USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 453 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 HIS : no HD1:sc= -2.88 K(o=-2.9,f=-1.2) USER MOD Single : A 19 LYS NZ :NH3+ -177:sc= 0.858 (180deg=0.828) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 22 MET CE :methyl 151:sc= -0.0471 (180deg=-0.175) USER MOD Single : A 23 THR OG1 : rot 180:sc= 1.01 USER MOD Single : A 25 HIS : no HE2:sc= -0.898 K(o=-0.9,f=-4.3!) USER MOD Single : A 27 LYS NZ :NH3+ 179:sc= 0 (180deg=-5.65e-05) USER MOD Single : A 42 THR OG1 : rot 160:sc= 0.0231 USER MOD Single : A 44 CYS SG : rot 119:sc= 1.22 USER MOD Single : A 48 SER OG : rot 180:sc= -0.106 USER MOD Single : A 51 THR OG1 : rot -160:sc= -0.735 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -169:sc= 0.9 (180deg=0.608) USER MOD Single : A 68 LYS NZ :NH3+ -133:sc= -1.94! (180deg=-3.94!) USER MOD Single : A 69 MET CE :methyl -167:sc= -1.23 (180deg=-1.57) USER MOD Single : A 74 GLN : amide:sc= -0.0768 X(o=-0.077,f=-0.061) USER MOD Single : A 75 LYS NZ :NH3+ 159:sc= 0.808 (180deg=-0.0535!) USER MOD ----------------------------------------------------------------- ATOM 121 N PRO A 9 -52.366 23.807 -3.789 1.00 0.00 N ATOM 122 CA PRO A 9 -53.297 23.674 -2.646 1.00 0.00 C ATOM 123 C PRO A 9 -52.975 24.713 -1.560 1.00 0.00 C ATOM 124 O PRO A 9 -53.858 25.389 -1.042 1.00 0.00 O ATOM 125 CB PRO A 9 -53.050 22.245 -2.146 1.00 0.00 C ATOM 126 CG PRO A 9 -51.641 21.846 -2.646 1.00 0.00 C ATOM 127 CD PRO A 9 -51.332 22.748 -3.857 1.00 0.00 C ATOM 0 HA PRO A 9 -54.338 23.847 -2.917 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -53.104 22.199 -1.058 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -53.807 21.562 -2.532 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -50.898 21.984 -1.861 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -51.614 20.794 -2.930 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -50.327 23.167 -3.797 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -51.390 22.193 -4.793 1.00 0.00 H new ATOM 135 N ILE A 10 -51.723 24.853 -1.211 1.00 0.00 N ATOM 136 CA ILE A 10 -51.335 25.850 -0.163 1.00 0.00 C ATOM 137 C ILE A 10 -50.914 27.172 -0.829 1.00 0.00 C ATOM 138 O ILE A 10 -51.296 28.252 -0.383 1.00 0.00 O ATOM 139 CB ILE A 10 -50.178 25.281 0.672 1.00 0.00 C ATOM 140 CG1 ILE A 10 -50.642 23.997 1.365 1.00 0.00 C ATOM 141 CG2 ILE A 10 -49.754 26.295 1.737 1.00 0.00 C ATOM 142 CD1 ILE A 10 -49.435 23.260 1.948 1.00 0.00 C ATOM 0 H ILE A 10 -50.949 24.320 -1.606 1.00 0.00 H new ATOM 0 HA ILE A 10 -52.186 26.046 0.490 1.00 0.00 H new ATOM 0 HB ILE A 10 -49.333 25.070 0.016 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -51.352 24.236 2.157 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -51.163 23.356 0.653 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -48.933 25.884 2.325 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -49.428 27.216 1.253 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -50.598 26.509 2.393 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -49.769 22.347 2.440 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -48.741 23.007 1.146 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -48.933 23.900 2.673 1.00 0.00 H new ATOM 154 N SER A 11 -50.140 27.111 -1.889 1.00 0.00 N ATOM 155 CA SER A 11 -49.695 28.371 -2.583 1.00 0.00 C ATOM 156 C SER A 11 -50.898 29.289 -2.861 1.00 0.00 C ATOM 157 O SER A 11 -50.938 30.431 -2.406 1.00 0.00 O ATOM 158 CB SER A 11 -49.005 28.021 -3.906 1.00 0.00 C ATOM 159 OG SER A 11 -47.887 28.881 -4.091 1.00 0.00 O ATOM 0 H SER A 11 -49.796 26.246 -2.305 1.00 0.00 H new ATOM 0 HA SER A 11 -48.995 28.894 -1.932 1.00 0.00 H new ATOM 0 HB2 SER A 11 -48.681 26.980 -3.897 1.00 0.00 H new ATOM 0 HB3 SER A 11 -49.704 28.130 -4.735 1.00 0.00 H new ATOM 0 HG SER A 11 -47.441 28.660 -4.935 1.00 0.00 H new ATOM 165 N GLN A 12 -51.880 28.817 -3.593 1.00 0.00 N ATOM 166 CA GLN A 12 -53.076 29.671 -3.897 1.00 0.00 C ATOM 167 C GLN A 12 -53.755 30.125 -2.593 1.00 0.00 C ATOM 168 O GLN A 12 -54.165 31.278 -2.465 1.00 0.00 O ATOM 169 CB GLN A 12 -54.065 28.881 -4.762 1.00 0.00 C ATOM 170 CG GLN A 12 -54.181 29.552 -6.138 1.00 0.00 C ATOM 171 CD GLN A 12 -54.609 28.523 -7.185 1.00 0.00 C ATOM 172 OE1 GLN A 12 -55.691 27.958 -7.105 1.00 0.00 O ATOM 173 NE2 GLN A 12 -53.815 28.248 -8.174 1.00 0.00 N ATOM 0 H GLN A 12 -51.906 27.879 -3.993 1.00 0.00 H new ATOM 0 HA GLN A 12 -52.751 30.557 -4.442 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -53.726 27.851 -4.874 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -55.041 28.845 -4.278 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -54.907 30.364 -6.096 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -53.225 29.993 -6.419 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -52.911 28.715 -8.247 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -54.095 27.565 -8.878 1.00 0.00 H new ATOM 182 N VAL A 13 -53.868 29.259 -1.614 1.00 0.00 N ATOM 183 CA VAL A 13 -54.501 29.676 -0.320 1.00 0.00 C ATOM 184 C VAL A 13 -53.710 30.862 0.253 1.00 0.00 C ATOM 185 O VAL A 13 -54.284 31.844 0.721 1.00 0.00 O ATOM 186 CB VAL A 13 -54.488 28.505 0.671 1.00 0.00 C ATOM 187 CG1 VAL A 13 -54.929 28.993 2.053 1.00 0.00 C ATOM 188 CG2 VAL A 13 -55.460 27.424 0.198 1.00 0.00 C ATOM 0 H VAL A 13 -53.553 28.290 -1.653 1.00 0.00 H new ATOM 0 HA VAL A 13 -55.536 29.971 -0.491 1.00 0.00 H new ATOM 0 HB VAL A 13 -53.478 28.099 0.728 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -54.918 28.158 2.754 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -54.245 29.768 2.401 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -55.938 29.401 1.990 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -55.450 26.592 0.903 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -56.466 27.839 0.141 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -55.158 27.069 -0.787 1.00 0.00 H new ATOM 198 N HIS A 14 -52.403 30.806 0.192 1.00 0.00 N ATOM 199 CA HIS A 14 -51.586 31.947 0.693 1.00 0.00 C ATOM 200 C HIS A 14 -51.835 33.153 -0.223 1.00 0.00 C ATOM 201 O HIS A 14 -51.895 34.294 0.226 1.00 0.00 O ATOM 202 CB HIS A 14 -50.105 31.561 0.677 1.00 0.00 C ATOM 203 CG HIS A 14 -49.799 30.726 1.888 1.00 0.00 C ATOM 204 ND1 HIS A 14 -49.025 31.195 2.935 1.00 0.00 N ATOM 205 CD2 HIS A 14 -50.160 29.449 2.231 1.00 0.00 C ATOM 206 CE1 HIS A 14 -48.944 30.209 3.851 1.00 0.00 C ATOM 207 NE2 HIS A 14 -49.620 29.125 3.470 1.00 0.00 N ATOM 0 H HIS A 14 -51.870 30.021 -0.182 1.00 0.00 H new ATOM 0 HA HIS A 14 -51.865 32.199 1.716 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -49.872 31.005 -0.231 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -49.484 32.456 0.671 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -50.772 28.793 1.629 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -48.398 30.288 4.780 