 H new ATOM 0 HA ALA A 35 2.529 -9.027 -13.405 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.311 -9.102 -15.167 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.926 -10.726 -14.550 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.291 -10.200 -16.127 1.00 0.00 H new ATOM 574 N GLY A 36 1.713 -6.989 -14.335 1.00 0.00 N ATOM 575 CA GLY A 36 1.254 -5.691 -14.790 1.00 0.00 C ATOM 576 C GLY A 36 0.013 -5.238 -14.019 1.00 0.00 C ATOM 577 O GLY A 36 -0.299 -4.059 -13.899 1.00 0.00 O ATOM 0 H GLY A 36 1.948 -7.021 -13.343 1.00 0.00 H new ATOM 0 HA2 GLY A 36 2.050 -4.957 -14.665 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.027 -5.736 -15.855 1.00 0.00 H new ATOM 581 N SER A 37 -0.676 -6.259 -13.488 1.00 0.00 N ATOM 582 CA SER A 37 -1.795 -6.031 -12.591 1.00 0.00 C ATOM 583 C SER A 37 -1.127 -5.535 -11.290 1.00 0.00 C ATOM 584 O SER A 37 -0.229 -6.191 -10.765 1.00 0.00 O ATOM 585 CB SER A 37 -2.517 -7.394 -12.374 1.00 0.00 C ATOM 586 OG SER A 37 -1.683 -8.597 -12.122 1.00 0.00 O ATOM 0 H SER A 37 -0.472 -7.242 -13.669 1.00 0.00 H new ATOM 0 HA SER A 37 -2.536 -5.319 -12.956 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.199 -7.279 -11.532 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.128 -7.591 -13.255 1.00 0.00 H new ATOM 0 HG SER A 37 -1.479 -9.037 -12.973 1.00 0.00 H new ATOM 592 N PHE A 38 -1.570 -4.328 -10.849 1.00 0.00 N ATOM 593 CA PHE A 38 -0.989 -3.686 -9.662 1.00 0.00 C ATOM 594 C PHE A 38 -2.100 -3.318 -8.617 1.00 0.00 C ATOM 595 O PHE A 38 -3.297 -3.484 -8.821 1.00 0.00 O ATOM 596 CB PHE A 38 -0.318 -2.338 -10.085 1.00 0.00 C ATOM 597 CG PHE A 38 1.013 -2.309 -10.810 1.00 0.00 C ATOM 598 CD1 PHE A 38 1.473 -3.308 -11.649 1.00 0.00 C ATOM 599 CD2 PHE A 38 1.834 -1.195 -10.644 1.00 0.00 C ATOM 600 CE1 PHE A 38 2.693 -3.173 -12.303 1.00 0.00 C ATOM 601 CE2 PHE A 38 3.081 -1.081 -11.246 1.00 0.00 C ATOM 602 CZ PHE A 38 3.510 -2.076 -12.100 1.00 0.00 C ATOM 0 H PHE A 38 -2.316 -3.795 -11.296 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.275 -4.384 -9.225 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.034 -1.812 -10.716 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.198 -1.746 -9.178 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.881 -4.199 -11.797 1.00 0.00 H new ATOM 0 HD2 PHE A 38 1.486 -0.385 -10.020 1.00 0.00 H new ATOM 0 HE1 PHE A 38 3.011 -3.946 -12.988 1.00 0.00 H new ATOM 0 HE2 PHE A 38 3.707 -0.224 -11.048 1.00 0.00 H new ATOM 0 HZ PHE A 38 4.464 -2.000 -12.600 1.00 0.00 H new ATOM 612 N LEU A 39 -1.528 -2.781 -7.501 1.00 0.00 N ATOM 613 CA LEU A 39 -2.069 -2.258 -6.238 1.00 0.00 C ATOM 614 C LEU A 39 -1.188 -1.108 -5.747 1.00 0.00 C ATOM 615 O LEU A 39 -0.003 -1.354 -5.669 1.00 0.00 O ATOM 616 CB LEU A 39 -1.851 -3.312 -5.134 1.00 0.00 C ATOM 617 CG LEU A 39 -2.944 -4.326 -4.886 1.00 0.00 C ATOM 618 CD1 LEU A 39 -3.862 -3.648 -3.883 1.00 0.00 C ATOM 619 CD2 LEU A 39 -3.720 -4.835 -6.075 1.00 0.00 C ATOM 0 H LEU A 39 -0.511 -2.699 -7.480 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.110 -1.982 -6.409 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.938 -3.858 -5.371 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.671 -2.782 -4.199 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.476 -5.248 -4.540 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.691 -4.313 -3.641 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.303 -3.419 -2.975 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.251 -2.725 -4.312 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.468 -5.554 -5.741 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.216 -4.000 -6.571 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.038 -5.319 -6.774 1.00 0.00 H new ATOM 631 N ILE A 40 -1.733 0.085 -5.352 1.00 0.00 N ATOM 632 CA ILE A 40 -0.802 1.131 -4.862 1.00 0.00 C ATOM 633 C ILE A 40 -1.350 1.468 -3.424 1.00 0.00 C ATOM 634 O ILE A 40 -1.834 2.546 -3.121 1.00 0.00 O ATOM 635 CB ILE A 40 -0.757 2.290 -5.918 1.00 0.00 C ATOM 636 CG1 ILE A 40 0.593 3.020 -6.024 1.00 0.00 C ATOM 637 CG2 ILE A 40 -1.711 3.423 -5.588 1.00 0.00 C ATOM 638 CD1 ILE A 40 0.820 3.539 -7.462 1.00 0.00 C ATOM 0 H ILE A 40 -2.724 0.327 -5.362 1.00 0.00 H new ATOM 0 HA ILE A 40 0.248 0.856 -4.761 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.002 1.752 -6.834 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.617 3.854 -5.323 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.401 2.344 -5.744 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.636 4.196 -6.353 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.732 3.042 -5.556 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.451 3.847 -4.618 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.780 4.052 -7.516 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.818 2.699 -8.157 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.022 4.232 -7.729 1.00 0.00 H new ATOM 650 N ARG A 41 -1.276 0.443 -2.550 1.00 0.00 N ATOM 651 CA ARG A 41 -1.793 0.549 -1.187 1.00 0.00 C ATOM 652 C ARG A 41 -0.921 1.497 -0.319 1.00 0.00 C ATOM 653 O ARG A 41 0.296 1.368 -0.259 1.00 0.00 O ATOM 654 CB ARG A 41 -1.960 -0.879 -0.646 1.00 0.00 C ATOM 655 CG ARG A 41 -0.693 -1.550 -0.093 1.00 0.00 C ATOM 656 CD ARG A 41 -0.590 -1.447 1.441 1.00 0.00 C ATOM 657 NE ARG A 41 0.660 -0.828 1.866 1.00 0.00 N ATOM 658 CZ ARG A 41 1.873 -1.389 1.689 1.00 0.00 C ATOM 659 NH1 ARG A 41 2.016 -2.557 1.077 1.00 0.00 N ATOM 660 NH2 ARG A 41 2.953 -0.757 2.121 1.00 0.00 N ATOM 0 H ARG A 41 -0.862 -0.463 -2.772 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.773 1.025 -1.161 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.710 -0.860 0.145 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -2.357 -1.504 -1.446 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.686 -2.600 -0.384 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.185 -1.088 -0.544 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.430 -0.866 1.822 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.667 -2.443 1.877 1.00 0.00 H new ATOM 0 HE ARG A 41 0.614 0.082 2.324 1.00 0.00 H new ATOM 0 HH11 ARG A 41 1.196 -3.053 0.727 1.00 0.00 H new ATOM 0 HH12 ARG A 41 2.946 -2.959 0.956 1.00 0.00 H new ATOM 0 HH21 ARG A 41 2.864 0.148 2.584 1.00 0.00 H new ATOM 0 HH22 ARG A 41 3.874 -1.175 1.991 1.00 0.00 H new ATOM 674 N GLU A 42 -1.623 2.451 0.341 1.00 0.00 N ATOM 675 CA GLU A 42 -0.988 3.466 1.195 1.00 0.00 C ATOM 676 C GLU A 42 -0.256 2.862 2.395 1.00 0.00 C ATOM 677 O GLU A 42 -0.473 1.718 2.776 1.00 0.00 O ATOM 678 CB GLU A 42 -1.929 4.597 1.709 1.00 0.00 C ATOM 679 CG GLU A 42 -2.657 4.384 3.048 1.00 0.00 C ATOM 680 CD GLU A 42 -3.354 5.645 3.577 1.00 0.00 C ATOM 681 OE1 GLU A 42 -4.153 6.233 2.846 1.00 0.00 O ATOM 682 OE2 GLU A 42 -3.108 6.012 4.723 1.00 0.00 O ATOM 0 H GLU A 42 -2.639 2.532 0.292 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.274 3.926 0.512 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.338 5.509 1.792 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.685 4.775 0.944 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.398 3.593 2.927 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.939 4.037 3.791 1.00 0.00 H new ATOM 689 N SER A 43 0.637 3.718 2.948 1.00 0.00 N ATOM 690 CA SER A 43 1.325 3.338 4.177 1.00 0.00 C ATOM 691 C SER A 43 0.362 3.843 5.267 1.00 0.00 C ATOM 692 O SER A 43 -0.002 5.006 5.298 1.00 0.00 O ATOM 693 CB SER A 43 2.729 4.007 4.241 1.00 0.00 C ATOM 694 OG SER A 43 3.353 4.358 5.540 1.00 0.00 O ATOM 0 H SER A 43 0.882 4.634 2.573 1.00 0.00 H new ATOM 0 HA SER A 43 1.529 2.272 4.275 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.422 3.343 3.724 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.671 4.925 3.657 1.00 0.00 H new ATOM 0 HG SER A 43 2.953 3.816 6.252 1.00 0.00 H new ATOM 700 N GLU A 44 -0.070 2.924 6.132 1.00 0.00 N ATOM 701 CA GLU A 44 -1.042 3.270 7.175 1.00 0.00 C ATOM 702 C GLU A 44 -0.401 3.929 8.419 1.00 0.00 C ATOM 703 O GLU A 44 -0.862 3.800 9.545 1.00 0.00 O ATOM 704 CB GLU A 44 -1.819 1.996 7.520 1.00 0.00 C ATOM 705 CG GLU A 44 -1.009 0.683 7.447 1.00 0.00 C ATOM 706 CD GLU A 44 0.243 0.678 8.338 1.00 0.00 C ATOM 707 OE1 GLU A 44 0.111 0.478 9.544 1.00 0.00 O ATOM 708 OE2 GLU A 44 1.340 0.862 7.805 1.00 0.00 O ATOM 0 H GLU A 44 0.231 1.949 6.134 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.720 4.034 6.796 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.222 2.099 8.528 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.670 1.916 6.843 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.653 -0.147 7.736 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.709 0.509 6.414 1.00 0.00 H new ATOM 715 N SER A 45 0.674 4.664 8.114 1.00 0.00 N ATOM 716 CA SER A 45 1.532 5.380 9.030 1.00 0.00 C ATOM 717 C SER A 45 2.321 6.435 8.222 1.00 0.00 C ATOM 718 O SER A 45 3.433 6.820 8.560 1.00 0.00 O ATOM 