USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 575 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 50 TYR OH : rot 114:sc= 0.475 USER MOD Set 1.2: A 70 ASN :FLIP amide:sc= -0.276 F(o=-1.8,f=0.2) USER MOD Single : A 6 THR OG1 : rot 137:sc= -0.585 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 25:sc= 0.633 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl -129:sc= -9.98! (180deg=-14.6!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0368 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -129:sc= -1.12! (180deg=-2.92!) USER MOD Single : A 31 LYS NZ :NH3+ 166:sc= -0.105 (180deg=-0.416) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -5.19 K(o=-5.2,f=-10!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= -0.259 USER MOD Single : A 64 TYR OH : rot 153:sc= 1.29 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 60 N ILE A 5 58.211 2.281 -4.586 1.00 0.00 N ATOM 61 CA ILE A 5 59.651 2.247 -4.520 1.00 0.00 C ATOM 62 C ILE A 5 60.089 1.016 -5.300 1.00 0.00 C ATOM 63 O ILE A 5 59.296 0.104 -5.462 1.00 0.00 O ATOM 64 CB ILE A 5 60.085 2.227 -3.031 1.00 0.00 C ATOM 65 CG1 ILE A 5 60.519 3.632 -2.592 1.00 0.00 C ATOM 66 CG2 ILE A 5 61.206 1.244 -2.775 1.00 0.00 C ATOM 67 CD1 ILE A 5 61.563 3.658 -1.477 1.00 0.00 C ATOM 0 HA ILE A 5 60.125 3.124 -4.961 1.00 0.00 H new ATOM 0 HB ILE A 5 59.223 1.904 -2.447 1.00 0.00 H new ATOM 0 HG12 ILE A 5 60.918 4.161 -3.457 1.00 0.00 H new ATOM 0 HG13 ILE A 5 59.639 4.182 -2.260 1.00 0.00 H new ATOM 0 HG21 ILE A 5 61.475 1.266 -1.719 1.00 0.00 H new ATOM 0 HG22 ILE A 5 60.878 0.240 -3.045 1.00 0.00 H new ATOM 0 HG23 ILE A 5 62.073 1.517 -3.376 1.00 0.00 H new ATOM 0 HD11 ILE A 5 61.809 4.691 -1.233 1.00 0.00 H new ATOM 0 HD12 ILE A 5 61.164 3.161 -0.593 1.00 0.00 H new ATOM 0 HD13 ILE A 5 62.463 3.140 -1.809 1.00 0.00 H new ATOM 79 N THR A 6 61.365 1.013 -5.732 1.00 0.00 N ATOM 80 CA THR A 6 61.970 -0.146 -6.370 1.00 0.00 C ATOM 81 C THR A 6 63.340 -0.379 -5.729 1.00 0.00 C ATOM 82 O THR A 6 64.219 0.460 -5.832 1.00 0.00 O ATOM 83 CB THR A 6 62.117 0.137 -7.874 1.00 0.00 C ATOM 84 OG1 THR A 6 60.874 0.425 -8.465 1.00 0.00 O ATOM 85 CG2 THR A 6 62.740 -1.018 -8.670 1.00 0.00 C ATOM 0 H THR A 6 61.992 1.813 -5.644 1.00 0.00 H new ATOM 0 HA THR A 6 61.353 -1.035 -6.240 1.00 0.00 H new ATOM 0 HB THR A 6 62.789 0.994 -7.920 1.00 0.00 H new ATOM 0 HG1 THR A 6 60.971 1.183 -9.079 1.00 0.00 H new ATOM 0 HG21 THR A 6 62.809 -0.740 -9.722 1.00 0.00 H new ATOM 0 HG22 THR A 6 63.737 -1.229 -8.284 1.00 0.00 H new ATOM 0 HG23 THR A 6 62.117 -1.907 -8.570 1.00 0.00 H new ATOM 93 N LEU A 7 63.497 -1.528 -5.045 1.00 0.00 N ATOM 94 CA LEU A 7 64.774 -1.873 -4.436 1.00 0.00 C ATOM 95 C LEU A 7 65.369 -3.087 -5.162 1.00 0.00 C ATOM 96 O LEU A 7 64.707 -3.725 -5.972 1.00 0.00 O ATOM 97 CB LEU A 7 64.617 -2.205 -2.954 1.00 0.00 C ATOM 98 CG LEU A 7 63.794 -1.223 -2.117 1.00 0.00 C ATOM 99 CD1 LEU A 7 64.039 0.235 -2.488 1.00 0.00 C ATOM 100 CD2 LEU A 7 62.317 -1.608 -2.125 1.00 0.00 C ATOM 0 H LEU A 7 62.759 -2.219 -4.907 1.00 0.00 H new ATOM 0 HA LEU A 7 65.435 -1.011 -4.525 1.00 0.00 H new ATOM 0 HB2 LEU A 7 64.159 -3.191 -2.872 1.00 0.00 H new ATOM 0 HB3 LEU A 7 65.611 -2.278 -2.514 1.00 0.00 H new ATOM 0 HG LEU A 7 64.142 -1.304 -1.087 1.00 0.00 H new ATOM 0 HD11 LEU A 7 63.425 0.879 -1.858 1.00 0.00 H new ATOM 0 HD12 LEU A 7 65.091 0.477 -2.338 1.00 0.00 H new ATOM 0 HD13 LEU A 7 63.776 0.394 -3.534 1.00 0.00 H new ATOM 0 HD21 LEU A 7 61.752 -0.896 -1.524 1.00 0.00 H new ATOM 0 HD22 LEU A 7 61.943 -1.595 -3.149 1.00 0.00 H new ATOM 0 HD23 LEU A 7 62.199 -2.608 -1.708 1.00 0.00 H new ATOM 112 N LYS A 8 66.642 -3.370 -4.811 1.00 0.00 N ATOM 113 CA LYS A 8 67.367 -4.463 -5.433 1.00 0.00 C ATOM 114 C LYS A 8 68.496 -4.927 -4.519 1.00 0.00 C ATOM 115 O LYS A 8 69.302 -4.138 -4.060 1.00 0.00 O ATOM 116 CB LYS A 8 67.966 -3.986 -6.761 1.00 0.00 C ATOM 117 CG LYS A 8 68.389 -5.125 -7.702 1.00 0.00 C ATOM 118 CD LYS A 8 68.369 -4.735 -9.194 1.00 0.00 C ATOM 119 CE LYS A 8 69.724 -4.821 -9.904 1.00 0.00 C ATOM 120 NZ LYS A 8 69.765 -5.948 -10.829 1.00 0.00 N ATOM 0 H LYS A 8 67.171 -2.855 -4.107 1.00 0.00 H new ATOM 0 HA LYS A 8 66.679 -5.290 -5.609 1.00 0.00 H new ATOM 0 HB2 LYS A 8 67.236 -3.359 -7.272 1.00 0.00 H new ATOM 0 HB3 LYS A 8 68.834 -3.360 -6.552 1.00 0.00 H new ATOM 0 HG2 LYS A 8 69.394 -5.452 -7.434 1.00 0.00 H new ATOM 0 HG3 LYS A 8 67.726 -5.976 -7.549 1.00 0.00 H new ATOM 0 HD2 LYS A 8 67.662 -5.382 -9.714 1.00 0.00 H new ATOM 0 HD3 LYS A 8 67.993 -3.716 -9.283 1.00 0.00 H new ATOM 0 HE2 LYS A 8 69.912 -3.895 -10.447 1.00 0.00 H new ATOM 0 HE3 LYS A 8 70.519 -4.925 -9.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 70.694 -5.981 -11.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 69.609 -6.833 -10.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 69.021 -5.835 -11.547 1.00 0.00 H new ATOM 218 N THR A 14 64.993 -8.343 -6.986 1.00 0.00 N ATOM 219 CA THR A 14 64.536 -6.979 -7.209 1.00 0.00 C ATOM 220 C THR A 14 63.024 -6.922 -6.965 1.00 0.00 C ATOM 221 O THR A 14 62.257 -7.657 -7.577 1.00 0.00 O ATOM 222 CB THR A 14 64.850 -6.523 -8.650 1.00 0.00 C ATOM 223 OG1 THR A 14 65.942 -7.240 -9.170 1.00 0.00 O ATOM 224 CG2 THR A 14 65.155 -5.027 -8.721 1.00 0.00 C ATOM 0 HA THR A 14 65.055 -6.310 -6.522 1.00 0.00 H new ATOM 0 HB THR A 14 63.960 -6.723 -9.246 1.00 0.00 H new ATOM 0 HG1 THR A 14 66.017 -8.101 -8.709 1.00 0.00 H new ATOM 0 HG21 THR A 14 65.370 -4.748 -9.752 1.00 0.00 H new ATOM 0 HG22 THR A 14 64.293 -4.463 -8.365 1.00 0.00 H new ATOM 0 HG23 THR A 14 66.019 -4.802 -8.096 1.00 0.00 H new ATOM 232 N PHE A 15 62.648 -6.013 -6.047 1.00 0.00 N ATOM 233 CA PHE A 15 61.252 -5.834 -5.667 1.00 0.00 C ATOM 234 C PHE A 15 60.961 -4.342 -5.550 1.00 0.00 C ATOM 235 O PHE A 15 61.784 -3.513 -5.917 1.00 0.00 O ATOM 236 CB PHE A 15 60.985 -6.578 -4.352 1.00 0.00 C ATOM 237 CG PHE A 15 62.137 -6.466 -3.390 1.00 0.00 C ATOM 238 CD1 PHE A 15 62.408 -5.280 -2.721 1.00 0.00 C ATOM 239 CD2 PHE A 15 62.926 -7.579 -3.130 1.00 0.00 C ATOM 240 CE1 PHE A 15 63.429 -5.230 -1.782 1.00 0.00 C ATOM 241 CE2 PHE A 15 63.944 -7.522 -2.189 1.00 0.00 C ATOM 242 CZ PHE A 15 64.187 -6.347 -1.502 1.00 0.00 C ATOM 0 H PHE A 15 63.298 -5.396 -5.560 1.00 0.00 H new ATOM 0 HA PHE A 15 60.586 -6.251 -6.423 1.00 0.00 H new ATOM 0 HB2 PHE A 15 60.085 -6.177 -3.886 1.00 0.00 H new ATOM 0 HB3 PHE A 15 60.792 -7.630 -4.564 1.00 0.00 H new ATOM 0 HD1 PHE A 15 61.824 -4.396 -2.931 1.00 0.00 H new ATOM 0 HD2 PHE A 15 62.745 -8.499 -3.666 1.00 0.00 H new ATOM 0 HE1 PHE A 15 63.632 -4.304 -1.264 1.00 0.00 H new ATOM 0 HE2 PHE A 15 64.547 -8.396 -1.993 1.00 0.00 H new ATOM 0 HZ PHE A 15 64.964 -6.305 -0.753 1.00 0.00 H new ATOM 252 N LYS A 16 59.748 -4.060 -5.027 1.00 0.00 N ATOM 253 CA LYS A 16 59.232 -2.716 -4.862 1.00 0.00 C ATOM 254 C LYS A 16 58.329 -2.673 -3.621 1.00 0.00 C ATOM 255 O LYS A 16 57.788 -3.693 -3.206 1.00 0.00 O ATOM 256 CB LYS A 16 58.394 -2.375 -6.104 1.00 0.00 C ATOM 257 CG LYS A 16 59.231 -2.058 -7.357 1.00 0.00 C ATOM 258 CD LYS A 16 58.616 -2.615 -8.625 1.00 0.00 C ATOM 259 CE LYS A 16 57.199 -2.081 -8.858 1.00 0.00 C ATOM 260 NZ LYS A 16 56.279 -3.156 -9.187 1.00 0.00 N ATOM 0 H LYS A 16 59.103 -4.783 -4.708 1.00 0.00 H new ATOM 0 HA LYS A 16 60.049 -2.004 -4.742 1.00 0.00 H new ATOM 0 HB2 LYS A 16 57.732 -3.213 -6.324 1.00 0.00 H new ATOM 0 HB3 LYS A 16 57.759 -1.518 -5.877 1.00 0.00 H new ATOM 0 HG2 LYS A 16 59.338 -0.978 -7.454 1.00 0.00 H new ATOM 0 HG3 LYS A 16 60.233 -2.468 -7.233 1.00 0.00 H new ATOM 0 HD2 LYS A 16 59.245 -2.357 -9.477 1.00 0.00 H new ATOM 0 HD3 LYS A 16 58.588 -3.703 -8.567 1.00 0.00 H new ATOM 0 HE2 LYS A 16 56.852 -1.563 -7.964 1.00 0.00 H new ATOM 0 HE3 LYS A 16 57.212 -1.350 -9.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 55.328 -2.764 -9.