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -49.720 28.246 3.979 1.00 0.00 H new ATOM 215 N GLU A 15 -52.004 32.908 -1.498 1.00 0.00 N ATOM 216 CA GLU A 15 -52.280 34.004 -2.465 1.00 0.00 C ATOM 217 C GLU A 15 -53.599 34.708 -2.097 1.00 0.00 C ATOM 218 O GLU A 15 -53.641 35.927 -1.924 1.00 0.00 O ATOM 219 CB GLU A 15 -52.398 33.383 -3.856 1.00 0.00 C ATOM 220 CG GLU A 15 -51.686 34.267 -4.874 1.00 0.00 C ATOM 221 CD GLU A 15 -52.695 34.792 -5.893 1.00 0.00 C ATOM 222 OE1 GLU A 15 -52.978 34.082 -6.836 1.00 0.00 O ATOM 223 OE2 GLU A 15 -53.166 35.902 -5.710 1.00 0.00 O ATOM 0 H GLU A 15 -51.961 31.977 -1.913 1.00 0.00 H new ATOM 0 HA GLU A 15 -51.477 34.740 -2.442 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -51.961 32.385 -3.858 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -53.448 33.272 -4.128 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -51.198 35.100 -4.368 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -50.905 33.699 -5.380 1.00 0.00 H new ATOM 230 N ILE A 16 -54.675 33.965 -1.969 1.00 0.00 N ATOM 231 CA ILE A 16 -55.987 34.589 -1.604 1.00 0.00 C ATOM 232 C ILE A 16 -55.926 35.116 -0.160 1.00 0.00 C ATOM 233 O ILE A 16 -56.454 36.188 0.147 1.00 0.00 O ATOM 234 CB ILE A 16 -57.122 33.559 -1.741 1.00 0.00 C ATOM 235 CG1 ILE A 16 -56.740 32.239 -1.066 1.00 0.00 C ATOM 236 CG2 ILE A 16 -57.401 33.293 -3.221 1.00 0.00 C ATOM 237 CD1 ILE A 16 -57.607 32.026 0.175 1.00 0.00 C ATOM 0 H ILE A 16 -54.700 32.954 -2.102 1.00 0.00 H new ATOM 0 HA ILE A 16 -56.186 35.420 -2.281 1.00 0.00 H new ATOM 0 HB ILE A 16 -58.011 33.964 -1.257 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -56.875 31.411 -1.762 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -55.686 32.253 -0.787 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -58.205 32.563 -3.314 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -57.696 34.222 -3.708 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -56.501 32.904 -3.697 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -57.333 31.086 0.653 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -57.450 32.848 0.874 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -58.657 31.992 -0.116 1.00 0.00 H new ATOM 249 N GLY A 17 -55.280 34.395 0.729 1.00 0.00 N ATOM 250 CA GLY A 17 -55.166 34.865 2.149 1.00 0.00 C ATOM 251 C GLY A 17 -54.398 36.189 2.169 1.00 0.00 C ATOM 252 O GLY A 17 -54.863 37.195 2.711 1.00 0.00 O ATOM 0 H GLY A 17 -54.827 33.502 0.532 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -56.157 34.997 2.584 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -54.649 34.119 2.753 1.00 0.00 H new ATOM 256 N ILE A 18 -53.242 36.212 1.557 1.00 0.00 N ATOM 257 CA ILE A 18 -52.432 37.467 1.491 1.00 0.00 C ATOM 258 C ILE A 18 -53.005 38.358 0.375 1.00 0.00 C ATOM 259 O ILE A 18 -52.340 38.679 -0.613 1.00 0.00 O ATOM 260 CB ILE A 18 -50.969 37.111 1.187 1.00 0.00 C ATOM 261 CG1 ILE A 18 -50.409 36.215 2.300 1.00 0.00 C ATOM 262 CG2 ILE A 18 -50.131 38.389 1.093 1.00 0.00 C ATOM 263 CD1 ILE A 18 -50.434 36.961 3.636 1.00 0.00 C ATOM 0 H ILE A 18 -52.820 35.407 1.095 1.00 0.00 H new ATOM 0 HA ILE A 18 -52.473 37.999 2.441 1.00 0.00 H new ATOM 0 HB ILE A 18 -50.925 36.579 0.237 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -50.999 35.301 2.373 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -49.388 35.917 2.059 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -49.095 38.129 0.877 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -50.520 39.021 0.295 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -50.181 38.927 2.040 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -50.035 36.317 4.420 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -49.825 37.862 3.561 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -51.460 37.236 3.880 1.00 0.00 H new ATOM 275 N LYS A 19 -54.242 38.748 0.510 1.00 0.00 N ATOM 276 CA LYS A 19 -54.888 39.600 -0.534 1.00 0.00 C ATOM 277 C LYS A 19 -56.210 40.159 0.011 1.00 0.00 C ATOM 278 O LYS A 19 -56.440 41.366 0.003 1.00 0.00 O ATOM 279 CB LYS A 19 -55.153 38.744 -1.779 1.00 0.00 C ATOM 280 CG LYS A 19 -55.041 39.611 -3.039 1.00 0.00 C ATOM 281 CD LYS A 19 -54.291 38.836 -4.135 1.00 0.00 C ATOM 282 CE LYS A 19 -52.807 38.710 -3.770 1.00 0.00 C ATOM 283 NZ LYS A 19 -52.099 37.935 -4.830 1.00 0.00 N ATOM 0 H LYS A 19 -54.839 38.513 1.303 1.00 0.00 H new ATOM 0 HA LYS A 19 -54.234 40.431 -0.797 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -54.437 37.923 -1.826 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -56.146 38.298 -1.720 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -56.035 39.888 -3.391 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -54.514 40.537 -2.809 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -54.729 37.845 -4.255 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -54.396 39.349 -5.091 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -52.361 39.699 -3.669 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -52.699 38.212 -2.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -51.103 37.805 -4.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -52.552 37.005 -4.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -52.148 38.454 -5.730 1.00 0.00 H new ATOM 297 N ARG A 20 -57.076 39.306 0.500 1.00 0.00 N ATOM 298 CA ARG A 20 -58.378 39.786 1.063 1.00 0.00 C ATOM 299 C ARG A 20 -58.253 39.934 2.595 1.00 0.00 C ATOM 300 O ARG A 20 -59.206 39.698 3.335 1.00 0.00 O ATOM 301 CB ARG A 20 -59.479 38.767 0.721 1.00 0.00 C ATOM 302 CG ARG A 20 -60.763 39.502 0.312 1.00 0.00 C ATOM 303 CD ARG A 20 -61.479 38.716 -0.792 1.00 0.00 C ATOM 304 NE ARG A 20 -62.935 39.069 -0.789 1.00 0.00 N ATOM 305 CZ ARG A 20 -63.829 38.144 -0.923 1.00 0.00 C ATOM 306 NH1 ARG A 20 -64.025 37.296 0.021 1.00 0.00 N ATOM 307 NH2 ARG A 20 -64.523 38.072 -2.002 1.00 0.00 N ATOM 0 H ARG A 20 -56.938 38.296 0.534 1.00 0.00 H new ATOM 0 HA ARG A 20 -58.634 40.754 0.633 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -59.147 38.118 -0.090 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -59.674 38.127 1.582 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -61.419 39.615 1.175 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -60.523 40.505 -0.040 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -61.039 38.947 -1.762 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -61.353 37.645 -0.632 1.00 0.00 H new ATOM 0 HE ARG A 20 -63.222 40.042 -0.681 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -63.475 37.351 0.878 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -64.730 36.567 -0.086 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -64.369 38.744 -2.753 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -65.228 37.342 -2.107 1.00 0.00 H new ATOM 321 N ASN A 21 -57.090 40.318 3.078 1.00 0.00 N ATOM 322 CA ASN A 21 -56.879 40.482 4.557 1.00 0.00 C ATOM 323 C ASN A 21 -57.243 39.178 5.291 1.00 0.00 C ATOM 324 O ASN A 21 -58.061 39.167 6.211 1.00 0.00 O ATOM 325 CB ASN A 21 -57.750 41.633 5.075 1.00 0.00 C ATOM 326 CG ASN A 21 -57.258 42.952 4.487 1.00 0.00 C ATOM 327 OD1 ASN A 21 -56.087 43.289 4.596 1.00 0.00 O ATOM 328 ND2 ASN A 21 -58.092 43.725 3.864 1.00 0.00 N ATOM 0 H ASN A 21 -56.272 40.526 2.506 1.00 0.00 H new ATOM 0 HA ASN A 21 -55.830 40.710 4.745 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -58.791 41.467 4.800 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -57.710 41.671 6.164 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -57.770 44.608 3.468 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -59.070 43.450 3.770 1.00 0.00 H new ATOM 335 N MET A 22 -56.654 38.079 4.900 1.00 0.00 N ATOM 336 CA MET A 22 -56.974 36.782 5.566 1.00 0.00 C ATOM 337 C MET A 22 -55.702 36.173 6.176 1.00 0.00 C ATOM 338 O MET A 22 -54.652 36.108 5.538 1.00 0.00 O ATOM 339 CB MET A 22 -57.574 35.836 4.525 1.00 0.00 C ATOM 340 CG MET A 22 -59.081 36.089 4.423 1.00 0.00 C ATOM 341 SD MET A 22 -59.890 34.649 3.684 1.00 0.00 S ATOM 342 CE MET A 22 -61.338 34.624 4.768 1.00 0.00 C ATOM 0 H MET A 22 -55.966 38.023 4.149 1.00 0.00 H new ATOM 0 HA MET A 22 -57.691 36.943 6.371 1.00 0.00 H new ATOM 0 HB2 MET A 22 -57.100 35.995 3.556 1.00 0.00 H new ATOM 0 HB3 MET A 22 -57.385 34.800 4.806 1.00 0.00 H new ATOM 0 HG2 MET A 22 -59.495 36.283 5.412 1.00 0.00 H new ATOM 0 HG3 MET A 22 -59.271 36.976 3.818 1.00 0.00 H new ATOM 0 HE1 MET A 22 -62.186 34.198 4.232 1.00 0.00 H new ATOM 0 HE2 MET A 22 -61.123 34.018 5.648 1.00 0.00 H new ATOM 0 HE3 MET A 22 -61.578 35.641 5.078 1.00 0.00 H new ATOM 352 N THR A 23 -55.775 35.729 7.405 1.00 0.00 N ATOM 353 CA THR A 23 -54.573 35.131 8.066 1.00 0.00 C ATOM 354 C THR A 23 -54.468 33.645 7.723 1.00 0.00 C ATOM 355 O THR A 23 -55.144 32.811 8.312 1.00 0.00 O ATOM 356 CB THR A 23 -54.691 35.286 9.587 1.00 0.00 C ATOM 357 OG1 THR A 23 -56.063 35.290 9.965 1.00 0.00 O ATOM 358 CG2 THR A 23 -54.048 36.601 10.018 1.00 0.00 C ATOM 0 H THR A 23 -56.616 35.754 7.981 1.00 0.00 H new ATOM 0 HA THR A 23 -53.683 35.648 7.709 1.00 0.00 H new ATOM 0 HB THR A 23 -54.183 34.452 10.072 1.00 0.00 H new ATOM 0 HG1 THR A 23 -56.134 35.387 10.938 1.00 0.00 H new ATOM 0 HG21 THR A 23 -54.132 36.710 11.099 1.00 0.00 H new ATOM 0 HG22 THR A 23 -52.996 36.602 9.734 1.00 0.00 H new ATOM 0 HG23 THR A 23 -54.556 37.432 9.529 1.00 0.00 H new ATOM 366 N VAL A 24 -53.631 33.290 6.788 1.00 0.00 N ATOM 367 CA VAL A 24 -53.489 31.844 6.425 1.00 0.00 C ATOM 368 C VAL A 24 -52.765 31.108 7.563 1.00 0.00 C ATOM 369 O VAL A 24 -51.537 31.121 7.657 1.00 0.00 O ATOM 370 CB VAL A 24 -52.687 31.711 5.124 1.00 0.00 C ATOM 371 CG1 VAL A 24 -52.574 30.236 4.740 1.00 0.00 C ATOM 372 CG2 VAL A 24 -53.401 32.463 4.000 1.00 0.00 C ATOM 0 H VAL A 24 -53.040 33.932 6.260 1.00 0.00 H new ATOM 0 HA VAL A 24 -54.476 31.405 6.277 1.00 0.00 H new ATOM 0 HB VAL A 24 -51.692 32.131 5.274 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -52.004 30.143 3.816 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -52.066 29.691 5.536 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -53.571 29.820 4.595 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -52.829 32.367 3.077 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -54.396 32.042 3.856 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -53.488 33.517 4.265 1.00 0.00 H new ATOM 382 N HIS A 25 -53.499 30.485 8.445 1.00 0.00 N ATOM 383 CA HIS A 25 -52.851 29.769 9.586 1.00 0.00 C ATOM 384 C HIS A 25 -53.154 28.262 9.509 1.00 0.00 C ATOM 385 O HIS A 25 -54.009 27.736 10.231 1.00 0.00 O ATOM 386 CB HIS A 25 -53.380 30.350 10.901 1.00 0.00 C ATOM 387 CG HIS A 25 -52.871 31.756 11.091 1.00 0.00 C ATOM 388 ND1 HIS A 25 -51.886 32.311 10.287 1.00 0.00 N ATOM 389 CD2 HIS A 25 -53.205 32.731 11.996 1.00 0.00 C ATOM 390 CE1 HIS A 25 -51.667 33.566 10.722 1.00 0.00 C ATOM 391 NE2 HIS A 25 -52.445 33.871 11.762 1.00 0.00 N ATOM 0 H HIS A 25 -54.518 30.440 8.427 1.00 0.00 H new ATOM 0 HA HIS A 25 -51.770 29.903 9.536 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -54.470 30.348 10.896 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -53.064 29.725 11.736 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -51.414 31.852 9.508 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -53.947 32.628 12.774 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -50.949 34.243 10.283 1.00 0.00 H new ATOM 399 N PHE A 26 -52.457 27.560 8.653 1.00 0.00 N ATOM 400 CA PHE A 26 -52.674 26.083 8.512 1.00 0.00 C ATOM 401 C PHE A 26 -52.176 25.356 9.773 1.00 0.00 C ATOM 402 O PHE A 26 -51.378 25.890 10.545 1.00 0.00 O ATOM 403 CB PHE A 26 -51.885 25.576 7.296 1.00 0.00 C ATOM 404 CG PHE A 26 -52.775 25.545 6.077 1.00 0.00 C ATOM 405 CD1 PHE A 26 -53.718 24.523 5.923 1.00 0.00 C ATOM 406 CD2 PHE A 26 -52.653 26.537 5.097 1.00 0.00 C ATOM 407 CE1 PHE A 26 -54.540 24.492 4.790 1.00 0.00 C ATOM 408 CE2 PHE A 26 -53.475 26.507 3.964 1.00 0.00 C ATOM 409 CZ PHE A 26 -54.418 25.485 3.811 1.00 0.00 C ATOM 0 H PHE A 26 -51.740 27.947 8.039 1.00 0.00 H new ATOM 0 HA PHE A 26 -53.738 25.886 8.380 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -51.027 26.223 7.113 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -51.494 24.578 7.496 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -53.812 23.757 6.679 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -51.925 27.326 5.215 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -55.268 23.703 4.672 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -53.381 27.273 3.208 1.00 0.00 H new ATOM 0 HZ PHE A 26 -55.052 25.462 2.937 1.00 0.00 H new ATOM 419 N LYS A 27 -52.632 24.149 9.999 1.00 0.00 N ATOM 420 CA LYS A 27 -52.182 23.382 11.204 1.00 0.00 C ATOM 421 C LYS A 27 -52.766 21.959 11.175 1.00 0.00 C ATOM 422 O LYS A 27 -53.490 21.577 10.254 1.00 0.00 O ATOM 423 CB LYS A 27 -52.637 24.106 12.482 1.00 0.00 C ATOM 424 CG LYS A 27 -54.136 24.422 12.408 1.00 0.00 C ATOM 425 CD LYS A 27 -54.477 25.537 13.404 1.00 0.00 C ATOM 426 CE LYS A 27 -53.811 26.844 12.966 1.00 0.00 C ATOM 427 NZ LYS A 27 -52.846 27.282 14.018 1.00 0.00 N ATOM 0 H LYS A 27 -53.298 23.660 9.401 1.00 0.00 H new ATOM 0 HA LYS A 27 -51.094 23.317 11.195 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -52.432 23.484 13.353 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -52.070 25.028 12.608 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -54.404 24.729 11.397 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -54.718 23.528 12.634 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -55.557 25.669 13.460 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -54.137 25.262 14.403 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -53.293 26.702 12.018 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -54.565 27.614 12.