719 CB SER A 45 2.486 4.235 9.452 1.00 0.00 C ATOM 720 OG SER A 45 2.836 3.258 8.377 1.00 0.00 O ATOM 0 H SER A 45 0.979 4.774 7.147 1.00 0.00 H new ATOM 0 HA SER A 45 1.036 5.894 9.853 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.408 4.676 9.832 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.028 3.691 10.278 1.00 0.00 H new ATOM 0 HG SER A 45 2.184 2.526 8.375 1.00 0.00 H new ATOM 726 N ASN A 46 1.650 6.862 7.130 1.00 0.00 N ATOM 727 CA ASN A 46 2.223 7.766 6.154 1.00 0.00 C ATOM 728 C ASN A 46 1.863 9.248 6.248 1.00 0.00 C ATOM 729 O ASN A 46 0.824 9.670 6.738 1.00 0.00 O ATOM 730 CB ASN A 46 1.702 7.325 4.775 1.00 0.00 C ATOM 731 CG ASN A 46 0.277 7.775 4.347 1.00 0.00 C ATOM 732 OD1 ASN A 46 0.061 8.200 3.225 1.00 0.00 O ATOM 733 ND2 ASN A 46 -0.668 7.683 5.292 1.00 0.00 N ATOM 0 H ASN A 46 0.694 6.579 6.916 1.00 0.00 H new ATOM 0 HA ASN A 46 3.296 7.700 6.332 1.00 0.00 H new ATOM 0 HB2 ASN A 46 2.404 7.686 4.023 1.00 0.00 H new ATOM 0 HB3 ASN A 46 1.731 6.236 4.741 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -1.623 7.976 5.088 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -0.432 7.320 6.215 1.00 0.00 H new ATOM 740 N LYS A 47 2.850 9.987 5.693 1.00 0.00 N ATOM 741 CA LYS A 47 2.766 11.416 5.465 1.00 0.00 C ATOM 742 C LYS A 47 2.439 11.729 3.980 1.00 0.00 C ATOM 743 O LYS A 47 2.896 12.708 3.407 1.00 0.00 O ATOM 744 CB LYS A 47 3.887 12.191 6.155 1.00 0.00 C ATOM 745 CG LYS A 47 5.265 11.576 5.969 1.00 0.00 C ATOM 746 CD LYS A 47 5.683 11.486 4.505 1.00 0.00 C ATOM 747 CE LYS A 47 5.896 12.859 3.839 1.00 0.00 C ATOM 748 NZ LYS A 47 6.028 12.822 2.387 1.00 0.00 N ATOM 0 H LYS A 47 3.737 9.583 5.391 1.00 0.00 H new ATOM 0 HA LYS A 47 1.900 11.829 5.983 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.900 13.211 5.771 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.669 12.254 7.221 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.999 12.169 6.515 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.273 10.577 6.406 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.606 10.910 4.434 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.921 10.937 3.951 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.057 13.506 4.097 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.792 13.316 4.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.032 13.793 2.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.918 12.349 2.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.228 12.297 1.979 1.00 0.00 H new ATOM 762 N GLY A 48 1.636 10.804 3.405 1.00 0.00 N ATOM 763 CA GLY A 48 1.207 10.836 2.008 1.00 0.00 C ATOM 764 C GLY A 48 1.900 9.746 1.164 1.00 0.00 C ATOM 765 O GLY A 48 1.902 9.786 -0.060 1.00 0.00 O ATOM 0 H GLY A 48 1.267 10.004 3.918 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.127 10.701 1.958 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.426 11.816 1.584 1.00 0.00 H new ATOM 769 N ALA A 49 2.497 8.781 1.901 1.00 0.00 N ATOM 770 CA ALA A 49 3.223 7.660 1.287 1.00 0.00 C ATOM 771 C ALA A 49 2.286 6.516 0.872 1.00 0.00 C ATOM 772 O ALA A 49 1.270 6.230 1.493 1.00 0.00 O ATOM 773 CB ALA A 49 4.319 7.116 2.216 1.00 0.00 C ATOM 0 H ALA A 49 2.487 8.762 2.921 1.00 0.00 H new ATOM 0 HA ALA A 49 3.690 8.062 0.388 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.833 6.289 1.727 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.035 7.908 2.437 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.868 6.765 3.144 1.00 0.00 H new ATOM 779 N PHE A 50 2.744 5.894 -0.235 1.00 0.00 N ATOM 780 CA PHE A 50 2.075 4.783 -0.887 1.00 0.00 C ATOM 781 C PHE A 50 3.118 3.699 -1.213 1.00 0.00 C ATOM 782 O PHE A 50 4.319 3.904 -1.071 1.00 0.00 O ATOM 783 CB PHE A 50 1.281 5.318 -2.107 1.00 0.00 C ATOM 784 CG PHE A 50 0.032 6.066 -1.712 1.00 0.00 C ATOM 785 CD1 PHE A 50 0.102 7.403 -1.342 1.00 0.00 C ATOM 786 CD2 PHE A 50 -1.210 5.449 -1.724 1.00 0.00 C ATOM 787 CE1 PHE A 50 -1.038 8.117 -1.007 1.00 0.00 C ATOM 788 CE2 PHE A 50 -2.361 6.155 -1.396 1.00 0.00 C ATOM 789 CZ PHE A 50 -2.277 7.494 -1.038 1.00 0.00 C ATOM 0 H PHE A 50 3.610 6.168 -0.699 1.00 0.00 H new ATOM 0 HA PHE A 50 1.338 4.305 -0.241 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.923 5.977 -2.692 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.009 4.482 -2.752 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.063 7.896 -1.315 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.284 4.405 -1.992 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.962 9.156 -0.722 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.322 5.662 -1.420 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.170 8.046 -0.785 1.00 0.00 H new ATOM 799 N SER A 51 2.591 2.532 -1.654 1.00 0.00 N ATOM 800 CA SER A 51 3.464 1.407 -1.989 1.00 0.00 C ATOM 801 C SER A 51 2.731 0.486 -2.973 1.00 0.00 C ATOM 802 O SER A 51 1.579 0.124 -2.783 1.00 0.00 O ATOM 803 CB SER A 51 3.861 0.690 -0.669 1.00 0.00 C ATOM 804 OG SER A 51 4.262 1.495 0.518 1.00 0.00 O ATOM 0 H SER A 51 1.594 2.357 -1.780 1.00 0.00 H new ATOM 0 HA SER A 51 4.381 1.735 -2.479 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.017 0.068 -0.370 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.687 0.017 -0.900 1.00 0.00 H new ATOM 0 HG SER A 51 4.772 0.932 1.138 1.00 0.00 H new ATOM 810 N LEU A 52 3.500 0.136 -4.022 1.00 0.00 N ATOM 811 CA LEU A 52 2.999 -0.633 -5.154 1.00 0.00 C ATOM 812 C LEU A 52 3.488 -2.097 -5.185 1.00 0.00 C ATOM 813 O LEU A 52 4.669 -2.396 -5.064 1.00 0.00 O ATOM 814 CB LEU A 52 3.541 0.208 -6.342 1.00 0.00 C ATOM 815 CG LEU A 52 2.905 0.082 -7.730 1.00 0.00 C ATOM 816 CD1 LEU A 52 1.383 0.080 -7.638 1.00 0.00 C ATOM 817 CD2 LEU A 52 3.410 1.225 -8.642 1.00 0.00 C ATOM 0 H LEU A 52 4.486 0.384 -4.099 1.00 0.00 H new ATOM 0 HA LEU A 52 1.917 -0.763 -5.145 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.477 1.257 -6.051 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.600 -0.029 -6.449 1.00 0.00 H new ATOM 0 HG LEU A 52 3.203 -0.871 -8.168 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.958 -0.011 -8.638 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.057 -0.762 -7.027 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.045 1.011 -7.183 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.955 1.132 -9.628 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.137 2.186 -8.206 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.494 1.164 -8.735 1.00 0.00 H new ATOM 829 N SER A 53 2.469 -2.966 -5.375 1.00 0.00 N ATOM 830 CA SER A 53 2.570 -4.419 -5.477 1.00 0.00 C ATOM 831 C SER A 53 2.321 -4.769 -6.968 1.00 0.00 C ATOM 832 O SER A 53 1.387 -4.241 -7.557 1.00 0.00 O ATOM 833 CB SER A 53 1.510 -5.036 -4.499 1.00 0.00 C ATOM 834 OG SER A 53 1.147 -4.329 -3.241 1.00 0.00 O ATOM 0 H SER A 53 1.506 -2.643 -5.465 1.00 0.00 H new ATOM 0 HA SER A 53 3.541 -4.823 -5.190 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.590 -5.176 -5.067 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.867 -6.027 -4.220 1.00 0.00 H new ATOM 0 HG SER A 53 0.890 -4.985 -2.560 1.00 0.00 H new ATOM 840 N VAL A 54 3.192 -5.632 -7.558 1.00 0.00 N ATOM 841 CA VAL A 54 3.045 -6.031 -8.979 1.00 0.00 C ATOM 842 C VAL A 54 3.422 -7.504 -9.104 1.00 0.00 C ATOM 843 O VAL A 54 4.375 -7.909 -8.468 1.00 0.00 O ATOM 844 CB VAL A 54 4.012 -5.295 -9.918 1.00 0.00 C ATOM 845 CG1 VAL A 54 3.778 -5.699 -11.385 1.00 0.00 C ATOM 846 CG2 VAL A 54 4.008 -3.804 -9.610 1.00 0.00 C ATOM 0 H VAL A 54 3.987 -6.056 -7.080 1.00 0.00 H new ATOM 0 HA VAL A 54 2.016 -5.802 -9.258 1.00 0.00 H new ATOM 0 HB VAL A 54 5.040 -5.607 -9.735 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.477 -5.162 -12.026 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.934 -6.772 -11.496 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.757 -5.449 -11.673 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.697 -3.292 -10.282 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.003 -3.406 -9.749 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.321 -3.645 -8.578 1.00 0.00 H new ATOM 856 N LYS A 55 2.743 -8.277 -9.979 1.00 0.00 N ATOM 857 CA LYS A 55 3.132 -9.688 -10.013 1.00 0.00 C ATOM 858 C LYS A 55 4.419 -9.974 -10.824 1.00 0.00 C ATOM 859 O LYS A 55 4.373 -9.932 -12.049 1.00 0.00 O ATOM 860 CB LYS A 55 2.003 -10.488 -10.652 1.00 0.00 C ATOM 861 CG LYS A 55 2.270 -11.996 -10.613 1.00 0.00 C ATOM 862 CD LYS A 55 1.263 -12.788 -11.437 1.00 0.00 C ATOM 863 CE LYS A 55 -0.115 -12.760 -10.794 1.00 0.00 C ATOM 864 NZ LYS A 55 -0.999 -13.868 -11.142 1.00 0.00 N ATOM 0 H LYS A 55 1.997 -7.982 -10.610 1.00 0.00 H new ATOM 0 HA LYS A 55 3.329 -9.973 -8.980 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.069 -10.272 -10.134 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.875 -10.170 -11.687 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.275 -12.194 -10.986 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.240 -12.340 -9.579 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.206 -12.374 -12.444 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.601 -13.820 -11.536 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.010 -12.745 -9.711 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.606 -11.827 -11.