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 56.599 -3.634 -10.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 56.250 -3.840 -8.404 1.00 0.00 H new ATOM 274 N ILE A 17 58.202 -1.447 -3.061 1.00 0.00 N ATOM 275 CA ILE A 17 57.420 -1.253 -1.840 1.00 0.00 C ATOM 276 C ILE A 17 56.500 -0.047 -1.997 1.00 0.00 C ATOM 277 O ILE A 17 56.775 0.860 -2.763 1.00 0.00 O ATOM 278 CB ILE A 17 58.353 -1.021 -0.647 1.00 0.00 C ATOM 279 CG1 ILE A 17 59.465 -2.079 -0.589 1.00 0.00 C ATOM 280 CG2 ILE A 17 57.560 -0.978 0.655 1.00 0.00 C ATOM 281 CD1 ILE A 17 59.022 -3.497 -0.217 1.00 0.00 C ATOM 0 H ILE A 17 58.626 -0.598 -3.435 1.00 0.00 H new ATOM 0 HA ILE A 17 56.823 -2.148 -1.664 1.00 0.00 H new ATOM 0 HB ILE A 17 58.836 -0.053 -0.782 1.00 0.00 H new ATOM 0 HG12 ILE A 17 59.955 -2.116 -1.562 1.00 0.00 H new ATOM 0 HG13 ILE A 17 60.213 -1.752 0.133 1.00 0.00 H new ATOM 0 HG21 ILE A 17 58.241 -0.812 1.490 1.00 0.00 H new ATOM 0 HG22 ILE A 17 56.834 -0.166 0.612 1.00 0.00 H new ATOM 0 HG23 ILE A 17 57.038 -1.925 0.795 1.00 0.00 H new ATOM 0 HD11 ILE A 17 59.889 -4.158 -0.207 1.00 0.00 H new ATOM 0 HD12 ILE A 17 58.562 -3.487 0.771 1.00 0.00 H new ATOM 0 HD13 ILE A 17 58.300 -3.857 -0.950 1.00 0.00 H new ATOM 293 N ARG A 18 55.402 -0.079 -1.213 1.00 0.00 N ATOM 294 CA ARG A 18 54.420 0.983 -1.215 1.00 0.00 C ATOM 295 C ARG A 18 54.621 1.930 -0.015 1.00 0.00 C ATOM 296 O ARG A 18 53.813 1.984 0.905 1.00 0.00 O ATOM 297 CB ARG A 18 53.030 0.353 -1.135 1.00 0.00 C ATOM 298 CG ARG A 18 51.934 1.337 -1.563 1.00 0.00 C ATOM 299 CD ARG A 18 50.673 1.233 -0.701 1.00 0.00 C ATOM 300 NE ARG A 18 49.523 0.902 -1.526 1.00 0.00 N ATOM 301 CZ ARG A 18 48.278 0.857 -1.008 1.00 0.00 C ATOM 302 NH1 ARG A 18 48.060 1.125 0.277 1.00 0.00 N ATOM 303 NH2 ARG A 18 47.257 0.539 -1.796 1.00 0.00 N ATOM 0 H ARG A 18 55.188 -0.843 -0.572 1.00 0.00 H new ATOM 0 HA ARG A 18 54.530 1.567 -2.128 1.00 0.00 H new ATOM 0 HB2 ARG A 18 52.994 -0.531 -1.772 1.00 0.00 H new ATOM 0 HB3 ARG A 18 52.840 0.019 -0.115 1.00 0.00 H new ATOM 0 HG2 ARG A 18 52.323 2.354 -1.508 1.00 0.00 H new ATOM 0 HG3 ARG A 18 51.673 1.152 -2.605 1.00 0.00 H new ATOM 0 HD2 ARG A 18 50.810 0.471 0.066 1.00 0.00 H new ATOM 0 HD3 ARG A 18 50.499 2.177 -0.184 1.00 0.00 H new ATOM 0 HE ARG A 18 49.660 0.700 -2.516 1.00 0.00 H new ATOM 0 HH11 ARG A 18 48.841 1.369 0.887 1.00 0.00 H new ATOM 0 HH12 ARG A 18 47.112 1.086 0.652 1.00 0.00 H new ATOM 0 HH21 ARG A 18 47.419 0.332 -2.782 1.00 0.00 H new ATOM 0 HH22 ARG A 18 46.311 0.502 -1.415 1.00 0.00 H new ATOM 317 N MET A 19 55.737 2.673 -0.088 1.00 0.00 N ATOM 318 CA MET A 19 56.078 3.622 0.960 1.00 0.00 C ATOM 319 C MET A 19 55.926 5.051 0.438 1.00 0.00 C ATOM 320 O MET A 19 55.548 5.264 -0.705 1.00 0.00 O ATOM 321 CB MET A 19 57.519 3.389 1.360 1.00 0.00 C ATOM 322 CG MET A 19 58.497 3.621 0.191 1.00 0.00 C ATOM 323 SD MET A 19 59.574 5.016 0.543 1.00 0.00 S ATOM 324 CE MET A 19 60.162 4.491 2.161 1.00 0.00 C ATOM 0 H MET A 19 56.406 2.629 -0.857 1.00 0.00 H new ATOM 0 HA MET A 19 55.416 3.485 1.815 1.00 0.00 H new ATOM 0 HB2 MET A 19 57.777 4.055 2.184 1.00 0.00 H new ATOM 0 HB3 MET A 19 57.631 2.369 1.727 1.00 0.00 H new ATOM 0 HG2 MET A 19 59.095 2.725 0.025 1.00 0.00 H new ATOM 0 HG3 MET A 19 57.939 3.807 -0.727 1.00 0.00 H new ATOM 0 HE1 MET A 19 60.032 5.303 2.876 1.00 0.00 H new ATOM 0 HE2 MET A 19 59.592 3.622 2.491 1.00 0.00 H new ATOM 0 HE3 MET A 19 61.218 4.229 2.097 1.00 0.00 H new ATOM 334 N GLU A 20 56.259 6.005 1.343 1.00 0.00 N ATOM 335 CA GLU A 20 56.134 7.421 1.031 1.00 0.00 C ATOM 336 C GLU A 20 57.536 8.061 1.009 1.00 0.00 C ATOM 337 O GLU A 20 58.355 7.774 1.868 1.00 0.00 O ATOM 338 CB GLU A 20 55.221 8.105 2.064 1.00 0.00 C ATOM 339 CG GLU A 20 54.217 9.086 1.413 1.00 0.00 C ATOM 340 CD GLU A 20 54.431 10.552 1.815 1.00 0.00 C ATOM 341 OE1 GLU A 20 54.672 10.804 2.992 1.00 0.00 O ATOM 342 OE2 GLU A 20 54.333 11.426 0.955 1.00 0.00 O ATOM 0 H GLU A 20 56.611 5.807 2.280 1.00 0.00 H new ATOM 0 HA GLU A 20 55.680 7.549 0.048 1.00 0.00 H new ATOM 0 HB2 GLU A 20 54.672 7.344 2.619 1.00 0.00 H new ATOM 0 HB3 GLU A 20 55.835 8.644 2.785 1.00 0.00 H new ATOM 0 HG2 GLU A 20 54.293 9.002 0.329 1.00 0.00 H new ATOM 0 HG3 GLU A 20 53.204 8.789 1.686 1.00 0.00 H new ATOM 349 N PRO A 21 57.795 8.957 0.000 1.00 0.00 N ATOM 350 CA PRO A 21 59.069 9.670 -0.077 1.00 0.00 C ATOM 351 C PRO A 21 59.392 10.583 1.114 1.00 0.00 C ATOM 352 O PRO A 21 60.507 11.055 1.260 1.00 0.00 O ATOM 353 CB PRO A 21 58.955 10.539 -1.344 1.00 0.00 C ATOM 354 CG PRO A 21 57.841 9.895 -2.153 1.00 0.00 C ATOM 355 CD PRO A 21 56.910 9.266 -1.114 1.00 0.00 C ATOM 0 HA PRO A 21 59.874 8.935 -0.084 1.00 0.00 H new ATOM 0 HB2 PRO A 21 58.717 11.573 -1.095 1.00 0.00 H new ATOM 0 HB3 PRO A 21 59.892 10.553 -1.901 1.00 0.00 H new ATOM 0 HG2 PRO A 21 57.315 10.633 -2.758 1.00 0.00 H new ATOM 0 HG3 PRO A 21 58.234 9.143 -2.837 1.00 0.00 H new ATOM 0 HD2 PRO A 21 56.118 9.954 -0.817 1.00 0.00 H new ATOM 0 HD3 PRO A 21 56.425 8.370 -1.501 1.00 0.00 H new ATOM 363 N ASP A 22 58.364 10.802 1.962 1.00 0.00 N ATOM 364 CA ASP A 22 58.526 11.677 3.109 1.00 0.00 C ATOM 365 C ASP A 22 59.076 10.908 4.320 1.00 0.00 C ATOM 366 O ASP A 22 59.804 11.459 5.135 1.00 0.00 O ATOM 367 CB ASP A 22 57.178 12.321 3.457 1.00 0.00 C ATOM 368 CG ASP A 22 57.340 13.714 4.085 1.00 0.00 C ATOM 369 OD1 ASP A 22 57.912 13.812 5.170 1.00 0.00 O ATOM 370 OD2 ASP A 22 56.890 14.688 3.481 1.00 0.00 O ATOM 0 H ASP A 22 57.437 10.388 1.865 1.00 0.00 H new ATOM 0 HA ASP A 22 59.246 12.455 2.853 1.00 0.00 H new ATOM 0 HB2 ASP A 22 56.572 12.400 2.554 1.00 0.00 H new ATOM 0 HB3 ASP A 22 56.637 11.674 4.148 1.00 0.00 H new ATOM 375 N GLU A 23 58.695 9.603 4.386 1.00 0.00 N ATOM 376 CA GLU A 23 59.153 8.722 5.454 1.00 0.00 C ATOM 377 C GLU A 23 60.684 8.700 5.511 1.00 0.00 C ATOM 378 O GLU A 23 61.366 9.044 4.555 1.00 0.00 O ATOM 379 CB GLU A 23 58.637 7.290 5.232 1.00 0.00 C ATOM 380 CG GLU A 23 57.155 7.139 5.616 1.00 0.00 C ATOM 381 CD GLU A 23 56.942 6.762 7.101 1.00 0.00 C ATOM 382 OE1 GLU A 23 57.880 6.853 7.896 1.00 0.00 O ATOM 383 OE2 GLU A 23 55.827 6.373 7.445 1.00 0.00 O ATOM 0 H GLU A 23 58.076 9.157 3.709 1.00 0.00 H new ATOM 0 HA GLU A 23 58.761 9.105 6.396 1.00 0.00 H new ATOM 0 HB2 GLU A 23 58.769 7.017 4.185 1.00 0.00 H new ATOM 0 HB3 GLU A 23 59.236 6.595 5.821 1.00 0.00 H new ATOM 0 HG2 GLU A 23 56.636 8.075 5.408 1.00 0.00 H new ATOM 0 HG3 GLU A 23 56.700 6.375 4.986 1.00 0.00 H new ATOM 390 N THR A 24 61.156 8.283 6.700 1.00 0.00 N ATOM 391 CA THR A 24 62.586 8.252 6.950 1.00 0.00 C ATOM 392 C THR A 24 63.221 6.940 6.489 1.00 0.00 C ATOM 393 O THR A 24 64.288 6.598 6.975 1.00 0.00 O ATOM 394 CB THR A 24 62.919 8.565 8.423 1.00 0.00 C ATOM 395 OG1 THR A 24 61.801 8.342 9.246 1.00 0.00 O ATOM 396 CG2 THR A 24 63.436 9.995 8.600 1.00 0.00 C ATOM 0 H THR A 24 60.574 7.972 7.478 1.00 0.00 H new ATOM 0 HA THR A 24 63.028 9.045 6.348 1.00 0.00 H new ATOM 0 HB THR A 24 63.717 7.886 8.724 1.00 0.00 H new ATOM 0 HG1 THR A 24 62.034 8.545 10.176 1.00 0.00 H new ATOM 0 HG21 THR A 24 63.658 10.174 9.652 1.00 0.00 H new ATOM 0 HG22 THR A 24 64.342 10.130 8.009 1.00 0.00 H new ATOM 0 HG23 THR A 24 62.676 10.701 8.265 1.00 0.00 H new ATOM 404 N VAL A 25 62.589 6.217 5.543 1.00 0.00 N ATOM 405 CA VAL A 25 63.171 4.967 5.043 1.00 0.00 C ATOM 406 C VAL A 25 62.963 3.825 6.057 1.00 0.00 C ATOM 407 O VAL A 25 62.894 2.672 5.676 1.00 0.00 O ATOM 408 CB VAL A 25 64.681 5.063 4.663 1.00 0.00 C ATOM 409 CG1 VAL A 25 65.222 3.803 3.968 1.00 0.00 C ATOM 410 CG2 VAL A 25 65.023 6.299 3.818 1.00 0.00 C ATOM 0 H VAL A 25 61.696 6.473 5.121 1.00 0.00 H new ATOM 0 HA VAL A 25 62.636 4.755 4.117 1.00 0.00 H new ATOM 0 HB VAL A 25 65.181 5.160 5.627 1.00 0.00 H new ATOM 0 HG11 VAL A 25 66.277 3.942 