USER MOD reduce.3.24.130724 H: found=0, std=0, add=502, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 505 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 41 THR OG1 : rot 136:sc= -0.69! USER MOD Set 1.2: A 50 LYS NZ :NH3+ 149:sc= 1.27 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= -10.4! C(o=-10!,f=-20!) USER MOD Single : A 26 SER OG : rot 4:sc= 0.181 USER MOD Single : A 31 MET CE :methyl 176:sc= -4.56! (180deg=-4.62!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 130:sc= -0.323 USER MOD Single : A 43 LYS NZ :NH3+ 166:sc= -0.052 (180deg=-0.243) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0.843 K(o=0.84,f=-0.72) USER MOD Single : A 59 THR OG1 : rot 162:sc= 0.318 USER MOD Single : A 66 LYS NZ :NH3+ -167:sc= -0.045 (180deg=-0.286) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 94:sc= 0.00482 USER MOD Single : A 77 ASN : amide:sc= -3.64! C(o=-3.6!,f=-1.9!) USER MOD Single : A 78 LYS NZ :NH3+ -119:sc= -2.12! (180deg=-5.14!) USER MOD ----------------------------------------------------------------- ATOM 102 N VAL A 5 -11.125 1.409 -8.410 1.00 0.00 N ATOM 103 CA VAL A 5 -9.678 1.241 -8.474 1.00 0.00 C ATOM 104 C VAL A 5 -9.121 0.649 -7.189 1.00 0.00 C ATOM 105 O VAL A 5 -7.942 0.370 -7.115 1.00 0.00 O ATOM 106 CB VAL A 5 -8.938 2.563 -8.772 1.00 0.00 C ATOM 107 CG1 VAL A 5 -8.731 3.368 -7.499 1.00 0.00 C ATOM 108 CG2 VAL A 5 -7.604 2.333 -9.460 1.00 0.00 C ATOM 0 HA VAL A 5 -9.504 0.551 -9.299 1.00 0.00 H new ATOM 0 HB VAL A 5 -9.572 3.129 -9.455 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -8.208 4.294 -7.735 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -9.699 3.601 -7.054 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.138 2.786 -6.793 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.122 3.292 -9.649 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -6.965 1.725 -8.820 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.767 1.817 -10.406 1.00 0.00 H new ATOM 118 N LYS A 6 -9.945 0.475 -6.159 1.00 0.00 N ATOM 119 CA LYS A 6 -9.433 -0.067 -4.905 1.00 0.00 C ATOM 120 C LYS A 6 -8.540 -1.262 -5.209 1.00 0.00 C ATOM 121 O LYS A 6 -7.408 -1.344 -4.733 1.00 0.00 O ATOM 122 CB LYS A 6 -10.586 -0.483 -3.989 1.00 0.00 C ATOM 123 CG LYS A 6 -10.137 -1.164 -2.708 1.00 0.00 C ATOM 124 CD LYS A 6 -11.324 -1.575 -1.853 1.00 0.00 C ATOM 125 CE LYS A 6 -10.879 -2.260 -0.571 1.00 0.00 C ATOM 126 NZ LYS A 6 -12.037 -2.666 0.273 1.00 0.00 N ATOM 0 H LYS A 6 -10.941 0.694 -6.165 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.854 0.699 -4.390 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -11.172 0.400 -3.734 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.247 -1.156 -4.535 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.540 -2.043 -2.951 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.495 -0.490 -2.142 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.919 -0.695 -1.609 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -11.967 -2.247 -2.421 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -10.283 -3.139 -0.817 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.235 -1.587 -0.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -11.691 -3.129 1.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.592 -1.824 0.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.638 -3.328 -0.258 1.00 0.00 H new ATOM 140 N GLU A 7 -9.037 -2.154 -6.049 1.00 0.00 N ATOM 141 CA GLU A 7 -8.269 -3.315 -6.469 1.00 0.00 C ATOM 142 C GLU A 7 -7.233 -2.928 -7.529 1.00 0.00 C ATOM 143 O GLU A 7 -6.177 -3.549 -7.625 1.00 0.00 O ATOM 144 CB GLU A 7 -9.202 -4.411 -6.996 1.00 0.00 C ATOM 145 CG GLU A 7 -8.484 -5.680 -7.435 1.00 0.00 C ATOM 146 CD GLU A 7 -7.824 -5.551 -8.796 1.00 0.00 C ATOM 147 OE1 GLU A 7 -8.037 -4.515 -9.461 1.00 0.00 O ATOM 148 OE2 GLU A 7 -7.081 -6.475 -9.189 1.00 0.00 O ATOM 0 H GLU A 7 -9.971 -2.097 -6.455 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.735 -3.705 -5.603 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.923 -4.665 -6.219 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.769 -4.016 -7.840 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.727 -5.937 -6.694 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.198 -6.504 -7.461 1.00 0.00 H new ATOM 155 N ASP A 8 -7.554 -1.917 -8.346 1.00 0.00 N ATOM 156 CA ASP A 8 -6.654 -1.474 -9.416 1.00 0.00 C ATOM 157 C ASP A 8 -5.345 -0.882 -8.877 1.00 0.00 C ATOM 158 O ASP A 8 -4.257 -1.316 -9.257 1.00 0.00 O ATOM 159 CB ASP A 8 -7.367 -0.479 -10.320 1.00 0.00 C ATOM 160 CG ASP A 8 -8.326 -1.156 -11.280 1.00 0.00 C ATOM 161 OD1 ASP A 8 -7.867 -1.992 -12.086 1.00 0.00 O ATOM 162 OD2 ASP A 8 -9.535 -0.848 -11.226 1.00 0.00 O ATOM 0 H ASP A 8 -8.427 -1.393 -8.286 1.00 0.00 H new ATOM 0 HA ASP A 8 -6.380 -2.355 -9.997 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -7.915 0.237 -9.707 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.628 0.087 -10.887 1.00 0.00 H new ATOM 167 N ILE A 9 -5.454 0.080 -7.965 1.00 0.00 N ATOM 168 CA ILE A 9 -4.289 0.693 -7.349 1.00 0.00 C ATOM 169 C ILE A 9 -3.582 -0.343 -6.491 1.00 0.00 C ATOM 170 O ILE A 9 -2.367 -0.517 -6.580 1.00 0.00 O ATOM 171 CB ILE A 9 -4.679 1.927 -6.496 1.00 0.00 C ATOM 172 CG1 ILE A 9 -4.955 3.129 -7.399 1.00 0.00 C ATOM 173 CG2 ILE A 9 -3.591 2.265 -5.483 1.00 0.00 C ATOM 174 CD1 ILE A 9 -5.367 4.373 -6.642 1.00 0.00 C ATOM 0 H ILE A 9 -6.345 0.452 -7.637 1.00 0.00 H new ATOM 0 HA ILE A 9 -3.620 1.043 -8.135 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.587 1.682 -5.945 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.060 3.348 -7.982 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.741 2.868 -8.108 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.894 3.135 -4.900 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.439 1.416 -4.816 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.661 2.486 -6.008 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.546 5.185 -7.347 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.279 4.172 -6.080 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.572 4.659 -5.953 1.00 0.00 H new ATOM 186 N ARG A 10 -4.365 -1.064 -5.691 1.00 0.00 N ATOM 187 CA ARG A 10 -3.823 -2.121 -4.850 1.00 0.00 C ATOM 188 C ARG A 10 -3.085 -3.114 -5.731 1.00 0.00 C ATOM 189 O ARG A 10 -2.129 -3.758 -5.301 1.00 0.00 O ATOM 190 CB ARG A 10 -4.949 -2.838 -4.097 1.00 0.00 C ATOM 191 CG ARG A 10 -4.477 -3.625 -2.885 1.00 0.00 C ATOM 192 CD ARG A 10 -5.620 -4.404 -2.251 1.00 0.00 C ATOM 193 NE ARG A 10 -6.241 -5.336 -3.192 1.00 0.00 N ATOM 194 CZ ARG A 10 -5.627 -6.402 -3.701 1.00 0.00 C ATOM 195 NH1 ARG A 10 -4.388 -6.704 -3.331 1.00 0.00 N ATOM 196 NH2 ARG A 10 -6.258 -7.176 -4.572 1.00 0.00 N ATOM 0 H ARG A 10 -5.373 -0.934 -5.610 1.00 0.00 H new ATOM 0 HA ARG A 10 -3.141 -1.687 -4.118 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.684 -2.101 -3.775 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.457 -3.516 -4.783 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.686 -4.313 -3.182 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -4.048 -2.943 -2.151 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.247 -4.956 -1.388 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.372 -3.707 -1.882 1.00 0.00 H new ATOM 0 HE ARG A 10 -7.204 -5.158 -3.476 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.901 -6.118 -2.653 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -3.923 -7.522 -3.725 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -7.214 -6.955 -4.852 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -5.788 -7.993 -4.962 1.00 0.00 H new ATOM 210 N GLY A 11 -3.526 -3.207 -6.984 1.00 0.00 N ATOM 211 CA GLY A 11 -2.882 -4.097 -7.924 1.00 0.00 C ATOM 212 C GLY A 11 -1.481 -3.619 -8.205 1.00 0.00 C ATOM 213 O GLY A 11 -0.531 -4.401 -8.230 1.00 0.00 O ATOM 0 H GLY A 11 -4.316 -2.682 -7.360 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.856 -5.109 -7.521 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.455 -4.138 -8.851 1.00 0.00 H new ATOM 217 N GLN A 12 -1.363 -2.310 -8.381 1.00 0.00 N ATOM 218 CA GLN A 12 -0.081 -1.680 -8.623 1.00 0.00 C ATOM 219 C GLN A 12 0.792 -1.795 -7.379 1.00 0.00 C ATOM 220 O GLN A 12 2.013 -1.900 -7.471 1.00 0.00 O ATOM 221 CB GLN A 12 -0.277 -0.207 -8.983 1.00 0.00 C ATOM 222 CG GLN A 12 -1.176 0.014 -10.187 1.00 0.00 C ATOM 223 CD GLN A 12 -1.314 1.480 -10.550 1.00 0.00 C ATOM 224 OE1 GLN A 12 -0.327 2.151 -10.854 1.00 0.00 O ATOM 225 NE2 GLN A 12 -2.541 1.984 -10.520 1.00 0.00 N ATOM 0 H GLN A 12 -2.150 -1.662 -8.360 1.00 0.00 H new ATOM 0 HA GLN A 12 0.409 -2.184 -9.456 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.700 0.314 -8.124 1.00 0.00 H new ATOM 0 HB3 GLN A 12 0.696 0.242 -9.180 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.774 -0.532 -11.041 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.163 -0.400 -9.980 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -3.330 1.391 -10.262 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.695 2.965 -10.755 1.00 0.00 H new ATOM 234 N ILE A 13 0.142 -1.772 -6.214 1.00 0.00 N ATOM 235 CA ILE A 13 0.837 -1.870 -4.937 1.00 0.00 C ATOM 236 C ILE A 13 1.398 -3.273 -4.732 1.00 0.00 C ATOM 237 O ILE A 13 2.535 -3.438 -4.296 1.00 0.00 O ATOM 238 CB ILE A 13 -0.095 -1.509 -3.760 1.00 0.00 C ATOM 239 CG1 ILE A 13 -0.616 -0.078 -3.914 1.00 0.00 C ATOM 240 CG2 ILE A 13 0.629 -1.671 -2.429 1.00 0.00 C ATOM 241 CD1 ILE A 13 -1.549 0.348 -2.802 1.00 0.00 C ATOM 0 H ILE A 13 -0.871 -1.686 -6.133 1.00 0.00 H new ATOM 0 HA ILE A 13 1.660 -1.155 -4.960 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.944 -2.193 -3.772 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.231 0.607 -3.949 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.136 0.010 -4.868 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.046 -1.411 -1.614 1.00 0.00 H new ATOM 0 HG22 ILE A 13 0.955 -2.705 -2.315 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.497 -1.013 -2.405 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.879 1.372 -2.976 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.415 -0.313 -2.780 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.026 0.293 -1.847 1.00 0.00 H new ATOM 253 N ILE A 14 0.596 -4.282 -5.059 1.00 0.00 N ATOM 254 CA ILE A 14 1.020 -5.669 -4.920 1.00 0.00 C ATOM 255 C ILE A 14 2.282 -5.920 -5.740 1.00 0.00 C ATOM 256 O ILE A 14 3.297 -6.375 -5.210 1.00 0.00 O ATOM 257 CB ILE A 14 -0.102 -6.638 -5.354 1.00 0.00 C ATOM 258 CG1 ILE A 14 -1.182 -6.716 -4.273 1.00 0.00 C ATOM 259 CG2 ILE A 14 0.452 -8.026 -5.653 1.00 0.00 C ATOM 260 CD1 ILE A 14 -0.668 -7.227 -2.946 1.00 0.00 C ATOM 0 H ILE A 14 -0.350 -4.164 -5.422 1.00 0.00 H new ATOM 0 HA ILE A 14 1.239 -5.853 -3.868 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.547 -6.251 -6.271 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.614 -5.726 -4.130 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.985 -7.367 -4.618 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.362 -8.685 -5.956 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.184 -7.960 -6.458 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.930 -8.427 -4.759 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.486 -7.257 -2.226 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.262 -8.230 -3.075 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.115 -6.563 -2.579 1.00 0.00 H new ATOM 272 N GLY A 15 2.225 -5.593 -7.026 1.00 0.00 N ATOM 273 CA GLY A 15 3.385 -5.764 -7.878 1.00 0.00 C ATOM 274 C GLY A 15 4.512 -4.857 -7.434 1.00 0.00 C ATOM 275 O GLY A 15 5.684 -5.231 -7.472 1.00 0.00 O ATOM 0 H GLY A 15 1.400 -5.214 -7.491 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.714 -6.803 -7.849 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.119 -5.543 -8.912 1.00 0.00 H new ATOM 279 N ALA A 16 4.134 -3.662 -6.995 1.00 0.00 N ATOM 280 CA ALA A 16 5.086 -2.672 -6.512 1.00 0.00 C ATOM 281 C ALA A 16 5.855 -3.199 -5.304 1.00 0.00 C ATOM 282 O ALA A 16 6.993 -2.805 -5.055 1.00 0.00 O ATOM 283 CB ALA A 16 4.348 -1.387 -6.151 1.00 0.00 C ATOM 0 H ALA A 16 3.162 -3.354 -6.964 1.00 0.00 H new ATOM 0 HA ALA A 16 5.806 -2.464 -7.303 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.062 -0.647 -5.790 1.00 0.00 H new ATOM 0 HB2 ALA A 16 3.839 -1.000 -7.034 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.615 -1.595 -5.372 1.00 0.00 H new ATOM 289 N LEU A 17 5.214 -4.090 -4.555 1.00 0.00 N ATOM 290 CA LEU A 17 5.809 -4.678 -3.364 1.00 0.00 C ATOM 291 C LEU A 17 6.624 -5.920 -3.708 1.00 0.00 C ATOM 292 O LEU A 17 7.591 -6.252 -3.022 1.00 0.00 O ATOM 293 CB LEU A 17 4.705 -5.038 -2.370 1.00 0.00 C ATOM 294 CG LEU A 17 4.029 -3.843 -1.688 1.00 0.00 C ATOM 295 CD1 LEU A 17 2.710 -4.258 -1.052 1.00 0.00 C ATOM 296 CD2 LEU A 17 4.956 -3.237 -0.641 1.00 0.00 C ATOM 0 H LEU A 17 4.271 -4.423 -4.757 1.00 0.00 H new ATOM 0 HA LEU A 17 6.484 -3.947 -2.919 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.943 -5.618 -2.891 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.127 -5.685 -1.601 1.00 0.00 H new ATOM 0 HG LEU A 17 3.819 -3.090 -2.447 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.249 -3.394 -0.574 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.042 -4.647 -1.820 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.893 -5.031 -0.305 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.463 -2.390 -0.165 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.194 -3.988 0.112 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.875 -2.899 -1.120 1.00 0.00 H new ATOM 308 N ALA A 18 6.215 -6.606 -4.765 1.00 0.00 N ATOM 309 CA ALA A 18 6.896 -7.823 -5.201 1.00 0.00 C ATOM 310 C ALA A 18 8.363 -7.564 -5.536 1.00 0.00 C ATOM 311 O ALA A 18 8.712 -7.336 -6.693 1.00 0.00 O ATOM 312 CB ALA A 18 6.180 -8.421 -6.403 1.00 0.00 C ATOM 0 H ALA A 18 5.414 -6.343 -5.339 1.00 0.00 H new ATOM 0 HA ALA A 18 6.868 -8.532 -4.374 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.696 -9.327 -6.720 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.153 -8.664 -6.131 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.178 -7.700 -7.221 1.00 0.00 H new ATOM 318 N GLY A 19 9.222 -7.604 -4.517 1.00 0.00 N ATOM 319 CA GLY A 19 10.641 -7.375 -4.741 1.00 0.00 C ATOM 320 C GLY A 19 11.427 -7.193 -3.455 1.00 0.00 C ATOM 321 O GLY A 19 12.581 -7.614 -3.360 1.00 0.00 O ATOM 0 H GLY A 19 8.963 -7.789 -3.548 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.055 -8.216 -5.296 1.00 0.00 H new ATOM 0 HA3 GLY A 19 10.766 -6.489 -5.364 1.00 0.00 H new ATOM 325 N ALA A 20 10.810 -6.549 -2.472 1.00 0.00 N ATOM 326 CA ALA A 20 11.457 -6.285 -1.187 1.00 0.00 C ATOM 327 C ALA A 20 12.027 -7.547 -0.564 1.00 0.00 C ATOM 328 O ALA A 20 11.990 -8.623 -1.161 1.00 0.00 O ATOM 329 CB ALA A 20 10.460 -5.653 -0.229 1.00 0.00 C ATOM 0 H ALA A 20 9.855 -6.196 -2.539 1.00 0.00 H new ATOM 0 HA ALA A 20 12.286 -5.602 -1.373 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.947 -5.458 0.727 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.096 -4.715 -0.649 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.621 -6.332 -0.077 1.00 0.00 H new ATOM 335 