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.862 -13.818 -10.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.253 -13.807 -12.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.513 -14.770 -10.962 1.00 0.00 H new ATOM 878 N ASP A 56 5.556 -10.285 -10.127 1.00 0.00 N ATOM 879 CA ASP A 56 6.725 -10.635 -10.958 1.00 0.00 C ATOM 880 C ASP A 56 6.675 -12.132 -11.302 1.00 0.00 C ATOM 881 O ASP A 56 6.684 -12.990 -10.431 1.00 0.00 O ATOM 882 CB ASP A 56 8.072 -10.232 -10.349 1.00 0.00 C ATOM 883 CG ASP A 56 9.254 -10.252 -11.342 1.00 0.00 C ATOM 884 OD1 ASP A 56 9.033 -10.099 -12.542 1.00 0.00 O ATOM 885 OD2 ASP A 56 10.391 -10.413 -10.894 1.00 0.00 O ATOM 0 H ASP A 56 5.676 -10.300 -9.114 1.00 0.00 H new ATOM 0 HA ASP A 56 6.657 -10.046 -11.873 1.00 0.00 H new ATOM 0 HB2 ASP A 56 7.982 -9.230 -9.931 1.00 0.00 H new ATOM 0 HB3 ASP A 56 8.298 -10.904 -9.521 1.00 0.00 H new ATOM 890 N ILE A 57 6.593 -12.374 -12.627 1.00 0.00 N ATOM 891 CA ILE A 57 6.548 -13.737 -13.150 1.00 0.00 C ATOM 892 C ILE A 57 7.888 -14.067 -13.826 1.00 0.00 C ATOM 893 O ILE A 57 8.195 -13.613 -14.920 1.00 0.00 O ATOM 894 CB ILE A 57 5.380 -13.919 -14.127 1.00 0.00 C ATOM 895 CG1 ILE A 57 4.051 -13.499 -13.474 1.00 0.00 C ATOM 896 CG2 ILE A 57 5.314 -15.379 -14.624 1.00 0.00 C ATOM 897 CD1 ILE A 57 2.860 -13.790 -14.376 1.00 0.00 C ATOM 0 H ILE A 57 6.557 -11.645 -13.340 1.00 0.00 H new ATOM 0 HA ILE A 57 6.385 -14.427 -12.322 1.00 0.00 H new ATOM 0 HB ILE A 57 5.549 -13.273 -14.989 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.928 -14.027 -12.528 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.080 -12.434 -13.243 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.479 -15.490 -15.316 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.244 -15.633 -15.133 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.172 -16.047 -13.774 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.942 -13.479 -13.878 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.969 -13.241 -15.311 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.815 -14.859 -14.586 1.00 0.00 H new ATOM 909 N THR A 58 8.638 -14.901 -13.084 1.00 0.00 N ATOM 910 CA THR A 58 9.953 -15.386 -13.503 1.00 0.00 C ATOM 911 C THR A 58 9.875 -16.825 -14.010 1.00 0.00 C ATOM 912 O THR A 58 10.894 -17.467 -14.226 1.00 0.00 O ATOM 913 CB THR A 58 10.900 -15.490 -12.269 1.00 0.00 C ATOM 914 OG1 THR A 58 12.232 -16.070 -12.466 1.00 0.00 O ATOM 915 CG2 THR A 58 10.158 -16.067 -11.030 1.00 0.00 C ATOM 0 H THR A 58 8.343 -15.255 -12.174 1.00 0.00 H new ATOM 0 HA THR A 58 10.304 -14.692 -14.267 1.00 0.00 H new ATOM 0 HB THR A 58 11.162 -14.449 -12.077 1.00 0.00 H new ATOM 0 HG1 THR A 58 12.177 -16.804 -13.113 1.00 0.00 H new ATOM 0 HG21 THR A 58 10.847 -16.126 -10.188 1.00 0.00 H new ATOM 0 HG22 THR A 58 9.323 -15.416 -10.770 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.783 -17.064 -11.262 1.00 0.00 H new ATOM 923 N THR A 59 8.619 -17.307 -14.115 1.00 0.00 N ATOM 924 CA THR A 59 8.240 -18.659 -14.514 1.00 0.00 C ATOM 925 C THR A 59 8.691 -19.728 -13.502 1.00 0.00 C ATOM 926 O THR A 59 8.287 -20.878 -13.629 1.00 0.00 O ATOM 927 CB THR A 59 8.559 -19.115 -15.977 1.00 0.00 C ATOM 928 OG1 THR A 59 8.146 -20.482 -16.326 1.00 0.00 O ATOM 929 CG2 THR A 59 10.013 -18.797 -16.434 1.00 0.00 C ATOM 0 H THR A 59 7.807 -16.725 -13.911 1.00 0.00 H new ATOM 0 HA THR A 59 7.153 -18.574 -14.508 1.00 0.00 H new ATOM 0 HB THR A 59 7.901 -18.479 -16.569 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.012 -21.002 -15.507 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.157 -19.143 -17.458 1.00 0.00 H new ATOM 0 HG22 THR A 59 10.182 -17.721 -16.388 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.720 -19.304 -15.777 1.00 0.00 H new ATOM 937 N GLN A 60 9.516 -19.331 -12.501 1.00 0.00 N ATOM 938 CA GLN A 60 9.977 -20.313 -11.507 1.00 0.00 C ATOM 939 C GLN A 60 9.518 -19.932 -10.082 1.00 0.00 C ATOM 940 O GLN A 60 10.072 -20.383 -9.087 1.00 0.00 O ATOM 941 CB GLN A 60 11.499 -20.472 -11.578 1.00 0.00 C ATOM 942 CG GLN A 60 11.998 -20.839 -12.987 1.00 0.00 C ATOM 943 CD GLN A 60 11.878 -22.348 -13.267 1.00 0.00 C ATOM 944 OE1 GLN A 60 12.793 -23.121 -13.012 1.00 0.00 O ATOM 945 NE2 GLN A 60 10.708 -22.720 -13.809 1.00 0.00 N ATOM 0 H GLN A 60 9.859 -18.380 -12.368 1.00 0.00 H new ATOM 0 HA GLN A 60 9.522 -21.275 -11.745 1.00 0.00 H new ATOM 0 HB2 GLN A 60 11.971 -19.542 -11.262 1.00 0.00 H new ATOM 0 HB3 GLN A 60 11.812 -21.244 -10.875 1.00 0.00 H new ATOM 0 HG2 GLN A 60 11.424 -20.286 -13.730 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.038 -20.532 -13.094 1.00 0.00 H new ATOM 0 HE21 GLN A 60 9.988 -22.022 -13.996 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.539 -23.700 -14.034 1.00 0.00 H new ATOM 954 N GLY A 61 8.476 -19.075 -10.057 1.00 0.00 N ATOM 955 CA GLY A 61 7.915 -18.595 -8.805 1.00 0.00 C ATOM 956 C GLY A 61 7.061 -17.351 -9.059 1.00 0.00 C ATOM 957 O GLY A 61 7.567 -16.280 -9.367 1.00 0.00 O ATOM 0 H GLY A 61 8.017 -18.711 -10.892 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.308 -19.375 -8.346 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.716 -18.360 -8.104 1.00 0.00 H new ATOM 961 N GLU A 62 5.739 -17.562 -8.912 1.00 0.00 N ATOM 962 CA GLU A 62 4.764 -16.502 -9.123 1.00 0.00 C ATOM 963 C GLU A 62 4.743 -15.631 -7.842 1.00 0.00 C ATOM 964 O GLU A 62 4.229 -16.045 -6.810 1.00 0.00 O ATOM 965 CB GLU A 62 3.443 -17.251 -9.384 1.00 0.00 C ATOM 966 CG GLU A 62 2.469 -16.525 -10.313 1.00 0.00 C ATOM 967 CD GLU A 62 1.532 -15.594 -9.554 1.00 0.00 C ATOM 968 OE1 GLU A 62 2.012 -14.606 -9.021 1.00 0.00 O ATOM 969 OE2 GLU A 62 0.332 -15.862 -9.517 1.00 0.00 O ATOM 0 H GLU A 62 5.333 -18.460 -8.648 1.00 0.00 H new ATOM 0 HA GLU A 62 4.972 -15.827 -9.953 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.673 -18.227 -9.812 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.948 -17.430 -8.429 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.032 -15.950 -11.048 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.881 -17.259 -10.864 1.00 0.00 H new ATOM 976 N VAL A 63 5.361 -14.430 -7.960 1.00 0.00 N ATOM 977 CA VAL A 63 5.464 -13.516 -6.823 1.00 0.00 C ATOM 978 C VAL A 63 4.803 -12.191 -7.189 1.00 0.00 C ATOM 979 O VAL A 63 4.250 -12.019 -8.265 1.00 0.00 O ATOM 980 CB VAL A 63 6.963 -13.238 -6.513 1.00 0.00 C ATOM 981 CG1 VAL A 63 7.736 -14.524 -6.206 1.00 0.00 C ATOM 982 CG2 VAL A 63 7.691 -12.420 -7.613 1.00 0.00 C ATOM 0 H VAL A 63 5.786 -14.086 -8.821 1.00 0.00 H new ATOM 0 HA VAL A 63 4.977 -13.963 -5.956 1.00 0.00 H new ATOM 0 HB VAL A 63 6.950 -12.616 -5.618 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.778 -14.281 -5.996 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.296 -15.015 -5.338 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.686 -15.193 -7.065 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.731 -12.267 -7.325 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.652 -12.964 -8.557 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.202 -11.453 -7.731 1.00 0.00 H new ATOM 992 N VAL A 64 4.929 -11.280 -6.199 1.00 0.00 N ATOM 993 CA VAL A 64 4.504 -9.896 -6.333 1.00 0.00 C ATOM 994 C VAL A 64 5.827 -9.123 -6.338 1.00 0.00 C ATOM 995 O VAL A 64 6.880 -9.707 -6.526 1.00 0.00 O ATOM 996 CB VAL A 64 3.430 -9.456 -5.306 1.00 0.00 C ATOM 997 CG1 VAL A 64 2.767 -8.100 -5.591 1.00 0.00 C ATOM 998 CG2 VAL A 64 2.266 -10.399 -5.400 1.00 0.00 C ATOM 0 H VAL A 64 5.331 -11.499 -5.287 1.00 0.00 H new ATOM 0 HA VAL A 64 3.942 -9.697 -7.246 1.00 0.00 H new ATOM 0 HB VAL A 64 3.966 -9.425 -4.357 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.032 -7.884 -4.816 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.526 -7.318 -5.599 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.272 -8.134 -6.561 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.500 -10.104 -4.683 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.852 -10.367 -6.408 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.600 -11.412 -5.177 1.00 0.00 H new ATOM 1008 N LYS A 65 5.716 -7.813 -6.177 1.00 0.00 N ATOM 1009 CA LYS A 65 6.838 -6.880 -6.105 1.00 0.00 C ATOM 1010 C LYS A 65 6.465 -5.836 -5.060 1.00 0.00 C ATOM 1011 O LYS A 65 5.352 -5.837 -4.565 1.00 0.00 O ATOM 1012 CB LYS A 65 7.092 -6.189 -7.453 1.00 0.00 C ATOM 1013 CG LYS A 65 7.590 -7.136 -8.544 1.00 0.00 C ATOM 1014 CD LYS A 65 9.087 -7.503 -8.448 1.00 0.00 C ATOM 1015 CE LYS A 65 9.403 -8.788 -7.678 1.00 0.00 C ATOM 1016 NZ LYS A 65 10.687 -9.361 -8.072 1.00 0.00 N ATOM 0 H LYS A 65 4.811 -7.351 -6.089 1.00 0.00 H new ATOM 0 HA LYS A 65 7.751 -7.415 -5.845 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.169 -5.716 -7.788 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.825 -5.394 -7.312 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.002 -8.053 -8.506 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.404 -6.678 -9.516 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.485 -7.598 -9.458 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.616 -6.676 -7.974 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.413 -8.576 -6.609 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.612 -9.518 -7.