3.733 1.00 0.00 H new ATOM 0 HG12 VAL A 25 65.107 2.945 4.630 1.00 0.00 H new ATOM 0 HG13 VAL A 25 64.666 3.628 3.047 1.00 0.00 H new ATOM 0 HG21 VAL A 25 66.089 6.301 3.591 1.00 0.00 H new ATOM 0 HG22 VAL A 25 64.454 6.273 2.889 1.00 0.00 H new ATOM 0 HG23 VAL A 25 64.769 7.201 4.374 1.00 0.00 H new ATOM 420 N LYS A 26 62.859 4.156 7.364 1.00 0.00 N ATOM 421 CA LYS A 26 62.657 3.128 8.363 1.00 0.00 C ATOM 422 C LYS A 26 61.439 2.277 8.074 1.00 0.00 C ATOM 423 O LYS A 26 61.468 1.067 8.213 1.00 0.00 O ATOM 424 CB LYS A 26 62.516 3.714 9.766 1.00 0.00 C ATOM 425 CG LYS A 26 62.464 2.639 10.855 1.00 0.00 C ATOM 426 CD LYS A 26 62.991 3.161 12.195 1.00 0.00 C ATOM 427 CE LYS A 26 63.631 2.056 13.036 1.00 0.00 C ATOM 428 NZ LYS A 26 64.266 2.577 14.235 1.00 0.00 N ATOM 0 H LYS A 26 62.912 5.108 7.728 1.00 0.00 H new ATOM 0 HA LYS A 26 63.548 2.502 8.319 1.00 0.00 H new ATOM 0 HB2 LYS A 26 63.354 4.383 9.962 1.00 0.00 H new ATOM 0 HB3 LYS A 26 61.609 4.317 9.814 1.00 0.00 H new ATOM 0 HG2 LYS A 26 61.437 2.295 10.977 1.00 0.00 H new ATOM 0 HG3 LYS A 26 63.054 1.777 10.543 1.00 0.00 H new ATOM 0 HD2 LYS A 26 63.724 3.947 12.013 1.00 0.00 H new ATOM 0 HD3 LYS A 26 62.172 3.612 12.755 1.00 0.00 H new ATOM 0 HE2 LYS A 26 62.870 1.328 13.317 1.00 0.00 H new ATOM 0 HE3 LYS A 26 64.371 1.527 12.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 64.686 1.793 14.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 65.011 3.252 13.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 63.556 3.059 14.822 1.00 0.00 H new ATOM 442 N VAL A 27 60.385 2.989 7.639 1.00 0.00 N ATOM 443 CA VAL A 27 59.149 2.322 7.296 1.00 0.00 C ATOM 444 C VAL A 27 59.378 1.281 6.191 1.00 0.00 C ATOM 445 O VAL A 27 58.823 0.195 6.209 1.00 0.00 O ATOM 446 CB VAL A 27 58.077 3.364 6.916 1.00 0.00 C ATOM 447 CG1 VAL A 27 57.939 3.600 5.397 1.00 0.00 C ATOM 448 CG2 VAL A 27 56.718 3.017 7.544 1.00 0.00 C ATOM 0 H VAL A 27 60.377 4.002 7.523 1.00 0.00 H new ATOM 0 HA VAL A 27 58.781 1.775 8.164 1.00 0.00 H new ATOM 0 HB VAL A 27 58.429 4.308 7.331 1.00 0.00 H new ATOM 0 HG11 VAL A 27 57.165 4.346 5.213 1.00 0.00 H new ATOM 0 HG12 VAL A 27 58.888 3.956 4.996 1.00 0.00 H new ATOM 0 HG13 VAL A 27 57.666 2.666 4.907 1.00 0.00 H new ATOM 0 HG21 VAL A 27 55.983 3.769 7.259 1.00 0.00 H new ATOM 0 HG22 VAL A 27 56.393 2.039 7.190 1.00 0.00 H new ATOM 0 HG23 VAL A 27 56.813 2.997 8.630 1.00 0.00 H new ATOM 458 N LEU A 28 60.252 1.687 5.247 1.00 0.00 N ATOM 459 CA LEU A 28 60.601 0.848 4.123 1.00 0.00 C ATOM 460 C LEU A 28 61.262 -0.433 4.576 1.00 0.00 C ATOM 461 O LEU A 28 61.016 -1.506 4.048 1.00 0.00 O ATOM 462 CB LEU A 28 61.622 1.556 3.239 1.00 0.00 C ATOM 463 CG LEU A 28 61.970 0.798 1.983 1.00 0.00 C ATOM 464 CD1 LEU A 28 60.740 0.527 1.144 1.00 0.00 C ATOM 465 CD2 LEU A 28 63.068 1.484 1.190 1.00 0.00 C ATOM 0 H LEU A 28 60.719 2.594 5.257 1.00 0.00 H new ATOM 0 HA LEU A 28 59.674 0.637 3.590 1.00 0.00 H new ATOM 0 HB2 LEU A 28 61.233 2.536 2.964 1.00 0.00 H new ATOM 0 HB3 LEU A 28 62.532 1.724 3.815 1.00 0.00 H new ATOM 0 HG LEU A 28 62.370 -0.169 2.287 1.00 0.00 H new ATOM 0 HD11 LEU A 28 61.026 -0.021 0.246 1.00 0.00 H new ATOM 0 HD12 LEU A 28 60.030 -0.066 1.720 1.00 0.00 H new ATOM 0 HD13 LEU A 28 60.277 1.472 0.861 1.00 0.00 H new ATOM 0 HD21 LEU A 28 63.286 0.903 0.294 1.00 0.00 H new ATOM 0 HD22 LEU A 28 62.740 2.483 0.904 1.00 0.00 H new ATOM 0 HD23 LEU A 28 63.967 1.558 1.802 1.00 0.00 H new ATOM 477 N LYS A 29 62.131 -0.234 5.583 1.00 0.00 N ATOM 478 CA LYS A 29 62.822 -1.350 6.168 1.00 0.00 C ATOM 479 C LYS A 29 61.787 -2.391 6.624 1.00 0.00 C ATOM 480 O LYS A 29 61.943 -3.574 6.390 1.00 0.00 O ATOM 481 CB LYS A 29 63.694 -0.863 7.327 1.00 0.00 C ATOM 482 CG LYS A 29 64.685 0.270 6.999 1.00 0.00 C ATOM 483 CD LYS A 29 66.114 -0.218 6.828 1.00 0.00 C ATOM 484 CE LYS A 29 67.199 0.829 7.116 1.00 0.00 C ATOM 485 NZ LYS A 29 67.866 0.637 8.401 1.00 0.00 N ATOM 0 H LYS A 29 62.355 0.675 5.987 1.00 0.00 H new ATOM 0 HA LYS A 29 63.481 -1.821 5.438 1.00 0.00 H new ATOM 0 HB2 LYS A 29 63.040 -0.525 8.130 1.00 0.00 H new ATOM 0 HB3 LYS A 29 64.259 -1.712 7.712 1.00 0.00 H new ATOM 0 HG2 LYS A 29 64.366 0.770 6.084 1.00 0.00 H new ATOM 0 HG3 LYS A 29 64.654 1.013 7.796 1.00 0.00 H new ATOM 0 HD2 LYS A 29 66.271 -1.072 7.487 1.00 0.00 H new ATOM 0 HD3 LYS A 29 66.239 -0.577 5.806 1.00 0.00 H new ATOM 0 HE2 LYS A 29 67.944 0.798 6.321 1.00 0.00 H new ATOM 0 HE3 LYS A 29 66.750 1.822 7.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 67.859 1.531 8.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 67.366 -0.094 8.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 68.849 0.338 8.241 1.00 0.00 H new ATOM 499 N GLU A 30 60.699 -1.881 7.242 1.00 0.00 N ATOM 500 CA GLU A 30 59.645 -2.740 7.762 1.00 0.00 C ATOM 501 C GLU A 30 58.985 -3.584 6.653 1.00 0.00 C ATOM 502 O GLU A 30 58.660 -4.745 6.849 1.00 0.00 O ATOM 503 CB GLU A 30 58.571 -1.911 8.488 1.00 0.00 C ATOM 504 CG GLU A 30 59.165 -0.923 9.506 1.00 0.00 C ATOM 505 CD GLU A 30 58.103 -0.077 10.235 1.00 0.00 C ATOM 506 OE1 GLU A 30 56.934 -0.463 10.257 1.00 0.00 O ATOM 507 OE2 GLU A 30 58.463 0.970 10.772 1.00 0.00 O ATOM 0 H GLU A 30 60.540 -0.884 7.386 1.00 0.00 H new ATOM 0 HA GLU A 30 60.116 -3.421 8.470 1.00 0.00 H new ATOM 0 HB2 GLU A 30 57.986 -1.359 7.752 1.00 0.00 H new ATOM 0 HB3 GLU A 30 57.884 -2.584 9.001 1.00 0.00 H new ATOM 0 HG2 GLU A 30 59.744 -1.478 10.244 1.00 0.00 H new ATOM 0 HG3 GLU A 30 59.858 -0.257 8.992 1.00 0.00 H new ATOM 514 N LYS A 31 58.816 -2.926 5.487 1.00 0.00 N ATOM 515 CA LYS A 31 58.160 -3.549 4.347 1.00 0.00 C ATOM 516 C LYS A 31 59.032 -4.618 3.678 1.00 0.00 C ATOM 517 O LYS A 31 58.627 -5.756 3.519 1.00 0.00 O ATOM 518 CB LYS A 31 57.818 -2.471 3.326 1.00 0.00 C ATOM 519 CG LYS A 31 56.449 -1.817 3.525 1.00 0.00 C ATOM 520 CD LYS A 31 56.206 -1.337 4.954 1.00 0.00 C ATOM 521 CE LYS A 31 54.819 -0.736 5.159 1.00 0.00 C ATOM 522 NZ LYS A 31 53.803 -1.379 4.337 1.00 0.00 N ATOM 0 H LYS A 31 59.127 -1.969 5.323 1.00 0.00 H new ATOM 0 HA LYS A 31 57.261 -4.045 4.712 1.00 0.00 H new ATOM 0 HB2 LYS A 31 58.585 -1.697 3.363 1.00 0.00 H new ATOM 0 HB3 LYS A 31 57.855 -2.909 2.328 1.00 0.00 H new ATOM 0 HG2 LYS A 31 56.357 -0.970 2.845 1.00 0.00 H new ATOM 0 HG3 LYS A 31 55.671 -2.530 3.252 1.00 0.00 H new ATOM 0 HD2 LYS A 31 56.337 -2.175 5.639 1.00 0.00 H new ATOM 0 HD3 LYS A 31 56.959 -0.593 5.213 1.00 0.00 H new ATOM 0 HE2 LYS A 31 54.541 -0.824 6.209 1.00 0.00 H new ATOM 0 HE3 LYS A 31 54.850 0.328 4.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 52.858 -1.107 4.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 53.915 -1.078 3.