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -52.379 28.161 13.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -53.356 27.449 14.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -52.130 26.542 14.162 1.00 0.00 H new ATOM 441 N VAL A 28 -52.464 21.169 12.166 1.00 0.00 N ATOM 442 CA VAL A 28 -52.993 19.772 12.215 1.00 0.00 C ATOM 443 C VAL A 28 -53.559 19.504 13.616 1.00 0.00 C ATOM 444 O VAL A 28 -53.124 20.104 14.598 1.00 0.00 O ATOM 445 CB VAL A 28 -51.858 18.783 11.913 1.00 0.00 C ATOM 446 CG1 VAL A 28 -52.424 17.369 11.793 1.00 0.00 C ATOM 447 CG2 VAL A 28 -51.182 19.157 10.592 1.00 0.00 C ATOM 0 H VAL A 28 -51.869 21.430 12.952 1.00 0.00 H new ATOM 0 HA VAL A 28 -53.780 19.646 11.472 1.00 0.00 H new ATOM 0 HB VAL A 28 -51.131 18.823 12.724 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -51.615 16.670 11.579 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -52.906 17.089 12.730 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -53.155 17.337 10.985 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -50.377 18.452 10.383 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -51.915 19.122 9.786 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -50.772 20.164 10.666 1.00 0.00 H new ATOM 457 N LEU A 29 -54.520 18.627 13.731 1.00 0.00 N ATOM 458 CA LEU A 29 -55.105 18.333 15.079 1.00 0.00 C ATOM 459 C LEU A 29 -54.397 17.119 15.683 1.00 0.00 C ATOM 460 O LEU A 29 -53.906 17.161 16.810 1.00 0.00 O ATOM 461 CB LEU A 29 -56.610 18.042 14.954 1.00 0.00 C ATOM 462 CG LEU A 29 -57.242 18.965 13.912 1.00 0.00 C ATOM 463 CD1 LEU A 29 -58.744 18.709 13.852 1.00 0.00 C ATOM 464 CD2 LEU A 29 -57.003 20.422 14.301 1.00 0.00 C ATOM 0 H LEU A 29 -54.926 18.102 12.956 1.00 0.00 H new ATOM 0 HA LEU A 29 -54.967 19.200 15.725 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -56.764 17.001 14.669 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -57.097 18.184 15.919 1.00 0.00 H new ATOM 0 HG LEU A 29 -56.792 18.767 12.939 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -59.196 19.367 13.109 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -58.925 17.670 13.575 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -59.186 18.907 14.829 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -57.455 21.076 13.556 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -57.452 20.617 15.275 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -55.931 20.614 14.350 1.00 0.00 H new ATOM 476 N ARG A 30 -54.335 16.043 14.946 1.00 0.00 N ATOM 477 CA ARG A 30 -53.652 14.810 15.454 1.00 0.00 C ATOM 478 C ARG A 30 -53.796 13.666 14.440 1.00 0.00 C ATOM 479 O ARG A 30 -54.885 13.394 13.932 1.00 0.00 O ATOM 480 CB ARG A 30 -54.276 14.380 16.788 1.00 0.00 C ATOM 481 CG ARG A 30 -53.306 13.452 17.527 1.00 0.00 C ATOM 482 CD ARG A 30 -54.010 12.136 17.859 1.00 0.00 C ATOM 483 NE ARG A 30 -54.448 12.148 19.287 1.00 0.00 N ATOM 484 CZ ARG A 30 -55.440 12.883 19.653 1.00 0.00 C ATOM 485 NH1 ARG A 30 -56.634 12.400 19.615 1.00 0.00 N ATOM 486 NH2 ARG A 30 -55.232 14.097 20.047 1.00 0.00 N ATOM 0 H ARG A 30 -54.729 15.961 14.009 1.00 0.00 H new ATOM 0 HA ARG A 30 -52.595 15.034 15.598 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -54.495 15.256 17.399 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -55.223 13.869 16.612 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -52.428 13.261 16.910 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -52.955 13.930 18.442 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -54.871 11.998 17.205 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -53.337 11.297 17.682 1.00 0.00 H new ATOM 0 HE ARG A 30 -53.960 11.573 19.974 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -56.787 11.443 19.297 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -57.426 12.975 19.903 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -54.283 14.471 20.068 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -56.017 14.681 20.337 1.00 0.00 H new ATOM 631 N PHE A 40 -54.988 11.726 9.030 1.00 0.00 N ATOM 632 CA PHE A 40 -54.340 13.056 9.278 1.00 0.00 C ATOM 633 C PHE A 40 -55.390 14.183 9.281 1.00 0.00 C ATOM 634 O PHE A 40 -55.685 14.793 8.247 1.00 0.00 O ATOM 635 CB PHE A 40 -53.300 13.316 8.183 1.00 0.00 C ATOM 636 CG PHE A 40 -52.078 12.462 8.433 1.00 0.00 C ATOM 637 CD1 PHE A 40 -52.113 11.089 8.164 1.00 0.00 C ATOM 638 CD2 PHE A 40 -50.908 13.043 8.933 1.00 0.00 C ATOM 639 CE1 PHE A 40 -50.980 10.299 8.394 1.00 0.00 C ATOM 640 CE2 PHE A 40 -49.775 12.255 9.163 1.00 0.00 C ATOM 641 CZ PHE A 40 -49.811 10.883 8.894 1.00 0.00 C ATOM 0 HA PHE A 40 -53.856 13.040 10.255 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -53.722 13.087 7.204 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -53.024 14.370 8.172 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -53.015 10.638 7.778 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -50.879 14.102 9.142 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -51.008 9.240 8.186 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -48.873 12.706 9.548 1.00 0.00 H new ATOM 0 HZ PHE A 40 -48.937 10.274 9.072 1.00 0.00 H new ATOM 651 N ILE A 41 -55.947 14.486 10.428 1.00 0.00 N ATOM 652 CA ILE A 41 -56.970 15.582 10.508 1.00 0.00 C ATOM 653 C ILE A 41 -56.267 16.941 10.382 1.00 0.00 C ATOM 654 O ILE A 41 -55.670 17.450 11.334 1.00 0.00 O ATOM 655 CB ILE A 41 -57.720 15.514 11.847 1.00 0.00 C ATOM 656 CG1 ILE A 41 -58.056 14.059 12.201 1.00 0.00 C ATOM 657 CG2 ILE A 41 -59.022 16.308 11.741 1.00 0.00 C ATOM 658 CD1 ILE A 41 -58.804 13.397 11.038 1.00 0.00 C ATOM 0 H ILE A 41 -55.739 14.024 11.313 1.00 0.00 H new ATOM 0 HA ILE A 41 -57.688 15.460 9.697 1.00 0.00 H new ATOM 0 HB ILE A 41 -57.082 15.935 12.625 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -57.141 13.508 12.417 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -58.667 14.027 13.103 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -59.555 16.261 12.690 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -58.796 17.347 11.503 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -59.644 15.883 10.954 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -59.039 12.365 11.297 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -59.728 13.941 10.843 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -58.178 13.414 10.146 1.00 0.00 H new ATOM 670 N THR A 42 -56.314 17.532 9.219 1.00 0.00 N ATOM 671 CA THR A 42 -55.636 18.853 9.010 1.00 0.00 C ATOM 672 C THR A 42 -56.623 20.008 9.250 1.00 0.00 C ATOM 673 O THR A 42 -57.810 19.907 8.945 1.00 0.00 O ATOM 674 CB THR A 42 -55.089 18.922 7.574 1.00 0.00 C ATOM 675 OG1 THR A 42 -54.306 17.757 7.298 1.00 0.00 O ATOM 676 CG2 THR A 42 -54.212 20.162 7.420 1.00 0.00 C ATOM 0 H THR A 42 -56.793 