N ASP A 21 12.521 -7.399 0.661 1.00 0.00 N ATOM 336 CA ASP A 21 13.065 -8.515 1.420 1.00 0.00 C ATOM 337 C ASP A 21 11.953 -9.549 1.598 1.00 0.00 C ATOM 338 O ASP A 21 11.400 -10.021 0.604 1.00 0.00 O ATOM 339 CB ASP A 21 13.590 -7.996 2.760 1.00 0.00 C ATOM 340 CG ASP A 21 14.914 -7.268 2.620 1.00 0.00 C ATOM 341 OD1 ASP A 21 15.420 -7.169 1.482 1.00 0.00 O ATOM 342 OD2 ASP A 21 15.444 -6.797 3.648 1.00 0.00 O ATOM 0 H ASP A 21 12.555 -6.506 1.152 1.00 0.00 H new ATOM 0 HA ASP A 21 13.899 -8.988 0.902 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.853 -7.323 3.200 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.709 -8.832 3.449 1.00 0.00 H new ATOM 347 N PHE A 22 11.559 -9.871 2.832 1.00 0.00 N ATOM 348 CA PHE A 22 10.446 -10.793 3.005 1.00 0.00 C ATOM 349 C PHE A 22 9.260 -10.162 2.295 1.00 0.00 C ATOM 350 O PHE A 22 9.365 -9.026 1.836 1.00 0.00 O ATOM 351 CB PHE A 22 10.138 -11.063 4.499 1.00 0.00 C ATOM 352 CG PHE A 22 9.309 -10.006 5.205 1.00 0.00 C ATOM 353 CD1 PHE A 22 8.043 -9.643 4.746 1.00 0.00 C ATOM 354 CD2 PHE A 22 9.800 -9.382 6.337 1.00 0.00 C ATOM 355 CE1 PHE A 22 7.299 -8.679 5.393 1.00 0.00 C ATOM 356 CE2 PHE A 22 9.056 -8.419 6.990 1.00 0.00 C ATOM 357 CZ PHE A 22 7.811 -8.068 6.512 1.00 0.00 C ATOM 0 H PHE A 22 11.978 -9.520 3.693 1.00 0.00 H new ATOM 0 HA PHE A 22 10.686 -11.769 2.583 1.00 0.00 H new ATOM 0 HB2 PHE A 22 9.617 -12.017 4.576 1.00 0.00 H new ATOM 0 HB3 PHE A 22 11.083 -11.172 5.031 1.00 0.00 H new ATOM 0 HD1 PHE A 22 7.638 -10.125 3.869 1.00 0.00 H new ATOM 0 HD2 PHE A 22 10.776 -9.651 6.715 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.322 -8.406 5.023 1.00 0.00 H new ATOM 0 HE2 PHE A 22 9.449 -7.941 7.875 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.235 -7.309 7.020 1.00 0.00 H new ATOM 367 N PRO A 23 8.121 -10.838 2.186 1.00 0.00 N ATOM 368 CA PRO A 23 6.963 -10.252 1.523 1.00 0.00 C ATOM 369 C PRO A 23 6.444 -9.004 2.254 1.00 0.00 C ATOM 370 O PRO A 23 5.333 -9.023 2.778 1.00 0.00 O ATOM 371 CB PRO A 23 5.930 -11.378 1.553 1.00 0.00 C ATOM 372 CG PRO A 23 6.338 -12.223 2.705 1.00 0.00 C ATOM 373 CD PRO A 23 7.839 -12.195 2.695 1.00 0.00 C ATOM 0 HA PRO A 23 7.195 -9.906 0.516 1.00 0.00 H new ATOM 0 HB2 PRO A 23 4.921 -10.988 1.684 1.00 0.00 H new ATOM 0 HB3 PRO A 23 5.934 -11.946 0.623 1.00 0.00 H new ATOM 0 HG2 PRO A 23 5.942 -11.831 3.642 1.00 0.00 H new ATOM 0 HG3 PRO A 23 5.962 -13.241 2.601 1.00 0.00 H new ATOM 0 HD2 PRO A 23 8.256 -12.352 3.690 1.00 0.00 H new ATOM 0 HD3 PRO A 23 8.257 -12.967 2.049 1.00 0.00 H new ATOM 381 N ILE A 24 7.260 -7.923 2.259 1.00 0.00 N ATOM 382 CA ILE A 24 6.907 -6.626 2.882 1.00 0.00 C ATOM 383 C ILE A 24 7.690 -6.286 4.160 1.00 0.00 C ATOM 384 O ILE A 24 7.098 -6.061 5.215 1.00 0.00 O ATOM 385 CB ILE A 24 5.396 -6.513 3.167 1.00 0.00 C ATOM 386 CG1 ILE A 24 4.611 -6.647 1.865 1.00 0.00 C ATOM 387 CG2 ILE A 24 5.071 -5.197 3.854 1.00 0.00 C ATOM 388 CD1 ILE A 24 5.176 -5.806 0.749 1.00 0.00 C ATOM 0 H ILE A 24 8.185 -7.927 1.829 1.00 0.00 H new ATOM 0 HA ILE A 24 7.200 -5.893 2.130 1.00 0.00 H new ATOM 0 HB ILE A 24 5.107 -7.321 3.839 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.604 -7.693 1.557 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.574 -6.359 2.041 1.00 0.00 H new ATOM 0 HG21 ILE A 24 3.999 -5.141 4.044 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.611 -5.137 4.799 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.369 -4.368 3.212 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.575 -5.944 -0.150 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.158 -4.756 1.040 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.204 -6.110 0.549 1.00 0.00 H new ATOM 400 N ASN A 25 9.011 -6.203 4.052 1.00 0.00 N ATOM 401 CA ASN A 25 9.864 -5.847 5.197 1.00 0.00 C ATOM 402 C ASN A 25 9.579 -4.441 5.702 1.00 0.00 C ATOM 403 O ASN A 25 10.428 -3.559 5.584 1.00 0.00 O ATOM 404 CB ASN A 25 11.330 -5.925 4.802 1.00 0.00 C ATOM 405 CG ASN A 25 11.940 -7.271 5.115 1.00 0.00 C ATOM 406 OD1 ASN A 25 11.488 -8.300 4.629 1.00 0.00 O ATOM 407 ND2 ASN A 25 12.981 -7.261 5.940 1.00 0.00 N ATOM 0 H ASN A 25 9.522 -6.376 3.186 1.00 0.00 H new ATOM 0 HA ASN A 25 9.642 -6.558 5.992 1.00 0.00 H new ATOM 0 HB2 ASN A 25 11.427 -5.724 3.735 1.00 0.00 H new ATOM 0 HB3 ASN A 25 11.886 -5.147 5.325 1.00 0.00 H new ATOM 0 HD21 ASN A 25 13.439 -8.136 6.193 1.00 0.00 H new ATOM 0 HD22 ASN A 25 13.322 -6.378 6.320 1.00 0.00 H new ATOM 414 N SER A 26 8.395 -4.217 6.255 1.00 0.00 N ATOM 415 CA SER A 26 8.042 -2.895 6.745 1.00 0.00 C ATOM 416 C SER A 26 8.186 -1.887 5.613 1.00 0.00 C ATOM 417 O SER A 26 8.948 -2.102 4.671 1.00 0.00 O ATOM 418 CB SER A 26 8.923 -2.489 7.930 1.00 0.00 C ATOM 419 OG SER A 26 10.266 -2.279 7.529 1.00 0.00 O ATOM 0 H SER A 26 7.671 -4.926 6.374 1.00 0.00 H new ATOM 0 HA SER A 26 7.009 -2.915 7.092 1.00 0.00 H new ATOM 0 HB2 SER A 26 8.530 -1.578 8.382 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.887 -3.265 8.694 1.00 0.00 H new ATOM 0 HG SER A 26 10.336 -2.375 6.556 1.00 0.00 H new ATOM 425 N PRO A 27 7.445 -0.786 5.659 1.00 0.00 N ATOM 426 CA PRO A 27 7.504 0.213 4.607 1.00 0.00 C ATOM 427 C PRO A 27 8.921 0.587 4.218 1.00 0.00 C ATOM 428 O PRO A 27 9.186 0.879 3.061 1.00 0.00 O ATOM 429 CB PRO A 27 6.753 1.404 5.196 1.00 0.00 C ATOM 430 CG PRO A 27 5.810 0.805 6.182 1.00 0.00 C ATOM 431 CD PRO A 27 6.479 -0.437 6.711 1.00 0.00 C ATOM 0 HA PRO A 27 7.067 -0.155 3.679 1.00 0.00 H new ATOM 0 HB2 PRO A 27 7.436 2.105 5.676 1.00 0.00 H new ATOM 0 HB3 PRO A 27 6.220 1.957 4.423 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.596 1.505 6.990 1.00 0.00 H new ATOM 0 HG3 PRO A 27 4.858 0.562 5.711 1.00 0.00 H new ATOM 0 HD2 PRO A 27 6.974 -0.250 7.664 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.760 -1.239 6.877 1.00 0.00 H new ATOM 439 N GLU A 28 9.835 0.565 5.168 1.00 0.00 N ATOM 440 CA GLU A 28 11.218 0.900 4.868 1.00 0.00 C ATOM 441 C GLU A 28 11.732 0.050 3.703 1.00 0.00 C ATOM 442 O GLU A 28 12.175 0.570 2.676 1.00 0.00 O ATOM 443 CB GLU A 28 12.089 0.668 6.104 1.00 0.00 C ATOM 444 CG GLU A 28 11.571 1.368 7.352 1.00 0.00 C ATOM 445 CD GLU A 28 11.533 2.877 7.207 1.00 0.00 C ATOM 446 OE1 GLU A 28 11.930 3.380 6.135 1.00 0.00 O ATOM 447 OE2 GLU A 28 11.101 3.557 8.162 1.00 0.00 O ATOM 0 H GLU A 28 9.652 0.323 6.142 1.00 0.00 H new ATOM 0 HA GLU A 28 11.269 1.951 4.584 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.153 -0.403 6.298 1.00 0.00 H new ATOM 0 HB3 GLU A 28 13.101 1.015 5.896 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.569 1.004 7.577 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.204 1.105 8.200 1.00 0.00 H new ATOM 454 N GLU A 29 11.665 -1.262 3.875 1.00 0.00 N ATOM 455 CA GLU A 29 12.123 -2.196 2.862 1.00 0.00 C ATOM 456 C GLU A 29 11.154 -2.330 1.702 1.00 0.00 C ATOM 457 O GLU A 29 11.527 -2.127 0.550 1.00 0.00 O ATOM 458 CB GLU A 29 12.265 -3.548 3.479 1.00 0.00 C ATOM 459 CG GLU A 29 12.987 -4.532 2.574 1.00 0.00 C ATOM 460 CD GLU A 29 14.383 -4.069 2.208 1.00 0.00 C ATOM 461 OE1 GLU A 29 15.207 -3.879 3.129 1.00 0.00 O ATOM 462 OE2 GLU A 29 14.655 -3.896 1.001 1.00 0.00 O ATOM 0 H GLU A 29 11.294 -1.705 4.715 1.00 0.00 H new ATOM 0 HA GLU A 29 13.068 -1.810 2.481 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.809 -3.459 4.419 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.276 -3.939 3.719 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.048 -5.500 3.071 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.406 -4.677 1.663 1.00 0.00 H new ATOM 469 N LEU A 30 9.912 -2.709 2.003 