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 53.909 -2.412 4.398 1.00 0.00 H new ATOM 536 N ILE A 32 60.245 -4.186 3.276 1.00 0.00 N ATOM 537 CA ILE A 32 61.212 -5.080 2.657 1.00 0.00 C ATOM 538 C ILE A 32 61.526 -6.280 3.556 1.00 0.00 C ATOM 539 O ILE A 32 61.687 -7.400 3.095 1.00 0.00 O ATOM 540 CB ILE A 32 62.502 -4.308 2.342 1.00 0.00 C ATOM 541 CG1 ILE A 32 62.263 -3.372 1.171 1.00 0.00 C ATOM 542 CG2 ILE A 32 63.673 -5.231 2.014 1.00 0.00 C ATOM 543 CD1 ILE A 32 63.187 -2.166 1.181 1.00 0.00 C ATOM 0 H ILE A 32 60.566 -3.223 3.374 1.00 0.00 H new ATOM 0 HA ILE A 32 60.777 -5.462 1.733 1.00 0.00 H new ATOM 0 HB ILE A 32 62.766 -3.746 3.238 1.00 0.00 H new ATOM 0 HG12 ILE A 32 62.400 -3.921 0.239 1.00 0.00 H new ATOM 0 HG13 ILE A 32 61.228 -3.031 1.190 1.00 0.00 H new ATOM 0 HG21 ILE A 32 64.559 -4.633 1.799 1.00 0.00 H new ATOM 0 HG22 ILE A 32 63.872 -5.882 2.865 1.00 0.00 H new ATOM 0 HG23 ILE A 32 63.425 -5.838 1.143 1.00 0.00 H new ATOM 0 HD11 ILE A 32 62.969 -1.534 0.320 1.00 0.00 H new ATOM 0 HD12 ILE A 32 63.033 -1.597 2.098 1.00 0.00 H new ATOM 0 HD13 ILE A 32 64.223 -2.501 1.132 1.00 0.00 H new ATOM 555 N GLU A 33 61.603 -5.963 4.860 1.00 0.00 N ATOM 556 CA GLU A 33 61.848 -6.988 5.852 1.00 0.00 C ATOM 557 C GLU A 33 60.636 -7.914 5.958 1.00 0.00 C ATOM 558 O GLU A 33 60.762 -9.101 6.193 1.00 0.00 O ATOM 559 CB GLU A 33 62.156 -6.349 7.213 1.00 0.00 C ATOM 560 CG GLU A 33 62.847 -7.289 8.201 1.00 0.00 C ATOM 561 CD GLU A 33 61.898 -7.942 9.221 1.00 0.00 C ATOM 562 OE1 GLU A 33 60.807 -8.368 8.855 1.00 0.00 O ATOM 563 OE2 GLU A 33 62.266 -8.011 10.390 1.00 0.00 O ATOM 0 H GLU A 33 61.499 -5.019 5.233 1.00 0.00 H new ATOM 0 HA GLU A 33 62.712 -7.577 5.545 1.00 0.00 H new ATOM 0 HB2 GLU A 33 62.788 -5.475 7.057 1.00 0.00 H new ATOM 0 HB3 GLU A 33 61.225 -5.995 7.655 1.00 0.00 H new ATOM 0 HG2 GLU A 33 63.357 -8.074 7.642 1.00 0.00 H new ATOM 0 HG3 GLU A 33 63.613 -6.732 8.740 1.00 0.00 H new ATOM 570 N ALA A 34 59.443 -7.327 5.765 1.00 0.00 N ATOM 571 CA ALA A 34 58.230 -8.125 5.800 1.00 0.00 C ATOM 572 C ALA A 34 58.122 -9.065 4.584 1.00 0.00 C ATOM 573 O ALA A 34 57.509 -10.122 4.652 1.00 0.00 O ATOM 574 CB ALA A 34 57.007 -7.210 5.883 1.00 0.00 C ATOM 0 H ALA A 34 59.304 -6.332 5.589 1.00 0.00 H new ATOM 0 HA ALA A 34 58.270 -8.754 6.689 1.00 0.00 H new ATOM 0 HB1 ALA A 34 56.101 -7.815 5.909 1.00 0.00 H new ATOM 0 HB2 ALA A 34 57.066 -6.606 6.788 1.00 0.00 H new ATOM 0 HB3 ALA A 34 56.982 -6.556 5.011 1.00 0.00 H new ATOM 580 N GLU A 35 58.763 -8.631 3.479 1.00 0.00 N ATOM 581 CA GLU A 35 58.774 -9.425 2.268 1.00 0.00 C ATOM 582 C GLU A 35 59.715 -10.631 2.434 1.00 0.00 C ATOM 583 O GLU A 35 59.368 -11.755 2.100 1.00 0.00 O ATOM 584 CB GLU A 35 59.193 -8.528 1.101 1.00 0.00 C ATOM 585 CG GLU A 35 59.516 -9.292 -0.194 1.00 0.00 C ATOM 586 CD GLU A 35 60.582 -8.510 -0.934 1.00 0.00 C ATOM 587 OE1 GLU A 35 60.270 -7.426 -1.418 1.00 0.00 O ATOM 588 OE2 GLU A 35 61.710 -8.985 -0.984 1.00 0.00 O ATOM 0 H GLU A 35 59.268 -7.747 3.416 1.00 0.00 H new ATOM 0 HA GLU A 35 57.780 -9.822 2.062 1.00 0.00 H new ATOM 0 HB2 GLU A 35 58.394 -7.815 0.900 1.00 0.00 H new ATOM 0 HB3 GLU A 35 60.068 -7.950 1.397 1.00 0.00 H new ATOM 0 HG2 GLU A 35 59.868 -10.298 0.033 1.00 0.00 H new ATOM 0 HG3 GLU A 35 58.622 -9.398 -0.809 1.00 0.00 H new ATOM 595 N LYS A 36 60.924 -10.321 2.949 1.00 0.00 N ATOM 596 CA LYS A 36 61.969 -11.323 3.066 1.00 0.00 C ATOM 597 C LYS A 36 62.001 -11.918 4.474 1.00 0.00 C ATOM 598 O LYS A 36 61.727 -13.094 4.681 1.00 0.00 O ATOM 599 CB LYS A 36 63.305 -10.699 2.644 1.00 0.00 C ATOM 600 CG LYS A 36 63.989 -11.565 1.575 1.00 0.00 C ATOM 601 CD LYS A 36 63.222 -11.572 0.256 1.00 0.00 C ATOM 602 CE LYS A 36 62.659 -12.951 -0.082 1.00 0.00 C ATOM 603 NZ LYS A 36 62.940 -13.336 -1.453 1.00 0.00 N ATOM 0 H LYS A 36 61.185 -9.393 3.283 1.00 0.00 H new ATOM 0 HA LYS A 36 61.765 -12.160 2.398 1.00 0.00 H new ATOM 0 HB2 LYS A 36 63.137 -9.695 2.254 1.00 0.00 H new ATOM 0 HB3 LYS A 36 63.957 -10.599 3.512 1.00 0.00 H new ATOM 0 HG2 LYS A 36 65.000 -11.195 1.403 1.00 0.00 H new ATOM 0 HG3 LYS A 36 64.082 -12.587 1.944 1.00 0.00 H new ATOM 0 HD2 LYS A 36 62.405 -10.852 0.310 1.00 0.00 H new ATOM 0 HD3 LYS A 36 63.882 -11.245 -0.547 1.00 0.00 H new ATOM 0 HE2 LYS A 36 63.084 -13.691 0.596 1.00 0.00 H new ATOM 0 HE3 LYS A 36 61.581 -12.951 0.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 62.540 -14.278 -1.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 62.513 -12.645 -2.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 63.969 -13.362 -1.602 1.00 0.00 H new ATOM 617 N GLY A 37 62.353 -11.030 5.419 1.00 0.00 N ATOM 618 CA GLY A 37 62.395 -11.377 6.828 1.00 0.00 C ATOM 619 C GLY A 37 63.572 -10.672 7.483 1.00 0.00 C ATOM 620 O GLY A 37 64.370 -10.009 6.831 1.00 0.00 O ATOM 0 H GLY A 37 62.612 -10.064 5.219 1.00 0.00 H new ATOM 0 HA2 GLY A 37 61.464 -11.085 7.314 1.00 0.00 H new ATOM 0 HA3 GLY A 37 62.491 -12.456 6.946 1.00 0.00 H new ATOM 624 N ARG A 38 63.637 -10.875 8.813 1.00 0.00 N ATOM 625 CA ARG A 38 64.731 -10.345 9.619 1.00 0.00 C ATOM 626 C ARG A 38 66.056 -11.092 9.365 1.00 0.00 C ATOM 627 O ARG A 38 67.106 -10.696 9.849 1.00 0.00 O ATOM 628 CB ARG A 38 64.394 -10.407 11.120 1.00 0.00 C ATOM 629 CG ARG A 38 63.584 -11.646 11.525 1.00 0.00 C ATOM 630 CD ARG A 38 63.427 -11.752 13.043 1.00 0.00 C ATOM 631 NE ARG A 38 64.453 -12.630 13.584 1.00 0.00 N ATOM 632 CZ ARG A 38 64.588 -12.832 14.911 1.00 0.00 C ATOM 633 NH1 ARG A 38 63.807 -12.200 15.784 1.00 0.00 N ATOM 634 NH2 ARG A 38 65.515 -13.678 15.350 1.00 0.00 N ATOM 0 H ARG A 38 62.942 -11.402 9.342 1.00 0.00 H new ATOM 0 HA ARG A 38 64.859 -9.305 9.317 1.00 0.00 H new ATOM 0 HB2 ARG A 38 65.322 -10.389 11.692 1.00 0.00 H new ATOM 0 HB3 ARG A 38 63.833 -9.513 11.394 1.00 0.00 H new ATOM 0 HG2 ARG A 38 62.599 -11.604 11.060 1.00 0.00 H new ATOM 0 HG3 ARG A 38 64.077 -12.542 11.147 1.00 0.00 H new ATOM 0 HD2 ARG A 38 63.505 -10.764 13.496 1.00 0.00 H new ATOM 0 HD3 ARG A 38 62.438 -12.138 13.290 1.00 0.00 H new ATOM 0 HE ARG A 38 65.088 -13.106 12.943 1.00 0.00 H new ATOM 0 HH11 ARG A 38 63.093 -11.551 15.453 1.00 0.00 H new ATOM 0 HH12 ARG A 38 63.923 -12.364 16.784 1.00 0.00 H new ATOM 0 HH21 ARG A 38 66.115 -14.167 14.686 1.00 0.00 H new ATOM 0 HH22 ARG A 38 65.626 -13.838 16.351 1.00 0.00 H new ATOM 648 N ASP A 39 65.963 -12.192 8.594 1.00 0.00 N ATOM 649 CA ASP A 39 67.143 -12.974 8.264 1.00 0.00 C ATOM 650 C ASP A 39 67.715 -12.533 6.920 1.00 0.00 C ATOM 651 O ASP A 39 68.922 -12.499 6.720 1.00 0.00 O ATOM 652 CB ASP A 39 66.770 -14.467 8.240 1.00 0.00 C ATOM 653 CG ASP A 39 67.296 -15.187 9.495 1.00 0.00 C ATOM 654 OD1 ASP A 39 67.069 -14.695 10.601 1.00 0.00 O ATOM 655 OD2 ASP A 39 67.937 -16.228 9.351 1.00 0.00 O ATOM 0 H ASP A 39 65.092 -12.546 8.199 1.00 0.00 H new ATOM 0 HA ASP A 39 67.911 -12.812 9.021 1.00 0.00 H new ATOM 0 HB2 ASP A 39 65.687 -14.574 8.182 1.00 0.00 H new ATOM 0 HB3 ASP A 39 67.185 -14.935 7.347 1.00 0.00 H new ATOM 660 N ALA A 40 66.778 -12.203 6.014 1.00 0.00 N ATOM 661 CA ALA A 40 67.199 -11.790 4.695 1.00 0.00 C ATOM 662 C ALA A 40 67.659 -10.328 4.733 1.00 0.00 C ATOM 663 O ALA A 40 68.808 -10.024 4.447 1.00 0.00 O ATOM 664 CB ALA A 40 66.063 -12.017 3.713 1.00 0.00 C ATOM 0 H ALA A 40 65.771 -12.217 6.174 1.00 0.00 H new ATOM 0 HA ALA A 40 68.049 -12.385 4.361 1.00 0.00 H new ATOM 0 HB1 ALA A 40 66.376 -11.707 2.716 1.00 0.00 H new ATOM 0 HB2 ALA A 40 65.801 -13.075 3.698 1.00 0.00 H new ATOM 0 HB3 ALA A 40 65.195 -11.433 4.019 1.00 0.00 H new ATOM 670 N PHE A 41 66.690 -9.453 5.096 1.00 0.00 N ATOM 671 CA PHE A 41 66.939 -8.021 5.167 1.00 0.00 C ATOM 672 C PHE A 41 66.354 -7.501 6.495 1.00 0.00 C ATOM 673 O PHE A 41 65.259 -6.961 6.527 1.00 0.00 O ATOM 674 CB PHE A 41 66.313 -7.261 3.976 1.00 0.00 C ATOM 675 CG PHE A 41 66.390 -7.973 2.667 1.00 0.00 C ATOM 676 CD1 PHE A 41 67.589 -8.483 2.189 1.00 0.00 C ATOM 677 CD2 PHE A 41 65.235 -8.137 1.919 1.00 0.00 C ATOM 678 CE1 PHE A 41 67.613 -9.224 1.022 1.00 0.00 C ATOM 679 CE2 PHE A 41 65.264 -8.829 0.727 1.00 0.00 C ATOM 680 CZ PHE A 41 66.447 -9.403 0.296 1.00 0.00 C ATOM 0 H PHE A 41 65.738 -9.727 5.340 1.00 0.00 H new ATOM 0 HA PHE A 41 68.014 -7.847 5.120 1.00 0.00 H new ATOM 0 HB2 PHE A 41 65.266 -7.059 4.202 1.00 0.00 H new ATOM 0 HB3 PHE A 41 66.810 -6.296 3.878 1.00 0.00 H new ATOM 0 HD1 PHE A 41 68.506 -8.301 2.730 1.00 0.00 H new ATOM 0 HD2 PHE A 41 64.304 -7.719 2.273 1.00 0.00 H new ATOM 0 HE1 PHE A 41 68.538 -9.662 0.677 1.00 0.00 H new ATOM 0 HE2 PHE A 41 64.367 -8.923 0.132 1.00 0.00 H new ATOM 0 HZ PHE A 41 66.461 -9.992 -0.609 1.00 0.00 H new ATOM 690 N PRO A 42 67.120 -7.669 7.611 1.00 0.00 N ATOM 691 CA PRO A 42 66.728 -7.096 8.897 1.00 0.00 C ATOM 692 C PRO A 42 66.873 -5.586 8.850 1.00 0.00 C ATOM 693 O PRO A 42 67.942 -5.082 8.535 1.00 0.00 O ATOM 694 CB PRO A 42 67.748 -7.642 9.898 1.00 0.00 C ATOM 695 CG PRO A 42 68.956 -8.045 9.046 1.00 