17.159 8.399 1.00 0.00 H new ATOM 0 HA THR A 42 -54.814 18.948 9.720 1.00 0.00 H new ATOM 0 HB THR A 42 -55.925 18.973 6.876 1.00 0.00 H new ATOM 0 HG1 THR A 42 -54.229 17.637 6.328 1.00 0.00 H new ATOM 0 HG21 THR A 42 -53.825 20.210 6.402 1.00 0.00 H new ATOM 0 HG22 THR A 42 -54.804 21.054 7.625 1.00 0.00 H new ATOM 0 HG23 THR A 42 -53.380 20.109 8.122 1.00 0.00 H new ATOM 684 N ALA A 43 -56.149 21.099 9.796 1.00 0.00 N ATOM 685 CA ALA A 43 -57.039 22.274 10.073 1.00 0.00 C ATOM 686 C ALA A 43 -56.347 23.574 9.625 1.00 0.00 C ATOM 687 O ALA A 43 -55.125 23.643 9.514 1.00 0.00 O ATOM 688 CB ALA A 43 -57.311 22.336 11.578 1.00 0.00 C ATOM 0 H ALA A 43 -55.174 21.230 10.065 1.00 0.00 H new ATOM 0 HA ALA A 43 -57.974 22.164 9.524 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -57.957 23.186 11.796 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -57.801 21.416 11.897 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -56.369 22.450 12.114 1.00 0.00 H new ATOM 694 N CYS A 44 -57.102 24.606 9.371 1.00 0.00 N ATOM 695 CA CYS A 44 -56.488 25.903 8.937 1.00 0.00 C ATOM 696 C CYS A 44 -57.387 27.066 9.367 1.00 0.00 C ATOM 697 O CYS A 44 -58.551 27.136 8.978 1.00 0.00 O ATOM 698 CB CYS A 44 -56.340 25.912 7.414 1.00 0.00 C ATOM 699 SG CYS A 44 -55.494 27.428 6.899 1.00 0.00 S ATOM 0 H CYS A 44 -58.119 24.612 9.444 1.00 0.00 H new ATOM 0 HA CYS A 44 -55.507 26.012 9.400 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -55.775 25.039 7.088 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -57.321 25.852 6.942 1.00 0.00 H new ATOM 0 HG CYS A 44 -54.383 27.122 6.298 1.00 0.00 H new ATOM 705 N ILE A 45 -56.883 27.980 10.155 1.00 0.00 N ATOM 706 CA ILE A 45 -57.735 29.132 10.589 1.00 0.00 C ATOM 707 C ILE A 45 -57.390 30.371 9.758 1.00 0.00 C ATOM 708 O ILE A 45 -56.224 30.680 9.517 1.00 0.00 O ATOM 709 CB ILE A 45 -57.541 29.413 12.092 1.00 0.00 C ATOM 710 CG1 ILE A 45 -58.794 30.103 12.645 1.00 0.00 C ATOM 711 CG2 ILE A 45 -56.331 30.325 12.322 1.00 0.00 C ATOM 712 CD1 ILE A 45 -58.644 30.308 14.155 1.00 0.00 C ATOM 0 H ILE A 45 -55.929 27.981 10.515 1.00 0.00 H new ATOM 0 HA ILE A 45 -58.783 28.879 10.427 1.00 0.00 H new ATOM 0 HB ILE A 45 -57.372 28.465 12.603 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -58.941 31.063 12.150 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -59.677 29.498 12.436 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -56.213 30.510 13.390 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -55.433 29.843 11.936 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -56.485 31.272 11.804 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -59.535 30.798 14.546 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -58.518 29.341 14.643 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -57.771 30.930 14.353 1.00 0.00 H new ATOM 724 N VAL A 46 -58.391 31.076 9.314 1.00 0.00 N ATOM 725 CA VAL A 46 -58.163 32.300 8.495 1.00 0.00 C ATOM 726 C VAL A 46 -59.111 33.400 8.983 1.00 0.00 C ATOM 727 O VAL A 46 -60.332 33.283 8.879 1.00 0.00 O ATOM 728 CB VAL A 46 -58.438 31.984 7.021 1.00 0.00 C ATOM 729 CG1 VAL A 46 -58.294 33.254 6.188 1.00 0.00 C ATOM 730 CG2 VAL A 46 -57.429 30.948 6.523 1.00 0.00 C ATOM 0 H VAL A 46 -59.372 30.854 9.486 1.00 0.00 H new ATOM 0 HA VAL A 46 -57.131 32.636 8.597 1.00 0.00 H new ATOM 0 HB VAL A 46 -59.450 31.592 6.923 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -58.490 33.026 5.140 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -59.007 34.001 6.537 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -57.281 33.644 6.291 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -57.625 30.724 5.475 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -56.419 31.345 6.626 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -57.523 30.036 7.113 1.00 0.00 H new ATOM 740 N GLY A 47 -58.579 34.461 9.535 1.00 0.00 N ATOM 741 CA GLY A 47 -59.460 35.559 10.049 1.00 0.00 C ATOM 742 C GLY A 47 -60.442 34.995 11.087 1.00 0.00 C ATOM 743 O GLY A 47 -61.623 35.331 11.083 1.00 0.00 O ATOM 0 H GLY A 47 -57.578 34.616 9.653 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -58.853 36.345 10.499 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -60.009 36.013 9.224 1.00 0.00 H new ATOM 747 N SER A 48 -59.966 34.140 11.968 1.00 0.00 N ATOM 748 CA SER A 48 -60.840 33.522 13.033 1.00 0.00 C ATOM 749 C SER A 48 -61.610 32.306 12.488 1.00 0.00 C ATOM 750 O SER A 48 -61.868 31.351 13.217 1.00 0.00 O ATOM 751 CB SER A 48 -61.836 34.550 13.579 1.00 0.00 C ATOM 752 OG SER A 48 -61.156 35.776 13.827 1.00 0.00 O ATOM 0 H SER A 48 -58.992 33.837 11.997 1.00 0.00 H new ATOM 0 HA SER A 48 -60.185 33.190 13.838 1.00 0.00 H new ATOM 0 HB2 SER A 48 -62.644 34.707 12.864 1.00 0.00 H new ATOM 0 HB3 SER A 48 -62.291 34.181 14.498 1.00 0.00 H new ATOM 0 HG SER A 48 -61.790 36.437 14.175 1.00 0.00 H new ATOM 758 N ILE A 49 -61.986 32.310 11.235 1.00 0.00 N ATOM 759 CA ILE A 49 -62.743 31.142 10.675 1.00 0.00 C ATOM 760 C ILE A 49 -61.769 30.015 10.301 1.00 0.00 C ATOM 761 O ILE A 49 -60.916 30.174 9.431 1.00 0.00 O ATOM 762 CB ILE A 49 -63.514 31.592 9.426 1.00 0.00 C ATOM 763 CG1 ILE A 49 -64.501 32.698 9.806 1.00 0.00 C ATOM 764 CG2 ILE A 49 -64.291 30.408 8.844 1.00 0.00 C ATOM 765 CD1 ILE A 49 -64.968 33.421 8.541 1.00 0.00 C ATOM 0 H ILE A 49 -61.804 33.066 10.575 1.00 0.00 H new ATOM 0 HA ILE A 49 -63.441 30.771 11.425 1.00 0.00 H new ATOM 0 HB ILE A 49 -62.807 31.966 8.685 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -65.356 32.272 10.331 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -64.027 33.404 10.488 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -64.837 30.731 7.958 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -63.595 29.614 8.572 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -64.995 30.034 9.587 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -65.671 34.209 8.811 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -64.108 33.860 8.034 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -65.458 32.710 7.875 1.00 0.00 H new ATOM 777 N VAL A 50 -61.876 28.874 10.933 1.00 0.00 N ATOM 778 CA VAL A 50 -60.949 27.747 10.591 1.00 0.00 C ATOM 779 C VAL A 50 -61.675 26.697 9.752 1.00 0.00 C ATOM 780 O VAL A 50 -62.901 26.609 9.736 1.00 0.00 O ATOM 781 CB VAL A 50 -60.392 27.097 11.872 1.00 0.00 C ATOM 782 CG1 VAL A 50 -61.531 26.681 12.797 1.00 0.00 C ATOM 783 CG2 VAL A 50 -59.573 25.850 11.534 1.00 0.00 C ATOM 0 H VAL A 50 -62.558 28.672 11.665 1.00 0.00 H new ATOM 0 HA VAL A 50 -60.119 28.152 10.012 1.00 0.00 H new ATOM 0 HB VAL A 50 -59.758 27.834 12.365 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -61.120 26.224 13.697 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -62.116 27.559 13.071 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -62.172 25.963 12.285 