1.00 0.00 N ATOM 470 CA LEU A 30 8.914 -2.899 0.960 1.00 0.00 C ATOM 471 C LEU A 30 8.891 -1.675 0.049 1.00 0.00 C ATOM 472 O LEU A 30 8.877 -1.805 -1.177 1.00 0.00 O ATOM 473 CB LEU A 30 7.534 -3.160 1.577 1.00 0.00 C ATOM 474 CG LEU A 30 6.865 -1.941 2.204 1.00 0.00 C ATOM 475 CD1 LEU A 30 6.075 -1.163 1.165 1.00 0.00 C ATOM 476 CD2 LEU A 30 5.961 -2.346 3.355 1.00 0.00 C ATOM 0 H LEU A 30 9.579 -2.888 2.950 1.00 0.00 H new ATOM 0 HA LEU A 30 9.177 -3.772 0.363 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.877 -3.558 0.804 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.634 -3.933 2.339 1.00 0.00 H new ATOM 0 HG LEU A 30 7.652 -1.297 2.596 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.607 -0.298 1.636 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.746 -0.827 0.374 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.304 -1.805 0.738 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.497 -1.457 3.783 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.186 -3.020 2.989 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.550 -2.852 4.120 1.00 0.00 H new ATOM 488 N MET A 31 8.958 -0.485 0.645 1.00 0.00 N ATOM 489 CA MET A 31 9.012 0.736 -0.144 1.00 0.00 C ATOM 490 C MET A 31 10.346 0.805 -0.865 1.00 0.00 C ATOM 491 O MET A 31 10.443 1.373 -1.953 1.00 0.00 O ATOM 492 CB MET A 31 8.834 1.998 0.709 1.00 0.00 C ATOM 493 CG MET A 31 7.410 2.239 1.173 1.00 0.00 C ATOM 494 SD MET A 31 7.200 3.848 1.965 1.00 0.00 S ATOM 495 CE MET A 31 8.400 3.747 3.287 1.00 0.00 C ATOM 0 H MET A 31 8.976 -0.345 1.655 1.00 0.00 H new ATOM 0 HA MET A 31 8.186 0.703 -0.854 1.00 0.00 H new ATOM 0 HB2 MET A 31 9.482 1.927 1.583 1.00 0.00 H new ATOM 0 HB3 MET A 31 9.168 2.862 0.134 1.00 0.00 H new ATOM 0 HG2 MET A 31 6.737 2.168 0.319 1.00 0.00 H new ATOM 0 HG3 MET A 31 7.122 1.454 1.872 1.00 0.00 H new ATOM 0 HE1 MET A 31 8.435 4.697 3.820 1.00 0.00 H new ATOM 0 HE2 MET A 31 8.114 2.954 3.978 1.00 0.00 H new ATOM 0 HE3 MET A 31 9.383 3.528 2.870 1.00 0.00 H new ATOM 505 N ALA A 32 11.382 0.218 -0.258 1.00 0.00 N ATOM 506 CA ALA A 32 12.699 0.227 -0.874 1.00 0.00 C ATOM 507 C ALA A 32 12.713 -0.622 -2.140 1.00 0.00 C ATOM 508 O ALA A 32 13.460 -0.345 -3.078 1.00 0.00 O ATOM 509 CB ALA A 32 13.749 -0.256 0.113 1.00 0.00 C ATOM 0 H ALA A 32 11.331 -0.259 0.642 1.00 0.00 H new ATOM 0 HA ALA A 32 12.938 1.252 -1.156 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.729 -0.243 -0.363 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.760 0.401 0.983 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.512 -1.272 0.428 1.00 0.00 H new ATOM 515 N ALA A 33 11.889 -1.664 -2.152 1.00 0.00 N ATOM 516 CA ALA A 33 11.807 -2.565 -3.293 1.00 0.00 C ATOM 517 C ALA A 33 11.068 -1.937 -4.467 1.00 0.00 C ATOM 518 O ALA A 33 11.436 -2.149 -5.623 1.00 0.00 O ATOM 519 CB ALA A 33 11.125 -3.852 -2.882 1.00 0.00 C ATOM 0 H ALA A 33 11.267 -1.905 -1.381 1.00 0.00 H new ATOM 0 HA ALA A 33 12.825 -2.774 -3.622 1.00 0.00 H new ATOM 0 HB1 ALA A 33 11.066 -4.523 -3.739 1.00 0.00 H new ATOM 0 HB2 ALA A 33 11.698 -4.329 -2.087 1.00 0.00 H new ATOM 0 HB3 ALA A 33 10.119 -3.632 -2.524 1.00 0.00 H new ATOM 525 N LEU A 34 10.012 -1.185 -4.164 1.00 0.00 N ATOM 526 CA LEU A 34 9.197 -0.539 -5.197 1.00 0.00 C ATOM 527 C LEU A 34 10.035 -0.087 -6.399 1.00 0.00 C ATOM 528 O LEU A 34 11.156 0.396 -6.244 1.00 0.00 O ATOM 529 CB LEU A 34 8.420 0.638 -4.602 1.00 0.00 C ATOM 530 CG LEU A 34 7.041 0.280 -4.034 1.00 0.00 C ATOM 531 CD1 LEU A 34 7.129 -0.893 -3.068 1.00 0.00 C ATOM 532 CD2 LEU A 34 6.414 1.480 -3.341 1.00 0.00 C ATOM 0 H LEU A 34 9.698 -1.006 -3.210 1.00 0.00 H new ATOM 0 HA LEU A 34 8.489 -1.281 -5.566 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.019 1.086 -3.809 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.293 1.398 -5.373 1.00 0.00 H new ATOM 0 HG LEU A 34 6.408 -0.013 -4.871 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.136 -1.122 -2.683 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.526 -1.764 -3.589 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.788 -0.634 -2.240 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.437 1.202 -2.946 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.057 1.805 -2.523 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.298 2.294 -4.057 1.00 0.00 H new ATOM 544 N PRO A 35 9.491 -0.266 -7.620 1.00 0.00 N ATOM 545 CA PRO A 35 10.178 0.095 -8.870 1.00 0.00 C ATOM 546 C PRO A 35 10.786 1.494 -8.840 1.00 0.00 C ATOM 547 O PRO A 35 11.841 1.734 -9.427 1.00 0.00 O ATOM 548 CB PRO A 35 9.061 0.028 -9.912 1.00 0.00 C ATOM 549 CG PRO A 35 8.094 -0.969 -9.373 1.00 0.00 C ATOM 550 CD PRO A 35 8.162 -0.857 -7.875 1.00 0.00 C ATOM 0 HA PRO A 35 11.021 -0.567 -9.068 1.00 0.00 H new ATOM 0 HB2 PRO A 35 8.590 1.001 -10.049 1.00 0.00 H new ATOM 0 HB3 PRO A 35 9.446 -0.280 -10.884 1.00 0.00 H new ATOM 0 HG2 PRO A 35 7.085 -0.766 -9.733 1.00 0.00 H new ATOM 0 HG3 PRO A 35 8.352 -1.976 -9.700 1.00 0.00 H new ATOM 0 HD2 PRO A 35 7.363 -0.226 -7.485 1.00 0.00 H new ATOM 0 HD3 PRO A 35 8.060 -1.831 -7.397 1.00 0.00 H new ATOM 605 N THR A 40 7.313 4.079 -5.058 1.00 0.00 N ATOM 606 CA THR A 40 6.552 4.480 -6.237 1.00 0.00 C ATOM 607 C THR A 40 5.102 4.782 -5.880 1.00 0.00 C ATOM 608 O THR A 40 4.462 4.024 -5.151 1.00 0.00 O ATOM 609 CB THR A 40 6.566 3.385 -7.325 1.00 0.00 C ATOM 610 OG1 THR A 40 5.868 3.842 -8.489 1.00 0.00 O ATOM 611 CG2 THR A 40 5.919 2.105 -6.816 1.00 0.00 C ATOM 0 HA THR A 40 7.034 5.379 -6.623 1.00 0.00 H new ATOM 0 HB THR A 40 7.604 3.174 -7.580 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.883 3.142 -9.175 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.941 1.349 -7.601 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.467 1.741 -5.946 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.885 2.307 -6.536 1.00 0.00 H new ATOM 619 N THR A 41 4.584 5.889 -6.400 1.00 0.00 N ATOM 620 CA THR A 41 3.206 6.275 -6.131 1.00 0.00 C ATOM 621 C THR A 41 2.249 5.618 -7.120 1.00 0.00 C ATOM 622 O THR A 41 2.321 5.867 -8.324 1.00 0.00 O ATOM 623 CB THR A 41 3.020 7.802 -6.212 1.00 0.00 C ATOM 624 OG1 THR A 41 4.007 8.463 -5.411 1.00 0.00 O ATOM 625 CG2 THR A 41 1.627 8.199 -5.739 1.00 0.00 C ATOM 0 H THR A 41 5.095 6.531 -7.006 1.00 0.00 H new ATOM 0 HA THR A 41 2.980 5.938 -5.119 1.00 0.00 H new ATOM 0 HB THR A 41 3.138 8.106 -7.252 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.375 9.223 -5.907 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.515 9.281 -5.804 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.878 7.719 -6.369 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.489 7.881 -4.705 1.00 0.00 H new ATOM 633 N CYS A 42 1.339 4.795 -6.608 1.00 0.00 N ATOM 634 CA CYS A 42 0.354 4.126 -7.451 1.00 0.00 C ATOM 635 C CYS A 42 -0.921 4.960 -7.516 1.00 0.00 C ATOM 636 O CYS A 42 -2.029 4.442 -7.379 1.00 0.00 O ATOM 637 CB CYS A 42 0.044 2.726 -6.914 1.00 0.00 C ATOM 638 SG CYS A 42 1.489 1.647 -6.788 1.00 0.00 S ATOM 0 H CYS A 42 1.263 4.576 -5.615 1.00 0.00 H new ATOM 0 HA CYS A 42 0.766 4.023 -8.455 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.413 2.819 -5.929 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.693 2.254 -7.564 1.00 0.00 H new ATOM 0 HG CYS A 42 1.530 1.114 -5.603 1.00 0.00 H new ATOM 644 N LYS A 43 -0.747 6.264 -7.706 1.00 0.00 N ATOM 645 CA LYS A 43 -1.867 7.193 -7.768 1.00 0.00 C ATOM 646 C LYS A 43 -2.610 7.107 -9.093 1.00 0.00 C ATOM 647 O LYS A 43 -2.020 7.258 -10.163 1.00 0.00 O ATOM 648 CB LYS A 43 -1.370 8.625 -7.559 1.00 0.00 C ATOM 649 CG LYS A 43 -0.317 9.059 -8.565 1.00 0.00 C ATOM 650 CD LYS A 43 0.133 10.489 -8.317 1.00 0.00 C ATOM 651 CE LYS A 43 1.201 10.917 -9.313 1.00 0.00 C ATOM 652 NZ LYS A 43 0.712 10.847 -10.717 1.00 0.00 N ATOM 0 H LYS A 43 0.167 6.703 -7.820 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.561 6.916 -6.975 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.218 9.307 -7.617 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.958 8.714 -6.554 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.542 8.391 -8.506 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.719 8.973 -9.574 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.724 11.159 -8.390 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.523 10.579 -7.303 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.518 11.936 -9.090 1.00 0.00 H new ATOM 0 HE3 LYS A 43 2.078 10.279 -9.