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.933 -10.138 -7.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.621 -9.726 -9.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.423 -8.627 -8.028 1.00 0.00 H new ATOM 1030 N HIS A 66 7.447 -4.967 -4.754 1.00 0.00 N ATOM 1031 CA HIS A 66 7.252 -3.893 -3.791 1.00 0.00 C ATOM 1032 C HIS A 66 8.122 -2.684 -4.195 1.00 0.00 C ATOM 1033 O HIS A 66 9.312 -2.798 -4.458 1.00 0.00 O ATOM 1034 CB HIS A 66 7.663 -4.337 -2.366 1.00 0.00 C ATOM 1035 CG HIS A 66 6.526 -5.006 -1.623 1.00 0.00 C ATOM 1036 ND1 HIS A 66 5.242 -4.965 -2.018 1.00 0.00 N ATOM 1037 CD2 HIS A 66 6.589 -5.735 -0.425 1.00 0.00 C ATOM 1038 CE1 HIS A 66 4.536 -5.641 -1.099 1.00 0.00 C ATOM 1039 NE2 HIS A 66 5.327 -6.118 -0.121 1.00 0.00 N ATOM 0 H HIS A 66 8.380 -4.997 -5.166 1.00 0.00 H new ATOM 0 HA HIS A 66 6.195 -3.628 -3.788 1.00 0.00 H new ATOM 0 HB2 HIS A 66 8.506 -5.025 -2.431 1.00 0.00 H new ATOM 0 HB3 HIS A 66 8.003 -3.469 -1.801 1.00 0.00 H new ATOM 0 HD2 HIS A 66 7.479 -5.950 0.148 1.00 0.00 H new ATOM 0 HE1 HIS A 66 3.466 -5.784 -1.139 1.00 0.00 H new ATOM 0 HE2 HIS A 66 5.033 -6.662 0.690 1.00 0.00 H new ATOM 1047 N TYR A 67 7.420 -1.532 -4.209 1.00 0.00 N ATOM 1048 CA TYR A 67 7.994 -0.223 -4.506 1.00 0.00 C ATOM 1049 C TYR A 67 7.387 0.738 -3.476 1.00 0.00 C ATOM 1050 O TYR A 67 6.412 0.407 -2.813 1.00 0.00 O ATOM 1051 CB TYR A 67 7.634 0.283 -5.914 1.00 0.00 C ATOM 1052 CG TYR A 67 8.006 -0.659 -7.025 1.00 0.00 C ATOM 1053 CD1 TYR A 67 9.291 -0.644 -7.548 1.00 0.00 C ATOM 1054 CD2 TYR A 67 7.068 -1.530 -7.565 1.00 0.00 C ATOM 1055 CE1 TYR A 67 9.644 -1.484 -8.597 1.00 0.00 C ATOM 1056 CE2 TYR A 67 7.405 -2.376 -8.612 1.00 0.00 C ATOM 1057 CZ TYR A 67 8.700 -2.362 -9.144 1.00 0.00 C ATOM 1058 OH TYR A 67 9.024 -3.168 -10.232 1.00 0.00 O ATOM 0 H TYR A 67 6.420 -1.495 -4.009 1.00 0.00 H new ATOM 0 HA TYR A 67 9.081 -0.285 -4.463 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.561 0.470 -5.956 1.00 0.00 H new ATOM 0 HB3 TYR A 67 8.131 1.238 -6.082 1.00 0.00 H new ATOM 0 HD1 TYR A 67 10.027 0.030 -7.134 1.00 0.00 H new ATOM 0 HD2 TYR A 67 6.065 -1.549 -7.165 1.00 0.00 H new ATOM 0 HE1 TYR A 67 10.649 -1.460 -8.992 1.00 0.00 H new ATOM 0 HE2 TYR A 67 6.664 -3.049 -9.019 1.00 0.00 H new ATOM 0 HH TYR A 67 9.981 -3.085 -10.428 1.00 0.00 H new ATOM 1068 N LYS A 68 7.997 1.937 -3.383 1.00 0.00 N ATOM 1069 CA LYS A 68 7.498 2.931 -2.446 1.00 0.00 C ATOM 1070 C LYS A 68 7.532 4.353 -3.044 1.00 0.00 C ATOM 1071 O LYS A 68 8.569 4.961 -3.293 1.00 0.00 O ATOM 1072 CB LYS A 68 8.137 2.771 -1.064 1.00 0.00 C ATOM 1073 CG LYS A 68 9.570 3.249 -0.952 1.00 0.00 C ATOM 1074 CD LYS A 68 10.568 2.318 -1.651 1.00 0.00 C ATOM 1075 CE LYS A 68 11.639 1.787 -0.700 1.00 0.00 C ATOM 1076 NZ LYS A 68 11.104 0.822 0.257 1.00 0.00 N ATOM 0 H LYS A 68 8.808 2.223 -3.931 1.00 0.00 H new ATOM 0 HA LYS A 68 6.437 2.750 -2.271 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.533 3.315 -0.338 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.100 1.718 -0.785 1.00 0.00 H new ATOM 0 HG2 LYS A 68 9.649 4.247 -1.383 1.00 0.00 H new ATOM 0 HG3 LYS A 68 9.838 3.335 0.101 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.030 1.479 -2.091 1.00 0.00 H new ATOM 0 HD3 LYS A 68 11.048 2.854 -2.470 1.00 0.00 H new ATOM 0 HE2 LYS A 68 12.435 1.318 -1.279 1.00 0.00 H new ATOM 0 HE3 LYS A 68 12.087 2.621 -0.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 11.868 0.491 0.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 10.363 1.275 0.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 10.700 0.012 -0.256 1.00 0.00 H new ATOM 1090 N ILE A 69 6.284 4.795 -3.279 1.00 0.00 N ATOM 1091 CA ILE A 69 5.968 6.120 -3.779 1.00 0.00 C ATOM 1092 C ILE A 69 5.843 7.080 -2.600 1.00 0.00 C ATOM 1093 O ILE A 69 4.950 6.945 -1.777 1.00 0.00 O ATOM 1094 CB ILE A 69 4.681 6.154 -4.645 1.00 0.00 C ATOM 1095 CG1 ILE A 69 3.618 5.102 -4.310 1.00 0.00 C ATOM 1096 CG2 ILE A 69 4.842 6.429 -6.120 1.00 0.00 C ATOM 1097 CD1 ILE A 69 3.727 3.757 -5.031 1.00 0.00 C ATOM 0 H ILE A 69 5.458 4.219 -3.119 1.00 0.00 H new ATOM 0 HA ILE A 69 6.782 6.427 -4.435 1.00 0.00 H new ATOM 0 HB ILE A 69 4.250 7.089 -4.288 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.651 4.916 -3.237 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.639 5.527 -4.530 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.863 6.423 -6.600 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.309 7.404 -6.259 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.470 5.659 -6.567 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.917 3.103 -4.706 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.657 3.914 -6.107 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.685 3.294 -4.794 1.00 0.00 H new ATOM 1109 N ARG A 70 6.783 8.047 -2.558 1.00 0.00 N ATOM 1110 CA ARG A 70 6.687 9.056 -1.508 1.00 0.00 C ATOM 1111 C ARG A 70 5.748 10.138 -2.047 1.00 0.00 C ATOM 1112 O ARG A 70 5.169 9.992 -3.113 1.00 0.00 O ATOM 1113 CB ARG A 70 8.060 9.601 -1.099 1.00 0.00 C ATOM 1114 CG ARG A 70 8.849 8.569 -0.287 1.00 0.00 C ATOM 1115 CD ARG A 70 9.562 7.599 -1.218 1.00 0.00 C ATOM 1116 NE ARG A 70 10.807 7.121 -0.626 1.00 0.00 N ATOM 1117 CZ ARG A 70 11.668 6.366 -1.337 1.00 0.00 C ATOM 1118 NH1 ARG A 70 11.352 5.937 -2.554 1.00 0.00 N ATOM 1119 NH2 ARG A 70 12.842 6.049 -0.811 1.00 0.00 N ATOM 0 H ARG A 70 7.569 8.143 -3.201 1.00 0.00 H new ATOM 0 HA ARG A 70 6.289 8.631 -0.587 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.625 9.875 -1.990 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.932 10.510 -0.511 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.576 9.075 0.349 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.175 8.022 0.372 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.910 6.753 -1.435 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.773 8.090 -2.168 1.00 0.00 H new ATOM 0 HE ARG A 70 11.029 7.362 0.340 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.448 6.178 -2.961 1.00 0.00 H new ATOM 0 HH12 ARG A 70 12.013 5.366 -3.081 1.00 0.00 H new ATOM 0 HH21 ARG A 70 13.087 6.376 0.124 1.00 0.00 H new ATOM 0 HH22 ARG A 70 13.501 5.478 -1.341 1.00 0.00 H new ATOM 1133 N SER A 71 5.646 11.213 -1.258 1.00 0.00 N ATOM 1134 CA SER A 71 4.768 12.312 -1.607 1.00 0.00 C ATOM 1135 C SER A 71 5.505 13.633 -1.422 1.00 0.00 C ATOM 1136 O SER A 71 6.020 13.934 -0.351 1.00 0.00 O ATOM 1137 CB SER A 71 3.613 12.224 -0.586 1.00 0.00 C ATOM 1138 OG SER A 71 3.964 11.708 0.766 1.00 0.00 O ATOM 0 H SER A 71 6.158 11.336 -0.385 1.00 0.00 H new ATOM 0 HA SER A 71 4.423 12.260 -2.640 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.182 13.218 -0.471 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.835 11.586 -1.004 1.00 0.00 H new ATOM 0 HG SER A 71 3.474 12.214 1.447 1.00 0.00 H new ATOM 1144 N LEU A 72 5.490 14.393 -2.535 1.00 0.00 N ATOM 1145 CA LEU A 72 6.127 15.690 -2.624 1.00 0.00 C ATOM 1146 C LEU A 72 5.071 16.764 -2.829 1.00 0.00 C ATOM 1147 O LEU A 72 4.097 16.605 -3.556 1.00 0.00 O ATOM 1148 CB LEU A 72 7.115 15.701 -3.794 1.00 0.00 C ATOM 1149 CG LEU A 72 7.882 14.399 -3.957 1.00 0.00 C ATOM 1150 CD1 LEU A 72 8.548 13.964 -2.646 1.00 0.00 C ATOM 1151 CD2 LEU A 72 7.026 13.320 -4.648 1.00 0.00 C ATOM 0 H LEU A 72 5.027 14.107 -3.397 1.00 0.00 H new ATOM 0 HA LEU A 72 6.668 15.891 -1.699 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.571 15.910 -4.715 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.825 16.515 -3.651 1.00 0.00 H new ATOM 0 HG LEU A 72 8.714 14.568 -4.640 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.086 13.029 -2.804 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.247 14.734 -2.320 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.785 13.819 -1.881 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.607 12.403 -4.748 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.137 13.123 -4.050 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.728 13.670 -5.636 1.00 0.00 H new ATOM 1163 N ASP A 73 5.379 17.862 -2.129 1.00 0.00 N ATOM 1164 CA ASP A 73 4.541 19.055 -2.166 1.00 0.00 C ATOM 1165 C ASP A 73 4.597 19.748 -3.542 1.00 0.00 C ATOM 1166 O ASP A 73 3.645 20.380 -3.983 1.00 0.00 O ATOM 1167 CB ASP A 73 4.999 20.049 -1.085 1.00 0.00 C ATOM 1168 CG ASP A 73 6.515 20.340 -1.141 1.00 0.00 C ATOM 1169 OD1 ASP A 73 7.280 19.584 -0.542 1.00 0.00 O ATOM 1170 OD2 ASP A 73 6.908 21.312 -1.784 1.00 0.00 O ATOM 0 H ASP A 73 6.202 17.944 -1.532 1.00 0.00 H new ATOM 0 HA ASP A 73 3.514 18.741 -1.980 1.00 0.00 H new ATOM 0 HB2 ASP A 73 4.450 20.983 -1.202 1.00 0.00 H new ATOM 0 HB3 ASP A 73 4.746 19.651 -0.102 1.00 0.00 H new ATOM 1175 N ASN A 74 5.774 19.565 -4.172 1.00 0.00 N ATOM 1176 CA ASN A 74 6.069 20.162 -5.468 1.00 0.00 C ATOM 1177 C ASN A 74 6.332 19.120 -6.575 1.00 0.00 C ATOM 1178 O ASN A 74 6.717 19.473 -7.684 1.00 0.00 O ATOM 1179 CB ASN A 74 7.308 21.056 -5.286 1.00 0.00 C ATOM 1180 CG ASN A 74 8.547 20.289 -4.776 1.00 0.00 C ATOM 1181 OD1 ASN A 74 8.550 19.076 -4.603 1.00 0.00 O ATOM 1182 ND2 ASN A 74 9.600 21.088 -4.551 1.00 0.00 N ATOM 0 H ASN A 74 6.535 19.002 -3.792 1.00 0.00 H new ATOM 0 HA ASN A 74 5.198 20.730 -5.795 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.549 21.529 -6.238 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.070 21.855 -4.584 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.477 20.692 -4.213 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.524 22.091 -4.718 1.00 0.00 H new ATOM 1189 N GLY A 75 6.114 17.836 -6.228 1.00 0.00 N ATOM 1190 CA GLY A 75 6.383 16.790 -7.215 1.00 0.00 C ATOM 1191 C GLY A 75 5.509 15.541 -7.133 1.00 0.00 C ATOM 1192 O GLY A 75 5.887 14.497 -7.635 1.00 0.00 O ATOM 0 H GLY A 75 5.771 17.516 -5.322 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.271 17.221 -8.210 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.425 16.486 -7.115 1.00 0.00 H new ATOM 1196 N GLY A 76 4.348 15.684 -6.474 1.00 0.00 N ATOM 1197 CA GLY A 76 3.372 14.601 -6.374 1.00 0.00 C ATOM 1198 C GLY A 76 3.832 13.303 -5.709 1.00 0.00 C ATOM 1199 O GLY A 76 3.592 13.094 -4.527 1.00 0.00 O ATOM 0 H GLY A 76 4.067 16.544 -6.003 1.00 0.00 H new ATOM 0 HA2 GLY A 76 2.508 14.975 -5.824 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.029 14.362 -7.381 1.00 0.00 H new ATOM 1203 N TYR A 77 4.483 12.439 -6.540 1.00 0.00 N ATOM 1204 CA TYR A 77 4.964 11.145 -6.063 1.00 0.00 C ATOM 1205 C TYR A 77 6.203 10.749 -6.849 1.00 0.00 C ATOM 1206 O TYR A 77 6.364 11.081 -8.015 1.00 0.00 O ATOM 1207 CB TYR A 77 3.938 10.015 -6.313 1.00 0.00 C ATOM 1208 CG TYR A 77 2.616 10.227 -5.642 1.00 0.00 C ATOM 1209 CD1 TYR A 77 1.634 10.998 -6.240 1.00 0.00 C ATOM 1210 CD2 TYR A 77 2.355 9.631 -4.426 1.00 0.00 C ATOM 1211 CE1 TYR A 77 0.389 11.176 -5.647 1.00 0.00 C ATOM 1212 CE2 TYR A 77 1.134 9.815 -3.798 1.00 0.00 C ATOM 1213 CZ TYR A 77 0.119 10.562 -4.416 1.00 0.00 C ATOM 1214 OH TYR A 77 -1.137 10.685 -3.827 1.00 0.00 O ATOM 0 H TYR A 77 4.676 12.627 -7.524 1.00 0.00 H new ATOM 0 HA TYR A 77 5.152 11.257 -4.995 1.00 0.00 H new ATOM 0 HB2 TYR A 77 3.776 9.917 -7.387 1.00 0.00 H new ATOM 0 HB3 TYR A 77 4.361 9.072 -5.967 1.00 0.00 H new ATOM 0 HD1 TYR A 77 1.840 11.472 -7.188 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.109 9.015 -3.959 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -0.363 11.782 -6.130 1.00 0.00 H new ATOM 0 HE2 TYR A 77 0.962 9.380 -2.825 1.00 0.00 H new ATOM 0 HH TYR A 77 -1.149 10.196 -2.978 1.00 0.00 H new ATOM 1224 N TYR A 78 7.060 9.996 -6.123 1.00 0.00 N ATOM 1225 CA TYR A 78 8.277 9.491 -6.768 1.00 0.00 C ATOM 1226 C TYR A 78 8.666 8.108 -6.199 1.00 0.00 C ATOM 1227 O TYR A 78 8.696 7.910 -4.990 1.00 0.00 O ATOM 1228 CB TYR A 78 9.436 10.519 -6.720 1.00 0.00 C ATOM 1229 CG TYR A 78 10.256 10.588 -5.450 1.00 0.00 C ATOM 1230 CD1 TYR A 78 11.143 9.572 -5.109 1.00 0.00 C ATOM 1231 CD2 TYR A 78 10.171 11.687 -4.607 1.00 0.00 C ATOM 1232 CE1 TYR A 78 11.900 9.621 -3.949 1.00 0.00 C ATOM 1233 CE2 TYR A 78 10.941 11.764 -3.453 1.00 0.00 C ATOM 1234 CZ TYR A 78 11.794 10.719 -3.095 1.00 0.00 C ATOM 1235 OH TYR A 78 12.530 10.776 -1.916 1.00 0.00 O ATOM 0 H TYR A 78 6.938 9.739 -5.144 1.00 0.00 H new ATOM 0 HA TYR A 78 8.062 9.349 -7.827 1.00 0.00 H new ATOM 0 HB2 TYR A 78 10.113 10.302 -7.546 1.00 0.00 H new ATOM 0 HB3 TYR A 78 9.016 11.508 -6.904 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.245 8.721 -5.767 1.00 0.00 H new ATOM 0 HD2 TYR A 78 9.496 12.494 -4.851 1.00 0.00 H new ATOM 0 HE1 TYR A 78 12.571 8.810 -3.707 1.00 0.00 H new ATOM 0 HE2 TYR A 78 10.879 12.642 -2.827 1.00 0.00 H new ATOM 0 HH TYR A 78 12.332 11.613 -1.447 1.00 0.00 H new ATOM 1245 N ILE A 79 8.947 7.172 -7.143 1.00 0.00 N ATOM 1246 CA ILE A 79 9.409 5.806 -6.803 1.00 0.00 C ATOM 1247 C ILE A 79 10.951 5.753 -6.836 1.00 0.00 C ATOM 1248 O ILE A 79 11.584 4.955 -6.157 1.00 0.00 O ATOM 1249 CB ILE A 79 8.617 4.630 -7.426 1.00 0.00 C ATOM 1250 CG1 ILE A 79 7.989 5.001 -8.780 1.00 0.00 C ATOM 1251 CG2 ILE A 79 7.651 3.969 -6.428 1.00 0.00 C ATOM 1252 CD1 ILE A 79 7.129 3.886 -9.388 1.00 0.00 C ATOM 0 H ILE A 79 8.861 7.342 -8.145 1.00 0.00 H new ATOM 0 HA ILE A 79 9.130 5.603 -5.769 1.00 0.00 H new ATOM 0 HB ILE A 79 9.338 3.846 -7.660 1.00 0.00 H new ATOM 0 HG12 ILE A 79 7.375 5.893 -8.653 1.00 0.00 H new ATOM 0 HG13 ILE A 79 8.784 5.258 -9.481 1.00 0.00 H new ATOM 0 HG21 ILE A 79 7.123 3.152 -6.919 1.00 0.00 H new ATOM 0 HG22 ILE A 79 8.214 3.579 -5.580 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.930 4.707 -6.076 1.00 0.00 H new ATOM 0 HD11 ILE A 79 6.720 4.221 -10.341 1.00 0.00 H new ATOM 0 HD12 ILE A 79 7.743 2.999 -9.548 1.00 0.00 H new ATOM 0 HD13 ILE A 79 6.312 3.644 -8.708 1.00 0.00 H new ATOM 1264 N SER A 80 11.485 6.687 -7.638 1.00 0.00 N ATOM 1265 CA SER A 80 12.907 6.949 -7.789 1.00 0.00 C ATOM 1266 C SER A 80 12.912 8.475 -7.879 1.00 0.00 C ATOM 1267 O SER A 80 12.079 9.034 -8.580 1.00 0.00 O ATOM 1268 CB SER A 80 13.514 6.345 -9.082 1.00 0.00 C ATOM 1269 OG SER A 80 14.432 7.183 -9.897 1.00 0.00 O ATOM 0 H SER A 80 10.909 7.298 -8.217 1.00 0.00 H new ATOM 0 HA SER A 80 13.501 6.513 -6.986 1.00 0.00 H new ATOM 0 HB2 SER A 80 14.053 5.440 -8.803 1.00 0.00 H new ATOM 0 HB3 SER A 80 12.688 6.039 -9.724 1.00 0.00 H new ATOM 0 HG SER A 80 14.736 6.673 -10.676 1.00 0.00 H new ATOM 1275 N PRO A 81 13.835 9.178 -7.171 1.00 0.00 N ATOM 1276 CA PRO A 81 13.771 10.632 -7.204 1.00 0.00 C ATOM 1277 C PRO A 81 13.969 11.311 -8.565 1.00 0.00 C ATOM 1278 O PRO A 81 13.539 12.443 -8.742 1.00 0.00 O ATOM 1279 CB PRO A 81 14.779 11.086 -6.148 1.00 0.00 C ATOM 1280 CG PRO A 81 15.161 9.836 -5.355 1.00 0.00 C ATOM 1281 CD PRO A 81 14.860 8.660 -6.264 1.00 0.00 C ATOM 0 HA PRO A 81 12.750 10.950 -6.991 1.00 0.00 H new ATOM 0 HB2 PRO A 81 15.656 11.534 -6.615 1.00 0.00 H new ATOM 0 HB3 PRO A 81 14.344 11.843 -5.495 1.00 0.00 H new ATOM 0 HG2 PRO A 81 16.215 9.856 -5.078 1.00 0.00 H new ATOM 0 HG3 PRO A 81 14.589 9.771 -4.429 1.00 0.00 H new ATOM 0 HD2 PRO A 81 15.748 8.335 -6.806 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.499 7.800 -5.700 1.00 0.00 H new ATOM 1289 N ARG A 82 14.578 10.575 -9.529 1.00 0.00 N ATOM 1290 CA ARG A 82 14.739 11.214 -10.849 1.00 0.00 C ATOM 1291 C ARG A 82 13.419 11.124 -11.655 1.00 0.00 C ATOM 1292 O ARG A 82 13.150 11.944 -12.524 1.00 0.00 O ATOM 1293 CB ARG A 82 15.976 10.746 -11.645 1.00 0.00 C ATOM 1294 CG ARG A 82 15.830 9.546 -12.608 1.00 0.00 C ATOM 1295 CD ARG A 82 16.166 9.982 -14.035 1.00 0.00 C ATOM 1296 NE ARG A 82 17.603 10.196 -14.178 1.00 0.00 N ATOM 1297 CZ ARG A 82 18.471 9.222 -14.529 1.00 0.00 C ATOM 1298 NH1 ARG A 82 18.060 7.993 -14.821 1.00 0.00 N ATOM 1299 NH2 ARG A 82 19.766 9.500 -14.581 1.00 0.00 N ATOM 0 H ARG A 82 14.935 9.625 -9.432 1.00 0.00 H new ATOM 0 HA ARG A 82 14.951 12.267 -10.662 1.00 0.00 H new ATOM 0 HB2 ARG A 82 16.335 11.595 -12.227 1.00 0.00 H new ATOM 0 HB3 ARG A 82 16.757 10.499 -10.926 1.00 0.00 H new ATOM 0 HG2 ARG A 82 16.493 8.738 -12.299 1.00 0.00 H new ATOM 0 HG3 ARG A 82 14.813 9.157 -12.567 1.00 0.00 H new ATOM 0 HD2 ARG A 82 15.833 9.222 -14.742 1.00 0.00 H new ATOM 0 HD3 ARG A 82 15.630 10.899 -14.277 1.00 0.00 H new ATOM 0 HE ARG A 82 17.971 11.131 -14.004 1.00 0.00 H new ATOM 0 HH11 ARG A 82 17.067 7.765 -14.783 1.00 0.00 H new ATOM 0 HH12 ARG A 82 18.738 7.277 -15.083 1.00 0.00 H new ATOM 0 HH21 ARG A 82 20.095 10.439 -14.358 1.00 0.00 H new ATOM 0 HH22 ARG A 82 20.433 8.775 -14.844 1.00 0.00 H new ATOM 1313 N ILE A 83 12.623 10.083 -11.303 1.00 0.00 N ATOM 1314 CA ILE A 83 11.319 9.840 -11.918 1.00 0.00 C ATOM 1315 C ILE A 83 10.200 10.153 -10.896 1.00 0.00 C ATOM 1316 O ILE A 83 9.738 9.335 -10.103 1.00 0.00 O ATOM 1317 CB ILE A 83 11.207 8.452 -12.559 1.00 0.00 C ATOM 1318 CG1 ILE A 83 11.486 7.339 -11.555 1.00 0.00 C ATOM 1319 CG2 ILE A 83 12.074 8.305 -13.813 1.00 0.00 C ATOM 1320 CD1 ILE A 83 10.340 6.353 -11.518 1.00 0.00 C ATOM 0 H ILE A 83 12.876 9.400 -10.589 1.00 0.00 H new ATOM 0 HA ILE A 83 11.197 10.522 -12.760 1.00 0.00 H new ATOM 0 HB ILE A 83 10.171 8.352 -12.884 1.00 