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -59.189 25.407 12.453 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -60.206 25.127 11.019 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -58.739 26.126 10.889 1.00 0.00 H new ATOM 793 N THR A 51 -60.920 25.900 9.059 1.00 0.00 N ATOM 794 CA THR A 51 -61.512 24.822 8.202 1.00 0.00 C ATOM 795 C THR A 51 -60.960 23.458 8.639 1.00 0.00 C ATOM 796 O THR A 51 -59.783 23.332 8.993 1.00 0.00 O ATOM 797 CB THR A 51 -61.145 25.069 6.732 1.00 0.00 C ATOM 798 OG1 THR A 51 -61.877 24.169 5.910 1.00 0.00 O ATOM 799 CG2 THR A 51 -59.644 24.849 6.519 1.00 0.00 C ATOM 0 H THR A 51 -59.901 25.944 9.044 1.00 0.00 H new ATOM 0 HA THR A 51 -62.596 24.831 8.312 1.00 0.00 H new ATOM 0 HB THR A 51 -61.393 26.097 6.468 1.00 0.00 H new ATOM 0 HG1 THR A 51 -61.437 24.091 5.038 1.00 0.00 H new ATOM 0 HG21 THR A 51 -59.395 25.027 5.473 1.00 0.00 H new ATOM 0 HG22 THR A 51 -59.082 25.539 7.148 1.00 0.00 H new ATOM 0 HG23 THR A 51 -59.385 23.824 6.784 1.00 0.00 H new ATOM 807 N GLU A 52 -61.773 22.437 8.615 1.00 0.00 N ATOM 808 CA GLU A 52 -61.286 21.079 9.018 1.00 0.00 C ATOM 809 C GLU A 52 -61.175 20.199 7.764 1.00 0.00 C ATOM 810 O GLU A 52 -62.073 20.172 6.916 1.00 0.00 O ATOM 811 CB GLU A 52 -62.241 20.416 10.034 1.00 0.00 C ATOM 812 CG GLU A 52 -63.376 21.373 10.454 1.00 0.00 C ATOM 813 CD GLU A 52 -64.566 21.236 9.506 1.00 0.00 C ATOM 814 OE1 GLU A 52 -64.886 20.122 9.122 1.00 0.00 O ATOM 815 OE2 GLU A 52 -65.141 22.257 9.160 1.00 0.00 O ATOM 0 H GLU A 52 -62.753 22.481 8.335 1.00 0.00 H new ATOM 0 HA GLU A 52 -60.312 21.186 9.496 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -62.668 19.513 9.597 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -61.679 20.108 10.916 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -63.688 21.151 11.474 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -63.014 22.401 10.448 1.00 0.00 H new ATOM 822 N GLY A 53 -60.087 19.487 7.623 1.00 0.00 N ATOM 823 CA GLY A 53 -59.901 18.615 6.421 1.00 0.00 C ATOM 824 C GLY A 53 -59.502 17.207 6.855 1.00 0.00 C ATOM 825 O GLY A 53 -58.322 16.913 7.057 1.00 0.00 O ATOM 0 H GLY A 53 -59.316 19.471 8.290 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -60.824 18.578 5.842 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -59.133 19.036 5.771 1.00 0.00 H new ATOM 829 N GLU A 54 -60.461 16.333 7.005 1.00 0.00 N ATOM 830 CA GLU A 54 -60.153 14.933 7.429 1.00 0.00 C ATOM 831 C GLU A 54 -59.391 14.201 6.313 1.00 0.00 C ATOM 832 O GLU A 54 -59.974 13.474 5.500 1.00 0.00 O ATOM 833 CB GLU A 54 -61.462 14.195 7.732 1.00 0.00 C ATOM 834 CG GLU A 54 -62.190 14.883 8.894 1.00 0.00 C ATOM 835 CD GLU A 54 -62.653 13.840 9.909 1.00 0.00 C ATOM 836 OE1 GLU A 54 -63.606 13.140 9.616 1.00 0.00 O ATOM 837 OE2 GLU A 54 -62.047 13.766 10.963 1.00 0.00 O ATOM 0 H GLU A 54 -61.450 16.528 6.852 1.00 0.00 H new ATOM 0 HA GLU A 54 -59.531 14.956 8.324 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -62.098 14.186 6.847 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -61.254 13.156 7.986 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -61.527 15.602 9.375 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -63.047 15.442 8.518 1.00 0.00 H new ATOM 844 N GLY A 55 -58.098 14.385 6.249 1.00 0.00 N ATOM 845 CA GLY A 55 -57.286 13.700 5.193 1.00 0.00 C ATOM 846 C GLY A 55 -56.897 12.297 5.674 1.00 0.00 C ATOM 847 O GLY A 55 -56.591 12.089 6.846 1.00 0.00 O ATOM 0 H GLY A 55 -57.566 14.981 6.883 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -57.857 13.633 4.267 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -56.391 14.282 4.974 1.00 0.00 H new ATOM 943 N LYS A 62 -53.335 17.983 4.051 1.00 0.00 N ATOM 944 CA LYS A 62 -53.246 19.459 3.820 1.00 0.00 C ATOM 945 C LYS A 62 -54.080 19.824 2.577 1.00 0.00 C ATOM 946 O LYS A 62 -54.813 20.811 2.566 1.00 0.00 O ATOM 947 CB LYS A 62 -51.774 19.841 3.602 1.00 0.00 C ATOM 948 CG LYS A 62 -51.171 20.372 4.910 1.00 0.00 C ATOM 949 CD LYS A 62 -51.330 19.327 6.025 1.00 0.00 C ATOM 950 CE LYS A 62 -50.148 18.357 6.005 1.00 0.00 C ATOM 951 NZ LYS A 62 -50.518 17.123 6.762 1.00 0.00 N ATOM 0 HA LYS A 62 -53.634 20.002 4.682 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -51.211 18.973 3.258 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -51.698 20.599 2.823 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -50.116 20.604 4.766 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -51.665 21.300 5.197 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -51.388 19.823 6.994 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -52.263 18.779 5.891 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -49.886 18.104 4.978 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -49.270 18.824 6.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -49.719 16.458 6.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -50.748 17.374 7.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -51.345 16.677 6.316 1.00 0.00 H new ATOM 965 N LYS A 63 -53.991 19.024 1.539 1.00 0.00 N ATOM 966 CA LYS A 63 -54.782 19.290 0.294 1.00 0.00 C ATOM 967 C LYS A 63 -56.281 19.325 0.630 1.00 0.00 C ATOM 968 O LYS A 63 -56.965 20.299 0.345 1.00 0.00 O ATOM 969 CB LYS A 63 -54.508 18.177 -0.728 1.00 0.00 C ATOM 970 CG LYS A 63 -54.366 18.784 -2.128 1.00 0.00 C ATOM 971 CD LYS A 63 -54.736 17.734 -3.181 1.00 0.00 C ATOM 972 CE LYS A 63 -56.262 17.586 -3.250 1.00 0.00 C ATOM 973 NZ LYS A 63 -56.757 18.097 -4.567 1.00 0.00 N ATOM 0 H LYS A 63 -53.400 18.193 1.501 1.00 0.00 H new ATOM 0 HA LYS A 63 -54.487 20.252 -0.126 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -53.598 17.640 -0.460 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -55.321 17.451 -0.717 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -55.013 19.656 -2.225 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -53.343 19.127 -2.285 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -54.345 18.028 -4.155 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -54.279 16.777 -2.930 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -56.542 16.540 -3.126 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -56.728 18.140 -2.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -57.794 18.171 -4.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -56.347 19.035 -4.