0.00 C ATOM 696 CD PRO A 42 68.388 -8.390 7.667 1.00 0.00 C ATOM 0 HA PRO A 42 65.698 -7.342 9.154 1.00 0.00 H new ATOM 0 HB2 PRO A 42 68.019 -6.888 10.637 1.00 0.00 H new ATOM 0 HB3 PRO A 42 67.347 -8.495 10.445 1.00 0.00 H new ATOM 0 HG2 PRO A 42 69.679 -7.232 8.980 1.00 0.00 H new ATOM 0 HG3 PRO A 42 69.476 -8.899 9.481 1.00 0.00 H new ATOM 0 HD2 PRO A 42 69.061 -8.075 6.869 1.00 0.00 H new ATOM 0 HD3 PRO A 42 68.241 -9.464 7.554 1.00 0.00 H new ATOM 704 N VAL A 43 65.741 -4.906 9.162 1.00 0.00 N ATOM 705 CA VAL A 43 65.666 -3.446 9.185 1.00 0.00 C ATOM 706 C VAL A 43 66.898 -2.762 9.798 1.00 0.00 C ATOM 707 O VAL A 43 67.279 -1.667 9.421 1.00 0.00 O ATOM 708 CB VAL A 43 64.405 -2.969 9.930 1.00 0.00 C ATOM 709 CG1 VAL A 43 63.121 -3.411 9.225 1.00 0.00 C ATOM 710 CG2 VAL A 43 64.395 -3.383 11.406 1.00 0.00 C ATOM 0 H VAL A 43 64.863 -5.365 9.402 1.00 0.00 H new ATOM 0 HA VAL A 43 65.624 -3.151 8.136 1.00 0.00 H new ATOM 0 HB VAL A 43 64.439 -1.880 9.907 1.00 0.00 H new ATOM 0 HG11 VAL A 43 62.257 -3.053 9.785 1.00 0.00 H new ATOM 0 HG12 VAL A 43 63.098 -2.996 8.217 1.00 0.00 H new ATOM 0 HG13 VAL A 43 63.092 -4.499 9.170 1.00 0.00 H new ATOM 0 HG21 VAL A 43 63.483 -3.020 11.880 1.00 0.00 H new ATOM 0 HG22 VAL A 43 64.434 -4.470 11.479 1.00 0.00 H new ATOM 0 HG23 VAL A 43 65.261 -2.954 11.910 1.00 0.00 H new ATOM 720 N ALA A 44 67.519 -3.470 10.757 1.00 0.00 N ATOM 721 CA ALA A 44 68.745 -3.018 11.363 1.00 0.00 C ATOM 722 C ALA A 44 69.828 -2.694 10.308 1.00 0.00 C ATOM 723 O ALA A 44 70.212 -1.545 10.131 1.00 0.00 O ATOM 724 CB ALA A 44 69.218 -4.090 12.344 1.00 0.00 C ATOM 0 H ALA A 44 67.175 -4.360 11.118 1.00 0.00 H new ATOM 0 HA ALA A 44 68.561 -2.085 11.897 1.00 0.00 H new ATOM 0 HB1 ALA A 44 70.147 -3.768 12.815 1.00 0.00 H new ATOM 0 HB2 ALA A 44 68.457 -4.244 13.109 1.00 0.00 H new ATOM 0 HB3 ALA A 44 69.388 -5.024 11.808 1.00 0.00 H new ATOM 730 N GLY A 45 70.276 -3.765 9.619 1.00 0.00 N ATOM 731 CA GLY A 45 71.315 -3.614 8.613 1.00 0.00 C ATOM 732 C GLY A 45 70.760 -3.492 7.193 1.00 0.00 C ATOM 733 O GLY A 45 71.467 -3.771 6.239 1.00 0.00 O ATOM 0 H GLY A 45 69.935 -4.718 9.746 1.00 0.00 H new ATOM 0 HA2 GLY A 45 71.909 -2.729 8.842 1.00 0.00 H new ATOM 0 HA3 GLY A 45 71.987 -4.471 8.662 1.00 0.00 H new ATOM 737 N GLN A 46 69.485 -3.064 7.076 1.00 0.00 N ATOM 738 CA GLN A 46 68.865 -2.910 5.766 1.00 0.00 C ATOM 739 C GLN A 46 69.238 -1.570 5.126 1.00 0.00 C ATOM 740 O GLN A 46 68.389 -0.730 4.904 1.00 0.00 O ATOM 741 CB GLN A 46 67.347 -3.012 5.888 1.00 0.00 C ATOM 742 CG GLN A 46 66.754 -4.398 5.705 1.00 0.00 C ATOM 743 CD GLN A 46 65.569 -4.314 4.740 1.00 0.00 C ATOM 744 OE1 GLN A 46 65.734 -4.011 3.572 1.00 0.00 O ATOM 745 NE2 GLN A 46 64.386 -4.582 5.292 1.00 0.00 N ATOM 0 H GLN A 46 68.883 -2.826 7.864 1.00 0.00 H new ATOM 0 HA GLN A 46 69.236 -3.711 5.127 1.00 0.00 H new ATOM 0 HB2 GLN A 46 67.056 -2.641 6.871 1.00 0.00 H new ATOM 0 HB3 GLN A 46 66.898 -2.347 5.151 1.00 0.00 H new ATOM 0 HG2 GLN A 46 67.509 -5.081 5.315 1.00 0.00 H new ATOM 0 HG3 GLN A 46 66.429 -4.797 6.666 1.00 0.00 H new ATOM 0 HE21 GLN A 46 64.328 -4.829 6.280 1.00 0.00 H new ATOM 0 HE22 GLN A 46 63.538 -4.540 4.727 1.00 0.00 H new ATOM 754 N LYS A 47 70.528 -1.408 4.809 1.00 0.00 N ATOM 755 CA LYS A 47 70.984 -0.185 4.176 1.00 0.00 C ATOM 756 C LYS A 47 70.567 -0.200 2.709 1.00 0.00 C ATOM 757 O LYS A 47 70.318 -1.256 2.147 1.00 0.00 O ATOM 758 CB LYS A 47 72.503 -0.100 4.263 1.00 0.00 C ATOM 759 CG LYS A 47 73.002 -0.130 5.708 1.00 0.00 C ATOM 760 CD LYS A 47 74.506 -0.392 5.772 1.00 0.00 C ATOM 761 CE LYS A 47 74.981 -0.561 7.218 1.00 0.00 C ATOM 762 NZ LYS A 47 75.054 -1.960 7.619 1.00 0.00 N ATOM 0 H LYS A 47 71.257 -2.101 4.980 1.00 0.00 H new ATOM 0 HA LYS A 47 70.543 0.674 4.681 1.00 0.00 H new ATOM 0 HB2 LYS A 47 72.944 -0.930 3.711 1.00 0.00 H new ATOM 0 HB3 LYS A 47 72.842 0.818 3.783 1.00 0.00 H new ATOM 0 HG2 LYS A 47 72.775 0.820 6.193 1.00 0.00 H new ATOM 0 HG3 LYS A 47 72.472 -0.905 6.262 1.00 0.00 H new ATOM 0 HD2 LYS A 47 74.745 -1.289 5.201 1.00 0.00 H new ATOM 0 HD3 LYS A 47 75.041 0.435 5.306 1.00 0.00 H new ATOM 0 HE2 LYS A 47 75.963 -0.102 7.331 1.00 0.00 H new ATOM 0 HE3 LYS A 47 74.302 -0.030 7.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 75.380 -2.022 8.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 74.112 -2.394 7.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 75.722 -2.464 7.001 1.00 0.00 H new ATOM 776 N LEU A 48 70.473 1.017 2.146 1.00 0.00 N ATOM 777 CA LEU A 48 70.004 1.194 0.783 1.00 0.00 C ATOM 778 C LEU A 48 70.978 2.137 0.071 1.00 0.00 C ATOM 779 O LEU A 48 71.585 2.976 0.724 1.00 0.00 O ATOM 780 CB LEU A 48 68.566 1.724 0.804 1.00 0.00 C ATOM 781 CG LEU A 48 67.512 0.675 1.191 1.00 0.00 C ATOM 782 CD1 LEU A 48 67.313 0.670 2.706 1.00 0.00 C ATOM 783 CD2 LEU A 48 66.144 0.940 0.573 1.00 0.00 C ATOM 0 H LEU A 48 70.718 1.885 2.623 1.00 0.00 H new ATOM 0 HA LEU A 48 69.981 0.251 0.236 1.00 0.00 H new ATOM 0 HB2 LEU A 48 68.508 2.556 1.505 1.00 0.00 H new ATOM 0 HB3 LEU A 48 68.323 2.120 -0.182 1.00 0.00 H new ATOM 0 HG LEU A 48 67.893 -0.276 0.819 1.00 0.00 H new ATOM 0 HD11 LEU A 48 66.564 -0.076 2.972 1.00 0.00 H new ATOM 0 HD12 LEU A 48 68.256 0.429 3.196 1.00 0.00 H new ATOM 0 HD13 LEU A 48 66.976 1.654 3.032 1.00 0.00 H new ATOM 0 HD21 LEU A 48 65.447 0.163 0.886 1.00 0.00 H new ATOM 0 HD22 LEU A 48 65.777 1.912 0.904 1.00 0.00 H new ATOM 0 HD23 LEU A 48 66.229 0.935 -0.514 1.00 0.00 H new ATOM 795 N ILE A 49 71.150 1.944 -1.264 1.00 0.00 N ATOM 796 CA ILE A 49 72.129 2.735 -2.018 1.00 0.00 C ATOM 797 C ILE A 49 71.500 3.419 -3.239 1.00 0.00 C ATOM 798 O ILE A 49 71.091 2.744 -4.176 1.00 0.00 O ATOM 799 CB ILE A 49 73.329 1.901 -2.534 1.00 0.00 C ATOM 800 CG1 ILE A 49 73.687 0.696 -1.662 1.00 0.00 C ATOM 801 CG2 ILE A 49 74.568 2.781 -2.758 1.00 0.00 C ATOM 802 CD1 ILE A 49 73.847 1.039 -0.192 1.00 0.00 C ATOM 0 H ILE A 49 70.632 1.262 -1.819 1.00 0.00 H new ATOM 0 HA ILE A 49 72.483 3.474 -1.299 1.00 0.00 H new ATOM 0 HB ILE A 49 72.994 1.494 -3.488 1.00 0.00 H new ATOM 0 HG12 ILE A 49 72.911 -0.062 -1.768 1.00 0.00 H new ATOM 0 HG13 ILE A 49 74.615 0.256 -2.027 1.00 0.00 H new ATOM 0 HG21 ILE A 49 75.391 2.165 -3.120 1.00 0.00 H new ATOM 0 HG22 ILE A 49 74.339 3.550 -3.495 1.00 0.00 H new ATOM 0 HG23 ILE A 49 74.854 3.253 -1.818 1.00 0.00 H new ATOM 0 HD11 ILE A 49 74.100 0.138 0.366 1.00 0.00 H new ATOM 0 HD12 ILE A 49 74.643 1.775 -0.075 1.00 0.00 H new ATOM 0 HD13 ILE A 49 72.913 1.451 0.189 1.00 0.00 H new ATOM 814 N TYR A 50 71.452 4.772 -3.191 1.00 0.00 N ATOM 815 CA TYR A 50 70.845 5.549 -4.267 1.00 0.00 C ATOM 816 C TYR A 50 71.887 6.491 -4.853 1.00 0.00 C ATOM 817 O TYR A 50 72.347 7.410 -4.193 1.00 0.00 O ATOM 818 CB TYR A 50 69.661 6.377 -3.742 1.00 0.00 C ATOM 819 CG TYR A 50 68.715 6.732 -4.860 1.00 0.00 C ATOM 820 CD1 TYR A 50 67.754 5.831 -5.315 1.00 0.00 C ATOM 821 CD2 TYR A 50 68.788 7.980 -5.461 1.00 0.00 C ATOM 822 CE1 TYR A 50 66.885 6.166 -6.337 1.00 0.00 C ATOM 823 CE2 TYR A 50 67.902 8.334 -6.467 1.00 0.00 C ATOM 824 CZ TYR A 50 66.955 7.425 -6.905 1.00 0.00 C ATOM 825 OH TYR A 50 66.065 7.774 -7.889 1.00 0.00 O ATOM 0 H TYR A 50 71.825 5.331 -2.423 1.00 0.00 H new ATOM 0 HA TYR A 50 70.482 4.861 -5.030 1.00 0.00 H new ATOM 0 HB2 TYR A 50 69.129 5.813 -2.976 1.00 0.00 H new ATOM 0 HB3 TYR A 50 70.030 7.287 -3.270 1.00 0.00 H new ATOM 0 HD1 TYR A 50 67.687 4.853 -4.861 1.00 0.00 H new ATOM 0 HD2 TYR A 50 69.543 8.683 -5.142 1.00 0.00 H new ATOM 0 HE1 TYR A 50 66.157 5.450 -6.689 1.00 0.00 H new ATOM 0 HE2 TYR A 50 67.951 9.318 -6.908 1.00 0.00 H new ATOM 0 HH TYR A 50 65.481 8.490 -7.563 1.00 0.00 H new ATOM 835 N ALA A 51 72.215 6.221 -6.134 1.00 0.00 N ATOM 836 CA ALA A 51 73.169 7.052 -6.856 1.00 0.00 C ATOM 837 C ALA A 51 74.599 