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.368 11.361 -11.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.658 9.853 -11.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.232 11.278 -10.778 1.00 0.00 H new ATOM 712 N GLU A 48 -4.263 9.674 -4.863 1.00 0.00 N ATOM 713 CA GLU A 48 -2.906 9.161 -4.718 1.00 0.00 C ATOM 714 C GLU A 48 -2.786 8.264 -3.489 1.00 0.00 C ATOM 715 O GLU A 48 -3.205 8.637 -2.394 1.00 0.00 O ATOM 716 CB GLU A 48 -1.907 10.316 -4.606 1.00 0.00 C ATOM 717 CG GLU A 48 -2.037 11.355 -5.709 1.00 0.00 C ATOM 718 CD GLU A 48 -1.065 12.509 -5.543 1.00 0.00 C ATOM 719 OE1 GLU A 48 -0.290 12.497 -4.563 1.00 0.00 O ATOM 720 OE2 GLU A 48 -1.081 13.424 -6.393 1.00 0.00 O ATOM 0 HA GLU A 48 -2.678 8.570 -5.605 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.040 10.806 -3.642 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.895 9.911 -4.620 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.867 10.878 -6.674 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.056 11.742 -5.720 1.00 0.00 H new ATOM 727 N LEU A 49 -2.202 7.084 -3.681 1.00 0.00 N ATOM 728 CA LEU A 49 -2.011 6.129 -2.593 1.00 0.00 C ATOM 729 C LEU A 49 -0.659 5.440 -2.719 1.00 0.00 C ATOM 730 O LEU A 49 -0.237 5.075 -3.817 1.00 0.00 O ATOM 731 CB LEU A 49 -3.126 5.077 -2.581 1.00 0.00 C ATOM 732 CG LEU A 49 -4.510 5.582 -2.164 1.00 0.00 C ATOM 733 CD1 LEU A 49 -4.440 6.276 -0.810 1.00 0.00 C ATOM 734 CD2 LEU A 49 -5.090 6.509 -3.222 1.00 0.00 C ATOM 0 H LEU A 49 -1.851 6.765 -4.584 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.045 6.683 -1.655 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.203 4.644 -3.578 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.834 4.273 -1.906 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.175 4.723 -2.072 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.433 6.628 -0.530 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.079 5.573 -0.059 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.758 7.124 -0.871 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.073 6.855 -2.903 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.430 7.366 -3.356 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.183 5.971 -4.166 1.00 0.00 H new ATOM 746 N LYS A 50 0.019 5.269 -1.591 1.00 0.00 N ATOM 747 CA LYS A 50 1.327 4.630 -1.577 1.00 0.00 C ATOM 748 C LYS A 50 1.828 4.453 -0.151 1.00 0.00 C ATOM 749 O LYS A 50 1.445 5.196 0.748 1.00 0.00 O ATOM 750 CB LYS A 50 2.328 5.452 -2.389 1.00 0.00 C ATOM 751 CG LYS A 50 2.569 6.841 -1.823 1.00 0.00 C ATOM 752 CD LYS A 50 3.430 7.678 -2.753 1.00 0.00 C ATOM 753 CE LYS A 50 3.602 9.096 -2.231 1.00 0.00 C ATOM 754 NZ LYS A 50 4.453 9.922 -3.133 1.00 0.00 N ATOM 0 H LYS A 50 -0.316 5.564 -0.674 1.00 0.00 H new ATOM 0 HA LYS A 50 1.229 3.644 -2.031 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.276 4.916 -2.433 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.966 5.543 -3.413 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.614 7.340 -1.662 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.054 6.760 -0.850 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.408 7.210 -2.865 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.975 7.707 -3.743 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.624 9.565 -2.125 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.050 9.065 -1.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 4.150 10.915 -3.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.447 9.848 -2.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.357 9.580 -4.110 1.00 0.00 H new ATOM 768 N ALA A 51 2.680 3.457 0.049 1.00 0.00 N ATOM 769 CA ALA A 51 3.231 3.170 1.370 1.00 0.00 C ATOM 770 C ALA A 51 3.747 4.436 2.052 1.00 0.00 C ATOM 771 O ALA A 51 3.767 4.527 3.277 1.00 0.00 O ATOM 772 CB ALA A 51 4.338 2.134 1.262 1.00 0.00 C ATOM 0 H ALA A 51 3.007 2.832 -0.688 1.00 0.00 H new ATOM 0 HA ALA A 51 2.428 2.769 1.988 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.741 1.928 2.253 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.936 1.215 0.836 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.132 2.515 0.619 1.00 0.00 H new ATOM 778 N SER A 52 4.170 5.409 1.261 1.00 0.00 N ATOM 779 CA SER A 52 4.680 6.657 1.814 1.00 0.00 C ATOM 780 C SER A 52 3.557 7.491 2.432 1.00 0.00 C ATOM 781 O SER A 52 3.626 7.868 3.601 1.00 0.00 O ATOM 782 CB SER A 52 5.395 7.463 0.729 1.00 0.00 C ATOM 783 OG SER A 52 5.866 8.699 1.238 1.00 0.00 O ATOM 0 H SER A 52 4.171 5.362 0.242 1.00 0.00 H new ATOM 0 HA SER A 52 5.390 6.408 2.603 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.232 6.886 0.335 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.713 7.644 -0.102 1.00 0.00 H new ATOM 0 HG SER A 52 6.321 9.194 0.525 1.00 0.00 H new ATOM 789 N ASP A 53 2.530 7.779 1.638 1.00 0.00 N ATOM 790 CA ASP A 53 1.397 8.575 2.102 1.00 0.00 C ATOM 791 C ASP A 53 0.507 7.798 3.071 1.00 0.00 C ATOM 792 O ASP A 53 0.225 8.262 4.172 1.00 0.00 O ATOM 793 CB ASP A 53 0.567 9.050 0.908 1.00 0.00 C ATOM 794 CG ASP A 53 1.354 9.947 -0.028 1.00 0.00 C ATOM 795 OD1 ASP A 53 2.545 10.199 0.255 1.00 0.00 O ATOM 796 OD2 ASP A 53 0.782 10.398 -1.042 1.00 0.00 O ATOM 0 H ASP A 53 2.459 7.472 0.668 1.00 0.00 H new ATOM 0 HA ASP A 53 1.801 9.434 2.638 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.203 8.184 0.355 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.309 9.588 1.270 1.00 0.00 H new ATOM 801 N ALA A 54 0.051 6.625 2.642 1.00 0.00 N ATOM 802 CA ALA A 54 -0.828 5.793 3.459 1.00 0.00 C ATOM 803 C ALA A 54 -0.056 4.951 4.473 1.00 0.00 C ATOM 804 O ALA A 54 -0.470 4.824 5.625 1.00 0.00 O ATOM 805 CB ALA A 54 -1.673 4.897 2.567 1.00 0.00 C ATOM 0 H ALA A 54 0.276 6.228 1.730 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.475 6.463 4.025 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.326 4.280 3.185 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.279 5.513 1.902 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.021 4.255 1.974 1.00 0.00 H new ATOM 811 N GLY A 55 1.057 4.363 4.037 1.00 0.00 N ATOM 812 CA GLY A 55 1.856 3.525 4.924 1.00 0.00 C ATOM 813 C GLY A 55 2.072 4.133 6.300 1.00 0.00 C ATOM 814 O GLY A 55 2.288 3.411 7.272 1.00 0.00 O ATOM 0 H GLY A 55 1.421 4.450 3.088 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.366 2.558 5.036 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.825 3.340 4.461 1.00 0.00 H new ATOM 818 N GLN A 56 2.015 5.463 6.385 1.00 0.00 N ATOM 819 CA GLN A 56 2.205 6.168 7.655 1.00 0.00 C ATOM 820 C GLN A 56 1.491 5.461 8.801 1.00 0.00 C ATOM 821 O GLN A 56 1.975 5.434 9.932 1.00 0.00 O ATOM 822 CB GLN A 56 1.668 7.596 7.554 1.00 0.00 C ATOM 823 CG GLN A 56 0.212 7.672 7.130 1.00 0.00 C ATOM 