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -56.474 17.441 -5.323 1.00 0.00 H new ATOM 987 N ARG A 64 -56.794 18.283 1.237 1.00 0.00 N ATOM 988 CA ARG A 64 -58.247 18.253 1.599 1.00 0.00 C ATOM 989 C ARG A 64 -58.589 19.437 2.518 1.00 0.00 C ATOM 990 O ARG A 64 -59.591 20.125 2.320 1.00 0.00 O ATOM 991 CB ARG A 64 -58.563 16.935 2.317 1.00 0.00 C ATOM 992 CG ARG A 64 -60.048 16.893 2.686 1.00 0.00 C ATOM 993 CD ARG A 64 -60.799 16.024 1.677 1.00 0.00 C ATOM 994 NE ARG A 64 -61.970 15.388 2.358 1.00 0.00 N ATOM 995 CZ ARG A 64 -62.083 14.100 2.403 1.00 0.00 C ATOM 996 NH1 ARG A 64 -62.627 13.471 1.416 1.00 0.00 N ATOM 997 NH2 ARG A 64 -61.651 13.448 3.430 1.00 0.00 N ATOM 0 H ARG A 64 -56.268 17.449 1.498 1.00 0.00 H new ATOM 0 HA ARG A 64 -58.844 18.329 0.690 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -58.314 16.091 1.674 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -57.952 16.843 3.215 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -60.173 16.492 3.692 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -60.461 17.902 2.692 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -61.136 16.630 0.836 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -60.137 15.258 1.273 1.00 0.00 H new ATOM 0 HE ARG A 64 -62.684 15.974 2.790 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -62.965 13.989 0.605 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -62.718 12.456 1.447 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -61.220 13.948 4.207 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -61.741 12.433 3.464 1.00 0.00 H new ATOM 1011 N ALA A 65 -57.780 19.688 3.518 1.00 0.00 N ATOM 1012 CA ALA A 65 -58.062 20.829 4.444 1.00 0.00 C ATOM 1013 C ALA A 65 -58.158 22.141 3.635 1.00 0.00 C ATOM 1014 O ALA A 65 -59.063 22.958 3.838 1.00 0.00 O ATOM 1015 CB ALA A 65 -56.934 20.933 5.476 1.00 0.00 C ATOM 0 H ALA A 65 -56.938 19.153 3.733 1.00 0.00 H new ATOM 0 HA ALA A 65 -59.008 20.659 4.959 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -57.136 21.763 6.153 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -56.876 20.006 6.046 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -55.987 21.104 4.964 1.00 0.00 H new ATOM 1021 N ALA A 66 -57.242 22.346 2.718 1.00 0.00 N ATOM 1022 CA ALA A 66 -57.258 23.584 1.879 1.00 0.00 C ATOM 1023 C ALA A 66 -58.414 23.525 0.869 1.00 0.00 C ATOM 1024 O ALA A 66 -59.109 24.515 0.649 1.00 0.00 O ATOM 1025 CB ALA A 66 -55.928 23.686 1.128 1.00 0.00 C ATOM 0 H ALA A 66 -56.478 21.702 2.514 1.00 0.00 H new ATOM 0 HA ALA A 66 -57.396 24.455 2.519 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -55.926 24.585 0.512 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -55.108 23.736 1.845 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -55.801 22.810 0.492 1.00 0.00 H new ATOM 1031 N GLU A 67 -58.635 22.389 0.254 1.00 0.00 N ATOM 1032 CA GLU A 67 -59.749 22.265 -0.738 1.00 0.00 C ATOM 1033 C GLU A 67 -61.051 22.761 -0.108 1.00 0.00 C ATOM 1034 O GLU A 67 -61.724 23.642 -0.638 1.00 0.00 O ATOM 1035 CB GLU A 67 -59.910 20.796 -1.148 1.00 0.00 C ATOM 1036 CG GLU A 67 -58.854 20.436 -2.203 1.00 0.00 C ATOM 1037 CD GLU A 67 -58.966 18.960 -2.590 1.00 0.00 C ATOM 1038 OE1 GLU A 67 -58.877 18.120 -1.711 1.00 0.00 O ATOM 1039 OE2 GLU A 67 -59.092 18.691 -3.773 1.00 0.00 O ATOM 0 H GLU A 67 -58.090 21.539 0.397 1.00 0.00 H new ATOM 0 HA GLU A 67 -59.518 22.865 -1.618 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -59.802 20.151 -0.276 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -60.910 20.627 -1.548 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -58.986 21.061 -3.086 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -57.857 20.641 -1.813 1.00 0.00 H new ATOM 1046 N LYS A 68 -61.411 22.216 1.020 1.00 0.00 N ATOM 1047 CA LYS A 68 -62.665 22.649 1.702 1.00 0.00 C ATOM 1048 C LYS A 68 -62.612 24.155 2.006 1.00 0.00 C ATOM 1049 O LYS A 68 -63.575 24.881 1.765 1.00 0.00 O ATOM 1050 CB LYS A 68 -62.829 21.863 3.002 1.00 0.00 C ATOM 1051 CG LYS A 68 -64.257 22.035 3.519 1.00 0.00 C ATOM 1052 CD LYS A 68 -64.219 22.244 5.031 1.00 0.00 C ATOM 1053 CE LYS A 68 -65.616 22.037 5.612 1.00 0.00 C ATOM 1054 NZ LYS A 68 -65.512 21.255 6.874 1.00 0.00 N ATOM 0 H LYS A 68 -60.888 21.485 1.503 1.00 0.00 H new ATOM 0 HA LYS A 68 -63.515 22.455 1.047 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -62.616 20.808 2.832 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -62.115 22.216 3.746 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -64.733 22.887 3.033 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -64.853 21.156 3.276 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -63.517 21.546 5.487 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -63.864 23.249 5.261 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -66.089 23.000 5.805 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -66.246 21.511 4.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -66.216 20.490 6.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -64.559 20.847 6.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -65.688 21.881 7.686 1.00 0.00 H new ATOM 1068 N MET A 69 -61.509 24.644 2.520 1.00 0.00 N ATOM 1069 CA MET A 69 -61.414 26.109 2.824 1.00 0.00 C ATOM 1070 C MET A 69 -61.592 26.918 1.529 1.00 0.00 C ATOM 1071 O MET A 69 -62.428 27.820 1.453 1.00 0.00 O ATOM 1072 CB MET A 69 -60.048 26.420 3.446 1.00 0.00 C ATOM 1073 CG MET A 69 -60.081 27.820 4.070 1.00 0.00 C ATOM 1074 SD MET A 69 -58.886 27.911 5.425 1.00 0.00 S ATOM 1075 CE MET A 69 -59.997 28.635 6.659 1.00 0.00 C ATOM 0 H MET A 69 -60.676 24.098 2.741 1.00 0.00 H new ATOM 0 HA MET A 69 -62.199 26.382 3.529 1.00 0.00 H new ATOM 0 HB2 MET A 69 -59.804 25.677 4.205 1.00 0.00 H new ATOM 0 HB3 MET A 69 -59.269 26.367 2.686 1.00 0.00 H new ATOM 0 HG2 MET A 69 -59.847 28.571 3.315 1.00 0.00 H new ATOM 0 HG3 MET A 69 -61.082 28.040 4.440 1.00 0.00 H new ATOM 0 HE1 MET A 69 -59.414 28.993 7.508 1.00 0.00 H new ATOM 0 HE2 MET A 69 -60.540 29.469 6.215 1.00 0.00 H new ATOM 0 HE3 MET A 69 -60.706 27.880 6.998 1.00 0.00 H new ATOM 1085 N LEU A 70 -60.829 26.606 0.512 1.00 0.00 N ATOM 1086 CA LEU A 70 -60.950 27.342 -0.784 1.00 0.00 C ATOM 1087 C LEU A 70 -62.373 27.182 -1.332 1.00 0.00 C ATOM 1088 O LEU A 70 -62.995 28.145 -1.772 1.00 0.00 O ATOM 1089 CB LEU A 70 -59.940 26.775 -1.790 1.00 0.00 C ATOM 1090 CG LEU A 70 -58.513 27.051 -1.306 1.00 0.00 C ATOM 1091 CD1 LEU A 70 -57.514 26.478 -2.308 1.00 0.00 C ATOM 1092 CD2 LEU A 70 -58.287 28.559 -1.185 1.00 0.00 C ATOM 0 H LEU A 70 -60.124 25.869 0.524 1.00 0.00 H new ATOM 0 HA LEU A 70 -60.743 28.400 -0.624 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -60.093 25.702 -1.907 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -60.095 27.228 -2.769 1.00 0.00 H new ATOM 0 HG LEU A 70 -58.372 26.582 -0.332 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -56.499 26.675 -1.963 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -57.665 25.402 -2.397 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -57.664 26.947 -3.280 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -57.270 28.748 -0.840 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -58.433 29.028 -2.158 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -58.996 28.977 -0.470 1.00 0.00 H new ATOM 1104 N VAL A 71 -62.906 25.988 -1.297 1.00 0.00 N