6.888 -6.296 1.00 0.00 C ATOM 838 O ALA A 51 75.397 7.817 -6.299 1.00 0.00 O ATOM 839 CB ALA A 51 72.722 8.533 -6.858 1.00 0.00 C ATOM 0 H ALA A 51 71.834 5.443 -6.673 1.00 0.00 H new ATOM 0 HA ALA A 51 73.191 6.713 -7.892 1.00 0.00 H new ATOM 0 HB1 ALA A 51 73.451 9.132 -7.403 1.00 0.00 H new ATOM 0 HB2 ALA A 51 71.748 8.619 -7.340 1.00 0.00 H new ATOM 0 HB3 ALA A 51 72.651 8.893 -5.832 1.00 0.00 H new ATOM 845 N GLY A 52 74.861 5.659 -5.791 1.00 0.00 N ATOM 846 CA GLY A 52 76.151 5.372 -5.177 1.00 0.00 C ATOM 847 C GLY A 52 76.243 5.810 -3.700 1.00 0.00 C ATOM 848 O GLY A 52 77.189 5.461 -3.005 1.00 0.00 O ATOM 0 H GLY A 52 74.206 4.877 -5.802 1.00 0.00 H new ATOM 0 HA2 GLY A 52 76.345 4.301 -5.243 1.00 0.00 H new ATOM 0 HA3 GLY A 52 76.934 5.873 -5.746 1.00 0.00 H new ATOM 852 N LYS A 53 75.224 6.585 -3.255 1.00 0.00 N ATOM 853 CA LYS A 53 75.152 7.079 -1.884 1.00 0.00 C ATOM 854 C LYS A 53 74.436 6.057 -1.011 1.00 0.00 C ATOM 855 O LYS A 53 73.784 5.178 -1.544 1.00 0.00 O ATOM 856 CB LYS A 53 74.359 8.397 -1.856 1.00 0.00 C ATOM 857 CG LYS A 53 75.245 9.618 -1.630 1.00 0.00 C ATOM 858 CD LYS A 53 75.375 10.462 -2.896 1.00 0.00 C ATOM 859 CE LYS A 53 76.569 11.417 -2.826 1.00 0.00 C ATOM 860 NZ LYS A 53 76.224 12.773 -3.219 1.00 0.00 N ATOM 0 H LYS A 53 74.442 6.876 -3.841 1.00 0.00 H new ATOM 0 HA LYS A 53 76.162 7.244 -1.508 1.00 0.00 H new ATOM 0 HB2 LYS A 53 73.823 8.513 -2.798 1.00 0.00 H new ATOM 0 HB3 LYS A 53 73.609 8.347 -1.066 1.00 0.00 H new ATOM 0 HG2 LYS A 53 74.828 10.227 -0.828 1.00 0.00 H new ATOM 0 HG3 LYS A 53 76.234 9.295 -1.304 1.00 0.00 H new ATOM 0 HD2 LYS A 53 75.485 9.806 -3.760 1.00 0.00 H new ATOM 0 HD3 LYS A 53 74.460 11.035 -3.046 1.00 0.00 H new ATOM 0 HE2 LYS A 53 76.963 11.426 -1.810 1.00 0.00 H new ATOM 0 HE3 LYS A 53 77.364 11.046 -3.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 77.067 13.378 -3.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 75.873 12.772 -4.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 75.484 13.140 -2.587 1.00 0.00 H new ATOM 874 N ILE A 54 74.561 6.210 0.324 1.00 0.00 N ATOM 875 CA ILE A 54 73.941 5.311 1.299 1.00 0.00 C ATOM 876 C ILE A 54 72.840 6.055 2.048 1.00 0.00 C ATOM 877 O ILE A 54 72.929 7.261 2.241 1.00 0.00 O ATOM 878 CB ILE A 54 75.004 4.793 2.301 1.00 0.00 C ATOM 879 CG1 ILE A 54 75.514 3.405 1.890 1.00 0.00 C ATOM 880 CG2 ILE A 54 74.555 4.783 3.784 1.00 0.00 C ATOM 881 CD1 ILE A 54 74.610 2.278 2.412 1.00 0.00 C ATOM 0 H ILE A 54 75.098 6.966 0.749 1.00 0.00 H new ATOM 0 HA ILE A 54 73.510 4.458 0.775 1.00 0.00 H new ATOM 0 HB ILE A 54 75.815 5.520 2.247 1.00 0.00 H new ATOM 0 HG12 ILE A 54 75.572 3.348 0.803 1.00 0.00 H new ATOM 0 HG13 ILE A 54 76.525 3.264 2.271 1.00 0.00 H new ATOM 0 HG21 ILE A 54 75.366 4.405 4.407 1.00 0.00 H new ATOM 0 HG22 ILE A 54 74.301 5.797 4.094 1.00 0.00 H new ATOM 0 HG23 ILE A 54 73.682 4.140 3.895 1.00 0.00 H new ATOM 0 HD11 ILE A 54 75.011 1.315 2.096 1.00 0.00 H new ATOM 0 HD12 ILE A 54 74.572 2.316 3.501 1.00 0.00 H new ATOM 0 HD13 ILE A 54 73.605 2.402 2.010 1.00 0.00 H new ATOM 893 N LEU A 55 71.844 5.267 2.499 1.00 0.00 N ATOM 894 CA LEU A 55 70.695 5.757 3.235 1.00 0.00 C ATOM 895 C LEU A 55 70.305 4.735 4.320 1.00 0.00 C ATOM 896 O LEU A 55 70.237 3.535 4.072 1.00 0.00 O ATOM 897 CB LEU A 55 69.504 6.010 2.288 1.00 0.00 C ATOM 898 CG LEU A 55 69.356 5.001 1.147 1.00 0.00 C ATOM 899 CD1 LEU A 55 67.879 4.840 0.784 1.00 0.00 C ATOM 900 CD2 LEU A 55 70.157 5.390 -0.111 1.00 0.00 C ATOM 0 H LEU A 55 71.829 4.258 2.352 1.00 0.00 H new ATOM 0 HA LEU A 55 70.958 6.704 3.707 1.00 0.00 H new ATOM 0 HB2 LEU A 55 68.586 6.008 2.876 1.00 0.00 H new ATOM 0 HB3 LEU A 55 69.606 7.007 1.860 1.00 0.00 H new ATOM 0 HG LEU A 55 69.765 4.057 1.507 1.00 0.00 H new ATOM 0 HD11 LEU A 55 67.780 4.120 -0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 55 67.327 4.483 1.654 1.00 0.00 H new ATOM 0 HD13 LEU A 55 67.475 5.802 0.468 1.00 0.00 H new ATOM 0 HD21 LEU A 55 70.011 4.635 -0.883 1.00 0.00 H new ATOM 0 HD22 LEU A 55 69.811 6.356 -0.478 1.00 0.00 H new ATOM 0 HD23 LEU A 55 71.216 5.454 0.138 1.00 0.00 H new ATOM 912 N SER A 56 70.058 5.294 5.524 1.00 0.00 N ATOM 913 CA SER A 56 69.658 4.529 6.703 1.00 0.00 C ATOM 914 C SER A 56 68.174 4.787 7.007 1.00 0.00 C ATOM 915 O SER A 56 67.534 5.641 6.414 1.00 0.00 O ATOM 916 CB SER A 56 70.573 4.920 7.881 1.00 0.00 C ATOM 917 OG SER A 56 70.103 4.515 9.143 1.00 0.00 O ATOM 0 H SER A 56 70.134 6.296 5.696 1.00 0.00 H new ATOM 0 HA SER A 56 69.770 3.459 6.528 1.00 0.00 H new ATOM 0 HB2 SER A 56 71.559 4.486 7.718 1.00 0.00 H new ATOM 0 HB3 SER A 56 70.698 6.003 7.884 1.00 0.00 H new ATOM 0 HG SER A 56 70.737 4.798 9.834 1.00 0.00 H new ATOM 923 N ASP A 57 67.667 3.998 7.976 1.00 0.00 N ATOM 924 CA ASP A 57 66.285 4.096 8.425 1.00 0.00 C ATOM 925 C ASP A 57 65.931 5.469 9.034 1.00 0.00 C ATOM 926 O ASP A 57 64.768 5.783 9.216 1.00 0.00 O ATOM 927 CB ASP A 57 65.980 3.002 9.469 1.00 0.00 C ATOM 928 CG ASP A 57 66.763 3.156 10.782 1.00 0.00 C ATOM 929 OD1 ASP A 57 66.344 3.950 11.623 1.00 0.00 O ATOM 930 OD2 ASP A 57 67.772 2.474 10.952 1.00 0.00 O ATOM 0 H ASP A 57 68.210 3.283 8.460 1.00 0.00 H new ATOM 0 HA ASP A 57 65.674 3.963 7.532 1.00 0.00 H new ATOM 0 HB2 ASP A 57 64.913 3.013 9.691 1.00 0.00 H new ATOM 0 HB3 ASP A 57 66.205 2.028 9.036 1.00 0.00 H new ATOM 935 N ASP A 58 66.957 6.269 9.374 1.00 0.00 N ATOM 936 CA ASP A 58 66.682 7.559 9.990 1.00 0.00 C ATOM 937 C ASP A 58 66.688 8.708 8.968 1.00 0.00 C ATOM 938 O ASP A 58 66.309 9.820 9.295 1.00 0.00 O ATOM 939 CB ASP A 58 67.707 7.827 11.111 1.00 0.00 C ATOM 940 CG ASP A 58 67.046 7.815 12.503 1.00 0.00 C ATOM 941 OD1 ASP A 58 66.101 8.575 12.714 1.00 0.00 O ATOM 942 OD2 ASP A 58 67.484 7.048 13.361 1.00 0.00 O ATOM 0 H ASP A 58 67.943 6.049 9.236 1.00 0.00 H new ATOM 0 HA ASP A 58 65.678 7.518 10.413 1.00 0.00 H new ATOM 0 HB2 ASP A 58 68.492 7.072 11.074 1.00 0.00 H new ATOM 0 HB3 ASP A 58 68.185 8.792 10.944 1.00 0.00 H new ATOM 947 N VAL A 59 67.147 8.393 7.732 1.00 0.00 N ATOM 948 CA VAL A 59 67.288 9.427 6.708 1.00 0.00 C ATOM 949 C VAL A 59 65.987 9.457 5.871 1.00 0.00 C ATOM 950 O VAL A 59 65.351 8.470 5.740 1.00 0.00 O ATOM 951 CB VAL A 59 68.487 9.125 5.788 1.00 0.00 C ATOM 952 CG1 VAL A 59 69.681 8.565 6.569 1.00 0.00 C ATOM 953 CG2 VAL A 59 68.142 8.189 4.623 1.00 0.00 C ATOM 0 H VAL A 59 67.416 7.455 7.436 1.00 0.00 H new ATOM 0 HA VAL A 59 67.462 10.391 7.185 1.00 0.00 H new ATOM 0 HB VAL A 59 68.764 10.088 5.359 1.00 0.00 H new ATOM 0 HG11 VAL A 59 70.504 8.366 5.882 1.00 0.00 H new ATOM 0 HG12 VAL A 59 70.000 9.291 7.317 1.00 0.00 H new ATOM 0 HG13 VAL A 59 69.390 7.639 7.064 1.00 0.00 H new ATOM 0 HG21 VAL A 59 69.032 8.020 4.017 1.00 0.00 H new ATOM 0 HG22 VAL A 59 67.783 7.237 5.015 1.00 0.00 H new ATOM 0 HG23 VAL A 59 67.365 8.644 4.008 1.00 0.00 H new ATOM 963 N PRO A 60 65.650 10.642 5.268 1.00 0.00 N ATOM 964 CA PRO A 60 64.445 10.757 4.444 1.00 0.00 C ATOM 965 C PRO A 60 64.651 10.166 3.038 1.00 0.00 C ATOM 966 O PRO A 60 65.683 10.360 2.426 1.00 0.00 O ATOM 967 CB PRO A 60 64.176 12.269 4.382 1.00 0.00 C ATOM 968 CG PRO A 60 65.313 12.934 5.171 1.00 0.00 C ATOM 969 CD PRO A 60 66.396 11.875 5.349 1.00 0.00 C ATOM 0 HA PRO A 60 63.608 10.199 4.863 1.00 0.00 H new ATOM 0 HB2 PRO A 60 64.160 12.620 3.350 1.00 0.00 H new ATOM 0 HB3 PRO A 60 63.206 12.511 4.817 1.00 0.00 H new ATOM 0 HG2 PRO A 60 65.702 13.800 4.635 1.00 0.00 H new ATOM 0 HG3 PRO A 60 64.957 13.291 6.138 1.00 0.00 H new ATOM 0 HD2 PRO A 60 67.157 11.940 4.572 1.00 0.00 H new ATOM 0 HD3 PRO A 60 66.908 11.976 6.306 1.00 0.00 H new ATOM 977 N ILE A 61 63.622 9.433 2.562 1.00 0.00 N ATOM 978 CA ILE A 61 63.646 8.899 1.199 1.00 0.00 C ATOM 979 C ILE A 61 63.750 10.024 0.153 1.00 0.00 C ATOM 980 O ILE A 61 64.359 