0.00 H new ATOM 0 HG12 ILE A 83 12.408 6.823 -11.823 1.00 0.00 H new ATOM 0 HG13 ILE A 83 11.637 7.766 -10.564 1.00 0.00 H new ATOM 0 HG21 ILE A 83 11.954 7.302 -14.223 1.00 0.00 H new ATOM 0 HG22 ILE A 83 11.766 9.040 -14.556 1.00 0.00 H new ATOM 0 HG23 ILE A 83 13.120 8.468 -13.553 1.00 0.00 H new ATOM 0 HD11 ILE A 83 10.559 5.567 -10.795 1.00 0.00 H new ATOM 0 HD12 ILE A 83 9.425 6.869 -11.226 1.00 0.00 H new ATOM 0 HD13 ILE A 83 10.208 5.911 -12.506 1.00 0.00 H new ATOM 1332 N THR A 84 9.827 11.438 -11.037 1.00 0.00 N ATOM 1333 CA THR A 84 8.806 12.118 -10.255 1.00 0.00 C ATOM 1334 C THR A 84 7.592 12.359 -11.184 1.00 0.00 C ATOM 1335 O THR A 84 7.730 12.450 -12.399 1.00 0.00 O ATOM 1336 CB THR A 84 9.461 13.455 -9.817 1.00 0.00 C ATOM 1337 OG1 THR A 84 10.915 13.538 -9.619 1.00 0.00 O ATOM 1338 CG2 THR A 84 8.749 13.986 -8.568 1.00 0.00 C ATOM 0 H THR A 84 10.255 12.049 -11.733 1.00 0.00 H new ATOM 0 HA THR A 84 8.461 11.559 -9.385 1.00 0.00 H new ATOM 0 HB THR A 84 9.324 14.067 -10.708 1.00 0.00 H new ATOM 0 HG1 THR A 84 11.243 12.693 -9.247 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.208 14.925 -8.259 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.696 14.154 -8.793 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.836 13.257 -7.762 1.00 0.00 H new ATOM 1346 N PHE A 85 6.414 12.448 -10.530 1.00 0.00 N ATOM 1347 CA PHE A 85 5.132 12.592 -11.250 1.00 0.00 C ATOM 1348 C PHE A 85 4.205 13.502 -10.426 1.00 0.00 C ATOM 1349 O PHE A 85 4.167 13.380 -9.214 1.00 0.00 O ATOM 1350 CB PHE A 85 4.507 11.188 -11.446 1.00 0.00 C ATOM 1351 CG PHE A 85 5.405 10.327 -12.299 1.00 0.00 C ATOM 1352 CD1 PHE A 85 6.484 9.663 -11.727 1.00 0.00 C ATOM 1353 CD2 PHE A 85 5.223 10.240 -13.675 1.00 0.00 C ATOM 1354 CE1 PHE A 85 7.414 9.009 -12.515 1.00 0.00 C ATOM 1355 CE2 PHE A 85 6.127 9.539 -14.466 1.00 0.00 C ATOM 1356 CZ PHE A 85 7.234 8.931 -13.888 1.00 0.00 C ATOM 0 H PHE A 85 6.325 12.423 -9.514 1.00 0.00 H new ATOM 0 HA PHE A 85 5.283 13.043 -12.231 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.351 10.714 -10.477 1.00 0.00 H new ATOM 0 HB3 PHE A 85 3.528 11.281 -11.916 1.00 0.00 H new ATOM 0 HD1 PHE A 85 6.598 9.658 -10.653 1.00 0.00 H new ATOM 0 HD2 PHE A 85 4.372 10.721 -14.134 1.00 0.00 H new ATOM 0 HE1 PHE A 85 8.283 8.558 -12.060 1.00 0.00 H new ATOM 0 HE2 PHE A 85 5.968 9.467 -15.532 1.00 0.00 H new ATOM 0 HZ PHE A 85 7.948 8.402 -14.502 1.00 0.00 H new ATOM 1366 N PRO A 86 3.419 14.400 -11.096 1.00 0.00 N ATOM 1367 CA PRO A 86 2.537 15.342 -10.384 1.00 0.00 C ATOM 1368 C PRO A 86 1.418 14.671 -9.562 1.00 0.00 C ATOM 1369 O PRO A 86 0.780 15.295 -8.723 1.00 0.00 O ATOM 1370 CB PRO A 86 1.943 16.206 -11.512 1.00 0.00 C ATOM 1371 CG PRO A 86 2.052 15.339 -12.770 1.00 0.00 C ATOM 1372 CD PRO A 86 3.298 14.483 -12.551 1.00 0.00 C ATOM 0 HA PRO A 86 3.098 15.904 -9.637 1.00 0.00 H new ATOM 0 HB2 PRO A 86 0.907 16.471 -11.303 1.00 0.00 H new ATOM 0 HB3 PRO A 86 2.494 17.140 -11.626 1.00 0.00 H new ATOM 0 HG2 PRO A 86 1.165 14.719 -12.901 1.00 0.00 H new ATOM 0 HG3 PRO A 86 2.147 15.953 -13.666 1.00 0.00 H new ATOM 0 HD2 PRO A 86 3.188 13.496 -12.999 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.180 14.940 -12.999 1.00 0.00 H new ATOM 1380 N THR A 87 1.240 13.368 -9.848 1.00 0.00 N ATOM 1381 CA THR A 87 0.263 12.523 -9.175 1.00 0.00 C ATOM 1382 C THR A 87 0.536 11.099 -9.631 1.00 0.00 C ATOM 1383 O THR A 87 1.212 10.856 -10.624 1.00 0.00 O ATOM 1384 CB THR A 87 -1.226 12.845 -9.463 1.00 0.00 C ATOM 1385 OG1 THR A 87 -2.187 11.788 -9.160 1.00 0.00 O ATOM 1386 CG2 THR A 87 -1.398 13.574 -10.818 1.00 0.00 C ATOM 0 H THR A 87 1.780 12.877 -10.561 1.00 0.00 H new ATOM 0 HA THR A 87 0.387 12.691 -8.105 1.00 0.00 H new ATOM 0 HB THR A 87 -1.527 13.569 -8.706 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.878 11.766 -9.854 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.454 13.784 -10.987 1.00 0.00 H new ATOM 0 HG22 THR A 87 -0.840 14.510 -10.801 1.00 0.00 H new ATOM 0 HG23 THR A 87 -1.021 12.942 -11.622 1.00 0.00 H new ATOM 1394 N LEU A 88 -0.061 10.174 -8.853 1.00 0.00 N ATOM 1395 CA LEU A 88 0.114 8.779 -9.177 1.00 0.00 C ATOM 1396 C LEU A 88 -0.502 8.444 -10.526 1.00 0.00 C ATOM 1397 O LEU A 88 0.030 7.575 -11.184 1.00 0.00 O ATOM 1398 CB LEU A 88 -0.591 7.813 -8.218 1.00 0.00 C ATOM 1399 CG LEU A 88 -0.006 7.718 -6.828 1.00 0.00 C ATOM 1400 CD1 LEU A 88 -0.818 6.704 -6.054 1.00 0.00 C ATOM 1401 CD2 LEU A 88 1.434 7.253 -6.818 1.00 0.00 C ATOM 0 H LEU A 88 -0.639 10.371 -8.036 1.00 0.00 H new ATOM 0 HA LEU A 88 1.196 8.651 -9.136 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.635 8.114 -8.132 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.582 6.818 -8.664 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.036 8.716 -6.390 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.419 6.613 -5.044 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.857 7.030 -6.006 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.764 5.737 -6.554 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.794 7.206 -5.790 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.500 6.264 -7.271 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.047 7.954 -7.386 1.00 0.00 H new ATOM 1413 N GLN A 89 -1.590 9.127 -10.961 1.00 0.00 N ATOM 1414 CA GLN A 89 -2.142 8.596 -12.228 1.00 0.00 C ATOM 1415 C GLN A 89 -1.218 8.818 -13.435 1.00 0.00 C ATOM 1416 O GLN A 89 -1.196 8.028 -14.367 1.00 0.00 O ATOM 1417 CB GLN A 89 -3.626 8.873 -12.440 1.00 0.00 C ATOM 1418 CG GLN A 89 -3.981 10.148 -13.161 1.00 0.00 C ATOM 1419 CD GLN A 89 -3.407 11.390 -12.513 1.00 0.00 C ATOM 1420 OE1 GLN A 89 -3.792 11.509 -11.242 1.00 0.00 O flip ATOM 1421 NE2 GLN A 89 -2.676 12.163 -13.115 1.00 0.00 N flip ATOM 0 H GLN A 89 -2.048 9.930 -10.529 1.00 0.00 H new ATOM 0 HA GLN A 89 -2.143 7.511 -12.119 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -4.052 8.038 -12.996 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -4.112 8.887 -11.465 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -3.623 10.086 -14.189 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -5.066 10.240 -13.206 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -2.438 11.985 -14.091 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -2.304 12.986 -12.642 1.00 0.00 H new ATOM 1430 N ALA A 90 -0.427 9.902 -13.322 1.00 0.00 N ATOM 1431 CA ALA A 90 0.565 10.232 -14.351 1.00 0.00 C ATOM 1432 C ALA A 90 1.780 9.260 -14.291 1.00 0.00 C ATOM 1433 O ALA A 90 2.635 9.232 -15.166 1.00 0.00 O ATOM 1434 CB ALA A 90 1.046 11.674 -14.126 1.00 0.00 C ATOM 0 H ALA A 90 -0.458 10.554 -12.538 1.00 0.00 H new ATOM 0 HA ALA A 90 0.103 10.133 -15.333 1.00 0.00 H new ATOM 0 HB1 ALA A 90 1.785 11.934 -14.884 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.198 12.356 -14.197 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.497 11.757 -13.137 1.00 0.00 H new ATOM 1440 N LEU A 91 1.786 8.478 -13.198 1.00 0.00 N ATOM 1441 CA LEU A 91 2.761 7.451 -12.861 1.00 0.00 C ATOM 1442 C LEU A 91 2.239 6.079 -13.343 1.00 0.00 C ATOM 1443 O LEU A 91 2.984 5.272 -13.882 1.00 0.00 O ATOM 1444 CB LEU A 91 3.030 7.631 -11.350 1.00 0.00 C ATOM 1445 CG LEU A 91 3.405 6.417 -10.496 1.00 0.00 C ATOM 1446 CD1 LEU A 91 4.176 6.824 -9.249 1.00 0.00 C ATOM 1447 CD2 LEU A 91 2.220 5.559 -10.074 1.00 0.00 C ATOM 0 H LEU A 91 1.059 8.559 -12.487 1.00 0.00 H new ATOM 0 HA LEU A 91 3.725 7.527 -13.363 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.832 8.362 -11.247 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.136 8.074 -10.911 1.00 0.00 H new ATOM 0 HG LEU A 91 4.033 5.813 -11.151 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.424 5.935 -8.669 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.093 7.336 -9.539 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.563 7.493 -8.644 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.573 4.721 -9.473 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.526 6.160 -9.486 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.711 5.180 -10.960 1.00 0.00 H new ATOM 1459 N VAL A 92 0.915 5.880 -13.168 1.00 0.00 N ATOM 1460 CA VAL A 92 0.224 4.661 -13.558 1.00 0.00 C ATOM 1461 C VAL A 92 -0.010 4.646 -15.098 1.00 0.00 C ATOM 1462 O VAL A 92 -0.324 3.612 -15.668 1.00 0.00 O ATOM 1463 CB VAL A 92 -1.091 4.546 -12.724 1.00 0.00 C ATOM 1464 CG1 VAL A 92 -1.573 3.128 -12.509 1.00 0.00 C ATOM 1465 CG2 VAL A 92 -0.988 5.053 -11.283 1.00 0.00 C ATOM 0 H VAL A 92 0.301 6.577 -12.746 1.00 0.00 H new ATOM 0 HA VAL A 92 0.828 3.780 -13.341 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.757 5.146 -13.343 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.491 3.141 -11.921 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.767 2.659 -13.474 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.809 2.561 -11.977 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.950 