ATOM 1105 CA VAL A 71 -64.299 25.764 -1.802 1.00 0.00 C ATOM 1106 C VAL A 71 -65.271 26.721 -1.093 1.00 0.00 C ATOM 1107 O VAL A 71 -66.194 27.255 -1.708 1.00 0.00 O ATOM 1108 CB VAL A 71 -64.712 24.310 -1.528 1.00 0.00 C ATOM 1109 CG1 VAL A 71 -66.224 24.151 -1.697 1.00 0.00 C ATOM 1110 CG2 VAL A 71 -64.005 23.386 -2.517 1.00 0.00 C ATOM 0 H VAL A 71 -62.438 25.155 -0.940 1.00 0.00 H new ATOM 0 HA VAL A 71 -64.330 25.956 -2.875 1.00 0.00 H new ATOM 0 HB VAL A 71 -64.432 24.051 -0.507 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -66.505 23.116 -1.500 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -66.739 24.807 -0.995 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -66.506 24.416 -2.716 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -64.297 22.354 -2.323 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -64.286 23.658 -3.534 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -62.926 23.485 -2.400 1.00 0.00 H new ATOM 1120 N GLU A 72 -65.083 26.943 0.183 1.00 0.00 N ATOM 1121 CA GLU A 72 -65.993 27.861 0.935 1.00 0.00 C ATOM 1122 C GLU A 72 -65.618 29.332 0.664 1.00 0.00 C ATOM 1123 O GLU A 72 -66.458 30.129 0.243 1.00 0.00 O ATOM 1124 CB GLU A 72 -65.884 27.555 2.437 1.00 0.00 C ATOM 1125 CG GLU A 72 -67.284 27.542 3.079 1.00 0.00 C ATOM 1126 CD GLU A 72 -68.227 26.636 2.283 1.00 0.00 C ATOM 1127 OE1 GLU A 72 -68.021 25.436 2.289 1.00 0.00 O ATOM 1128 OE2 GLU A 72 -69.140 27.164 1.665 1.00 0.00 O ATOM 0 H GLU A 72 -64.336 26.527 0.739 1.00 0.00 H new ATOM 0 HA GLU A 72 -67.019 27.704 0.603 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -65.399 26.590 2.585 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -65.259 28.304 2.924 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -67.216 27.191 4.109 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -67.685 28.555 3.113 1.00 0.00 H new ATOM 1135 N LEU A 73 -64.381 29.715 0.895 1.00 0.00 N ATOM 1136 CA LEU A 73 -63.979 31.146 0.653 1.00 0.00 C ATOM 1137 C LEU A 73 -64.133 31.532 -0.831 1.00 0.00 C ATOM 1138 O LEU A 73 -64.315 32.701 -1.155 1.00 0.00 O ATOM 1139 CB LEU A 73 -62.534 31.380 1.110 1.00 0.00 C ATOM 1140 CG LEU A 73 -61.579 30.461 0.358 1.00 0.00 C ATOM 1141 CD1 LEU A 73 -60.941 31.221 -0.799 1.00 0.00 C ATOM 1142 CD2 LEU A 73 -60.494 30.005 1.321 1.00 0.00 C ATOM 0 H LEU A 73 -63.637 29.107 1.237 1.00 0.00 H new ATOM 0 HA LEU A 73 -64.646 31.780 1.237 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -62.257 32.420 0.939 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -62.452 31.200 2.182 1.00 0.00 H new ATOM 0 HG LEU A 73 -62.121 29.601 -0.036 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -60.258 30.562 -1.335 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -61.719 31.569 -1.479 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -60.389 32.077 -0.411 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -59.800 29.345 0.801 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -59.955 30.874 1.700 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -60.949 29.469 2.154 1.00 0.00 H new ATOM 1154 N GLN A 74 -64.081 30.587 -1.738 1.00 0.00 N ATOM 1155 CA GLN A 74 -64.241 30.932 -3.191 1.00 0.00 C ATOM 1156 C GLN A 74 -65.725 31.208 -3.521 1.00 0.00 C ATOM 1157 O GLN A 74 -66.092 31.379 -4.683 1.00 0.00 O ATOM 1158 CB GLN A 74 -63.745 29.763 -4.049 1.00 0.00 C ATOM 1159 CG GLN A 74 -62.210 29.717 -4.028 1.00 0.00 C ATOM 1160 CD GLN A 74 -61.639 30.799 -4.946 1.00 0.00 C ATOM 1161 OE1 GLN A 74 -60.984 31.723 -4.486 1.00 0.00 O ATOM 1162 NE2 GLN A 74 -61.850 30.737 -6.225 1.00 0.00 N ATOM 0 H GLN A 74 -63.936 29.597 -1.540 1.00 0.00 H new ATOM 0 HA GLN A 74 -63.657 31.828 -3.404 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -64.151 28.825 -3.671 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -64.101 29.875 -5.073 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -61.848 29.864 -3.010 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -61.863 28.735 -4.351 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -62.396 29.969 -6.615 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -61.470 31.457 -6.840 1.00 0.00 H new ATOM 1171 N LYS A 75 -66.581 31.247 -2.531 1.00 0.00 N ATOM 1172 CA LYS A 75 -68.032 31.507 -2.785 1.00 0.00 C ATOM 1173 C LYS A 75 -68.404 32.937 -2.347 1.00 0.00 C ATOM 1174 O LYS A 75 -69.448 33.461 -2.732 1.00 0.00 O ATOM 1175 CB LYS A 75 -68.855 30.496 -1.979 1.00 0.00 C ATOM 1176 CG LYS A 75 -69.490 29.469 -2.923 1.00 0.00 C ATOM 1177 CD LYS A 75 -70.045 28.295 -2.106 1.00 0.00 C ATOM 1178 CE LYS A 75 -68.889 27.433 -1.596 1.00 0.00 C ATOM 1179 NZ LYS A 75 -69.414 26.405 -0.653 1.00 0.00 N ATOM 0 H LYS A 75 -66.335 31.109 -1.551 1.00 0.00 H new ATOM 0 HA LYS A 75 -68.240 31.404 -3.850 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -68.217 29.991 -1.254 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -69.631 31.013 -1.415 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -70.290 29.935 -3.499 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -68.750 29.110 -3.638 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -70.632 28.668 -1.266 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -70.715 27.695 -2.722 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -68.385 26.950 -2.433 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -68.149 28.057 -1.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -68.736 25.620 -0.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -69.548 26.832 0.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -70.325 26.045 -1.003 1.00 0.00 H new ATOM 1193 N LEU A 76 -67.588 33.562 -1.536 1.00 0.00 N ATOM 1194 CA LEU A 76 -67.891 34.934 -1.055 1.00 0.00 C ATOM 1195 C LEU A 76 -66.753 35.888 -1.449 1.00 0.00 C ATOM 1196 O LEU A 76 -67.011 36.842 -2.165 1.00 0.00 O ATOM 1197 CB LEU A 76 -68.009 34.892 0.466 1.00 0.00 C ATOM 1198 CG LEU A 76 -68.901 33.724 0.889 1.00 0.00 C ATOM 1199 CD1 LEU A 76 -68.311 33.058 2.128 1.00 0.00 C ATOM 1200 CD2 LEU A 76 -70.298 34.245 1.206 1.00 0.00 C ATOM 1201 OXT LEU A 76 -65.633 35.660 -1.021 1.00 0.00 O ATOM 0 H LEU A 76 -66.714 33.170 -1.185 1.00 0.00 H new ATOM 0 HA LEU A 76 -68.820 35.288 -1.501 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -67.021 34.786 0.913 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -68.426 35.830 0.833 1.00 0.00 H new ATOM 0 HG LEU A 76 -68.959 32.996 0.080 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -68.946 32.225 2.431 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -67.311 32.688 1.901 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -68.254 33.784 2.939 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -70.936 33.415 1.508 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -70.240 34.971 2.017 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -70.718 34.722 0.321 1.00 0.00 H new