9.876 -0.895 1.00 0.00 O ATOM 981 CB ILE A 61 62.373 8.075 0.950 1.00 0.00 C ATOM 982 CG1 ILE A 61 62.344 6.842 1.853 1.00 0.00 C ATOM 983 CG2 ILE A 61 62.200 7.683 -0.526 1.00 0.00 C ATOM 984 CD1 ILE A 61 63.037 5.619 1.238 1.00 0.00 C ATOM 0 H ILE A 61 62.783 9.205 3.095 1.00 0.00 H new ATOM 0 HA ILE A 61 64.527 8.265 1.097 1.00 0.00 H new ATOM 0 HB ILE A 61 61.526 8.713 1.202 1.00 0.00 H new ATOM 0 HG12 ILE A 61 62.824 7.084 2.801 1.00 0.00 H new ATOM 0 HG13 ILE A 61 61.308 6.589 2.076 1.00 0.00 H new ATOM 0 HG21 ILE A 61 61.285 7.103 -0.643 1.00 0.00 H new ATOM 0 HG22 ILE A 61 62.139 8.584 -1.137 1.00 0.00 H new ATOM 0 HG23 ILE A 61 63.053 7.084 -0.846 1.00 0.00 H new ATOM 0 HD11 ILE A 61 62.979 4.781 1.932 1.00 0.00 H new ATOM 0 HD12 ILE A 61 62.542 5.352 0.304 1.00 0.00 H new ATOM 0 HD13 ILE A 61 64.083 5.855 1.040 1.00 0.00 H new ATOM 996 N ARG A 62 63.119 11.158 0.509 1.00 0.00 N ATOM 997 CA ARG A 62 63.125 12.321 -0.355 1.00 0.00 C ATOM 998 C ARG A 62 64.546 12.890 -0.488 1.00 0.00 C ATOM 999 O ARG A 62 64.908 13.443 -1.520 1.00 0.00 O ATOM 1000 CB ARG A 62 62.113 13.358 0.170 1.00 0.00 C ATOM 1001 CG ARG A 62 62.522 14.830 -0.027 1.00 0.00 C ATOM 1002 CD ARG A 62 61.344 15.775 -0.275 1.00 0.00 C ATOM 1003 NE ARG A 62 61.616 16.602 -1.446 1.00 0.00 N ATOM 1004 CZ ARG A 62 62.467 17.652 -1.417 1.00 0.00 C ATOM 1005 NH1 ARG A 62 63.101 17.992 -0.298 1.00 0.00 N ATOM 1006 NH2 ARG A 62 62.675 18.354 -2.526 1.00 0.00 N ATOM 0 H ARG A 62 62.607 11.280 1.383 1.00 0.00 H new ATOM 0 HA ARG A 62 62.813 12.037 -1.360 1.00 0.00 H new ATOM 0 HB2 ARG A 62 61.157 13.193 -0.327 1.00 0.00 H new ATOM 0 HB3 ARG A 62 61.954 13.181 1.234 1.00 0.00 H new ATOM 0 HG2 ARG A 62 63.065 15.167 0.856 1.00 0.00 H new ATOM 0 HG3 ARG A 62 63.211 14.896 -0.869 1.00 0.00 H new ATOM 0 HD2 ARG A 62 60.430 15.201 -0.428 1.00 0.00 H new ATOM 0 HD3 ARG A 62 61.181 16.406 0.598 1.00 0.00 H new ATOM 0 HE ARG A 62 61.145 16.379 -2.323 1.00 0.00 H new ATOM 0 HH11 ARG A 62 62.949 17.457 0.557 1.00 0.00 H new ATOM 0 HH12 ARG A 62 63.740 18.787 -0.295 1.00 0.00 H new ATOM 0 HH21 ARG A 62 62.194 18.099 -3.389 1.00 0.00 H new ATOM 0 HH22 ARG A 62 63.315 19.148 -2.514 1.00 0.00 H new ATOM 1020 N ASP A 63 65.325 12.719 0.602 1.00 0.00 N ATOM 1021 CA ASP A 63 66.702 13.197 0.601 1.00 0.00 C ATOM 1022 C ASP A 63 67.531 12.508 -0.504 1.00 0.00 C ATOM 1023 O ASP A 63 68.481 13.073 -1.027 1.00 0.00 O ATOM 1024 CB ASP A 63 67.322 12.970 1.991 1.00 0.00 C ATOM 1025 CG ASP A 63 68.748 13.532 2.175 1.00 0.00 C ATOM 1026 OD1 ASP A 63 69.208 14.315 1.346 1.00 0.00 O ATOM 1027 OD2 ASP A 63 69.388 13.170 3.162 1.00 0.00 O ATOM 0 H ASP A 63 65.025 12.266 1.465 1.00 0.00 H new ATOM 0 HA ASP A 63 66.708 14.265 0.383 1.00 0.00 H new ATOM 0 HB2 ASP A 63 66.671 13.422 2.740 1.00 0.00 H new ATOM 0 HB3 ASP A 63 67.342 11.899 2.191 1.00 0.00 H new ATOM 1032 N TYR A 64 67.100 11.271 -0.830 1.00 0.00 N ATOM 1033 CA TYR A 64 67.781 10.483 -1.843 1.00 0.00 C ATOM 1034 C TYR A 64 66.942 10.372 -3.111 1.00 0.00 C ATOM 1035 O TYR A 64 67.198 9.503 -3.923 1.00 0.00 O ATOM 1036 CB TYR A 64 68.080 9.079 -1.296 1.00 0.00 C ATOM 1037 CG TYR A 64 69.071 9.155 -0.173 1.00 0.00 C ATOM 1038 CD1 TYR A 64 68.642 9.487 1.104 1.00 0.00 C ATOM 1039 CD2 TYR A 64 70.422 8.914 -0.392 1.00 0.00 C ATOM 1040 CE1 TYR A 64 69.546 9.612 2.142 1.00 0.00 C ATOM 1041 CE2 TYR A 64 71.324 9.016 0.658 1.00 0.00 C ATOM 1042 CZ TYR A 64 70.884 9.355 1.931 1.00 0.00 C ATOM 1043 OH TYR A 64 71.744 9.428 3.008 1.00 0.00 O ATOM 0 H TYR A 64 66.293 10.813 -0.405 1.00 0.00 H new ATOM 0 HA TYR A 64 68.715 10.986 -2.094 1.00 0.00 H new ATOM 0 HB2 TYR A 64 67.158 8.615 -0.945 1.00 0.00 H new ATOM 0 HB3 TYR A 64 68.472 8.447 -2.093 1.00 0.00 H new ATOM 0 HD1 TYR A 64 67.590 9.649 1.289 1.00 0.00 H new ATOM 0 HD2 TYR A 64 70.770 8.647 -1.379 1.00 0.00 H new ATOM 0 HE1 TYR A 64 69.203 9.912 3.121 1.00 0.00 H new ATOM 0 HE2 TYR A 64 72.374 8.831 0.484 1.00 0.00 H new ATOM 0 HH TYR A 64 72.511 8.838 2.855 1.00 0.00 H new ATOM 1053 N ARG A 65 65.934 11.256 -3.265 1.00 0.00 N ATOM 1054 CA ARG A 65 65.080 11.312 -4.449 1.00 0.00 C ATOM 1055 C ARG A 65 64.719 9.924 -5.045 1.00 0.00 C ATOM 1056 O ARG A 65 64.824 9.705 -6.246 1.00 0.00 O ATOM 1057 CB ARG A 65 65.731 12.223 -5.513 1.00 0.00 C ATOM 1058 CG ARG A 65 64.736 13.232 -6.093 1.00 0.00 C ATOM 1059 CD ARG A 65 65.295 13.962 -7.319 1.00 0.00 C ATOM 1060 NE ARG A 65 64.313 13.950 -8.396 1.00 0.00 N ATOM 1061 CZ ARG A 65 64.326 14.850 -9.403 1.00 0.00 C ATOM 1062 NH1 ARG A 65 65.236 15.820 -9.444 1.00 0.00 N ATOM 1063 NH2 ARG A 65 63.416 14.764 -10.368 1.00 0.00 N ATOM 0 H ARG A 65 65.696 11.953 -2.559 1.00 0.00 H new ATOM 0 HA ARG A 65 64.128 11.733 -4.126 1.00 0.00 H new ATOM 0 HB2 ARG A 65 66.571 12.757 -5.068 1.00 0.00 H new ATOM 0 HB3 ARG A 65 66.135 11.609 -6.318 1.00 0.00 H new ATOM 0 HG2 ARG A 65 63.817 12.715 -6.369 1.00 0.00 H new ATOM 0 HG3 ARG A 65 64.474 13.962 -5.327 1.00 0.00 H new ATOM 0 HD2 ARG A 65 65.547 14.990 -7.057 1.00 0.00 H new ATOM 0 HD3 ARG A 65 66.216 13.482 -7.650 1.00 0.00 H new ATOM 0 HE ARG A 65 63.587 13.233 -8.389 1.00 0.00 H new ATOM 0 HH11 ARG A 65 65.938 15.892 -8.708 1.00 0.00 H new ATOM 0 HH12 ARG A 65 65.231 16.491 -10.212 1.00 0.00 H new ATOM 0 HH21 ARG A 65 62.716 14.023 -10.344 1.00 0.00 H new ATOM 0 HH22 ARG A 65 63.418 15.439 -11.133 1.00 0.00 H new ATOM 1077 N ILE A 66 64.324 9.005 -4.135 1.00 0.00 N ATOM 1078 CA ILE A 66 64.112 7.620 -4.547 1.00 0.00 C ATOM 1079 C ILE A 66 62.758 7.490 -5.243 1.00 0.00 C ATOM 1080 O ILE A 66 61.720 7.347 -4.610 1.00 0.00 O ATOM 1081 CB ILE A 66 64.226 6.631 -3.376 1.00 0.00 C ATOM 1082 CG1 ILE A 66 65.358 7.062 -2.432 1.00 0.00 C ATOM 1083 CG2 ILE A 66 64.407 5.183 -3.868 1.00 0.00 C ATOM 1084 CD1 ILE A 66 65.877 5.957 -1.539 1.00 0.00 C ATOM 0 H ILE A 66 64.153 9.197 -3.148 1.00 0.00 H new ATOM 0 HA ILE A 66 64.905 7.358 -5.247 1.00 0.00 H new ATOM 0 HB ILE A 66 63.291 6.650 -2.817 1.00 0.00 H new ATOM 0 HG12 ILE A 66 66.184 7.450 -3.028 1.00 0.00 H new ATOM 0 HG13 ILE A 66 65.002 7.881 -1.807 1.00 0.00 H new ATOM 0 HG21 ILE A 66 64.484 4.514 -3.011 1.00 0.00 H new ATOM 0 HG22 ILE A 66 63.550 4.896 -4.477 1.00 0.00 H new ATOM 0 HG23 ILE A 66 65.316 5.113 -4.465 1.00 0.00 H new ATOM 0 HD11 ILE A 66 66.674 6.346 -0.905 1.00 0.00 H new ATOM 0 HD12 ILE A 66 65.066 5.583 -0.914 1.00 0.00 H new ATOM 0 HD13 ILE A 66 66.266 5.145 -2.153 1.00 0.00 H new ATOM 1096 N ASP A 67 62.852 7.551 -6.585 1.00 0.00 N ATOM 1097 CA ASP A 67 61.675 7.461 -7.430 1.00 0.00 C ATOM 1098 C ASP A 67 61.548 6.023 -7.954 1.00 0.00 C ATOM 1099 O ASP A 67 62.512 5.270 -8.011 1.00 0.00 O ATOM 1100 CB ASP A 67 61.734 8.516 -8.553 1.00 0.00 C ATOM 1101 CG ASP A 67 62.794 8.241 -9.634 1.00 0.00 C ATOM 1102 OD1 ASP A 67 63.853 7.733 -9.304 1.00 0.00 O ATOM 1103 OD2 ASP A 67 62.551 8.548 -10.796 1.00 0.00 O ATOM 0 H ASP A 67 63.730 7.662 -7.092 1.00 0.00 H new ATOM 0 HA ASP A 67 60.775 7.684 -6.857 1.00 0.00 H new ATOM 0 HB2 ASP A 67 60.755 8.576 -9.029 1.00 0.00 H new ATOM 0 HB3 ASP A 67 61.932 9.491 -8.108 1.00 0.00 H new ATOM 1108 N GLU A 68 60.291 5.711 -8.329 1.00 0.00 N ATOM 1109 CA GLU A 68 59.961 4.405 -8.880 1.00 0.00 C ATOM 1110 C GLU A 68 60.664 4.143 -10.224 1.00 0.00 C ATOM 1111 O GLU A 68 60.999 3.014 -10.555 1.00 0.00 O ATOM 1112 CB GLU A 68 58.438 4.255 -9.040 1.00 0.00 C ATOM 1113 CG GLU A 68 57.785 5.223 -10.059 1.00 0.00 C ATOM 1114 CD GLU A 68 56.976 6.348 -9.390 1.00 0.00 C ATOM 1115 OE1 GLU A 68 57.534 7.077 -8.572 1.00 0.00 O ATOM 1116 OE2 GLU A 68 55.794 6.487 -9.703 1.00 0.00 O ATOM 0 H GLU A 68 59.499 6.350 -8.256 1.00 0.00 H new ATOM 0 HA GLU A 68 60.323 3.660 -8.172 1.00 0.00 H new ATOM 0 HB2 GLU A 68 58.219 3.231 -9.344 1.00 0.00 H new ATOM 0 HB3 GLU A 68 57.970 4.406 -8.067 1.00 0.00 H new ATOM 0 HG2 GLU A 68 58.563 5.664 -10.682 1.00 0.00 H new ATOM 0 HG3 GLU A 68 57.130 4.657 -10.721 1.00 0.00 H new ATOM 1123 N LYS A 69 60.880 5.259 -10.967 1.00 0.00 N ATOM 1124 CA LYS A 69 61.536 5.224 -12.263 1.00 0.00 C ATOM 1125 C LYS A 69 62.961 4.671 -12.155 1.00 0.00 C ATOM 1126 O LYS A 69 63.491 4.095 -13.099 1.00 0.00 O ATOM 1127 CB LYS A 69 61.537 6.637 -12.887 1.00 0.00 C ATOM 1128 CG LYS A 69 60.802 6.740 -14.223 1.00 0.00 C ATOM 1129 CD LYS A 69 59.337 6.310 -14.105 1.00 0.00 C ATOM 1130 CE LYS A 69 58.561 6.529 -15.403 1.00 0.00 C ATOM 1131 NZ LYS A 69 57.464 5.583 -15.537 1.00 0.00 N ATOM 0 H LYS A 69 60.599 6.194 -10.671 1.00 0.00 H new ATOM 0 HA LYS A 69 60.978 4.551 -12.914 1.00 0.00 H new ATOM 0 HB2 LYS A 69 61.082 7.332 -12.182 1.00 0.00 H new ATOM 0 HB3 LYS A 69 62.569 6.957 -13.029 1.00 0.00 H new ATOM 0 HG2 LYS A 69 60.851 7.767 -14.586 1.00 0.00 H new ATOM 0 HG3 LYS A 69 61.305 6.117 -14.963 1.00 0.00 H new ATOM 0 HD2 LYS A 69 59.291 5.256 -13.831 1.00 0.00 H new ATOM 0 HD3 LYS A 69 58.860 6.870 -13.301 1.00 0.00 H new ATOM 0 HE2 LYS A 69 58.170 7.546 -15.427 1.00 0.00 H new ATOM 0 HE3 LYS A 69 59.236 6.427 -16.