4.932 -10.785 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.229 4.481 -10.750 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.712 6.107 -11.287 1.00 0.00 H new ATOM 1475 N GLN A 93 0.201 5.844 -15.719 1.00 0.00 N ATOM 1476 CA GLN A 93 0.047 6.079 -17.157 1.00 0.00 C ATOM 1477 C GLN A 93 1.366 5.651 -17.828 1.00 0.00 C ATOM 1478 O GLN A 93 1.404 4.975 -18.851 1.00 0.00 O ATOM 1479 CB GLN A 93 -0.304 7.555 -17.507 1.00 0.00 C ATOM 1480 CG GLN A 93 0.881 8.500 -17.769 1.00 0.00 C ATOM 1481 CD GLN A 93 0.443 9.956 -17.953 1.00 0.00 C ATOM 1482 OE1 GLN A 93 -0.693 10.260 -18.287 1.00 0.00 O ATOM 1483 NE2 GLN A 93 1.425 10.832 -17.702 1.00 0.00 N ATOM 0 H GLN A 93 0.488 6.679 -15.209 1.00 0.00 H new ATOM 0 HA GLN A 93 -0.796 5.495 -17.525 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -0.941 7.553 -18.392 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -0.895 7.968 -16.690 1.00 0.00 H new ATOM 0 HG2 GLN A 93 1.582 8.438 -16.936 1.00 0.00 H new ATOM 0 HG3 GLN A 93 1.415 8.169 -18.660 1.00 0.00 H new ATOM 0 HE21 GLN A 93 2.349 10.498 -17.427 1.00 0.00 H new ATOM 0 HE22 GLN A 93 1.249 11.833 -17.785 1.00 0.00 H new ATOM 1492 N HIS A 94 2.448 6.094 -17.135 1.00 0.00 N ATOM 1493 CA HIS A 94 3.819 5.833 -17.539 1.00 0.00 C ATOM 1494 C HIS A 94 4.037 4.319 -17.648 1.00 0.00 C ATOM 1495 O HIS A 94 4.563 3.807 -18.631 1.00 0.00 O ATOM 1496 CB HIS A 94 4.760 6.473 -16.496 1.00 0.00 C ATOM 1497 CG HIS A 94 6.189 6.531 -16.988 1.00 0.00 C ATOM 1498 ND1 HIS A 94 7.258 6.259 -16.208 1.00 0.00 N ATOM 1499 CD2 HIS A 94 6.656 6.887 -18.264 1.00 0.00 C ATOM 1500 CE1 HIS A 94 8.337 6.443 -16.986 1.00 0.00 C ATOM 1501 NE2 HIS A 94 8.005 6.823 -18.233 1.00 0.00 N ATOM 0 H HIS A 94 2.373 6.643 -16.279 1.00 0.00 H new ATOM 0 HA HIS A 94 4.031 6.268 -18.516 1.00 0.00 H new ATOM 0 HB2 HIS A 94 4.414 7.481 -16.265 1.00 0.00 H new ATOM 0 HB3 HIS A 94 4.718 5.901 -15.569 1.00 0.00 H new ATOM 0 HD1 HIS A 94 7.248 5.973 -15.229 1.00 0.00 H new ATOM 0 HD2 HIS A 94 6.048 7.161 -19.114 1.00 0.00 H new ATOM 0 HE1 HIS A 94 9.354 6.302 -16.650 1.00 0.00 H new ATOM 1509 N TYR A 95 3.545 3.647 -16.581 1.00 0.00 N ATOM 1510 CA TYR A 95 3.668 2.196 -16.512 1.00 0.00 C ATOM 1511 C TYR A 95 2.692 1.479 -17.432 1.00 0.00 C ATOM 1512 O TYR A 95 2.991 0.378 -17.865 1.00 0.00 O ATOM 1513 CB TYR A 95 3.659 1.675 -15.071 1.00 0.00 C ATOM 1514 CG TYR A 95 4.642 2.431 -14.225 1.00 0.00 C ATOM 1515 CD1 TYR A 95 5.889 2.802 -14.719 1.00 0.00 C ATOM 1516 CD2 TYR A 95 4.278 2.827 -12.949 1.00 0.00 C ATOM 1517 CE1 TYR A 95 6.719 3.641 -14.002 1.00 0.00 C ATOM 1518 CE2 TYR A 95 5.104 3.655 -12.214 1.00 0.00 C ATOM 1519 CZ TYR A 95 6.300 4.125 -12.762 1.00 0.00 C ATOM 1520 OH TYR A 95 7.024 5.106 -12.107 1.00 0.00 O ATOM 0 H TYR A 95 3.076 4.081 -15.786 1.00 0.00 H new ATOM 0 HA TYR A 95 4.656 1.948 -16.901 1.00 0.00 H new ATOM 0 HB2 TYR A 95 2.658 1.774 -14.650 1.00 0.00 H new ATOM 0 HB3 TYR A 95 3.905 0.613 -15.062 1.00 0.00 H new ATOM 0 HD1 TYR A 95 6.213 2.428 -15.679 1.00 0.00 H new ATOM 0 HD2 TYR A 95 3.344 2.487 -12.527 1.00 0.00 H new ATOM 0 HE1 TYR A 95 7.684 3.920 -14.398 1.00 0.00 H new ATOM 0 HE2 TYR A 95 4.824 3.940 -11.211 1.00 0.00 H new ATOM 0 HH TYR A 95 6.421 5.828 -11.830 1.00 0.00 H new ATOM 1530 N SER A 96 1.548 2.134 -17.760 1.00 0.00 N ATOM 1531 CA SER A 96 0.613 1.447 -18.670 1.00 0.00 C ATOM 1532 C SER A 96 1.255 1.087 -20.036 1.00 0.00 C ATOM 1533 O SER A 96 0.782 0.188 -20.719 1.00 0.00 O ATOM 1534 CB SER A 96 -0.702 2.264 -18.858 1.00 0.00 C ATOM 1535 OG SER A 96 -1.618 2.507 -17.714 1.00 0.00 O ATOM 0 H SER A 96 1.270 3.061 -17.437 1.00 0.00 H new ATOM 0 HA SER A 96 0.358 0.502 -18.191 1.00 0.00 H new ATOM 0 HB2 SER A 96 -0.419 3.239 -19.254 1.00 0.00 H new ATOM 0 HB3 SER A 96 -1.283 1.762 -19.632 1.00 0.00 H new ATOM 0 HG SER A 96 -1.094 2.729 -16.917 1.00 0.00 H new ATOM 1541 N LYS A 97 2.341 1.817 -20.387 1.00 0.00 N ATOM 1542 CA LYS A 97 3.068 1.529 -21.628 1.00 0.00 C ATOM 1543 C LYS A 97 4.228 0.542 -21.360 1.00 0.00 C ATOM 1544 O LYS A 97 4.321 -0.524 -21.957 1.00 0.00 O ATOM 1545 CB LYS A 97 3.578 2.850 -22.231 1.00 0.00 C ATOM 1546 CG LYS A 97 2.529 3.581 -23.085 1.00 0.00 C ATOM 1547 CD LYS A 97 1.245 3.964 -22.331 1.00 0.00 C ATOM 1548 CE LYS A 97 0.316 4.862 -23.155 1.00 0.00 C ATOM 1549 NZ LYS A 97 -0.146 4.219 -24.383 1.00 0.00 N ATOM 0 H LYS A 97 2.719 2.589 -19.838 1.00 0.00 H new ATOM 0 HA LYS A 97 2.399 1.053 -22.345 1.00 0.00 H new ATOM 0 HB2 LYS A 97 3.900 3.508 -21.424 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.455 2.645 -22.844 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.979 4.486 -23.493 1.00 0.00 H new ATOM 0 HG3 LYS A 97 2.263 2.947 -23.931 1.00 0.00 H new ATOM 0 HD2 LYS A 97 0.710 3.057 -22.050 1.00 0.00 H new ATOM 0 HD3 LYS A 97 1.511 4.476 -21.406 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.546 5.140 -22.549 1.00 0.00 H new ATOM 0 HE3 LYS A 97 0.839 5.785 -23.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.784 4.863 -24.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 0.671 3.992 -24.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -0.655 3.343 -24.146 1.00 0.00 H new ATOM 1563 N LYS A 98 5.093 0.971 -20.423 1.00 0.00 N ATOM 1564 CA LYS A 98 6.243 0.175 -20.008 1.00 0.00 C ATOM 1565 C LYS A 98 6.680 0.604 -18.611 1.00 0.00 C ATOM 1566 O LYS A 98 6.438 1.711 -18.160 1.00 0.00 O ATOM 1567 CB LYS A 98 7.404 0.047 -20.987 1.00 0.00 C ATOM 1568 CG LYS A 98 7.807 1.340 -21.647 1.00 0.00 C ATOM 1569 CD LYS A 98 8.267 2.461 -20.715 1.00 0.00 C ATOM 1570 CE LYS A 98 7.178 3.495 -20.384 1.00 0.00 C ATOM 1571 NZ LYS A 98 7.502 4.833 -20.861 1.00 0.00 N ATOM 0 H LYS A 98 5.010 1.867 -19.943 1.00 0.00 H new ATOM 0 HA LYS A 98 5.883 -0.854 -19.993 1.00 0.00 H new ATOM 0 HB2 LYS A 98 8.266 -0.361 -20.459 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.134 -0.673 -21.760 1.00 0.00 H new ATOM 0 HG2 LYS A 98 8.612 1.129 -22.351 1.00 0.00 H new ATOM 0 HG3 LYS A 98 6.961 1.705 -22.230 1.00 0.00 H new ATOM 0 HD2 LYS A 98 8.628 2.020 -19.786 1.00 0.00 H new ATOM 0 HD3 LYS A 98 9.112 2.975 -21.173 1.00 0.00 H new ATOM 0 HE2 LYS A 98 6.234 3.176 -20.827 1.00 0.00 H new ATOM 0 HE3 LYS A 98 7.029 3.526 -19.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 6.758 5.497 -20.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 8.413 5.134 -20.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 7.567 4.825 -21.899 1.00 0.00 H new ATOM 1585 N GLY A 99 7.365 -0.354 -17.971 1.00 0.00 N ATOM 1586 CA GLY A 99 7.862 -0.157 -16.611 1.00 0.00 C ATOM 1587 C GLY A 99 8.865 0.985 -16.509 1.00 0.00 C ATOM 1588 O GLY A 99 8.927 1.688 -15.510 1.00 0.00 O ATOM 0 H GLY A 99 7.584 -1.265 -18.374 1.00 0.00 H new ATOM 0 HA2 GLY A 99 7.021 0.044 -15.947 1.00 0.00 H new ATOM 0 HA3 GLY A 99 8.330 -1.078 -16.263 1.00 0.00 H new ATOM 1592 N ASP A 100 9.648 1.107 -17.605 1.00 0.00 N ATOM 1593 CA ASP A 100 10.670 2.156 -17.721 1.00 0.00 C ATOM 1594 C ASP A 100 11.700 2.136 -16.547 1.00 0.00 C ATOM 1595 O ASP A 100 12.376 3.121 -16.281 1.00 0.00 O ATOM 1596 CB ASP A 100 9.951 3.526 -17.805 1.00 0.00 C ATOM 1597 CG ASP A 100 10.724 4.573 -18.630 1.00 0.00 C ATOM 1598 OD1 ASP A 100 11.726 5.101 -18.151 1.00 0.00 O ATOM 1599 OD2 ASP A 100 10.297 4.855 -19.750 1.00 0.00 O ATOM 0 H ASP A 100 9.587 0.491 -18.416 1.00 0.00 H new ATOM 0 HA ASP A 100 11.252 1.973 -18.624 1.00 0.00 H new ATOM 0 HB2 ASP A 100 8.964 3.384 -18.245 1.00 0.00 H new ATOM 0 HB3 ASP A 100 9.798 3.910 -16.796 1.00 0.00 H new ATOM 1604 N GLY A 101 11.778 0.975 -15.860 1.00 0.00 N ATOM 1605 CA GLY A 101 12.695 0.855 -14.727 1.00 0.00 C ATOM 1606 C GLY A 101 12.158 -0.041 -13.603 1.00 0.00 C ATOM 1607 O GLY A 101 12.913 -0.482 -12.747 1.00 0.00 O ATOM 0 H GLY A 101 11.233 0.138 -16.068 1.00 0.00 H new ATOM 0 HA2 GLY A 101 13.646 0.454 -15.079 1.00 0.00 H new ATOM 0 HA3 GLY A 101 12.897 1.848 -14.325 1.00 0.00 H new ATOM 1611 N LEU A 102 10.824 -0.285 -13.643 1.00 0.00 N ATOM 1612 CA LEU A 102 10.190 -1.144 -12.638 1.00 0.00 C ATOM 1613 C LEU A 102 10.739 -2.583 -12.756 1.00 0.00 C ATOM 1614 O LEU A 102 11.360 -3.108 -11.843 1.00 0.00 O ATOM 1615 CB LEU A 102 8.657 -1.132 -12.821 1.00 0.00 C ATOM 1616 CG LEU A 102 7.942 0.189 -12.474 1.00 0.00 C ATOM 1617 CD1 LEU A 102 6.430 -0.029 -12.521 1.00 0.00 C ATOM 1618 CD2 LEU A 102 8.296 0.735 -11.084 1.00 0.00 C ATOM 0 H LEU A 102 10.189 0.094 -14.345 1.00 0.00 H new ATOM 0 HA LEU A 102 10.422 -0.762 -11.644 1.00 0.00 H new ATOM 0 HB2 LEU A 102 8.434 -1.381 -13.858 1.00 0.00 H new ATOM 0 HB3 LEU A 102 8.232 -1.924 -12.205 1.00 0.00 H new ATOM 0 HG LEU A 102 8.276 0.919 -13.211 1.00 0.00 H new ATOM 0 HD11 LEU A 102 5.920 0.903 -12.276 1.00 0.00 H new ATOM 0 HD12 LEU A 102 6.140 -0.349 -13.522 1.00 0.00 H new ATOM 0 HD13 LEU A 102 6.150 -0.796 -11.799 1.00 0.00 H new ATOM 0 HD21 LEU A 102 7.756 1.666 -10.910 1.00 0.00 H new ATOM 