824 CD GLN A 56 -0.339 9.085 7.188 1.00 0.00 C ATOM 825 OE1 GLN A 56 -0.322 9.726 8.239 1.00 0.00 O ATOM 826 NE2 GLN A 56 -0.834 9.578 6.059 1.00 0.00 N ATOM 0 H GLN A 56 1.839 6.075 5.588 1.00 0.00 H new ATOM 0 HA GLN A 56 3.276 6.181 7.859 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.782 8.087 8.521 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.275 8.153 6.840 1.00 0.00 H new ATOM 0 HG2 GLN A 56 0.112 7.288 6.115 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -0.385 7.026 7.775 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -0.829 9.013 5.210 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -1.220 10.522 6.041 1.00 0.00 H new ATOM 835 N VAL A 57 0.325 4.912 8.497 1.00 0.00 N ATOM 836 CA VAL A 57 -0.487 4.225 9.488 1.00 0.00 C ATOM 837 C VAL A 57 0.190 2.959 10.009 1.00 0.00 C ATOM 838 O VAL A 57 0.031 2.603 11.177 1.00 0.00 O ATOM 839 CB VAL A 57 -1.866 3.886 8.900 1.00 0.00 C ATOM 840 CG1 VAL A 57 -2.572 5.166 8.475 1.00 0.00 C ATOM 841 CG2 VAL A 57 -1.727 2.931 7.724 1.00 0.00 C ATOM 0 H VAL A 57 -0.083 4.930 7.562 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.609 4.900 10.335 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.465 3.391 9.664 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.549 4.921 8.059 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.699 5.816 9.341 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.974 5.678 7.721 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.714 2.703 7.322 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.117 3.395 6.949 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.250 2.010 8.058 1.00 0.00 H new ATOM 851 N LEU A 58 0.949 2.281 9.151 1.00 0.00 N ATOM 852 CA LEU A 58 1.643 1.063 9.559 1.00 0.00 C ATOM 853 C LEU A 58 2.760 1.397 10.548 1.00 0.00 C ATOM 854 O LEU A 58 3.679 2.149 10.227 1.00 0.00 O ATOM 855 CB LEU A 58 2.222 0.340 8.340 1.00 0.00 C ATOM 856 CG LEU A 58 1.250 0.162 7.170 1.00 0.00 C ATOM 857 CD1 LEU A 58 1.934 -0.542 6.006 1.00 0.00 C ATOM 858 CD2 LEU A 58 0.014 -0.608 7.614 1.00 0.00 C ATOM 0 H LEU A 58 1.098 2.551 8.179 1.00 0.00 H new ATOM 0 HA LEU A 58 0.924 0.404 10.046 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.093 0.893 7.988 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.574 -0.643 8.653 1.00 0.00 H new ATOM 0 HG LEU A 58 0.935 1.149 6.833 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.227 -0.659 5.185 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.784 0.052 5.671 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.281 -1.524 6.328 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.665 -0.725 6.769 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.310 -1.591 7.980 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.489 -0.060 8.411 1.00 0.00 H new ATOM 870 N THR A 59 2.669 0.837 11.750 1.00 0.00 N ATOM 871 CA THR A 59 3.666 1.080 12.789 1.00 0.00 C ATOM 872 C THR A 59 4.858 0.133 12.661 1.00 0.00 C ATOM 873 O THR A 59 4.945 -0.650 11.716 1.00 0.00 O ATOM 874 CB THR A 59 3.050 0.928 14.191 1.00 0.00 C ATOM 875 OG1 THR A 59 2.507 -0.388 14.345 1.00 0.00 O ATOM 876 CG2 THR A 59 1.957 1.961 14.417 1.00 0.00 C ATOM 0 H THR A 59 1.914 0.211 12.030 1.00 0.00 H new ATOM 0 HA THR A 59 4.016 2.104 12.655 1.00 0.00 H new ATOM 0 HB THR A 59 3.836 1.087 14.929 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.382 -0.581 15.298 1.00 0.00 H new ATOM 0 HG21 THR A 59 1.537 1.834 15.415 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.378 2.962 14.326 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.172 1.829 13.673 1.00 0.00 H new ATOM 884 N ALA A 60 5.776 0.214 13.624 1.00 0.00 N ATOM 885 CA ALA A 60 6.967 -0.631 13.632 1.00 0.00 C ATOM 886 C ALA A 60 6.605 -2.096 13.847 1.00 0.00 C ATOM 887 O ALA A 60 7.139 -2.979 13.176 1.00 0.00 O ATOM 888 CB ALA A 60 7.937 -0.162 14.706 1.00 0.00 C ATOM 0 H ALA A 60 5.716 0.860 14.411 1.00 0.00 H new ATOM 0 HA ALA A 60 7.448 -0.545 12.658 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.821 -0.800 14.702 1.00 0.00 H new ATOM 0 HB2 ALA A 60 8.232 0.868 14.505 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.454 -0.217 15.682 1.00 0.00 H new ATOM 894 N ASP A 61 5.692 -2.351 14.782 1.00 0.00 N ATOM 895 CA ASP A 61 5.256 -3.703 15.080 1.00 0.00 C ATOM 896 C ASP A 61 4.841 -4.432 13.806 1.00 0.00 C ATOM 897 O ASP A 61 4.913 -5.658 13.727 1.00 0.00 O ATOM 898 CB ASP A 61 4.101 -3.662 16.074 1.00 0.00 C ATOM 899 CG ASP A 61 2.911 -2.879 15.556 1.00 0.00 C ATOM 900 OD1 ASP A 61 2.394 -3.229 14.474 1.00 0.00 O ATOM 901 OD2 ASP A 61 2.492 -1.920 16.237 1.00 0.00 O ATOM 0 H ASP A 61 5.241 -1.631 15.346 1.00 0.00 H new ATOM 0 HA ASP A 61 6.088 -4.251 15.523 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.788 -4.681 16.304 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.446 -3.216 17.007 1.00 0.00 H new ATOM 906 N ASP A 62 4.413 -3.662 12.808 1.00 0.00 N ATOM 907 CA ASP A 62 3.993 -4.215 11.525 1.00 0.00 C ATOM 908 C ASP A 62 5.186 -4.699 10.700 1.00 0.00 C ATOM 909 O ASP A 62 5.018 -5.114 9.553 1.00 0.00 O ATOM 910 CB ASP A 62 3.218 -3.164 10.727 1.00 0.00 C ATOM 911 CG ASP A 62 1.941 -2.739 11.426 1.00 0.00 C ATOM 912 OD1 ASP A 62 1.075 -3.606 11.660 1.00 0.00 O ATOM 913 OD2 ASP A 62 1.808 -1.537 11.738 1.00 0.00 O ATOM 0 H ASP A 62 4.348 -2.646 12.866 1.00 0.00 H new ATOM 0 HA ASP A 62 3.351 -5.071 11.732 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.851 -2.291 10.569 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.975 -3.564 9.743 1.00 0.00 H new ATOM 918 N PHE A 63 6.394 -4.628 11.271 1.00 0.00 N ATOM 919 CA PHE A 63 7.601 -5.044 10.560 1.00 0.00 C ATOM 920 C PHE A 63 7.369 -6.345 9.795 1.00 0.00 C ATOM 921 O PHE A 63 7.630 -6.412 8.601 1.00 0.00 O ATOM 922 CB PHE A 63 8.771 -5.216 11.527 1.00 0.00 C ATOM 923 CG PHE A 63 10.081 -4.758 10.957 1.00 0.00 C ATOM 924 CD1 PHE A 63 10.336 -3.407 10.782 1.00 0.00 C ATOM 925 CD2 PHE A 63 11.052 -5.675 10.590 1.00 0.00 C ATOM 926 CE1 PHE A 63 11.538 -2.980 10.253 1.00 0.00 C ATOM 927 CE2 PHE A 63 12.256 -5.253 10.061 1.00 0.00 C ATOM 928 CZ PHE A 63 12.500 -3.904 9.892 1.00 0.00 C ATOM 0 H PHE A 63 6.558 -4.288 12.219 1.00 0.00 H new ATOM 0 HA PHE A 63 7.846 -4.258 9.845 1.00 0.00 H new ATOM 0 HB2 PHE A 63 8.564 -4.658 12.440 1.00 0.00 H new ATOM 0 HB3 PHE A 63 8.851 -6.266 11.807 1.00 0.00 H new ATOM 0 HD1 PHE A 63 9.587 -2.681 11.062 1.00 0.00 H new ATOM 0 HD2 PHE A 63 10.866 -6.731 10.719 1.00 0.00 H new ATOM 0 HE1 PHE A 63 11.726 -1.925 10.122 1.00 0.00 H new ATOM 0 HE2 PHE A 63 13.006 -5.977 9.780 1.00 0.00 H new ATOM 0 HZ PHE A 63 13.441 -3.572 9.479 1.00 0.00 H new ATOM 938 N PRO A 64 6.859 -7.390 10.474 1.00 0.00 N ATOM 939 CA PRO A 64 6.569 -8.679 9.856 1.00 0.00 C ATOM 940 C PRO A 64 5.148 -8.720 9.309 1.00 0.00 C ATOM 941 O PRO A 64 4.245 -9.278 9.933 1.00 0.00 O ATOM 942 CB PRO A 64 6.733 -9.643 11.023 1.00 0.00 C ATOM 943 CG PRO A 64 6.300 -8.863 12.225 1.00 0.00 C ATOM 944 CD PRO A 64 6.497 -7.396 11.902 1.00 0.00 C ATOM 0 HA PRO A 64 7.210 -8.908 9.005 1.00 0.00 H new ATOM 0 HB2 PRO A 64 6.121 -10.535 10.889 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.766 -9.977 11.119 1.00 0.00 H new ATOM 0 HG2 PRO A 64 5.256 -9.068 12.461 1.00 0.00 H new ATOM 0 HG3 PRO A 64 6.886 -9.147 13.099 1.00 0.00 H new ATOM 0 HD2 PRO A 64 5.589 -6.822 12.086 1.00 0.00 H new ATOM 0 HD3 PRO A 64 7.283 -6.955 12.515 1.00 0.00 H new ATOM 952 N PHE A 65 4.955 -8.101 8.154 1.00 0.00 N ATOM 953 CA PHE A 65 3.645 -8.031 7.530 1.00 0.00 C ATOM 954 C PHE A 65 3.259 -9.342 6.855 1.00 0.00 C ATOM 955 O PHE A 65 