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 56.959 5.761 -16.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 57.840 4.613 -15.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 56.807 5.698 -14.739 1.00 0.00 H new ATOM 1145 N ASN A 70 63.524 4.863 -10.943 1.00 0.00 N ATOM 1146 CA ASN A 70 64.828 4.319 -10.616 1.00 0.00 C ATOM 1147 C ASN A 70 64.624 3.168 -9.634 1.00 0.00 C ATOM 1148 O ASN A 70 63.572 2.535 -9.614 1.00 0.00 O ATOM 1149 CB ASN A 70 65.699 5.445 -10.033 1.00 0.00 C ATOM 1150 CG ASN A 70 67.195 5.344 -10.376 1.00 0.00 C ATOM 1151 OD1 ASN A 70 67.625 4.114 -10.712 1.00 0.00 O flip ATOM 1152 ND2 ASN A 70 67.904 6.342 -10.363 1.00 0.00 N flip ATOM 0 H ASN A 70 63.086 5.391 -10.188 1.00 0.00 H new ATOM 0 HA ASN A 70 65.342 3.930 -11.495 1.00 0.00 H new ATOM 0 HB2 ASN A 70 65.321 6.402 -10.394 1.00 0.00 H new ATOM 0 HB3 ASN A 70 65.588 5.447 -8.949 1.00 0.00 H new ATOM 0 HD21 ASN A 70 67.510 7.244 -10.097 1.00 0.00 H new ATOM 0 HD22 ASN A 70 68.889 6.271 -10.618 1.00 0.00 H new ATOM 1159 N PHE A 71 65.685 2.934 -8.833 1.00 0.00 N ATOM 1160 CA PHE A 71 65.708 1.865 -7.872 1.00 0.00 C ATOM 1161 C PHE A 71 67.001 1.965 -7.043 1.00 0.00 C ATOM 1162 O PHE A 71 68.068 2.262 -7.570 1.00 0.00 O ATOM 1163 CB PHE A 71 65.526 0.489 -8.573 1.00 0.00 C ATOM 1164 CG PHE A 71 66.779 -0.207 -9.013 1.00 0.00 C ATOM 1165 CD1 PHE A 71 67.622 -0.754 -8.061 1.00 0.00 C ATOM 1166 CD2 PHE A 71 67.112 -0.322 -10.356 1.00 0.00 C ATOM 1167 CE1 PHE A 71 68.821 -1.333 -8.421 1.00 0.00 C ATOM 1168 CE2 PHE A 71 68.293 -0.951 -10.728 1.00 0.00 C ATOM 1169 CZ PHE A 71 69.159 -1.432 -9.756 1.00 0.00 C ATOM 0 H PHE A 71 66.538 3.493 -8.852 1.00 0.00 H new ATOM 0 HA PHE A 71 64.869 1.956 -7.183 1.00 0.00 H new ATOM 0 HB2 PHE A 71 64.989 -0.172 -7.893 1.00 0.00 H new ATOM 0 HB3 PHE A 71 64.890 0.632 -9.447 1.00 0.00 H new ATOM 0 HD1 PHE A 71 67.336 -0.727 -7.020 1.00 0.00 H new ATOM 0 HD2 PHE A 71 66.452 0.078 -11.112 1.00 0.00 H new ATOM 0 HE1 PHE A 71 69.492 -1.707 -7.662 1.00 0.00 H new ATOM 0 HE2 PHE A 71 68.537 -1.066 -11.774 1.00 0.00 H new ATOM 0 HZ PHE A 71 70.097 -1.884 -10.044 1.00 0.00 H new ATOM 1179 N VAL A 72 66.848 1.674 -5.735 1.00 0.00 N ATOM 1180 CA VAL A 72 67.972 1.632 -4.809 1.00 0.00 C ATOM 1181 C VAL A 72 68.425 0.188 -4.576 1.00 0.00 C ATOM 1182 O VAL A 72 67.689 -0.754 -4.820 1.00 0.00 O ATOM 1183 CB VAL A 72 67.522 2.298 -3.495 1.00 0.00 C ATOM 1184 CG1 VAL A 72 67.401 1.358 -2.307 1.00 0.00 C ATOM 1185 CG2 VAL A 72 68.457 3.406 -3.061 1.00 0.00 C ATOM 0 H VAL A 72 65.947 1.465 -5.305 1.00 0.00 H new ATOM 0 HA VAL A 72 68.827 2.169 -5.221 1.00 0.00 H new ATOM 0 HB VAL A 72 66.533 2.678 -3.752 1.00 0.00 H new ATOM 0 HG11 VAL A 72 67.079 1.920 -1.430 1.00 0.00 H new ATOM 0 HG12 VAL A 72 66.669 0.582 -2.530 1.00 0.00 H new ATOM 0 HG13 VAL A 72 68.368 0.897 -2.108 1.00 0.00 H new ATOM 0 HG21 VAL A 72 68.096 3.843 -2.130 1.00 0.00 H new ATOM 0 HG22 VAL A 72 69.456 2.999 -2.907 1.00 0.00 H new ATOM 0 HG23 VAL A 72 68.493 4.175 -3.833 1.00 0.00 H new ATOM 1195 N VAL A 73 69.649 0.068 -4.029 1.00 0.00 N ATOM 1196 CA VAL A 73 70.165 -1.243 -3.689 1.00 0.00 C ATOM 1197 C VAL A 73 70.126 -1.482 -2.172 1.00 0.00 C ATOM 1198 O VAL A 73 70.874 -0.875 -1.429 1.00 0.00 O ATOM 1199 CB VAL A 73 71.595 -1.401 -4.214 1.00 0.00 C ATOM 1200 CG1 VAL A 73 72.240 -2.706 -3.728 1.00 0.00 C ATOM 1201 CG2 VAL A 73 71.623 -1.324 -5.745 1.00 0.00 C ATOM 0 H VAL A 73 70.274 0.848 -3.823 1.00 0.00 H new ATOM 0 HA VAL A 73 69.527 -1.989 -4.163 1.00 0.00 H new ATOM 0 HB VAL A 73 72.182 -0.575 -3.812 1.00 0.00 H new ATOM 0 HG11 VAL A 73 73.253 -2.780 -4.122 1.00 0.00 H new ATOM 0 HG12 VAL A 73 72.273 -2.712 -2.639 1.00 0.00 H new ATOM 0 HG13 VAL A 73 71.652 -3.555 -4.077 1.00 0.00 H new ATOM 0 HG21 VAL A 73 72.648 -1.439 -6.096 1.00 0.00 H new ATOM 0 HG22 VAL A 73 71.006 -2.120 -6.161 1.00 0.00 H new ATOM 0 HG23 VAL A 73 71.235 -0.358 -6.068 1.00 0.00 H new ATOM 1211 N VAL A 74 69.268 -2.435 -1.761 1.00 0.00 N ATOM 1212 CA VAL A 74 69.220 -2.848 -0.366 1.00 0.00 C ATOM 1213 C VAL A 74 70.416 -3.772 -0.015 1.00 0.00 C ATOM 1214 O VAL A 74 70.344 -4.987 -0.149 1.00 0.00 O ATOM 1215 CB VAL A 74 67.882 -3.544 -0.063 1.00 0.00 C ATOM 1216 CG1 VAL A 74 67.462 -4.501 -1.184 1.00 0.00 C ATOM 1217 CG2 VAL A 74 67.890 -4.275 1.288 1.00 0.00 C ATOM 0 H VAL A 74 68.612 -2.921 -2.373 1.00 0.00 H new ATOM 0 HA VAL A 74 69.297 -1.957 0.258 1.00 0.00 H new ATOM 0 HB VAL A 74 67.142 -2.746 -0.003 1.00 0.00 H new ATOM 0 HG11 VAL A 74 66.512 -4.969 -0.926 1.00 0.00 H new ATOM 0 HG12 VAL A 74 67.351 -3.945 -2.115 1.00 0.00 H new ATOM 0 HG13 VAL A 74 68.223 -5.271 -1.310 1.00 0.00 H new ATOM 0 HG21 VAL A 74 66.922 -4.748 1.451 1.00 0.00 H new ATOM 0 HG22 VAL A 74 68.670 -5.036 1.285 1.00 0.00 H new ATOM 0 HG23 VAL A 74 68.084 -3.560 2.087 1.00 0.00 H new ATOM 1227 N MET A 75 71.492 -3.126 0.479 1.00 0.00 N ATOM 1228 CA MET A 75 72.657 -3.839 0.984 1.00 0.00 C ATOM 1229 C MET A 75 72.530 -4.046 2.501 1.00 0.00 C ATOM 1230 O MET A 75 72.150 -3.143 3.235 1.00 0.00 O ATOM 1231 CB MET A 75 73.915 -3.029 0.641 1.00 0.00 C ATOM 1232 CG MET A 75 75.194 -3.485 1.368 1.00 0.00 C ATOM 1233 SD MET A 75 75.735 -2.243 2.558 1.00 0.00 S ATOM 1234 CE MET A 75 77.196 -3.079 3.191 1.00 0.00 C ATOM 0 H MET A 75 71.567 -2.110 0.534 1.00 0.00 H new ATOM 0 HA MET A 75 72.727 -4.822 0.519 1.00 0.00 H new ATOM 0 HB2 MET A 75 74.085 -3.086 -0.434 1.00 0.00 H new ATOM 0 HB3 MET A 75 73.732 -1.981 0.880 1.00 0.00 H new ATOM 0 HG2 MET A 75 75.009 -4.429 1.880 1.00 0.00 H new ATOM 0 HG3 MET A 75 75.985 -3.667 0.641 1.00 0.00 H new ATOM 0 HE1 MET A 75 77.672 -2.456 3.948 1.00 0.00 H new ATOM 0 HE2 MET A 75 76.907 -4.032 3.634 1.00 0.00 H new ATOM 0 HE3 MET A 75 77.896 -3.256 2.375 1.00 0.00 H new ATOM 1244 N VAL A 76 72.890 -5.284 2.918 1.00 0.00 N ATOM 1245 CA VAL A 76 72.919 -5.654 4.326 1.00 0.00 C ATOM 1246 C VAL A 76 74.196 -6.445 4.641 1.00 0.00 C ATOM 1247 O VAL A 76 74.567 -7.369 3.925 1.00 0.00 O ATOM 1248 CB VAL A 76 71.663 -6.475 4.706 1.00 0.00 C ATOM 1249 CG1 VAL A 76 71.651 -6.837 6.206 1.00 0.00 C ATOM 1250 CG2 VAL A 76 70.365 -5.777 4.271 1.00 0.00 C ATOM 0 H VAL A 76 73.163 -6.036 2.285 1.00 0.00 H new ATOM 0 HA VAL A 76 72.918 -4.741 4.921 1.00 0.00 H new ATOM 0 HB VAL A 76 71.714 -7.412 4.152 1.00 0.00 H new ATOM 0 HG11 VAL A 76 70.754 -7.413 6.434 1.00 0.00 H new ATOM 0 HG12 VAL A 76 72.534 -7.430 6.444 1.00 0.00 H new ATOM 0 HG13 VAL A 76 71.657 -5.924 6.801 1.00 0.00 H new ATOM 0 HG21 VAL A 76 69.509 -6.388 4.558 1.00 0.00 H new ATOM 0 HG22 VAL A 76 70.295 -4.804 4.757 1.00 0.00 H new ATOM 0 HG23 VAL A 76 70.369 -5.643 3.189 1.00 0.00 H new