0 HD22 LEU A 102 8.016 0.005 -10.324 1.00 0.00 H new ATOM 0 HD23 LEU A 102 9.368 0.923 -11.029 1.00 0.00 H new ATOM 1630 N CYS A 103 10.459 -3.139 -13.957 1.00 0.00 N ATOM 1631 CA CYS A 103 10.821 -4.484 -14.421 1.00 0.00 C ATOM 1632 C CYS A 103 9.725 -5.027 -15.362 1.00 0.00 C ATOM 1633 O CYS A 103 9.979 -5.816 -16.265 1.00 0.00 O ATOM 1634 CB CYS A 103 11.127 -5.502 -13.304 1.00 0.00 C ATOM 1635 SG CYS A 103 9.800 -5.783 -12.108 1.00 0.00 S ATOM 0 H CYS A 103 9.941 -2.622 -14.668 1.00 0.00 H new ATOM 0 HA CYS A 103 11.763 -4.365 -14.956 1.00 0.00 H new ATOM 0 HB2 CYS A 103 11.381 -6.456 -13.767 1.00 0.00 H new ATOM 0 HB3 CYS A 103 12.012 -5.165 -12.764 1.00 0.00 H new ATOM 0 HG CYS A 103 8.729 -5.154 -12.492 1.00 0.00 H new ATOM 1641 N GLN A 104 8.498 -4.530 -15.094 1.00 0.00 N ATOM 1642 CA GLN A 104 7.310 -4.892 -15.846 1.00 0.00 C ATOM 1643 C GLN A 104 6.853 -3.638 -16.587 1.00 0.00 C ATOM 1644 O GLN A 104 7.602 -3.012 -17.325 1.00 0.00 O ATOM 1645 CB GLN A 104 6.295 -5.530 -14.858 1.00 0.00 C ATOM 1646 CG GLN A 104 6.865 -6.701 -14.023 1.00 0.00 C ATOM 1647 CD GLN A 104 6.763 -6.436 -12.509 1.00 0.00 C ATOM 1648 OE1 GLN A 104 6.931 -5.325 -12.027 1.00 0.00 O ATOM 1649 NE2 GLN A 104 6.456 -7.523 -11.795 1.00 0.00 N ATOM 0 H GLN A 104 8.319 -3.864 -14.343 1.00 0.00 H new ATOM 0 HA GLN A 104 7.464 -5.650 -16.614 1.00 0.00 H new ATOM 0 HB2 GLN A 104 5.933 -4.758 -14.179 1.00 0.00 H new ATOM 0 HB3 GLN A 104 5.433 -5.888 -15.422 1.00 0.00 H new ATOM 0 HG2 GLN A 104 6.326 -7.616 -14.268 1.00 0.00 H new ATOM 0 HG3 GLN A 104 7.908 -6.864 -14.293 1.00 0.00 H new ATOM 0 HE21 GLN A 104 6.330 -8.421 -12.262 1.00 0.00 H new ATOM 0 HE22 GLN A 104 6.348 -7.455 -10.783 1.00 0.00 H new ATOM 1658 N LYS A 105 5.567 -3.383 -16.345 1.00 0.00 N ATOM 1659 CA LYS A 105 4.700 -2.320 -16.813 1.00 0.00 C ATOM 1660 C LYS A 105 3.341 -2.618 -16.192 1.00 0.00 C ATOM 1661 O LYS A 105 3.295 -3.376 -15.239 1.00 0.00 O ATOM 1662 CB LYS A 105 4.655 -2.401 -18.335 1.00 0.00 C ATOM 1663 CG LYS A 105 3.756 -3.475 -18.989 1.00 0.00 C ATOM 1664 CD LYS A 105 4.583 -4.616 -19.574 1.00 0.00 C ATOM 1665 CE LYS A 105 5.288 -4.160 -20.846 1.00 0.00 C ATOM 1666 NZ LYS A 105 6.163 -5.200 -21.378 1.00 0.00 N ATOM 0 H LYS A 105 5.046 -4.009 -15.731 1.00 0.00 H new ATOM 0 HA LYS A 105 5.030 -1.318 -16.540 1.00 0.00 H new ATOM 0 HB2 LYS A 105 4.336 -1.428 -18.710 1.00 0.00 H new ATOM 0 HB3 LYS A 105 5.674 -2.561 -18.689 1.00 0.00 H new ATOM 0 HG2 LYS A 105 3.062 -3.870 -18.248 1.00 0.00 H new ATOM 0 HG3 LYS A 105 3.156 -3.018 -19.776 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.318 -4.953 -18.843 1.00 0.00 H new ATOM 0 HD3 LYS A 105 3.938 -5.467 -19.793 1.00 0.00 H new ATOM 0 HE2 LYS A 105 4.546 -3.889 -21.597 1.00 0.00 H new ATOM 0 HE3 LYS A 105 5.872 -3.264 -20.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 6.626 -4.855 -22.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 6.886 -5.441 -20.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 5.601 -6.046 -21.600 1.00 0.00 H new ATOM 1680 N LEU A 106 2.257 -2.024 -16.741 1.00 0.00 N ATOM 1681 CA LEU A 106 0.917 -2.347 -16.249 1.00 0.00 C ATOM 1682 C LEU A 106 0.160 -3.026 -17.380 1.00 0.00 C ATOM 1683 O LEU A 106 0.534 -2.942 -18.543 1.00 0.00 O ATOM 1684 CB LEU A 106 0.030 -1.166 -15.815 1.00 0.00 C ATOM 1685 CG LEU A 106 0.650 -0.153 -14.859 1.00 0.00 C ATOM 1686 CD1 LEU A 106 -0.394 0.473 -13.930 1.00 0.00 C ATOM 1687 CD2 LEU A 106 1.685 -0.773 -13.954 1.00 0.00 C ATOM 0 H LEU A 106 2.288 -1.342 -17.499 1.00 0.00 H new ATOM 0 HA LEU A 106 1.094 -2.951 -15.359 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -0.290 -0.635 -16.711 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -0.867 -1.570 -15.346 1.00 0.00 H new ATOM 0 HG LEU A 106 1.102 0.596 -15.510 1.00 0.00 H new ATOM 0 HD11 LEU A 106 0.092 1.188 -13.266 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -1.150 0.986 -14.525 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -0.868 -0.309 -13.336 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.095 -0.009 -13.293 1.00 0.00 H new ATOM 0 HD22 LEU A 106 1.222 -1.559 -13.357 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.487 -1.200 -14.557 1.00 0.00 H new ATOM 1699 N THR A 107 -0.919 -3.696 -16.957 1.00 0.00 N ATOM 1700 CA THR A 107 -1.767 -4.368 -17.922 1.00 0.00 C ATOM 1701 C THR A 107 -3.214 -4.202 -17.498 1.00 0.00 C ATOM 1702 O THR A 107 -3.993 -3.505 -18.135 1.00 0.00 O ATOM 1703 CB THR A 107 -1.373 -5.862 -18.100 1.00 0.00 C ATOM 1704 OG1 THR A 107 -1.722 -6.858 -17.080 1.00 0.00 O ATOM 1705 CG2 THR A 107 0.119 -5.961 -18.525 1.00 0.00 C ATOM 0 H THR A 107 -1.211 -3.781 -15.983 1.00 0.00 H new ATOM 0 HA THR A 107 -1.631 -3.911 -18.902 1.00 0.00 H new ATOM 0 HB THR A 107 -2.059 -6.182 -18.885 1.00 0.00 H new ATOM 0 HG1 THR A 107 -0.976 -7.483 -16.965 1.00 0.00 H new ATOM 0 HG21 THR A 107 0.393 -7.009 -18.649 1.00 0.00 H new ATOM 0 HG22 THR A 107 0.265 -5.434 -19.468 1.00 0.00 H new ATOM 0 HG23 THR A 107 0.747 -5.510 -17.756 1.00 0.00 H new ATOM 1713 N LEU A 108 -3.507 -4.875 -16.366 1.00 0.00 N ATOM 1714 CA LEU A 108 -4.870 -4.813 -15.848 1.00 0.00 C ATOM 1715 C LEU A 108 -4.831 -4.774 -14.311 1.00 0.00 C ATOM 1716 O LEU A 108 -4.500 -5.771 -13.696 1.00 0.00 O ATOM 1717 CB LEU A 108 -5.644 -6.072 -16.247 1.00 0.00 C ATOM 1718 CG LEU A 108 -5.585 -6.459 -17.729 1.00 0.00 C ATOM 1719 CD1 LEU A 108 -5.901 -7.944 -17.919 1.00 0.00 C ATOM 1720 CD2 LEU A 108 -6.523 -5.567 -18.550 1.00 0.00 C ATOM 0 H LEU A 108 -2.851 -5.437 -15.824 1.00 0.00 H new ATOM 0 HA LEU A 108 -5.351 -3.923 -16.255 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -5.266 -6.908 -15.659 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -6.689 -5.934 -15.970 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.570 -6.298 -18.093 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -5.853 -8.194 -18.979 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -5.174 -8.544 -17.372 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -6.902 -8.154 -17.542 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -6.471 -5.853 -19.600 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -7.545 -5.687 -18.192 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -6.221 -4.525 -18.442 1.00 0.00 H new ATOM 1732 N PRO A 109 -5.203 -3.632 -13.687 1.00 0.00 N ATOM 1733 CA PRO A 109 -5.185 -3.520 -12.231 1.00 0.00 C ATOM 1734 C PRO A 109 -6.354 -4.334 -11.646 1.00 0.00 C ATOM 1735 O PRO A 109 -7.481 -3.881 -11.494 1.00 0.00 O ATOM 1736 CB PRO A 109 -5.364 -2.021 -11.992 1.00 0.00 C ATOM 1737 CG PRO A 109 -6.144 -1.533 -13.221 1.00 0.00 C ATOM 1738 CD PRO A 109 -5.742 -2.474 -14.365 1.00 0.00 C ATOM 0 HA PRO A 109 -4.279 -3.903 -11.761 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -5.912 -1.828 -11.070 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -4.403 -1.514 -11.904 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -7.219 -1.569 -13.043 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -5.895 -0.499 -13.458 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -6.598 -2.737 -14.986 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -5.002 -2.014 -15.020 1.00 0.00 H new ATOM 1746 N CYS A 110 -5.939 -5.575 -11.334 1.00 0.00 N ATOM 1747 CA CYS A 110 -6.764 -6.638 -10.782 1.00 0.00 C ATOM 1748 C CYS A 110 -8.121 -6.794 -11.516 1.00 0.00 C ATOM 1749 O CYS A 110 -8.201 -6.744 -12.738 1.00 0.00 O ATOM 1750 CB CYS A 110 -6.827 -6.505 -9.259 1.00 0.00 C ATOM 1751 SG CYS A 110 -7.374 -7.999 -8.395 1.00 0.00 S ATOM 0 H CYS A 110 -4.971 -5.867 -11.471 1.00 0.00 H new ATOM 0 HA CYS A 110 -6.294 -7.603 -10.974 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -5.839 -6.229 -8.890 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -7.502 -5.687 -9.006 1.00 0.00 H new ATOM 0 HG CYS A 110 -7.813 -7.681 -7.214 1.00 0.00 H new ATOM 1757 N VAL A 111 -9.157 -6.980 -10.678 1.00 0.00 N ATOM 1758 CA VAL A 111 -10.536 -7.165 -11.120 1.00 0.00 C ATOM 1759 C VAL A 111 -11.441 -6.307 -10.199 1.00 0.00 C ATOM 1760 O VAL A 111 -11.379 -5.083 -10.224 1.00 0.00 O ATOM 1761 CB VAL A 111 -10.852 -8.686 -11.146 1.00 0.00 C ATOM 1762 CG1 VAL A 111 -10.286 -9.346 -12.411 1.00 0.00 C ATOM 1763 CG2 VAL A 111 -10.317 -9.430 -9.905 1.00 0.00 C ATOM 0 H VAL A 111 -9.050 -7.005 -9.664 1.00 0.00 H new ATOM 0 HA VAL A 111 -10.718 -6.820 -12.138 1.00 0.00 H new ATOM 0 HB VAL A 111 -11.939 -8.765 -11.143 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -10.522 -10.410 -12.403 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -10.729 -8.883 -13.293 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -9.204 -9.214 -12.437 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -10.568 -10.488 -9.979 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -9.234 -9.316 -9.851 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -10.771 -9.012 -9.006 1.00 0.00 H new