4.093 -10.025 6.263 1.00 0.00 O ATOM 956 CB PHE A 65 3.617 -6.903 6.505 1.00 0.00 C ATOM 957 CG PHE A 65 2.672 -5.800 6.867 1.00 0.00 C ATOM 958 CD1 PHE A 65 1.309 -6.021 6.974 1.00 0.00 C ATOM 959 CD2 PHE A 65 3.164 -4.541 7.114 1.00 0.00 C ATOM 960 CE1 PHE A 65 0.458 -4.988 7.319 1.00 0.00 C ATOM 961 CE2 PHE A 65 2.327 -3.506 7.463 1.00 0.00 C ATOM 962 CZ PHE A 65 0.875 -3.790 7.509 1.00 0.00 C ATOM 0 H PHE A 65 5.696 -7.637 7.628 1.00 0.00 H new ATOM 0 HA PHE A 65 2.919 -7.837 8.320 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.621 -6.492 6.399 1.00 0.00 H new ATOM 0 HB3 PHE A 65 3.335 -7.310 5.534 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.909 -7.006 6.787 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.226 -4.361 7.033 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.595 -5.197 7.433 1.00 0.00 H new ATOM 0 HE2 PHE A 65 2.714 -2.525 7.694 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.171 -2.994 7.701 1.00 0.00 H new ATOM 972 N LYS A 66 1.975 -9.674 6.950 1.00 0.00 N ATOM 973 CA LYS A 66 1.440 -10.891 6.355 1.00 0.00 C ATOM 974 C LYS A 66 1.433 -10.801 4.827 1.00 0.00 C ATOM 975 O LYS A 66 0.378 -10.798 4.177 1.00 0.00 O ATOM 976 CB LYS A 66 0.035 -11.163 6.886 1.00 0.00 C ATOM 977 CG LYS A 66 -0.592 -12.436 6.340 1.00 0.00 C ATOM 978 CD LYS A 66 0.240 -13.660 6.687 1.00 0.00 C ATOM 979 CE LYS A 66 -0.389 -14.933 6.147 1.00 0.00 C ATOM 980 NZ LYS A 66 -1.754 -15.157 6.699 1.00 0.00 N ATOM 0 H LYS A 66 1.281 -9.109 7.439 1.00 0.00 H new ATOM 0 HA LYS A 66 2.087 -11.722 6.636 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.074 -11.226 7.974 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.607 -10.318 6.638 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.597 -12.551 6.746 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.692 -12.358 5.257 1.00 0.00 H new ATOM 0 HD2 LYS A 66 1.244 -13.547 6.277 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.344 -13.735 7.769 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.442 -14.879 5.060 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.246 -15.784 6.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.059 -16.128 6.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.739 -15.016 7.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.418 -14.483 6.267 1.00 0.00 H new ATOM 994 N SER A 67 2.625 -10.736 4.258 1.00 0.00 N ATOM 995 CA SER A 67 2.782 -10.667 2.817 1.00 0.00 C ATOM 996 C SER A 67 2.182 -9.397 2.221 1.00 0.00 C ATOM 997 O SER A 67 1.338 -8.741 2.830 1.00 0.00 O ATOM 998 CB SER A 67 2.155 -11.895 2.163 1.00 0.00 C ATOM 999 OG SER A 67 2.762 -13.088 2.627 1.00 0.00 O ATOM 0 H SER A 67 3.503 -10.730 4.777 1.00 0.00 H new ATOM 0 HA SER A 67 3.852 -10.644 2.613 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.087 -11.920 2.378 1.00 0.00 H new ATOM 0 HB3 SER A 67 2.260 -11.827 1.080 1.00 0.00 H new ATOM 0 HG SER A 67 2.341 -13.859 2.194 1.00 0.00 H new ATOM 1005 N ALA A 68 2.639 -9.068 1.015 1.00 0.00 N ATOM 1006 CA ALA A 68 2.180 -7.887 0.293 1.00 0.00 C ATOM 1007 C ALA A 68 0.660 -7.831 0.201 1.00 0.00 C ATOM 1008 O ALA A 68 0.079 -6.750 0.108 1.00 0.00 O ATOM 1009 CB ALA A 68 2.800 -7.860 -1.094 1.00 0.00 C ATOM 0 H ALA A 68 3.338 -9.614 0.512 1.00 0.00 H new ATOM 0 HA ALA A 68 2.500 -7.007 0.850 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.454 -6.976 -1.630 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.886 -7.830 -1.007 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.505 -8.755 -1.642 1.00 0.00 H new ATOM 1015 N GLU A 69 0.019 -8.990 0.234 1.00 0.00 N ATOM 1016 CA GLU A 69 -1.434 -9.049 0.163 1.00 0.00 C ATOM 1017 C GLU A 69 -2.037 -8.402 1.398 1.00 0.00 C ATOM 1018 O GLU A 69 -3.044 -7.697 1.319 1.00 0.00 O ATOM 1019 CB GLU A 69 -1.911 -10.496 0.032 1.00 0.00 C ATOM 1020 CG GLU A 69 -1.432 -11.392 1.150 1.00 0.00 C ATOM 1021 CD GLU A 69 -1.842 -12.839 0.957 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -1.447 -13.437 -0.066 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -2.558 -13.374 1.829 1.00 0.00 O ATOM 0 H GLU A 69 0.478 -9.898 0.309 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.763 -8.503 -0.721 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.001 -10.510 0.007 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.565 -10.899 -0.920 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.346 -11.332 1.218 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.831 -11.029 2.097 1.00 0.00 H new ATOM 1030 N GLU A 70 -1.400 -8.635 2.539 1.00 0.00 N ATOM 1031 CA GLU A 70 -1.847 -8.074 3.793 1.00 0.00 C ATOM 1032 C GLU A 70 -1.664 -6.564 3.809 1.00 0.00 C ATOM 1033 O GLU A 70 -2.558 -5.817 4.207 1.00 0.00 O ATOM 1034 CB GLU A 70 -1.041 -8.722 4.910 1.00 0.00 C ATOM 1035 CG GLU A 70 -1.045 -7.961 6.211 1.00 0.00 C ATOM 1036 CD GLU A 70 -2.400 -7.954 6.889 1.00 0.00 C ATOM 1037 OE1 GLU A 70 -2.914 -9.046 7.204 1.00 0.00 O ATOM 1038 OE2 GLU A 70 -2.950 -6.852 7.105 1.00 0.00 O ATOM 0 H GLU A 70 -0.565 -9.216 2.614 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.910 -8.272 3.930 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.433 -9.723 5.089 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.010 -8.838 4.576 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.310 -8.401 6.885 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.732 -6.933 6.025 1.00 0.00 H new ATOM 1045 N VAL A 71 -0.491 -6.131 3.381 1.00 0.00 N ATOM 1046 CA VAL A 71 -0.158 -4.713 3.348 1.00 0.00 C ATOM 1047 C VAL A 71 -1.033 -3.958 2.362 1.00 0.00 C ATOM 1048 O VAL A 71 -1.520 -2.871 2.660 1.00 0.00 O ATOM 1049 CB VAL A 71 1.320 -4.514 3.001 1.00 0.00 C ATOM 1050 CG1 VAL A 71 1.697 -3.039 3.041 1.00 0.00 C ATOM 1051 CG2 VAL A 71 2.170 -5.326 3.961 1.00 0.00 C ATOM 0 H VAL A 71 0.253 -6.744 3.049 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.345 -4.309 4.343 1.00 0.00 H new ATOM 0 HB VAL A 71 1.501 -4.863 1.984 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.752 -2.926 2.791 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.092 -2.489 2.320 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.517 -2.644 4.041 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.224 -5.189 3.719 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.985 -4.992 4.982 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.912 -6.381 3.872 1.00 0.00 H new ATOM 1061 N ALA A 72 -1.243 -4.539 1.188 1.00 0.00 N ATOM 1062 CA ALA A 72 -2.075 -3.905 0.179 1.00 0.00 C ATOM 1063 C ALA A 72 -3.457 -3.610 0.745 1.00 0.00 C ATOM 1064 O ALA A 72 -3.992 -2.515 0.572 1.00 0.00 O ATOM 1065 CB ALA A 72 -2.181 -4.787 -1.055 1.00 0.00 C ATOM 0 H ALA A 72 -0.852 -5.440 0.914 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.611 -2.963 -0.113 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.808 -4.297 -1.800 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.187 -4.953 -1.470 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.625 -5.744 -0.781 1.00 0.00 H new ATOM 1071 N ASP A 73 -4.018 -4.596 1.436 1.00 0.00 N ATOM 1072 CA ASP A 73 -5.334 -4.458 2.048 1.00 0.00 C ATOM 1073 C ASP A 73 -5.291 -3.495 3.233 1.00 0.00 C ATOM 1074 O ASP A 73 -6.208 -2.703 3.435 1.00 0.00 O ATOM 1075 CB ASP A 73 -5.842 -5.827 2.508 1.00 0.00 C ATOM 1076 CG ASP A 73 -6.017 -6.801 1.357 1.00 0.00 C ATOM 1077 OD1 ASP A 73 -5.741 -6.410 0.204 1.00 0.00 O ATOM 1078 OD2 ASP A 73 -6.430 -7.952 1.610 1.00 0.00 O ATOM 0 H ASP A 73 -3.579 -5.504 1.587 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.015 -4.050 1.301 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.142 -6.246 3.231 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -6.795 -5.703 3.022 1.00 0.00 H new ATOM 1083 N THR A 74 -4.226 -3.584 4.021 1.00 0.00 N ATOM 1084 CA THR A 74 -4.065 -2.735 5.199 1.00 0.00 C ATOM 1085 C THR A 74 -3.969 -1.254 4.831 1.00 0.00 C ATOM 1086 O THR A 74 -4.663 -0.417 5.410 1.00 0.00 O ATOM 1087 CB THR A 74 -2.809 -3.134 5.999 1.00 0.00 C ATOM 1088 OG1 THR A 74 -2.877 -4.518 6.357 1.00 0.00 O ATOM 1089 CG2 THR A 74 -2.670 -2.292 7.259 1.00 0.00 C ATOM 0 H THR A 74 -3.458 -4.237 3.866 1.00 0.00 H new ATOM 0 HA THR A 74 -4.954 -2.884 5.811 1.00 0.00 H new ATOM 0 HB THR A 74 -1.938 -2.959 5.367 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.414 -5.054 5.680 1.00 0.00 H new ATOM 0 HG21 THR A 74 -1.776 -2.596 7.803 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.589 -1.240 6.986 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.546 -2.437 7.892 1.00 0.00 H new ATOM 1097 N ILE A 75 -3.096 -0.934 3.882 1.00 0.00 N ATOM 1098 CA ILE A 75 -2.898 0.446 3.456 1.00 0.00 C ATOM 1099 C ILE A 75 -4.177 1.047 2.875 1.00 0.00 C ATOM 1100 O ILE A 75 -4.610 2.120 3.292 1.00 0.00 O ATOM 1101 CB ILE A 75 -1.763 0.540 2.413 1.00 0.00 C ATOM 1102 CG1 ILE A 75 -0.457 0.010 3.007 1.00 0.00 C ATOM 1103 CG2 ILE A 75 -1.577 1.974 1.932 1.00 0.00 C ATOM 1104 CD1 ILE A 75 0.703 0.032 2.036 1.00 0.00 C ATOM 0 H ILE A 75 -2.513 -1.613 3.393 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.622 1.018 4.342 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.039 -0.072 1.555 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.198 0.605 3.883 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.613 -1.013 3.351 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.772 2.010 1.199 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -2.501 2.327 1.474 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.325 2.612 2.779 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.595 -0.358 2.526 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.465 -0.586 1.171 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.886 1.056 1.711 1.00 0.00 H new ATOM 1116 N VAL A 76 -4.773 0.357 1.910 1.00 0.00 N ATOM 1117 CA VAL A 76 -5.995 0.839 1.275 1.00 0.00 C ATOM 1118 C VAL A 76 -7.124 1.043 2.284 1.00 0.00 C ATOM 1119 O VAL A 76 -7.891 2.000 2.177 1.00 0.00 O ATOM 1120 CB VAL A 76 -6.468 -0.110 0.155 1.00 0.00 C ATOM 1121 CG1 VAL A 76 -5.570 0.018 -1.063 1.00 0.00 C ATOM 1122 CG2 VAL A 76 -6.509 -1.551 0.644 1.00 0.00 C ATOM 0 H VAL A 76 -4.432 -0.535 1.551 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.747 1.805 0.835 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.480 0.177 -0.130 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.918 -0.658 -1.844 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.600 1.043 -1.431 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.547 -0.239 -0.789 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.846 -2.200 -0.164 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.512 -1.856 0.963 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.199 -1.631 1.484 1.00 0.00 H new ATOM 1132 N ASN A 77 -7.228 0.144 3.257 1.00 0.00 N ATOM 1133 CA ASN A 77 -8.276 0.242 4.272 1.00 0.00 C ATOM 1134 C ASN A 77 -8.144 1.521 5.098 1.00 0.00 C ATOM 1135 O ASN A 77 -9.078 2.319 5.176 1.00 0.00 O ATOM 1136 CB ASN A 77 -8.236 -0.977 5.200 1.00 0.00 C ATOM 1137 CG ASN A 77 -8.621 -2.282 4.515 1.00 0.00 C ATOM 1138 OD1 ASN A 77 -8.631 -3.338 5.148 1.00 0.00 O ATOM 1139 ND2 ASN A 77 -8.942 -2.230 3.222 1.00 0.00 N ATOM 0 H ASN A 77 -6.605 -0.656 3.366 1.00 0.00 H new ATOM 0 HA ASN A 77 -9.233 0.271 3.751 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -7.232 -1.076 5.612 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -8.910 -0.805 6.040 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -9.206 -3.082 2.727 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -8.923 -1.338 2.727 1.00 0.00 H new ATOM 1146 N LYS A 78 -6.985 1.706 5.719 1.00 0.00 N ATOM 1147 CA LYS A 78 -6.734 2.880 6.547 1.00 0.00 C ATOM 1148 C LYS A 78 -6.629 4.149 5.710 1.00 0.00 C ATOM 1149 O LYS A 78 -7.092 5.214 6.119 1.00 0.00 O ATOM 1150 CB LYS A 78 -5.448 2.686 7.342 1.00 0.00 C ATOM 1151 CG LYS A 78 -5.505 1.510 8.304 1.00 0.00 C ATOM 1152 CD LYS A 78 -4.225 1.387 9.114 1.00 0.00 C ATOM 1153 CE LYS A 78 -4.299 0.233 10.101 1.00 0.00 C ATOM 1154 NZ LYS A 78 -4.538 -1.069 9.418 1.00 0.00 N ATOM 0 H LYS A 78 -6.201 1.055 5.664 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.579 2.994 7.226 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.620 2.539 6.649 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.236 3.596 7.904 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.353 1.632 8.978 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.672 0.589 7.745 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.380 1.238 8.441 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -4.043 2.317 9.653 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.369 0.180 10.668 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -5.099 0.419 10.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.434 -1.477 9.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.589 -0.918 8.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.758 -1.722 9.634 1.00 0.00 H new ATOM 1168 N ALA A 79 -5.998 4.033 4.551 1.00 0.00 N ATOM 1169 CA ALA A 79 -5.807 5.181 3.670 1.00 0.00 C ATOM 1170 C ALA A 79 -7.129 5.692 3.101 1.00 0.00 C ATOM 1171 O ALA A 79 -7.269 6.884 2.829 1.00 0.00 O ATOM 1172 CB ALA A 79 -4.857 4.821 2.539 1.00 0.00 C ATOM 0 H ALA A 79 -5.609 3.159 4.197 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.374 5.983 4.268 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.722 5.685 1.888 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.893 4.525 2.954 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.274 3.995 1.963 1.00 0.00 H new ATOM 1178 N GLY A 80 -8.099 4.799 2.928 1.00 0.00 N ATOM 1179 CA GLY A 80 -9.385 5.217 2.398 1.00 0.00 C ATOM 1180 C GLY A 80 -10.134 4.104 1.698 1.00 0.00 C ATOM 1181 O GLY A 80 -11.281 3.806 2.030 1.00 0.00 O ATOM 0 H GLY A 80 -8.020 3.805 3.142 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.998 5.602 3.213 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.232 6.039 1.698 1.00 0.00 H new ATOM 1185 N LEU A 81 -9.483 3.508 0.713 1.00 0.00 N ATOM 1186 CA LEU A 81 -10.078 2.436 -0.070 1.00 0.00 C ATOM 1187 C LEU A 81 -10.287 1.182 0.774 1.00 0.00 C ATOM 1188 O LEU A 81 -11.389 1.031 1.343 1.00 0.00 O ATOM 1189 CB LEU A 81 -9.181 2.140 -1.268 1.00 0.00 C ATOM 1190 CG LEU A 81 -8.799 3.377 -2.085 1.00 0.00 C ATOM 1191 CD1 LEU A 81 -7.650 3.061 -3.031 1.00 0.00 C ATOM 1192 CD2 LEU A 81 -10.001 3.892 -2.862 1.00 0.00 C ATOM 1193 OXT LEU A 81 -9.353 0.361 0.857 1.00 0.00 O ATOM 0 H LEU A 81 -8.533 3.751 0.434 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.060 2.754 -0.420 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.270 1.656 -0.915 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.688 1.429 -1.921 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.472 4.156 -1.396 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.394 3.953 -3.603 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.783 2.737 -2.455 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.949 2.266 -3.714 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.713 4.772 -3.438 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.356 3.116 -3.540 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.797 4.158 -2.167 1.00 0.00 H new